A0A087Y829_POEFO Loading...

TM2 domain-containing protein 3

AlphaFold DB , UniProt , Accession A0A087Y829, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 261 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39Very low32Very low257 Ų257158.7 Ų158.7100%1.26685%0.849SS**  0106.90-82141126.900107.6
2G32.9Very low32.5Very low81 Ų81165.3 Ų165.384%0.83585%0.853SS**  trans-156.3112.6179.300000107.6
3T31.6Very low32.4Very low137 Ų137158.2 Ų158.284%0.8485%0.846SS**  trans-87.9158.2-165.5370000113.8
4S30.5Very low32.8Very low102 Ų102164.3 Ų164.371%0.71385%0.851SS**  trans70.6100.3153.5-78.20000119.7
5C29.4Very low33.5Very low126 Ų126161.5 Ų161.585%0.85185%0.851SS**PPolyproline II helixtrans-79.9120.4151.5-168.80000108.6
6H33.9Very low34.2Very low168 Ų168159.4 Ų159.478%0.77885%0.852SS**PPolyproline II helixtrans-98.3117.1164.4-93.8-85.7000109.6
7I32.1Very low34.7Very low154 Ų154160.1 Ų160.179%0.7985%0.846SS**PPolyproline II helixtrans-66.9132.7171.1-123.6155.7000108.6
8W25.6Very low35.3Very low239 Ų239159.4 Ų159.491%0.90584%0.837SS**  trans-120.3115.9162.5-113.486000107.7
9R31.3Very low36.2Very low221 Ų221162.1 Ų162.183%0.83484%0.836SS**  trans-82.4139.8170.4-109.2-150.3-165.8-168.38.1109
10P34.4Very low36.8Very low116 Ų116156 Ų15675%0.75382%0.815SS**  trans-87.1142.7177.434.4-30.7000110.6
11D31.2Very low37.8Very low145 Ų145152.6 Ų152.678%0.77580%0.797SS**  trans-111.6149.9159.6-143.4-18.4000111.2
12R37.8Very low38.7Very low237 Ų237147.4 Ų147.489%0.89477%0.768SS**  trans-64.8142.2-162.3-80.7167.7-92-162.7-11.1114
13G31.2Very low40.1Very low74 Ų74147.6 Ų147.676%0.76375%0.753SS**  trans177.399.5158.100000115.9
14R39.1Very low41.5Very low243 Ų243146.1 Ų146.192%0.91774%0.739SS**  trans90.185.1151.4-118.2166.2-77.1-129.1-0.5118.5C16R14-C16 PolarHBondContact O-N 3.38Å
15S43.3Very low42.9Very low122 Ų122146.4 Ų146.485%0.85373%0.731SS**THydrogen-bonded Turntrans-48.4100.2158.1-172.50000112.8
16C44.6Very low44.5Very low128 Ų128146.9 Ų146.987%0.86572%0.719SS**THydrogen-bonded Turntrans175.23.2155.4-101.40000114.3R14R14-C16 PolarHBondContact O-N 3.38Å
17K41.4Very low45.6Very low171 Ų171144.5 Ų144.574%0.74371%0.71SS**SBendtrans-103-14.5178.8-88.8-178.4170.1-179.70115.8I21K17-I21 HydrophobicContact CB-CD1 4.43Å; K17-I21 WeakPolarHBondContact O-CD1 3.33Å; K17-I21 WeakPolarHBondContact O-CG1 3.46Å; K17-I21 PolarHBondContact O-N 3.16Å
18H45.6Very low46.7Very low149 Ų149141 Ų14169%0.6969%0.693SS**Hα-helixtrans-75.3-32.6-171.2-93.4-69.4000114.9F22H18-F22 PolarHBondContact O-N 2.85Å; H18-F22 VanDerWaalsContact O-N 3.11Å
19Y53Low48.1Very low209 Ų209135 Ų13582%0.8268%0.678SS**Hα-helixtrans-70.2-37.3177.7-93-88.3000112.3V23Y19-V23 VanDerWaalsContact O-CG2 3.28Å; Y19-V23 WeakPolarHBondContact O-CG2 3.43Å; Y19-V23 PolarHBondContact O-N 3.35Å; Y19-V23 VanDerWaalsContact O-N 3.14Å
20G47.7Very low49.2Very low41 Ų41128 Ų12842%0.42366%0.659SS.*Hα-helixtrans-66.3-40.3175.700000112.8V23 I24G20-V23 PolarHBondContact O-N 3.04Å; G20-I24 WeakPolarHBondContact O-CB 3.11Å; G20-I24 WeakPolarHBondContact O-CD1 3.29Å; G20-I24 WeakPolarHBondContact O-CG1 3Å; G20-I24 PolarHBondContact O-N 3.01Å
21I59Low50.1Low85 Ų85128 Ų12844%0.43665%0.653SS.*Hα-helixtrans-70-38.3179.6-66.4166.2000111.2K17 I24 L25K17-I21 HydrophobicContact CB-CD1 4.43Å; K17-I21 WeakPolarHBondContact O-CD1 3.33Å; K17-I21 WeakPolarHBondContact O-CG1 3.46Å; K17-I21 PolarHBondContact O-N 3.16Å; I21-I24 PolarHBondContact O-N 2.95Å; I21-L25 HydrophobicContact CG2-CD1 3.67Å; I21-L25 HydrophobicContact CG2-CG 4.18Å; I21-L25 VanDerWaalsContact O-CB 3.3Å; I21-L25 WeakPolarHBondContact O-CB 3.41Å; I21-L25 WeakPolarHBondContact O-CG 3.41Å; I21-L25 PolarHBondContact O-N 3.46Å
22F56.7Low50.9Low148 Ų148127.9 Ų127.965%0.64965%0.648SS**Hα-helixtrans-66.9-38.6176.3-110.5-88.7000112.6H18 F26H18-F22 PolarHBondContact O-N 2.85Å; H18-F22 VanDerWaalsContact O-N 3.11Å; F22-F26 VanDerWaalsContact O-CB 3.22Å; F22-F26 WeakPolarHBondContact O-CB 3.32Å; F22-F26 PolarHBondContact O-N 2.94Å
23V63.2Low51.3Low85 Ų85120.3 Ų120.352%0.51563%0.63SS.*Hα-helixtrans-69.5-39.5177.3173.10000111.2Y19 G20 F26 M27Y19-V23 VanDerWaalsContact O-CG2 3.28Å; Y19-V23 WeakPolarHBondContact O-CG2 3.43Å; Y19-V23 PolarHBondContact O-N 3.35Å; Y19-V23 VanDerWaalsContact O-N 3.14Å; G20-V23 PolarHBondContact O-N 3.04Å; V23-F26 PolarHBondContact O-N 2.96Å; V23-M27 WeakPolarHBondContact O-CB 3.36Å; V23-M27 VanDerWaalsContact O-CG 3.26Å; V23-M27 WeakPolarHBondContact O-CG 3.43Å; V23-M27 PolarHBondContact O-N 2.05Å
24I61.6Low52.1Low106 Ų106121.3 Ų121.354%0.54462%0.621SS.*Hα-helixtrans-67.8-45.5176.6-67.2166.6000110.8G20 I21 F26 M27 D28G20-I24 WeakPolarHBondContact O-CB 3.11Å; G20-I24 WeakPolarHBondContact O-CD1 3.29Å; G20-I24 WeakPolarHBondContact O-CG1 3Å; G20-I24 PolarHBondContact O-N 3.01Å; I21-I24 PolarHBondContact O-N 2.95Å; I24-F26 VanDerWaalsContact C-N 3.3Å; I24-F26 PolarHBondContact O-N 3.43Å; I24-M27 PolarHBondContact O-N 3.41Å; I24-D28 WeakPolarHBondContact O-CB 3.05Å; I24-D28 PolarHBondContact O-N 3.14Å
25L59.1Low52.3Low107 Ų107116.7 Ų116.756%0.5661%0.614SS**Hα-helixtrans-64.4-34177.2-71.6172.6000112.6I21 L29I21-L25 HydrophobicContact CG2-CD1 3.67Å; I21-L25 HydrophobicContact CG2-CG 4.18Å; I21-L25 VanDerWaalsContact O-CB 3.3Å; I21-L25 WeakPolarHBondContact O-CB 3.41Å; I21-L25 WeakPolarHBondContact O-CG 3.41Å; I21-L25 PolarHBondContact O-N 3.46Å; L25-L29 WeakPolarHBondContact O-CB 3.3Å; L25-L29 PolarHBondContact O-N 3.4Å; L25-L29 VanDerWaalsContact O-N 3.09Å
26F61.9Low52.2Low137 Ų137113.6 Ų113.660%0.60160%0.602SS**Hα-helixtrans-73.5-34.7176.3-159.4-97.8000111.9F22 V23 I24 V30F22-F26 VanDerWaalsContact O-CB 3.22Å; F22-F26 WeakPolarHBondContact O-CB 3.32Å; F22-F26 PolarHBondContact O-N 2.94Å; V23-F26 PolarHBondContact O-N 2.96Å; I24-F26 VanDerWaalsContact C-N 3.3Å; I24-F26 PolarHBondContact O-N 3.43Å; F26-V30 WeakPolarHBondContact O-CG2 3.42Å; F26-V30 PolarHBondContact O-N 3.22Å
27M58Low52.1Low118 Ų118117 Ų11758%0.58160%0.598SS**Hα-helixtrans-73.4-37174.2-72-67.4161.600112.7V23 I24 V30 L31V23-M27 WeakPolarHBondContact O-CB 3.36Å; V23-M27 VanDerWaalsContact O-CG 3.26Å; V23-M27 WeakPolarHBondContact O-CG 3.43Å; V23-M27 PolarHBondContact O-N 2.05Å; I24-M27 PolarHBondContact O-N 3.41Å; M27-V30 PolarHBondContact O-N 3.43Å; M27-L31 WeakPolarHBondContact O-CB 3.02Å; M27-L31 PolarHBondContact O-N 3.42Å
28D54.5Low52Low80 Ų80116.7 Ų116.743%0.42860%0.604SS.*Hα-helixtrans-64.8-39.1172.8-98-49.6000112I24 V30 L31 Q32I24-D28 WeakPolarHBondContact O-CB 3.05Å; I24-D28 PolarHBondContact O-N 3.14Å; D28-V30 VanDerWaalsContact C-N 3.28Å; D28-V30 PolarHBondContact O-N 3.08Å; D28-L31 PolarHBondContact O-N 3.2Å; D28-Q32 WeakPolarHBondContact O-CG 3.01Å; D28-Q32 PolarHBondContact O-N 2.93Å
29L56Low51.9Low112 Ų112114.7 Ų114.759%0.58661%0.606SS**Hα-helixtrans-64.1-34.7174.8-159.879.6000111.8L25L25-L29 WeakPolarHBondContact O-CB 3.3Å; L25-L29 PolarHBondContact O-N 3.4Å; L25-L29 VanDerWaalsContact O-N 3.09Å
30V54.9Low50.9Low74 Ų74110.3 Ų110.345%0.44861%0.606SS.*Hα-helixtrans-73.2-37.9175.7172.10000111.1F26 M27 D28 C33F26-V30 WeakPolarHBondContact O-CG2 3.42Å; F26-V30 PolarHBondContact O-N 3.22Å; M27-V30 PolarHBondContact O-N 3.43Å; D28-V30 VanDerWaalsContact C-N 3.28Å; D28-V30 PolarHBondContact O-N 3.08Å; V30-C33 PolarHBondContact O-N 3.23Å
31L53.1Low50.6Low118 Ų118113.2 Ų113.262%0.61862%0.618SS**Hα-helixtrans-73-33.5-178-148.571.2000113.1M27 D28 C33 V34M27-L31 WeakPolarHBondContact O-CB 3.02Å; M27-L31 PolarHBondContact O-N 3.42Å; D28-L31 PolarHBondContact O-N 3.2Å; L31-C33 VanDerWaalsContact C-N 3.29Å; L31-C33 PolarHBondContact O-N 3.35Å; L31-V34 PolarHBondContact O-N 3.4Å
32Q47Very low49.4Very low142 Ų142117.5 Ų117.566%0.66464%0.635SS**Hα-helixtrans-67.7-27175.1-73.8178.4-10.400113.2D28D28-Q32 WeakPolarHBondContact O-CG 3.01Å; D28-Q32 PolarHBondContact O-N 2.93Å
33C46.4Very low48.1Very low78 Ų78117.8 Ų117.853%0.52764%0.642SS.*Hα-helixtrans-73.3-33.3174.9-72.50000112.7V30 L31 G36 Y37V30-C33 PolarHBondContact O-N 3.23Å; L31-C33 VanDerWaalsContact C-N 3.29Å; L31-C33 PolarHBondContact O-N 3.35Å; C33-G36 PolarHBondContact O-N 2.03Å; C33-Y37 WeakPolarHBondContact O-CD2 3.41Å
34V48.7Very low46.8Very low94 Ų94120.8 Ų120.857%0.5766%0.655SS**Hα-helixtrans-70.1-36-176.8-176.30000112L31 G36L31-V34 PolarHBondContact O-N 3.4Å; V34-G36 VanDerWaalsContact C-N 3.26Å; V34-G36 PolarHBondContact O-N 3.22Å
35N43.1Very low45.2Very low146 Ų146125.1 Ų125.178%0.78167%0.673SS**THydrogen-bonded Turntrans-72.8-13.4177.5-89.1-6.1000114.3
36G40.4Very low44Very low57 Ų57128.4 Ų128.459%0.58869%0.686SS**THydrogen-bonded Turntrans-82.9-14.8-18000000115.2C33 V34C33-G36 PolarHBondContact O-N 2.03Å; V34-G36 VanDerWaalsContact C-N 3.26Å; V34-G36 PolarHBondContact O-N 3.22Å
37Y42.9Very low42.7Very low201 Ų201127.4 Ų127.479%0.78869%0.693SS**SBendtrans-98.4-1.3-173-74.9-76.1000115.1C33 S39C33-Y37 WeakPolarHBondContact O-CD2 3.41Å; Y37-S39 PolarHBondContact O-N 2.91Å
38L39.6Very low41.9Very low164 Ų164126.5 Ų126.586%0.85970%0.696SS**SBendtrans-78.67.6179.2-131.491.3000114.6
39S43.6Very low40.7Very low107 Ų107132.5 Ų132.575%0.74871%0.714SS**  trans-133.676-172.9-55.40000112.3Y37Y37-S39 PolarHBondContact O-N 2.91Å
40S32.3Very low39.3Very low116 Ų116132.3 Ų132.381%0.81172%0.717SS**  trans-168.7138.9143.4-151.20000113.3
41P39.9Very low38.5Very low103 Ų103139.5 Ų139.567%0.66974%0.737SS**  trans-99.7153.5-17137.8-32.4000115.3
42H34.8Very low37.4Very low175 Ų175142 Ų14281%0.8175%0.75SS**  trans60.8147.4153.7-84.1-70.4000118.9
43I29.1Very low36.7Very low153 Ų153138.9 Ų138.979%0.78575%0.749SS**  cis-158.2138.836.8-131.2145.9000110
44D35.7Very low36Very low149 Ų149144.6 Ų144.680%0.79777%0.768SS**  trans-83.3137170.7-83.5-70000111.2
45Q27.7Very low35.2Very low197 Ų197149.2 Ų149.292%0.92178%0.783SS**  trans-167.9113.4139.8-119155.5-27.400112.2
46E33.7Very low34.6Very low176 Ų176145.9 Ų145.982%0.82278%0.783SS**  trans-111150166.2-153.7-172.3120.900108.8
47P35.3Very low33.9Very low116 Ų116149.9 Ų149.975%0.75380%0.796SS**  trans-127.5161.3147.836.5-24.6000113.5
48P40.7Very low33.5Very low98 Ų98147.1 Ų147.164%0.63679%0.793SS**  trans-104.9163-14837-27.6000112.6
49Y29.3Very low33.3Very low206 Ų206147.3 Ų147.381%0.80879%0.794SS**  -176.9124.2128.1-117.3-114.6000114.7
50T28.1Very low32.7Very low108 Ų108147.8 Ų147.866%0.66379%0.792SS**  trans41.4118.313862.10000123.7
51R37.3Very low32.8Very low226 Ų226147.3 Ų147.385%0.85379%0.789SS**  trans-11.1136.1131.5-122.5179.9171.9156.1-2116.7
52D29.8Very low33.3Very low170 Ų170147.7 Ų147.791%0.90979%0.791SS**  -158.1139118.9-96.6-33.4000112.9
53A33Very low33.1Very low77 Ų77145.8 Ų145.864%0.63679%0.792SS**  trans-102.3133.2179.800000109.1
54Q31.1Very low33.8Very low198 Ų198145.5 Ų145.593%0.92579%0.79SS**  trans-139.6121.6158.3-98.7-179-33.400111.3
55H31.7Very low33.9Very low191 Ų191144.4 Ų144.488%0.88479%0.791SS**  trans-67.2150.7172.2-82.145.4000111.8
56G29.7Very low34.2Very low75 Ų75139.2 Ų139.277%0.77378%0.782SS**  trans-161.3128.4166.200000111.3
57T26.6Very low34.3Very low141 Ų141137.3 Ų137.387%0.86578%0.782SS**  trans-82.2153.6-156.3-49.40000115.6
58I35Very low34.6Very low143 Ų143136.4 Ų136.473%0.73378%0.784SS**  trans-53.7139.3169.3-62.9154.8000113.1
59I35.1Very low34.3Very low168 Ų168137.4 Ų137.486%0.86279%0.794SS**  trans-145125.6141.9-60.7-171.5000110.6
60T30.5Very low34.8Very low117 Ų117134 Ų13472%0.71879%0.794SS**  trans-69.9140.5167.85.70000110.9
61S34.9Very low35.6Very low107 Ų107134 Ų13475%0.74880%0.798SS**  159.6-177.985.3-140.90000109.3
62P50.6Low36Very low110 Ų110127.9 Ų127.971%0.71479%0.788SS**  -103.2177-129.829-6000113.4
63V30.7Very low36.7Very low135 Ų135124.9 Ų124.982%0.81878%0.776SS**  trans-178.2131.4142.4150.50000111.4
64I43.2Very low37.8Very low148 Ų148128.7 Ų128.776%0.75979%0.786SS**  trans-13.4145.3159.4-46.6172000116.6
65P37.8Very low38.9Very low126 Ų126124.7 Ų124.782%0.81877%0.767SS**  trans-122.3131.8143.117.22.4000113.5
66A34.5Very low40Very low87 Ų87121 Ų12172%0.71975%0.754SS**  trans-75.5141.6164.900000111.2
67V34.8Very low41.6Very low137 Ų137120.5 Ų120.583%0.8374%0.738SS**  trans26.4117.8139.4-160.80000119.9
68A42.8Very low43.5Very low97 Ų97116 Ų11680%0.80271%0.706SS**  trans35.8117.4144.300000120.2
69S34.4Very low45Very low119 Ų119112.2 Ų112.283%0.83269%0.69SS**  trans-137.9118.7152.858.30000110.7
70V40.3Very low46.9Very low133 Ų133109 Ų10981%0.80668%0.682SS**  trans-16.6132.9155.6174.90000114.4
71S44.6Very low49.3Very low108 Ų108110.4 Ų110.476%0.75568%0.678SS**PPolyproline II helixtrans-59.7123172.343.40000112
72P44.1Very low51.7Low98 Ų98105.8 Ų105.864%0.63665%0.646SS**PPolyproline II helixtrans-83.2136.4170.822.7-12.2000110.4
73T44.8Very low53.3Low108 Ų108104 Ų10466%0.66363%0.634SS**PPolyproline II helixtrans-52.3144.216232.90000111.1E75 D76T73-E75 PolarHBondContact O-N 2.79Å; T73-D76 PolarHBondContact O-N 3.07Å
74D55.8Low55.6Low156 Ų156101.9 Ų101.983%0.83463%0.625SS**THydrogen-bonded Turntrans-53.3-2-175.3-101-45.6000116.7
75E54.3Low57.3Low114 Ų11497.3 Ų97.353%0.53362%0.615SS.*THydrogen-bonded Turntrans-86.4-25.6-179.5-78.3-160.7140.500115T73 Y78 K118T73-E75 PolarHBondContact O-N 2.79Å; E75-Y78 VanDerWaalsContact O-CE1 3.26Å; E75-Y78 WeakPolarHBondContact O-CE1 3.46Å; E75-K118 IonicContact OE1-NZ 3.9Å
76D56.5Low59.6Low114 Ų11492.9 Ų92.961%0.6159%0.592SS**SBendtrans-93-13.5-172-66.6-45.1000114.6T73T73-D76 PolarHBondContact O-N 3.07Å
77S61.7Low62.2Low64 Ų6492.7 Ų92.745%0.44858%0.576SS.*THydrogen-bonded Turntrans-84.6-29.2-169.9179.60000114.6S80S77-S80 PolarHBondContact O-OG 3.42Å; S77-S80 VanDerWaalsContact O-OG 3.12Å
78Y67.9Low64.8Low47 Ų4786.2 Ų86.218%0.18454%0.537CS..THydrogen-bonded Turntrans-86.8-29.5-174.863.3-97.9000113.5E75 S80 K81 C82 K117E75-Y78 VanDerWaalsContact O-CE1 3.26Å; E75-Y78 WeakPolarHBondContact O-CE1 3.46Å; Y78-S80 PolarHBondContact O-N 3.28Å; Y78-K81 PolarHBondContact O-N 2.78Å; Y78-C82 PolarHBondContact O-N 2.86Å; Y78-C82 PolarHBondContact O-SG 2.87Å; Y78-K117 HydrophobicContact CD2-CD 4.19Å; Y78-K117 HydrophobicContact CE2-CB 4.08Å; Y78-K117 HydrophobicContact CE2-CD 4.24Å
79T66.6Low66.9Low64 Ų6484.1 Ų84.139%0.39351%0.512SS..G310 helixtrans-62.6-32.1-177.4-47.40000112.1K81T79-K81 VanDerWaalsContact C-N 3.31Å; T79-K81 PolarHBondContact O-N 3.12Å
80S73.3Confident69.5Low100 Ų10087.7 Ų87.770%0.69951%0.507SS*.G310 helixtrans-71.3-21.5176.761.60000114.3S77 Y78S77-S80 PolarHBondContact O-OG 3.42Å; S77-S80 VanDerWaalsContact O-OG 3.12Å; Y78-S80 PolarHBondContact O-N 3.28Å
81K82.3Confident72Confident146 Ų14681.5 Ų81.564%0.63547%0.47SS*.G310 helixtrans-96.6-10.2-177.7-63.8-180-176.6176.60113.2Y78 T79Y78-K81 PolarHBondContact O-N 2.78Å; T79-K81 VanDerWaalsContact C-N 3.31Å; T79-K81 PolarHBondContact O-N 3.12Å
82C85.4Confident74.3Confident11 Ų1177.6 Ų77.67%0.07444%0.442CS..SBendtrans-95.4121.2-175.2-65.20000110.9Y78 S84 C95 V120Y78-C82 PolarHBondContact O-N 2.86Å; Y78-C82 PolarHBondContact O-SG 2.87Å; C82-S84 PolarHBondContact O-N 2.94Å; C82-C95 WeakPolarHBondContact CA-SG 3.36Å; C82-C95 HydrophobicContact CB-CB 3.93Å; C82-C95 WeakPolarHBondContact CB-SG 3.46Å; C82-C95 VanDerWaalsContact SG-CA 3.6Å; C82-C95 WeakPolarHBondContact SG-CB 3.19Å; C82-C95 CovalentContact SG-SG 2.03Å; C82-C95 PolarHBondContact SG-SG 2.73Å; C82-V120 HydrophobicContact CB-CG1 4.16Å; C82-V120 HydrophobicContact CB-CG2 3.7Å
83P83.3Confident76.5Confident73 Ų7373.5 Ų73.547%0.47442%0.416SS..PPolyproline II helixtrans-66.2133174.327.2-32.4000109.9
84S79.4Confident78.7Confident90 Ų9070 Ų7063%0.62940%0.396SS*.SBendtrans-96.6141.7176.2-66.40000110.8C82 G86C82-S84 PolarHBondContact O-N 2.94Å; S84-G86 VanDerWaalsContact C-N 3.33Å; S84-G86 PolarHBondContact O-N 3.41Å
85G78.7Confident80.4Confident52 Ų5262.6 Ų62.654%0.53636%0.356SS..SBendtrans79.76.9176.500000115.6H121G85-H121 PolarHBondContact N-O 3.09Å
86G85.3Confident82.2Confident32 Ų3257.7 Ų57.733%0.3333%0.334SS..SBendtrans-81.2171.6173.300000113.8S84 C122 V123S84-G86 VanDerWaalsContact C-N 3.33Å; S84-G86 PolarHBondContact O-N 3.41Å; G86-C122 WeakPolarHBondContact O-CA 3.41Å; G86-V123 WeakPolarHBondContact O-CG2 3.48Å; G86-V123 PolarHBondContact O-N 3.28Å
87Q89.7Confident83.9Confident83 Ų8357.6 Ų57.639%0.38833%0.33SS..BIsolated β-bridgetrans-65.5134.1173.8-72.2-178.326.400111.4D89 R90 L91 V123Q87-D89 VanDerWaalsContact C-N 3.26Å; Q87-D89 PolarHBondContact O-N 2.03Å; Q87-R90 PolarHBondContact O-N 2.84Å; Q87-R90 VanDerWaalsContact O-N 3.08Å; Q87-L91 VanDerWaalsContact O-CD1 3.29Å; Q87-L91 WeakPolarHBondContact O-CD1 3.26Å; Q87-V123 WeakPolarHBondContact CA-O 3.33Å
88C88.9Confident85.4Confident2 Ų255.5 Ų55.51%0.01432%0.315CS..G310 helixtrans-55.7-36.9-178.4-63.90000114.2R90 L91 C122 V123 F133C88-R90 PolarHBondContact O-N 2.89Å; C88-L91 VanDerWaalsContact CA-CD1 3.42Å; C88-L91 WeakPolarHBondContact O-CD1 3.43Å; C88-L91 PolarHBondContact O-N 2.79Å; C88-C122 VanDerWaalsContact CA-SG 3.58Å; C88-C122 HydrophobicContact CB-CB 3.97Å; C88-C122 WeakPolarHBondContact CB-SG 3.1Å; C88-C122 WeakPolarHBondContact SG-CB 3.24Å; C88-C122 CovalentContact SG-SG 2.05Å; C88-C122 PolarHBondContact SG-SG 2.61Å; C88-V123 PolarHBondContact N-O 2.92Å; C88-F133 HydrophobicContact CB-CB 4.18Å; C88-F133 HydrophobicContact CB-CD1 3.66Å; C88-F133 HydrophobicContact CB-CD2 3.9Å; C88-F133 HydrophobicContact CB-CE1 3.94Å; C88-F133 HydrophobicContact CB-CE2 4.16Å; C88-F133 HydrophobicContact CB-CG 3.65Å; C88-F133 HydrophobicContact CB-CZ 4.18Å; C88-F133 WeakPolarHBondContact O-CE2 3.43Å; C88-F133 WeakPolarHBondContact O-CZ 3.46Å
89D88.3Confident86.7Confident52 Ų5258.5 Ų58.528%0.27833%0.334SS..G310 helixtrans-70.1-13.9-178.4-60.2-15.1000114Q87 K125Q87-D89 VanDerWaalsContact C-N 3.26Å; Q87-D89 PolarHBondContact O-N 2.03Å; D89-K125 WeakPolarHBondContact OD2-CE 3.26Å; D89-K125 IonicContact OD2-NZ 3.22Å; D89-K125 PolarHBondContact OD2-NZ 3.02Å
90R89.5Confident87.9Confident194 Ų19458.3 Ų58.373%0.73233%0.326SS*.G310 helixtrans-108.27.9-178.5-67.9-173.9176.1149.1-0.6113.2Q87 C88Q87-R90 PolarHBondContact O-N 2.84Å; Q87-R90 VanDerWaalsContact O-N 3.08Å; C88-R90 PolarHBondContact O-N 2.89Å
91L91.2Very high88.8Confident4 Ų458.2 Ų58.22%0.02132%0.315CS..  trans-68.8142.2178.1-91.291000111.1Q87 C88 C95 I96 V120 C122 H179Q87-L91 VanDerWaalsContact O-CD1 3.29Å; Q87-L91 WeakPolarHBondContact O-CD1 3.26Å; C88-L91 VanDerWaalsContact CA-CD1 3.42Å; C88-L91 WeakPolarHBondContact O-CD1 3.43Å; C88-L91 PolarHBondContact O-N 2.79Å; L91-C95 HydrophobicContact CD2-CB 3.92Å; L91-I96 HydrophobicContact CB-CG2 3.61Å; L91-I96 HydrophobicContact CD2-CG2 3.93Å; L91-I96 HydrophobicContact CG-CG2 4.36Å; L91-V120 HydrophobicContact CD2-CG1 3.44Å; L91-V120 VanDerWaalsContact CD2-CG1 3.44Å; L91-C122 HydrophobicContact CD1-CB 3.38Å; L91-C122 HydrophobicContact CD2-CB 4.36Å; L91-H179 PolarHBondContact O-CE1 2.9Å; L91-H179 VanDerWaalsContact O-CE1 3.28Å; L91-H179 PolarHBondContact O-NE2 2.91Å
92P92.6Very high89.2Confident26 Ų2657.4 Ų57.417%0.16931%0.313CS..  trans-55.5146.7170.9-22.932.5000111.9S94 C95 D176P92-S94 PolarHBondContact O-N 2.89Å; P92-S94 VanDerWaalsContact O-N 3.09Å; P92-C95 WeakPolarHBondContact O-CB 3.06Å; P92-C95 PolarHBondContact O-N 3.17Å; P92-D176 WeakPolarHBondContact CA-O 3.02Å; P92-D176 HydrophobicContact CB-CB 4.28Å
93A91.4Very high89.6Confident11 Ų1162.9 Ų62.99%0.09134%0.342CS..THydrogen-bonded Turntrans-60.1-23.3178.600000113.5C95 D176A93-C95 VanDerWaalsContact C-N 3.31Å; A93-D176 PolarHBondContact N-O 2.74Å
94S90.1Very high90.1Very high35 Ų3561 Ų6125%0.24533%0.329CS..THydrogen-bonded Turntrans-73.4-20.4175.454.60000113.5P92 K117P92-S94 PolarHBondContact O-N 2.89Å; P92-S94 VanDerWaalsContact O-N 3.09Å; S94-K117 WeakPolarHBondContact O-CD 3.47Å; S94-K117 WeakPolarHBondContact O-CE 3.48Å; S94-K117 PolarHBondContact O-NZ 3.09Å
95C91.4Very high90.9Very high0 Ų061.6 Ų61.60%033%0.33CS..THydrogen-bonded Turntrans-97.2-7.5-175.1-58.70000113.9C82 L91 P92 A93 K117C82-C95 WeakPolarHBondContact CA-SG 3.36Å; C82-C95 HydrophobicContact CB-CB 3.93Å; C82-C95 WeakPolarHBondContact CB-SG 3.46Å; C82-C95 VanDerWaalsContact SG-CA 3.6Å; C82-C95 WeakPolarHBondContact SG-CB 3.19Å; C82-C95 CovalentContact SG-SG 2.03Å; C82-C95 PolarHBondContact SG-SG 2.73Å; L91-C95 HydrophobicContact CD2-CB 3.92Å; P92-C95 WeakPolarHBondContact O-CB 3.06Å; P92-C95 PolarHBondContact O-N 3.17Å; A93-C95 VanDerWaalsContact C-N 3.31Å; C95-K117 PolarHBondContact O-N 2.85Å
96I92.1Very high91.7Very high11 Ų1165.6 Ų65.66%0.05633%0.33CS..EExtended strand (participates in β ladder)trans-126.8155-175.466.2174.3000110.6L91 K115 F133 L135L91-I96 HydrophobicContact CB-CG2 3.61Å; L91-I96 HydrophobicContact CD2-CG2 3.93Å; L91-I96 HydrophobicContact CG-CG2 4.36Å; I96-K115 CarbonylContact C-O 3.58Å; I96-K115 WeakPolarHBondContact CA-O 3.32Å; I96-F133 HydrophobicContact CB-CZ 4.39Å; I96-F133 HydrophobicContact CD1-CZ 4.24Å; I96-F133 HydrophobicContact CG2-CE1 4.35Å; I96-F133 HydrophobicContact CG2-CZ 3.91Å; I96-L135 HydrophobicContact CD1-CD2 3.77Å
97Q93.1Very high92.1Very high113 Ų11366 Ų6653%0.52833%0.334SS..EExtended strand (participates in β ladder)trans-123.9114.5173.1-171.6171.33900108.7C114 K115Q97-C114 WeakPolarHBondContact O-CA 3.49Å; Q97-K115 HydrophobicContact CB-CG 4.17Å; Q97-K115 PolarHBondContact N-O 2.72Å; Q97-K115 WeakPolarHBondContact O-CG 3.28Å; Q97-K115 PolarHBondContact O-N 3.25Å
98C93.6Very high92.4Very high19 Ų1968.3 Ų68.313%0.12834%0.343CS..EExtended strand (participates in β ladder)trans-106.9147-177.2-58.60000111.9Y100 T113 C114C98-Y100 HydrophobicContact CB-CD1 4.15Å; C98-Y100 HydrophobicContact CB-CD2 4.39Å; C98-Y100 HydrophobicContact CB-CE1 3.66Å; C98-Y100 HydrophobicContact CB-CE2 3.96Å; C98-Y100 HydrophobicContact CB-CG 4.48Å; C98-Y100 PolarHBondContact O-N 3Å; C98-T113 WeakPolarHBondContact CA-O 3.42Å; C98-C114 HydrophobicContact CB-CB 4.03Å; C98-C114 WeakPolarHBondContact CB-SG 3.11Å; C98-C114 WeakPolarHBondContact SG-CB 3.46Å; C98-C114 CovalentContact SG-SG 2.03Å; C98-C114 PolarHBondContact SG-SG 3.13Å
99N94.7Very high92.8Very high110 Ų11072.9 Ų72.959%0.58837%0.372SS*.  trans-87.388.1169.6-173.17.1000109.7Q101 T113N99-Q101 PolarHBondContact O-N 3.45Å; N99-T113 PolarHBondContact N-O 3.37Å
100Y91.8Very high93.1Very high60 Ų6071.2 Ų71.224%0.23537%0.366CS..  trans-77.1118.6179.5-63.5-58.2000111.3C98 F112 I137C98-Y100 HydrophobicContact CB-CD1 4.15Å; C98-Y100 HydrophobicContact CB-CD2 4.39Å; C98-Y100 HydrophobicContact CB-CE1 3.66Å; C98-Y100 HydrophobicContact CB-CE2 3.96Å; C98-Y100 HydrophobicContact CB-CG 4.48Å; C98-Y100 PolarHBondContact O-N 3Å; Y100-F112 HydrophobicContact CD1-CB 4.35Å; Y100-F112 HydrophobicContact CD1-CD1 4.41Å; Y100-F112 AromaticContact CD1-CD2 3.84Å; Y100-F112 HydrophobicContact CD1-CD2 3.84Å; Y100-F112 HydrophobicContact CD1-CE2 4.22Å; Y100-F112 AromaticContact CD1-CG 3.93Å; Y100-F112 HydrophobicContact CD1-CG 3.93Å; Y100-F112 HydrophobicContact CE1-CD2 4.19Å; Y100-I137 HydrophobicContact CD1-CD1 4.12Å; Y100-I137 HydrophobicContact CE1-CD1 3.6Å
101Q92Very high93.4Very high99 Ų9965.8 Ų65.846%0.46336%0.358SS..  trans-94140.1169.1-58-177.65.800109.7N99 N103 F112 L181N99-Q101 PolarHBondContact O-N 3.45Å; Q101-N103 VanDerWaalsContact C-N 3.31Å; Q101-N103 WeakPolarHBondContact CB-OD1 3.41Å; Q101-N103 PolarHBondContact OE1-ND2 3.32Å; Q101-N103 PolarHBondContact OE1-OD1 3.5Å; Q101-F112 HydrophobicContact CB-CD1 4.49Å; Q101-F112 HydrophobicContact CB-CE1 4.05Å; Q101-F112 VanDerWaalsContact N-CE1 3.29Å; Q101-F112 VanDerWaalsContact O-CE1 3.28Å; Q101-F112 WeakPolarHBondContact O-CE1 3.32Å; Q101-L181 WeakPolarHBondContact O-CD2 3.23Å
102H91.6Very high93.5Very high129 Ų12966 Ų6660%0.59736%0.359SS*.SBendtrans-92.612.6-178.4-57.396000113.1C104 F141H102-C104 VanDerWaalsContact C-N 3.32Å; H102-C104 PolarHBondContact O-N 2.8Å; H102-F141 AromaticContact CD2-CE1 3.61Å; H102-F141 AromaticContact CD2-CZ 3.75Å; H102-F141 AromaticContact NE2-CE1 3.98Å
103N93.6Very high93.7Very high126 Ų12668.5 Ų68.567%0.67437%0.373SS*.  trans-93.324-176.361.8-7.5000113.2Q101Q101-N103 VanDerWaalsContact C-N 3.31Å; Q101-N103 WeakPolarHBondContact CB-OD1 3.41Å; Q101-N103 PolarHBondContact OE1-ND2 3.32Å; Q101-N103 PolarHBondContact OE1-OD1 3.5Å
104C93.7Very high93.8Very high32 Ų3268 Ų6822%0.21637%0.369CS..SBendtrans-100.8155.1179.256.20000112H102 A110 C139H102-C104 VanDerWaalsContact C-N 3.32Å; H102-C104 PolarHBondContact O-N 2.8Å; C104-A110 HydrophobicContact CB-CB 3.73Å; C104-C139 HydrophobicContact CB-CB 3.66Å; C104-C139 WeakPolarHBondContact CB-SG 3.45Å; C104-C139 PolarHBondContact O-SG 2.04Å; C104-C139 VanDerWaalsContact O-SG 3.34Å; C104-C139 WeakPolarHBondContact SG-CB 3.45Å; C104-C139 CovalentContact SG-SG 2.03Å; C104-C139 PolarHBondContact SG-SG 2.84Å
105T95.5Very high94Very high104 Ų10471 Ų7164%0.63838%0.378SS*.PPolyproline II helixtrans-79127.1175.6-51.30000110.4G107 K108 C139T105-G107 PolarHBondContact O-N 3.48Å; T105-K108 HydrophobicContact CG2-CG 4.11Å; T105-K108 WeakPolarHBondContact O-CB 3.38Å; T105-K108 PolarHBondContact O-N 2.03Å; T105-K108 VanDerWaalsContact O-N 3.11Å; T105-C139 VanDerWaalsContact O-CB 3.26Å; T105-C139 WeakPolarHBondContact O-CB 3.34Å
106Y95.4Very high94Very high135 Ų13572.3 Ų72.353%0.52939%0.386SS..THydrogen-bonded Turntrans-51.3131.7179.3179.2-98.4000112.3K108 C139 Q140 Q144Y106-K108 VanDerWaalsContact C-N 3.28Å; Y106-K108 PolarHBondContact O-N 2.99Å; Y106-C139 CarbonylContact C-O 3.58Å; Y106-C139 WeakPolarHBondContact CA-O 3.34Å; Y106-Q140 HydrophobicContact CD2-CB 4.35Å; Y106-Q140 HydrophobicContact CE2-CB 3.89Å; Y106-Q144 HydrophobicContact CE2-CB 4.47Å; Y106-Q144 VanDerWaalsContact CE2-NE2 3.3Å
107G94.6Very high94Very high41 Ų4175.4 Ų75.442%0.42340%0.399SS..THydrogen-bonded Turntrans77.8-0.517900000115.7T105 C139T105-G107 PolarHBondContact O-N 3.48Å; G107-C139 PolarHBondContact N-O 2.91Å
108K95.9Very high93.7Very high132 Ų13277.5 Ų77.557%0.57441%0.407SS*.SBendtrans-98.3150.1174.9-61.9-60.1-175.2-178.50111.4T105 Y106 A110 C139T105-K108 HydrophobicContact CG2-CG 4.11Å; T105-K108 WeakPolarHBondContact O-CB 3.38Å; T105-K108 PolarHBondContact O-N 2.03Å; T105-K108 VanDerWaalsContact O-N 3.11Å; Y106-K108 VanDerWaalsContact C-N 3.28Å; Y106-K108 PolarHBondContact O-N 2.99Å; K108-A110 PolarHBondContact O-N 2.97Å; K108-C139 WeakPolarHBondContact O-CB 3.02Å; K108-C139 PolarHBondContact O-N 2.83Å
109P96.1Very high93.3Very high98 Ų9879 Ų7964%0.63643%0.425SS*.EExtended strand (participates in β ladder)trans-66.5134173.928.2-33.9000110.2I137P109-I137 CarbonylContact C-O 3.55Å; P109-I137 WeakPolarHBondContact CA-O 3.04Å
110A95.4Very high93Very high16 Ų1674.1 Ų74.113%0.13240%0.399CS..EExtended strand (participates in β ladder)trans-131.9142.4176.700000109.6C104 K108 F112 S136 I137 C139C104-A110 HydrophobicContact CB-CB 3.73Å; K108-A110 PolarHBondContact O-N 2.97Å; A110-F112 HydrophobicContact CB-CE2 3.79Å; A110-F112 HydrophobicContact CB-CZ 3.74Å; A110-S136 WeakPolarHBondContact O-CA 3.2Å; A110-I137 PolarHBondContact N-O 2.04Å; A110-I137 PolarHBondContact O-N 2.81Å; A110-C139 HydrophobicContact CB-CB 4.45Å
111S95.3Very high92.9Very high81 Ų8176.1 Ų76.157%0.56641%0.411SS*.EExtended strand (participates in β ladder)trans-104124.9-176.2-66.90000110.4L135S111-L135 WeakPolarHBondContact CA-O 3.28Å
112F94.6Very high92.8Very high9 Ų971.6 Ų71.64%0.03939%0.389CS..EExtended strand (participates in β ladder)trans-121.1148.8-179.9-57.6-73.3000111.3Y100 Q101 A110 T134 L135 I137 L181Y100-F112 HydrophobicContact CD1-CB 4.35Å; Y100-F112 HydrophobicContact CD1-CD1 4.41Å; Y100-F112 AromaticContact CD1-CD2 3.84Å; Y100-F112 HydrophobicContact CD1-CD2 3.84Å; Y100-F112 HydrophobicContact CD1-CE2 4.22Å; Y100-F112 AromaticContact CD1-CG 3.93Å; Y100-F112 HydrophobicContact CD1-CG 3.93Å; Y100-F112 HydrophobicContact CE1-CD2 4.19Å; Q101-F112 HydrophobicContact CB-CD1 4.49Å; Q101-F112 HydrophobicContact CB-CE1 4.05Å; Q101-F112 VanDerWaalsContact N-CE1 3.29Å; Q101-F112 VanDerWaalsContact O-CE1 3.28Å; Q101-F112 WeakPolarHBondContact O-CE1 3.32Å; A110-F112 HydrophobicContact CB-CE2 3.79Å; A110-F112 HydrophobicContact CB-CZ 3.74Å; F112-T134 WeakPolarHBondContact O-CA 3.28Å; F112-L135 PolarHBondContact N-O 2.83Å; F112-L135 PolarHBondContact O-N 3.48Å; F112-I137 HydrophobicContact CD2-CD1 3.81Å; F112-I137 HydrophobicContact CD2-CG1 3.68Å; F112-I137 HydrophobicContact CE2-CD1 3.7Å; F112-I137 HydrophobicContact CE2-CG1 3.52Å; F112-L181 HydrophobicContact CZ-CD2 4.29Å
113T95.4Very high92.8Very high77 Ų7767.8 Ų67.847%0.47238%0.375SS..EExtended strand (participates in β ladder)trans-83.4125.8175.9-51.40000110.1C98 N99 N132C98-T113 WeakPolarHBondContact CA-O 3.42Å; N99-T113 PolarHBondContact N-O 3.37Å; T113-N132 HydrophobicContact CG2-CB 4.42Å
114C94.3Very high92.5Very high1 Ų162.1 Ų62.11%0.00735%0.347CS..EExtended strand (participates in β ladder)trans-124.5148.4-177.2-57.30000111.5Q97 C98 N132 F133 L135Q97-C114 WeakPolarHBondContact O-CA 3.49Å; C98-C114 HydrophobicContact CB-CB 4.03Å; C98-C114 WeakPolarHBondContact CB-SG 3.11Å; C98-C114 WeakPolarHBondContact SG-CB 3.46Å; C98-C114 CovalentContact SG-SG 2.03Å; C98-C114 PolarHBondContact SG-SG 3.13Å; C114-N132 WeakPolarHBondContact O-CA 3.08Å; C114-F133 HydrophobicContact CB-CD1 4.48Å; C114-F133 HydrophobicContact CB-CD2 4.37Å; C114-F133 HydrophobicContact CB-CE1 3.98Å; C114-F133 HydrophobicContact CB-CE2 3.86Å; C114-F133 HydrophobicContact CB-CZ 3.63Å; C114-F133 PolarHBondContact N-O 2.87Å; C114-F133 WeakPolarHBondContact O-CD1 3.3Å; C114-F133 PolarHBondContact O-N 3Å; C114-L135 VanDerWaalsContact SG-CB 3.53Å
115K93.3Very high91.9Very high99 Ų9968.9 Ų68.943%0.4337%0.372SS..EExtended strand (participates in β ladder)trans-122.4141.2171.560.7-179.3-179.4179.50110.4I96 Q97 S131I96-K115 CarbonylContact C-O 3.58Å; I96-K115 WeakPolarHBondContact CA-O 3.32Å; Q97-K115 HydrophobicContact CB-CG 4.17Å; Q97-K115 PolarHBondContact N-O 2.72Å; Q97-K115 WeakPolarHBondContact O-CG 3.28Å; Q97-K115 PolarHBondContact O-N 3.25Å; K115-S131 WeakPolarHBondContact CB-O 3.5Å
116P92.6Very high91.2Very high27 Ų2767.7 Ų67.718%0.17537%0.368CS..EExtended strand (participates in β ladder)trans-65.5150.3171.428.4-31.5000110.4V120 S131P116-V120 HydrophobicContact CB-CB 4.36Å; P116-S131 VanDerWaalsContact CD-O 3.3Å; P116-S131 WeakPolarHBondContact CD-O 3.17Å
117K91Very high90.4Very high76 Ų7664 Ų6433%0.3337%0.372SS..PPolyproline II helixtrans-67161.6171.9-76.9-175.2176.1174.70110.9Y78 S94 C95 G119 V120Y78-K117 HydrophobicContact CD2-CD 4.19Å; Y78-K117 HydrophobicContact CE2-CB 4.08Å; Y78-K117 HydrophobicContact CE2-CD 4.24Å; S94-K117 WeakPolarHBondContact O-CD 3.47Å; S94-K117 WeakPolarHBondContact O-CE 3.48Å; S94-K117 PolarHBondContact O-NZ 3.09Å; C95-K117 PolarHBondContact O-N 2.85Å; K117-G119 PolarHBondContact O-N 3.37Å; K117-V120 PolarHBondContact O-N 3.11Å; K117-V120 VanDerWaalsContact O-N 3.14Å
118K88.3Confident89.9Confident157 Ų15768.6 Ų68.668%0.68338%0.382SS*.THydrogen-bonded Turntrans-53135.3176.5-61.7-178.9-175173.20109.8E75 V120E75-K118 IonicContact OE1-NZ 3.9Å; K118-V120 VanDerWaalsContact C-N 3.3Å; K118-V120 PolarHBondContact O-N 2.87Å
119G84.7Confident89.3Confident50 Ų5069 Ų6952%0.51539%0.386SS..THydrogen-bonded Turntrans80.6-2.1179.500000115.9K117K117-G119 PolarHBondContact O-N 3.37Å
120V88.6Confident88.7Confident7 Ų767.1 Ų67.14%0.04237%0.369CS..  trans-104120.2176.5-176.10000110.1C82 L91 P116 K117 K118C82-V120 HydrophobicContact CB-CG1 4.16Å; C82-V120 HydrophobicContact CB-CG2 3.7Å; L91-V120 HydrophobicContact CD2-CG1 3.44Å; L91-V120 VanDerWaalsContact CD2-CG1 3.44Å; P116-V120 HydrophobicContact CB-CB 4.36Å; K117-V120 PolarHBondContact O-N 3.11Å; K117-V120 VanDerWaalsContact O-N 3.14Å; K118-V120 VanDerWaalsContact C-N 3.3Å; K118-V120 PolarHBondContact O-N 2.87Å
121H89.4Confident88.3Confident103 Ų10370.5 Ų70.548%0.47739%0.392SS..  trans-106.2124.4177.7-62.4-84000110.5G85 Q129G85-H121 PolarHBondContact N-O 3.09Å; H121-Q129 PolarHBondContact ND1-NE2 3.37Å
122C89.6Confident88.1Confident3 Ų371.2 Ų71.22%0.0239%0.389CS..  trans-127.6153175.571.10000110.9G86 C88 L91 Q130G86-C122 WeakPolarHBondContact O-CA 3.41Å; C88-C122 VanDerWaalsContact CA-SG 3.58Å; C88-C122 HydrophobicContact CB-CB 3.97Å; C88-C122 WeakPolarHBondContact CB-SG 3.1Å; C88-C122 WeakPolarHBondContact SG-CB 3.24Å; C88-C122 CovalentContact SG-SG 2.05Å; C88-C122 PolarHBondContact SG-SG 2.61Å; L91-C122 HydrophobicContact CD1-CB 3.38Å; L91-C122 HydrophobicContact CD2-CB 4.36Å; C122-Q130 PolarHBondContact O-N 2.94Å
123V90.8Very high88Confident49 Ų4971.2 Ų71.230%0.29739%0.389SS..BIsolated β-bridgetrans-105.9140.4178.9-66.90000110.6G86 Q87 C88G86-V123 WeakPolarHBondContact O-CG2 3.48Å; G86-V123 PolarHBondContact O-N 3.28Å; Q87-V123 WeakPolarHBondContact CA-O 3.33Å; C88-V123 PolarHBondContact N-O 2.92Å
124G87.4Confident87.9Confident7 Ų771.7 Ų71.77%0.07239%0.392CS..  trans-74.3175.6171.900000112.3S126 G127 E128 Q130G124-S126 PolarHBondContact O-N 3.25Å; G124-S126 VanDerWaalsContact O-N 3.16Å; G124-G127 PolarHBondContact O-N 3.47Å; G124-E128 PolarHBondContact N-O 3.01Å; G124-Q130 VanDerWaalsContact CA-CD 3.42Å
125K81.9Confident87.9Confident174 Ų17472 Ų7276%0.75739%0.394SS*.THydrogen-bonded Turntrans-61.3-22.2175-64.8179.1-175.5165.90113.2D89D89-K125 WeakPolarHBondContact OD2-CE 3.26Å; D89-K125 IonicContact OD2-NZ 3.22Å; D89-K125 PolarHBondContact OD2-NZ 3.02Å
126S79.6Confident87.9Confident79 Ų7971 Ų7155%0.55240%0.399SS*.THydrogen-bonded Turntrans-871.1176.651.10000114.3G124 E128G124-S126 PolarHBondContact O-N 3.25Å; G124-S126 VanDerWaalsContact O-N 3.16Å; S126-E128 PolarHBondContact O-N 3.34Å
127G80.3Confident88Confident59 Ų5970.2 Ų70.261%0.60839%0.393SS*.SBendtrans79.2-0.7-177.400000114.8G124G124-G127 PolarHBondContact O-N 3.47Å
128E83.3Confident88.2Confident136 Ų13669.6 Ų69.664%0.63640%0.396SS*.SBendtrans-87.1149176.8-65.1177.5151.800111.7G124 S126 Q130G124-E128 PolarHBondContact N-O 3.01Å; S126-E128 PolarHBondContact O-N 3.34Å; E128-Q130 PolarHBondContact O-N 2.9Å
129Q84.5Confident88.6Confident141 Ų14162.6 Ų62.666%0.65937%0.367SS*.BIsolated β-bridgetrans-69.8121.1174.2-176.6176.4-20.100110.1H121H121-Q129 PolarHBondContact ND1-NE2 3.37Å
130Q83.4Confident89.1Confident58 Ų5861.9 Ų61.927%0.27135%0.35SS..  trans-105127.2-178.1-67.6-174.4-17.700111.6C122 G124 E128C122-Q130 PolarHBondContact O-N 2.94Å; G124-Q130 VanDerWaalsContact CA-CD 3.42Å; E128-Q130 PolarHBondContact O-N 2.9Å
131S85.8Confident89.4Confident88 Ų8865.2 Ų65.262%0.61536%0.364SS*.SBendtrans-87.1-25.6172.159.50000112.6K115 P116K115-S131 WeakPolarHBondContact CB-O 3.5Å; P116-S131 VanDerWaalsContact CD-O 3.3Å; P116-S131 WeakPolarHBondContact CD-O 3.17Å
132N92.2Very high89.8Confident96 Ų9660.4 Ų60.451%0.51334%0.342SS..SBendtrans-138137.3173.5-64.1-77.2000108.8T113 C114T113-N132 HydrophobicContact CG2-CB 4.42Å; C114-N132 WeakPolarHBondContact O-CA 3.08Å
133F92.3Very high90Very high8 Ų867.5 Ų67.54%0.03537%0.368CS..EExtended strand (participates in β ladder)trans-142.6166.3177.765-85000110.3C88 I96 C114 L135C88-F133 HydrophobicContact CB-CB 4.18Å; C88-F133 HydrophobicContact CB-CD1 3.66Å; C88-F133 HydrophobicContact CB-CD2 3.9Å; C88-F133 HydrophobicContact CB-CE1 3.94Å; C88-F133 HydrophobicContact CB-CE2 4.16Å; C88-F133 HydrophobicContact CB-CG 3.65Å; C88-F133 HydrophobicContact CB-CZ 4.18Å; C88-F133 WeakPolarHBondContact O-CE2 3.43Å; C88-F133 WeakPolarHBondContact O-CZ 3.46Å; I96-F133 HydrophobicContact CB-CZ 4.39Å; I96-F133 HydrophobicContact CD1-CZ 4.24Å; I96-F133 HydrophobicContact CG2-CE1 4.35Å; I96-F133 HydrophobicContact CG2-CZ 3.91Å; C114-F133 HydrophobicContact CB-CD1 4.48Å; C114-F133 HydrophobicContact CB-CD2 4.37Å; C114-F133 HydrophobicContact CB-CE1 3.98Å; C114-F133 HydrophobicContact CB-CE2 3.86Å; C114-F133 HydrophobicContact CB-CZ 3.63Å; C114-F133 PolarHBondContact N-O 2.87Å; C114-F133 WeakPolarHBondContact O-CD1 3.3Å; C114-F133 PolarHBondContact O-N 3Å; F133-L135 HydrophobicContact CE2-CB 4.16Å; F133-L135 HydrophobicContact CE2-CD1 4.44Å
134T92.8Very high90.3Very high87 Ų8768.1 Ų68.153%0.53437%0.368SS..EExtended strand (participates in β ladder)trans-106.2117.6-178.8-560000109.9F112F112-T134 WeakPolarHBondContact O-CA 3.28Å
135L93.1Very high90.7Very high9 Ų968.1 Ų68.15%0.04737%0.366CS..EExtended strand (participates in β ladder)trans-102.4127.5178.6-173.669.9000110.2I96 S111 F112 C114 F133 I137 H179I96-L135 HydrophobicContact CD1-CD2 3.77Å; S111-L135 WeakPolarHBondContact CA-O 3.28Å; F112-L135 PolarHBondContact N-O 2.83Å; F112-L135 PolarHBondContact O-N 3.48Å; C114-L135 VanDerWaalsContact SG-CB 3.53Å; F133-L135 HydrophobicContact CE2-CB 4.16Å; F133-L135 HydrophobicContact CE2-CD1 4.44Å; L135-I137 HydrophobicContact CD2-CG2 3.73Å; L135-I137 HydrophobicContact CG-CG2 3.76Å; L135-H179 HydrophobicContact CD2-CB 4.41Å
136S94.8Very high91.4Very high76 Ų7664.1 Ų64.153%0.53135%0.353SS..EExtended strand (participates in β ladder)trans-94.7121.6174.4-165.10000110.3A110A110-S136 WeakPolarHBondContact O-CA 3.2Å
137I94.3Very high92.1Very high12 Ų1264.2 Ų64.26%0.06235%0.352CS..EExtended strand (participates in β ladder)trans-133.8155.9179.772.5171.1000110.2Y100 P109 A110 F112 L135 C139 H179 L181Y100-I137 HydrophobicContact CD1-CD1 4.12Å; Y100-I137 HydrophobicContact CE1-CD1 3.6Å; P109-I137 CarbonylContact C-O 3.55Å; P109-I137 WeakPolarHBondContact CA-O 3.04Å; A110-I137 PolarHBondContact N-O 2.04Å; A110-I137 PolarHBondContact O-N 2.81Å; F112-I137 HydrophobicContact CD2-CD1 3.81Å; F112-I137 HydrophobicContact CD2-CG1 3.68Å; F112-I137 HydrophobicContact CE2-CD1 3.7Å; F112-I137 HydrophobicContact CE2-CG1 3.52Å; L135-I137 HydrophobicContact CD2-CG2 3.73Å; L135-I137 HydrophobicContact CG-CG2 3.76Å; I137-C139 PolarHBondContact O-N 2.82Å; I137-H179 HydrophobicContact CB-CB 4.19Å; I137-H179 HydrophobicContact CD1-CB 4.41Å; I137-H179 HydrophobicContact CG2-CB 3.49Å; I137-H179 VanDerWaalsContact CG2-CB 3.49Å; I137-L181 HydrophobicContact CD1-CD1 4.48Å
138T95.4Very high92.8Very high62 Ų6265 Ų6538%0.3835%0.348SS..EExtended strand (participates in β ladder)trans-69.5131171.1-55.20000110Q140T138-Q140 HydrophobicContact CG2-CG 4.45Å; T138-Q140 PolarHBondContact O-N 2.91Å
139C95.6Very high93.4Very high11 Ų1161.3 Ų61.37%0.07433%0.331CS..SBendtrans-69.991.1176.9-176.30000110.7C104 T105 Y106 G107 K108 A110 I137C104-C139 HydrophobicContact CB-CB 3.66Å; C104-C139 WeakPolarHBondContact CB-SG 3.45Å; C104-C139 PolarHBondContact O-SG 2.04Å; C104-C139 VanDerWaalsContact O-SG 3.34Å; C104-C139 WeakPolarHBondContact SG-CB 3.45Å; C104-C139 CovalentContact SG-SG 2.03Å; C104-C139 PolarHBondContact SG-SG 2.84Å; T105-C139 VanDerWaalsContact O-CB 3.26Å; T105-C139 WeakPolarHBondContact O-CB 3.34Å; Y106-C139 CarbonylContact C-O 3.58Å; Y106-C139 WeakPolarHBondContact CA-O 3.34Å; G107-C139 PolarHBondContact N-O 2.91Å; K108-C139 WeakPolarHBondContact O-CB 3.02Å; K108-C139 PolarHBondContact O-N 2.83Å; A110-C139 HydrophobicContact CB-CB 4.45Å; I137-C139 PolarHBondContact O-N 2.82Å
140Q96.1Very high94Very high35 Ų3555.2 Ų55.216%0.16430%0.302CS..  trans-152.2144175.261.9-174.525.400110.8Y106 T138 L145 L181Y106-Q140 HydrophobicContact CD2-CB 4.35Å; Y106-Q140 HydrophobicContact CE2-CB 3.89Å; T138-Q140 HydrophobicContact CG2-CG 4.45Å; T138-Q140 PolarHBondContact O-N 2.91Å; Q140-L145 HydrophobicContact CG-CD1 3.85Å; Q140-L181 VanDerWaalsContact O-CD1 3.32Å; Q140-L181 WeakPolarHBondContact O-CD1 3.41Å; Q140-L181 PolarHBondContact O-N 3.33Å
141F95.9Very high94.6Very high77 Ų7760.6 Ų60.634%0.33832%0.32SS..BIsolated β-bridgetrans-76.7148177.1-71-82000111.6H102 W143 Q144 L145 L181H102-F141 AromaticContact CD2-CE1 3.61Å; H102-F141 AromaticContact CD2-CZ 3.75Å; H102-F141 AromaticContact NE2-CE1 3.98Å; F141-W143 HydrophobicContact CB-CG 4.41Å; F141-W143 VanDerWaalsContact CB-NE1 3.28Å; F141-W143 AromaticContact CG-NE1 3.77Å; F141-W143 PolarHBondContact O-N 2.88Å; F141-Q144 HydrophobicContact CB-CG 4.43Å; F141-Q144 VanDerWaalsContact CD2-OE1 3.28Å; F141-Q144 WeakPolarHBondContact O-CB 3.33Å; F141-Q144 PolarHBondContact O-N 3.48Å; F141-L145 WeakPolarHBondContact O-CD1 3.48Å; F141-L181 CarbonylContact C-O 3.21Å; F141-L181 WeakPolarHBondContact CA-O 3.42Å; F141-L181 HydrophobicContact CD1-CB 3.86Å; F141-L181 HydrophobicContact CE1-CB 4.15Å; F141-L181 HydrophobicContact CG-CB 4.43Å
142C95.9Very high95.1Very high1 Ų158.4 Ų58.41%0.00730%0.304CS..G310 helixtrans-52.7-29.4-177.6-63.90000114.8V174 C180 L181 K183 F186C142-V174 HydrophobicContact CB-CG2 3.85Å; C142-C180 WeakPolarHBondContact CA-SG 3.37Å; C142-C180 HydrophobicContact CB-CB 3.94Å; C142-C180 WeakPolarHBondContact CB-SG 3.23Å; C142-C180 VanDerWaalsContact SG-C 3.6Å; C142-C180 WeakPolarHBondContact SG-CB 2.94Å; C142-C180 CovalentContact SG-SG 2.04Å; C142-C180 PolarHBondContact SG-SG 2.96Å; C142-L181 PolarHBondContact N-O 3.35Å; C142-L181 PolarHBondContact SG-O 2.97Å; C142-K183 VanDerWaalsContact CB-O 3.31Å; C142-K183 WeakPolarHBondContact CB-O 3.42Å; C142-F186 HydrophobicContact CB-CD1 4.41Å; C142-F186 HydrophobicContact CB-CE1 4.49Å; C142-F186 WeakPolarHBondContact O-CE1 3.35Å
143W95.6Very high95.2Very high152 Ų15256.5 Ų56.558%0.57630%0.298SS*.G310 helixtrans-83.4-11.817961.8-91.2000114.3F141 F186F141-W143 HydrophobicContact CB-CG 4.41Å; F141-W143 VanDerWaalsContact CB-NE1 3.28Å; F141-W143 AromaticContact CG-NE1 3.77Å; F141-W143 PolarHBondContact O-N 2.88Å; W143-F186 HydrophobicContact CB-CD1 4.41Å; W143-F186 HydrophobicContact CB-CD2 3.87Å; W143-F186 HydrophobicContact CB-CE2 4.07Å; W143-F186 HydrophobicContact CB-CG 4.06Å; W143-F186 HydrophobicContact CB-CZ 4.43Å
144Q95.9Very high95.1Very high63 Ų6361.2 Ų61.229%0.29432%0.323SS..G310 helixtrans-96.3-3.3177.5-64.7179.7-84.700113.4Y106 F141Y106-Q144 HydrophobicContact CE2-CB 4.47Å; Y106-Q144 VanDerWaalsContact CE2-NE2 3.3Å; F141-Q144 HydrophobicContact CB-CG 4.43Å; F141-Q144 VanDerWaalsContact CD2-OE1 3.28Å; F141-Q144 WeakPolarHBondContact O-CB 3.33Å; F141-Q144 PolarHBondContact O-N 3.48Å
145L95.9Very high94.7Very high6 Ų658.8 Ų58.83%0.03131%0.31CS..SBendtrans-59.4160.8177.3-89.357.5000111.4Q140 F141 E149 Y150 V174 V178 C180Q140-L145 HydrophobicContact CG-CD1 3.85Å; F141-L145 WeakPolarHBondContact O-CD1 3.48Å; L145-E149 HydrophobicContact CB-CB 4.16Å; L145-E149 WeakPolarHBondContact CB-OE2 3.35Å; L145-E149 HydrophobicContact CD2-CB 3.99Å; L145-E149 HydrophobicContact CG-CB 4.32Å; L145-E149 WeakPolarHBondContact CG-OE2 3.12Å; L145-Y150 HydrophobicContact CB-CD1 4.08Å; L145-Y150 WeakPolarHBondContact O-CE1 3.47Å; L145-V174 HydrophobicContact CD2-CB 4.49Å; L145-V174 HydrophobicContact CD2-CG1 3.58Å; L145-V174 HydrophobicContact CD2-CG2 4.03Å; L145-V178 HydrophobicContact CD2-CG1 3.54Å; L145-V178 HydrophobicContact CG-CG1 4.43Å; L145-C180 HydrophobicContact CD1-CB 3.74Å; L145-C180 HydrophobicContact CD2-CB 4.13Å
146D95.8Very high94.2Very high90 Ų9063 Ų6348%0.48134%0.337SS..  trans-67.3147.1173.5-174-91.6000110.7S148 E149 Y150D146-S148 PolarHBondContact O-N 2.8Å; D146-S148 VanDerWaalsContact OD1-CB 3.3Å; D146-S148 WeakPolarHBondContact OD1-CB 3.45Å; D146-S148 PolarHBondContact OD1-N 3.42Å; D146-S148 PolarHBondContact OD1-OG 3.46Å; D146-E149 HydrophobicContact CB-CG 4.36Å; D146-E149 PolarHBondContact N-OE2 2.89Å; D146-E149 PolarHBondContact O-N 2.82Å; D146-Y150 VanDerWaalsContact O-CD1 3.28Å; D146-Y150 WeakPolarHBondContact O-CD1 3.14Å; D146-Y150 VanDerWaalsContact O-CE1 3.28Å; D146-Y150 WeakPolarHBondContact O-CE1 3.19Å
147P94.8Very high93.5Very high82 Ų8266.4 Ų66.453%0.53235%0.349SS..THydrogen-bonded Turntrans-55.1-19.8176.8-26.135.5000116E149P147-E149 VanDerWaalsContact C-N 3.33Å
148S95.5Very high93Very high76 Ų7666.1 Ų66.153%0.53135%0.348SS..THydrogen-bonded Turntrans-74-21174.159.20000114D146 L175D146-S148 PolarHBondContact O-N 2.8Å; D146-S148 VanDerWaalsContact OD1-CB 3.3Å; D146-S148 WeakPolarHBondContact OD1-CB 3.45Å; D146-S148 PolarHBondContact OD1-N 3.42Å; D146-S148 PolarHBondContact OD1-OG 3.46Å; S148-L175 WeakPolarHBondContact O-CD1 2.88Å
149E96.6Very high92.4Very high57 Ų5768.1 Ų68.127%0.26635%0.354SS..SBendtrans-95.7-2.7-172.1-62.4-179.3136.600113.8L145 D146 P147 L175 V178L145-E149 HydrophobicContact CB-CB 4.16Å; L145-E149 WeakPolarHBondContact CB-OE2 3.35Å; L145-E149 HydrophobicContact CD2-CB 3.99Å; L145-E149 HydrophobicContact CG-CB 4.32Å; L145-E149 WeakPolarHBondContact CG-OE2 3.12Å; D146-E149 HydrophobicContact CB-CG 4.36Å; D146-E149 PolarHBondContact N-OE2 2.89Å; D146-E149 PolarHBondContact O-N 2.82Å; P147-E149 VanDerWaalsContact C-N 3.33Å; E149-L175 WeakPolarHBondContact O-CB 3.47Å; E149-L175 VanDerWaalsContact O-CG 3.32Å; E149-L175 WeakPolarHBondContact O-CG 3.5Å; E149-L175 PolarHBondContact O-N 2.03Å; E149-V178 HydrophobicContact CB-CG1 4.36Å; E149-V178 HydrophobicContact CB-CG2 4.15Å; E149-V178 HydrophobicContact CG-CG2 4.4Å
150Y96.1Very high91.9Very high14 Ų1467.8 Ų67.86%0.05535%0.352CS..EExtended strand (participates in β ladder)trans-139.6158176.863.2-102.1000111.8L145 D146 C152 C172 D173 F186 K188L145-Y150 HydrophobicContact CB-CD1 4.08Å; L145-Y150 WeakPolarHBondContact O-CE1 3.47Å; D146-Y150 VanDerWaalsContact O-CD1 3.28Å; D146-Y150 WeakPolarHBondContact O-CD1 3.14Å; D146-Y150 VanDerWaalsContact O-CE1 3.28Å; D146-Y150 WeakPolarHBondContact O-CE1 3.19Å; Y150-C152 WeakPolarHBondContact CD2-SG 3.08Å; Y150-C152 WeakPolarHBondContact CE2-SG 3.33Å; Y150-C172 HydrophobicContact CD2-CB 4.08Å; Y150-D173 CarbonylContact C-O 3.54Å; Y150-D173 WeakPolarHBondContact CA-O 3.39Å; Y150-D173 WeakPolarHBondContact CB-O 3.31Å; Y150-F186 HydrophobicContact CD1-CZ 4.15Å; Y150-F186 HydrophobicContact CD2-CZ 4.36Å; Y150-F186 HydrophobicContact CE1-CZ 4.46Å; Y150-F186 HydrophobicContact CG-CZ 4.1Å; Y150-K188 PolarHBondContact OH-NZ 3.03Å
151R96.6Very high91.2Very high171 Ų17170.1 Ų70.165%0.64537%0.368SS*.EExtended strand (participates in β ladder)trans-116.3132.5175.2-62.8-62.7-174.2-167.1-0.9109.6C172 D173 L175R151-C172 CarbonylContact O-C 3.32Å; R151-C172 WeakPolarHBondContact O-CA 3.29Å; R151-D173 PolarHBondContact N-O 3.31Å; R151-D173 PolarHBondContact O-N 3.07Å; R151-L175 HydrophobicContact CG-CD2 3.88Å
152C95.6Very high90.3Very high42 Ų4268.1 Ų68.128%0.28436%0.364SS..EExtended strand (participates in β ladder)trans-110146.2177.2-580000111.5Y150 N154 A170 T171 C172 L190Y150-C152 WeakPolarHBondContact CD2-SG 3.08Å; Y150-C152 WeakPolarHBondContact CE2-SG 3.33Å; C152-N154 PolarHBondContact O-N 3.37Å; C152-A170 HydrophobicContact CB-CB 4.11Å; C152-T171 CarbonylContact C-O 3.55Å; C152-T171 WeakPolarHBondContact CA-O 3.31Å; C152-C172 HydrophobicContact CB-CB 4.1Å; C152-C172 WeakPolarHBondContact CB-SG 3.5Å; C152-C172 WeakPolarHBondContact SG-CB 3.43Å; C152-C172 CovalentContact SG-SG 2.04Å; C152-C172 PolarHBondContact SG-SG 3.47Å; C152-L190 HydrophobicContact CB-CD1 3.71Å
153S94.1Very high89.5Confident56 Ų5674.4 Ų74.439%0.39241%0.406SS..  trans-61.3131.1171.362.60000110.4Y168 T171S153-Y168 PolarHBondContact O-OH 2.86Å; S153-T171 PolarHBondContact N-O 2.9Å; S153-T171 PolarHBondContact OG-N 3.42Å; S153-T171 PolarHBondContact OG-O 2.99Å
154N89.9Confident89Confident106 Ų10673 Ų7357%0.56742%0.416SS*.  trans-87.3148.5172.5-157.9-2.8000110.9C152C152-N154 PolarHBondContact O-N 3.37Å
155S85.3Confident88.5Confident36 Ų3677.7 Ų77.725%0.25243%0.431SS..  trans-111.1127.5174.9-175.80000110.2
156T82.2Confident88.1Confident99 Ų9982.5 Ų82.561%0.60745%0.452SS*.SBendtrans-90.7-14.2176.356.70000113C158T156-C158 VanDerWaalsContact C-N 3.29Å; T156-C158 PolarHBondContact O-N 2.91Å
157N80.6Confident87.9Confident146 Ų14685.3 Ų85.378%0.78146%0.456SS*.SBendtrans-94.231.8-176.5-163.1-96.6000112.3
158C84.3Confident87.7Confident7 Ų782.9 Ų82.95%0.04744%0.437CS..  trans-132.9140.7-175.388.80000113.5T156 C192T156-C158 VanDerWaalsContact C-N 3.29Å; T156-C158 PolarHBondContact O-N 2.91Å; C158-C192 HydrophobicContact CB-CB 4.17Å; C158-C192 WeakPolarHBondContact CB-SG 3.39Å; C158-C192 WeakPolarHBondContact SG-CB 3.33Å; C158-C192 CovalentContact SG-SG 2.03Å; C158-C192 PolarHBondContact SG-SG 3.41Å
159M82.7Confident87.6Confident103 Ų10384.3 Ų84.351%0.50744%0.438SS..  trans-84.9122.5-176.7-63.6167.8175.300109.2
160T84.7Confident87.6Confident5 Ų581.6 Ų81.63%0.03143%0.426CS..SBendtrans-82.7-36-179.5-56.50000111.9S162 C192 W194 G257 L259T160-S162 PolarHBondContact O-N 3.38Å; T160-C192 WeakPolarHBondContact CG2-O 3.42Å; T160-W194 PolarHBondContact OG1-N 2.78Å; T160-W194 VanDerWaalsContact OG1-N 3.07Å; T160-W194 PolarHBondContact OG1-O 3.25Å; T160-G257 WeakPolarHBondContact CA-O 3.49Å; T160-G257 WeakPolarHBondContact CB-O 3.47Å; T160-G257 PolarHBondContact N-O 2.85Å; T160-L259 HydrophobicContact CG2-CB 4.04Å; T160-L259 HydrophobicContact CG2-CD1 3.84Å; T160-L259 HydrophobicContact CG2-CG 4.48Å
161V81.4Confident87.6Confident84 Ų8482.3 Ų82.351%0.50943%0.431SS..SBendtrans-94.725.1-173.4-57.90000114.6G257V161-G257 PolarHBondContact N-O 3.38Å; V161-G257 VanDerWaalsContact N-O 3.16Å
162S76.5Confident87.6Confident35 Ų3574.2 Ų74.225%0.24540%0.401CS..  trans-80.1146.8175.871.30000112.2T160 P164 R165 K166T160-S162 PolarHBondContact O-N 3.38Å; S162-P164 CarbonylContact C-O 3.59Å; S162-P164 VanDerWaalsContact C-O 3.32Å; S162-P164 CarbonylContact O-C 3.05Å; S162-P164 VanDerWaalsContact O-O 3.07Å; S162-P164 PolarHBondContact OG-O 3.1Å; S162-R165 VanDerWaalsContact O-CA 3.24Å; S162-R165 WeakPolarHBondContact O-CA 3.33Å; S162-R165 PolarHBondContact O-N 3.26Å; S162-R165 VanDerWaalsContact O-N 3.1Å; S162-K166 PolarHBondContact OG-N 3.3Å
163C80.1Confident87.6Confident133 Ų13375 Ų7590%0.89940%0.402SS*.SBendtrans-114.4115.2169.2-77.70000110.1
164P84.9Confident87.8Confident121 Ų12172.8 Ų72.879%0.78639%0.386SS*.SBendcis-68.9159-3.529.9-35.3000113S162 K166S162-P164 CarbonylContact C-O 3.59Å; S162-P164 VanDerWaalsContact C-O 3.32Å; S162-P164 CarbonylContact O-C 3.05Å; S162-P164 VanDerWaalsContact O-O 3.07Å; S162-P164 PolarHBondContact OG-O 3.1Å; P164-K166 PolarHBondContact O-N 3.4Å
165R85.4Confident88Confident162 Ų16269.8 Ų69.861%0.61137%0.37SS*.PPolyproline II helixtrans-58.6122.1179-83.7-173.2158.8171.7-2.3111S162 F191S162-R165 VanDerWaalsContact O-CA 3.24Å; S162-R165 WeakPolarHBondContact O-CA 3.33Å; S162-R165 PolarHBondContact O-N 3.26Å; S162-R165 VanDerWaalsContact O-N 3.1Å; R165-F191 HydrophobicContact CB-CD1 3.94Å; R165-F191 HydrophobicContact CB-CE1 4.06Å
166K87.3Confident88.4Confident108 Ų10872.4 Ų72.447%0.4738%0.381SS..PPolyproline II helixtrans-65.6139.7179.7-165.1174.5-176.5-178.70110.6S162 P164 C192S162-K166 PolarHBondContact OG-N 3.3Å; P164-K166 PolarHBondContact O-N 3.4Å; K166-C192 PolarHBondContact O-N 3.5Å
167R91Very high88.8Confident149 Ų14974.2 Ų74.256%0.56238%0.383SS*.EExtended strand (participates in β ladder)trans-107.9147.3171.1-65.5-176.8178.3174.62.3109.7L190 F191R167-L190 CarbonylContact C-O 3.6Å; R167-L190 VanDerWaalsContact CA-O 3.23Å; R167-L190 WeakPolarHBondContact CA-O 3.28Å; R167-F191 HydrophobicContact CG-CD1 3.79Å; R167-F191 HydrophobicContact CG-CE1 3.88Å; R167-F191 HydrophobicContact CG-CG 4.5Å
168Y91.4Very high89.5Confident31 Ų3168 Ų6812%0.12235%0.35CS..EExtended strand (participates in β ladder)trans-125.8154.617373.9-82.4000110.7S153 A170 R189 L190 F191 C192S153-Y168 PolarHBondContact O-OH 2.86Å; Y168-A170 HydrophobicContact CD2-CB 4.17Å; Y168-A170 HydrophobicContact CE2-CB 3.57Å; Y168-R189 WeakPolarHBondContact O-CA 3.32Å; Y168-L190 HydrophobicContact CE1-CB 4.01Å; Y168-L190 PolarHBondContact N-O 2.97Å; Y168-L190 PolarHBondContact O-N 3Å; Y168-F191 WeakPolarHBondContact CE1-O 3.48Å; Y168-C192 HydrophobicContact CD1-CB 4.5Å
169N94.1Very high89.9Confident106 Ų10669.1 Ų69.157%0.56735%0.354SS*.EExtended strand (participates in β ladder)trans-83.6114.7173.1-65.5-18.4000108R189N169-R189 VanDerWaalsContact OD1-CG 3.23Å; N169-R189 WeakPolarHBondContact OD1-CG 3.44Å; N169-R189 PolarHBondContact OD1-NE 3.5Å
170A94.6Very high90.5Very high0 Ų064.2 Ų64.20%033%0.33CS..EExtended strand (participates in β ladder)trans-101.1142.7175.400000110.1C152 Y168 Q187 K188 L190C152-A170 HydrophobicContact CB-CB 4.11Å; Y168-A170 HydrophobicContact CD2-CB 4.17Å; Y168-A170 HydrophobicContact CE2-CB 3.57Å; A170-Q187 WeakPolarHBondContact O-CA 3.48Å; A170-Q187 PolarHBondContact O-OE1 3.45Å; A170-K188 PolarHBondContact N-O 2.87Å; A170-K188 PolarHBondContact O-N 2.85Å; A170-L190 HydrophobicContact CB-CD1 3.61Å; A170-L190 HydrophobicContact CB-CG 4.04Å
171T96.6Very high91Very high29 Ų2964.2 Ų64.218%0.17833%0.33CS..EExtended strand (participates in β ladder)trans-88.4120.2167.7-55.90000108.3C152 S153 R185 Q187C152-T171 CarbonylContact C-O 3.55Å; C152-T171 WeakPolarHBondContact CA-O 3.31Å; S153-T171 PolarHBondContact N-O 2.9Å; S153-T171 PolarHBondContact OG-N 3.42Å; S153-T171 PolarHBondContact OG-O 2.99Å; T171-R185 HydrophobicContact CG2-CG 3.71Å; T171-R185 VanDerWaalsContact CG2-NE 3.31Å; T171-Q187 PolarHBondContact OG1-NE2 3.1Å
172C96.4Very high91.6Very high0 Ų062.2 Ų62.20%033%0.326CS..EExtended strand (participates in β ladder)trans-110.7134.9-179.2-56.50000110.5Y150 R151 C152 R185 F186Y150-C172 HydrophobicContact CD2-CB 4.08Å; R151-C172 CarbonylContact O-C 3.32Å; R151-C172 WeakPolarHBondContact O-CA 3.29Å; C152-C172 HydrophobicContact CB-CB 4.1Å; C152-C172 WeakPolarHBondContact CB-SG 3.5Å; C152-C172 WeakPolarHBondContact SG-CB 3.43Å; C152-C172 CovalentContact SG-SG 2.04Å; C152-C172 PolarHBondContact SG-SG 3.47Å; C172-R185 CarbonylContact O-C 3.59Å; C172-R185 VanDerWaalsContact O-CA 3.31Å; C172-R185 WeakPolarHBondContact O-CA 3.4Å; C172-F186 HydrophobicContact CB-CD2 4.08Å; C172-F186 HydrophobicContact CB-CE1 4.13Å; C172-F186 HydrophobicContact CB-CE2 3.63Å; C172-F186 HydrophobicContact CB-CZ 3.66Å; C172-F186 PolarHBondContact N-O 3.03Å; C172-F186 PolarHBondContact O-N 2.95Å
173D96.9Very high92.4Very high59 Ų5969 Ų6932%0.31635%0.351SS..EExtended strand (participates in β ladder)trans-119.1126.9177.5-66.7-72000109.2Y150 R151 R185Y150-D173 CarbonylContact C-O 3.54Å; Y150-D173 WeakPolarHBondContact CA-O 3.39Å; Y150-D173 WeakPolarHBondContact CB-O 3.31Å; R151-D173 PolarHBondContact N-O 3.31Å; R151-D173 PolarHBondContact O-N 3.07Å; D173-R185 WeakPolarHBondContact OD1-CB 3.44Å; D173-R185 VanDerWaalsContact OD1-CD 3.24Å; D173-R185 WeakPolarHBondContact OD1-CD 3.48Å; D173-R185 WeakPolarHBondContact OD1-CG 3.45Å; D173-R185 IonicContact OD1-CZ 3.62Å; D173-R185 IonicContact OD1-NE 3.75Å; D173-R185 IonicContact OD1-NH1 2.85Å; D173-R185 PolarHBondContact OD1-NH1 3.06Å; D173-R185 IonicContact OD2-CZ 3.47Å; D173-R185 IonicContact OD2-NH1 2.72Å; D173-R185 PolarHBondContact OD2-NH1 3.2Å
174V97.3Very high93.1Very high10 Ų1065.4 Ų65.46%0.06132%0.319CS..EExtended strand (participates in β ladder)trans-69.9142.2176.61790000111.1C142 L145 V178 R184 F186C142-V174 HydrophobicContact CB-CG2 3.85Å; L145-V174 HydrophobicContact CD2-CB 4.49Å; L145-V174 HydrophobicContact CD2-CG1 3.58Å; L145-V174 HydrophobicContact CD2-CG2 4.03Å; V174-V178 HydrophobicContact CG1-CB 3.86Å; V174-V178 HydrophobicContact CG1-CG1 4.14Å; V174-R184 WeakPolarHBondContact CG2-O 3.17Å; V174-R184 PolarHBondContact N-O 3.32Å; V174-R184 VanDerWaalsContact N-O 3.13Å; V174-R184 PolarHBondContact O-NH2 3.33Å; V174-R184 VanDerWaalsContact O-NH2 3.09Å; V174-F186 HydrophobicContact CG2-CE1 3.87Å
175L95.6Very high93.6Very high43 Ų4366.9 Ų66.923%0.22531%0.309CS..  trans-60.6143.4177.6-66.2174.2000112S148 E149 R151 H177 V178 R184S148-L175 WeakPolarHBondContact O-CD1 2.88Å; E149-L175 WeakPolarHBondContact O-CB 3.47Å; E149-L175 VanDerWaalsContact O-CG 3.32Å; E149-L175 WeakPolarHBondContact O-CG 3.5Å; E149-L175 PolarHBondContact O-N 2.03Å; R151-L175 HydrophobicContact CG-CD2 3.88Å; L175-H177 VanDerWaalsContact C-N 3.26Å; L175-H177 PolarHBondContact O-N 3.18Å; L175-V178 HydrophobicContact CB-CG2 4.09Å; L175-V178 PolarHBondContact O-N 2.89Å; L175-R184 VanDerWaalsContact C-NH2 3.33Å; L175-R184 PolarHBondContact O-NH2 3.3Å
176D91.8Very high94.1Very high91 Ų9160.3 Ų60.349%0.48729%0.285SS..THydrogen-bonded Turntrans-60.9-29.4-170.4-78.2-38.8000114.9P92 A93P92-D176 WeakPolarHBondContact CA-O 3.02Å; P92-D176 HydrophobicContact CB-CB 4.28Å; A93-D176 PolarHBondContact N-O 2.74Å
177H91.6Very high94.5Very high137 Ų13761 Ų6163%0.63429%0.289SS*.THydrogen-bonded Turntrans-84.4-9.5178.664.5-89000113.7L175L175-H177 VanDerWaalsContact C-N 3.26Å; L175-H177 PolarHBondContact O-N 3.18Å
178V94.3Very high94.7Very high14 Ų1457 Ų579%0.08528%0.276CS..  trans-96.9125.5-179-175.30000109.1L145 E149 V174 L175 R184L145-V178 HydrophobicContact CD2-CG1 3.54Å; L145-V178 HydrophobicContact CG-CG1 4.43Å; E149-V178 HydrophobicContact CB-CG1 4.36Å; E149-V178 HydrophobicContact CB-CG2 4.15Å; E149-V178 HydrophobicContact CG-CG2 4.4Å; V174-V178 HydrophobicContact CG1-CB 3.86Å; V174-V178 HydrophobicContact CG1-CG1 4.14Å; L175-V178 HydrophobicContact CB-CG2 4.09Å; L175-V178 PolarHBondContact O-N 2.89Å; V178-R184 PolarHBondContact O-NH1 3.35Å
179H94.4Very high94.8Very high31 Ų3164.1 Ų64.114%0.14430%0.303CS..  trans-102.1133.7177.3-58.8-88.9000110.3L91 L135 I137L91-H179 PolarHBondContact O-CE1 2.9Å; L91-H179 VanDerWaalsContact O-CE1 3.28Å; L91-H179 PolarHBondContact O-NE2 2.91Å; L135-H179 HydrophobicContact CD2-CB 4.41Å; I137-H179 HydrophobicContact CB-CB 4.19Å; I137-H179 HydrophobicContact CD1-CB 4.41Å; I137-H179 HydrophobicContact CG2-CB 3.49Å; I137-H179 VanDerWaalsContact CG2-CB 3.49Å
180C95.2Very high94.7Very high1 Ų161.1 Ų61.11%0.00729%0.287CS..  trans-151.2159.5-173.656.50000111.1C142 L145C142-C180 WeakPolarHBondContact CA-SG 3.37Å; C142-C180 HydrophobicContact CB-CB 3.94Å; C142-C180 WeakPolarHBondContact CB-SG 3.23Å; C142-C180 VanDerWaalsContact SG-C 3.6Å; C142-C180 WeakPolarHBondContact SG-CB 2.94Å; C142-C180 CovalentContact SG-SG 2.04Å; C142-C180 PolarHBondContact SG-SG 2.96Å; L145-C180 HydrophobicContact CD1-CB 3.74Å; L145-C180 HydrophobicContact CD2-CB 4.13Å
181L94.8Very high94.5Very high4 Ų466.2 Ų66.22%0.02131%0.309CS..BIsolated β-bridgetrans-81.2143.4178.1-68.4102.5000112.2Q101 F112 I137 Q140 F141 C142Q101-L181 WeakPolarHBondContact O-CD2 3.23Å; F112-L181 HydrophobicContact CZ-CD2 4.29Å; I137-L181 HydrophobicContact CD1-CD1 4.48Å; Q140-L181 VanDerWaalsContact O-CD1 3.32Å; Q140-L181 WeakPolarHBondContact O-CD1 3.41Å; Q140-L181 PolarHBondContact O-N 3.33Å; F141-L181 CarbonylContact C-O 3.21Å; F141-L181 WeakPolarHBondContact CA-O 3.42Å; F141-L181 HydrophobicContact CD1-CB 3.86Å; F141-L181 HydrophobicContact CE1-CB 4.15Å; F141-L181 HydrophobicContact CG-CB 4.43Å; C142-L181 PolarHBondContact N-O 3.35Å; C142-L181 PolarHBondContact SG-O 2.97Å
182G93.4Very high94.1Very high42 Ų4265.2 Ų65.243%0.43330%0.303SS..SBendtrans86.3-153174.900000114.4
183K93.8Very high93.7Very high177 Ų17770.5 Ų70.577%0.7733%0.331SS*.  trans-79.4123.5-176.6-64.8-177.3-179.31800110.6C142 R185C142-K183 VanDerWaalsContact CB-O 3.31Å; C142-K183 WeakPolarHBondContact CB-O 3.42Å; K183-R185 VanDerWaalsContact C-N 3.32Å; K183-R185 PolarHBondContact O-N 2.7Å
184R94.1Very high93.3Very high59 Ų5970.3 Ų70.322%0.22333%0.326CS..SBendtrans-69.3-26.5178-62.9179.761.974.6-0114V174 L175 V178V174-R184 WeakPolarHBondContact CG2-O 3.17Å; V174-R184 PolarHBondContact N-O 3.32Å; V174-R184 VanDerWaalsContact N-O 3.13Å; V174-R184 PolarHBondContact O-NH2 3.33Å; V174-R184 VanDerWaalsContact O-NH2 3.09Å; L175-R184 VanDerWaalsContact C-NH2 3.33Å; L175-R184 PolarHBondContact O-NH2 3.3Å; V178-R184 PolarHBondContact O-NH1 3.35Å
185R96.2Very high92.9Very high152 Ų15272.8 Ų72.857%0.57434%0.342SS*.EExtended strand (participates in β ladder)trans-104.2116.5174-171.8170.2-172.5106.4-2.7108.9T171 C172 D173 K183T171-R185 HydrophobicContact CG2-CG 3.71Å; T171-R185 VanDerWaalsContact CG2-NE 3.31Å; C172-R185 CarbonylContact O-C 3.59Å; C172-R185 VanDerWaalsContact O-CA 3.31Å; C172-R185 WeakPolarHBondContact O-CA 3.4Å; D173-R185 WeakPolarHBondContact OD1-CB 3.44Å; D173-R185 VanDerWaalsContact OD1-CD 3.24Å; D173-R185 WeakPolarHBondContact OD1-CD 3.48Å; D173-R185 WeakPolarHBondContact OD1-CG 3.45Å; D173-R185 IonicContact OD1-CZ 3.62Å; D173-R185 IonicContact OD1-NE 3.75Å; D173-R185 IonicContact OD1-NH1 2.85Å; D173-R185 PolarHBondContact OD1-NH1 3.06Å; D173-R185 IonicContact OD2-CZ 3.47Å; D173-R185 IonicContact OD2-NH1 2.72Å; D173-R185 PolarHBondContact OD2-NH1 3.2Å; K183-R185 VanDerWaalsContact C-N 3.32Å; K183-R185 PolarHBondContact O-N 2.7Å
186F96.4Very high92.4Very high23 Ų2372.2 Ų72.210%0.10135%0.346CS..EExtended strand (participates in β ladder)trans-138.3159.1-174.662.1-91000112.1C142 W143 Y150 C172 V174 K188C142-F186 HydrophobicContact CB-CD1 4.41Å; C142-F186 HydrophobicContact CB-CE1 4.49Å; C142-F186 WeakPolarHBondContact O-CE1 3.35Å; W143-F186 HydrophobicContact CB-CD1 4.41Å; W143-F186 HydrophobicContact CB-CD2 3.87Å; W143-F186 HydrophobicContact CB-CE2 4.07Å; W143-F186 HydrophobicContact CB-CG 4.06Å; W143-F186 HydrophobicContact CB-CZ 4.43Å; Y150-F186 HydrophobicContact CD1-CZ 4.15Å; Y150-F186 HydrophobicContact CD2-CZ 4.36Å; Y150-F186 HydrophobicContact CE1-CZ 4.46Å; Y150-F186 HydrophobicContact CG-CZ 4.1Å; C172-F186 HydrophobicContact CB-CD2 4.08Å; C172-F186 HydrophobicContact CB-CE1 4.13Å; C172-F186 HydrophobicContact CB-CE2 3.63Å; C172-F186 HydrophobicContact CB-CZ 3.66Å; C172-F186 PolarHBondContact N-O 3.03Å; C172-F186 PolarHBondContact O-N 2.95Å; V174-F186 HydrophobicContact CG2-CE1 3.87Å; F186-K188 HydrophobicContact CD2-CB 4.4Å; F186-K188 HydrophobicContact CE2-CB 4.2Å; F186-K188 HydrophobicContact CE2-CD 4.21Å
187Q95.4Very high92.3Very high122 Ų12270 Ų7057%0.5734%0.344SS*.EExtended strand (participates in β ladder)trans-94133.3177.2-64.3-61.6-4200109.8A170 T171A170-Q187 WeakPolarHBondContact O-CA 3.48Å; A170-Q187 PolarHBondContact O-OE1 3.45Å; T171-Q187 PolarHBondContact OG1-NE2 3.1Å
188K94.5Very high92.2Very high65 Ų6565.3 Ų65.328%0.28332%0.321SS..EExtended strand (participates in β ladder)trans-133.1139.6177.2-168166.1-177.1164.40110.6Y150 A170 F186 L190Y150-K188 PolarHBondContact OH-NZ 3.03Å; A170-K188 PolarHBondContact N-O 2.87Å; A170-K188 PolarHBondContact O-N 2.85Å; F186-K188 HydrophobicContact CD2-CB 4.4Å; F186-K188 HydrophobicContact CE2-CB 4.2Å; F186-K188 HydrophobicContact CE2-CD 4.21Å; K188-L190 HydrophobicContact CD-CD2 4.09Å; K188-L190 HydrophobicContact CG-CD2 4.06Å; K188-L190 PolarHBondContact O-N 2.74Å
189R93Very high92.2Very high181 Ų18170 Ų7068%0.68334%0.341SS*.EExtended strand (participates in β ladder)trans-82.9111.7171.8-79.1-171.6174.6-176.43.6109.7Y168 N169Y168-R189 WeakPolarHBondContact O-CA 3.32Å; N169-R189 VanDerWaalsContact OD1-CG 3.23Å; N169-R189 WeakPolarHBondContact OD1-CG 3.44Å; N169-R189 PolarHBondContact OD1-NE 3.5Å
190L92.3Very high92.2Very high44 Ų4473.6 Ų73.623%0.2335%0.353CS..EExtended strand (participates in β ladder)trans-110.4155.3177.3-62.2-179.9000110.5C152 R167 Y168 A170 K188C152-L190 HydrophobicContact CB-CD1 3.71Å; R167-L190 CarbonylContact C-O 3.6Å; R167-L190 VanDerWaalsContact CA-O 3.23Å; R167-L190 WeakPolarHBondContact CA-O 3.28Å; Y168-L190 HydrophobicContact CE1-CB 4.01Å; Y168-L190 PolarHBondContact N-O 2.97Å; Y168-L190 PolarHBondContact O-N 3Å; A170-L190 HydrophobicContact CB-CD1 3.61Å; A170-L190 HydrophobicContact CB-CG 4.04Å; K188-L190 HydrophobicContact CD-CD2 4.09Å; K188-L190 HydrophobicContact CG-CD2 4.06Å; K188-L190 PolarHBondContact O-N 2.74Å
191F90.6Very high92.1Very high106 Ų10677 Ų7747%0.46538%0.377SS..EExtended strand (participates in β ladder)trans-73.8143.4168.6-72-73.2000110.1R165 R167 Y168 N193R165-F191 HydrophobicContact CB-CD1 3.94Å; R165-F191 HydrophobicContact CB-CE1 4.06Å; R167-F191 HydrophobicContact CG-CD1 3.79Å; R167-F191 HydrophobicContact CG-CE1 3.88Å; R167-F191 HydrophobicContact CG-CG 4.5Å; Y168-F191 WeakPolarHBondContact CE1-O 3.48Å; F191-N193 PolarHBondContact O-N 2.97Å
192C88.8Confident92.1Very high9 Ų979.2 Ų79.26%0.06139%0.39CS..  trans-61.1125171.5-78.30000110.7C158 T160 K166 Y168C158-C192 HydrophobicContact CB-CB 4.17Å; C158-C192 WeakPolarHBondContact CB-SG 3.39Å; C158-C192 WeakPolarHBondContact SG-CB 3.33Å; C158-C192 CovalentContact SG-SG 2.03Å; C158-C192 PolarHBondContact SG-SG 3.41Å; T160-C192 WeakPolarHBondContact CG2-O 3.42Å; K166-C192 PolarHBondContact O-N 3.5Å; Y168-C192 HydrophobicContact CD1-CB 4.5Å
193N88.1Confident92.1Very high110 Ų11077.2 Ų77.259%0.58837%0.37SS*.  trans-137.168.5173.7-170.112000108.3F191F191-N193 PolarHBondContact O-N 2.97Å
194W87.1Confident92.1Very high56 Ų5670.8 Ų70.821%0.21234%0.343CS..  trans-113.2137.2178.9-179.571.8000110.9T160 D256 S258 L259T160-W194 PolarHBondContact OG1-N 2.78Å; T160-W194 VanDerWaalsContact OG1-N 3.07Å; T160-W194 PolarHBondContact OG1-O 3.25Å; W194-D256 HydrophobicContact CH2-CB 4.28Å; W194-D256 HydrophobicContact CZ3-CB 3.91Å; W194-S258 VanDerWaalsContact CE3-CB 3.48Å; W194-S258 VanDerWaalsContact CZ3-CB 3.41Å; W194-S258 WeakPolarHBondContact O-CA 3.39Å; W194-L259 PolarHBondContact O-N 3.09Å; W194-L259 VanDerWaalsContact O-N 3.1Å
195T89.1Confident92.2Very high62 Ų6270.2 Ų70.238%0.3835%0.352SS..BIsolated β-bridgetrans-117.9128.7-18054.70000109.4G197 L259 I261T195-G197 VanDerWaalsContact C-N 3.33Å; T195-L259 HydrophobicContact CG2-CB 4.21Å; T195-I261 HydrophobicContact CG2-CG1 4.13Å
196G85.4Confident92.1Very high30 Ų3065 Ų6531%0.30934%0.335SS..  trans-87.94.6-178.800000114.4S258G196-S258 WeakPolarHBondContact CA-OG 3.43Å; G196-S258 PolarHBondContact N-OG 2.9Å
197G89.7Confident91.9Very high44 Ų4463.9 Ų63.945%0.45433%0.33SS..SBendtrans89.60.6-177.500000114.8T195 K199T195-G197 VanDerWaalsContact C-N 3.33Å; G197-K199 PolarHBondContact O-N 2.89Å
198Y90.3Very high91.7Very high40 Ų4063.2 Ų63.216%0.15733%0.329CS..  trans-73.7125.9-180-57.8-82.5000111Y219 P254 D256 S258 Y260 I261Y198-Y219 HydrophobicContact CD1-CE1 4.11Å; Y198-Y219 WeakPolarHBondContact CE1-O 3.07Å; Y198-P254 HydrophobicContact CD1-CB 4.48Å; Y198-P254 HydrophobicContact CD2-CB 3.46Å; Y198-P254 VanDerWaalsContact CD2-CB 3.46Å; Y198-P254 HydrophobicContact CD2-CG 3.46Å; Y198-P254 VanDerWaalsContact CD2-CG 3.46Å; Y198-P254 HydrophobicContact CE2-CB 3.6Å; Y198-P254 HydrophobicContact CE2-CG 4.15Å; Y198-P254 HydrophobicContact CG-CB 3.92Å; Y198-P254 HydrophobicContact CG-CG 3.66Å; Y198-D256 WeakPolarHBondContact CE2-OD2 3.43Å; Y198-D256 PolarHBondContact OH-OD2 3.01Å; Y198-S258 WeakPolarHBondContact CD2-OG 3.45Å; Y198-Y260 CarbonylContact O-C 3.57Å; Y198-Y260 WeakPolarHBondContact O-CA 3.46Å; Y198-I261 PolarHBondContact O-N 3.36Å
199K94.1Very high91.6Very high113 Ų11364.9 Ų64.949%0.49135%0.345SS..  trans-93.1128177.2-66.8-174.7179.3-177.30110.2G197 S201 T202 A203 Y219 I261G197-K199 PolarHBondContact O-N 2.89Å; K199-S201 VanDerWaalsContact C-N 3.31Å; K199-S201 PolarHBondContact O-N 3.43Å; K199-T202 PolarHBondContact O-N 3.37Å; K199-A203 PolarHBondContact O-N 2.74Å; K199-A203 VanDerWaalsContact O-N 3.1Å; K199-Y219 PolarHBondContact N-OH 3.34Å; K199-I261 WeakPolarHBondContact CA-O 3.3Å
200W93.6Very high91.4Very high106 Ų10659.9 Ų59.940%0.40233%0.331SS..Hα-helixtrans-61.4-42.5179177.380.7000111.7T202 A203 L204 I247 Y260 I261W200-T202 VanDerWaalsContact C-N 3.34Å; W200-T202 PolarHBondContact O-N 2.98Å; W200-A203 PolarHBondContact O-N 3.45Å; W200-L204 HydrophobicContact CH2-CD1 3.8Å; W200-L204 HydrophobicContact CZ2-CD1 3.65Å; W200-L204 HydrophobicContact CZ3-CD1 4.48Å; W200-L204 WeakPolarHBondContact O-CB 3.23Å; W200-L204 PolarHBondContact O-N 3.2Å; W200-I247 PolarHBondContact NE1-O 3.13Å; W200-Y260 HydrophobicContact CB-CD1 4.07Å; W200-Y260 HydrophobicContact CB-CD2 4.39Å; W200-Y260 HydrophobicContact CB-CG 3.89Å; W200-I261 PolarHBondContact N-O 3.19Å
201S94Very high91.1Very high72 Ų7257.8 Ų57.850%0.50332%0.321SS..Hα-helixtrans-62.5-3917957.50000112.9K199 L204 A205K199-S201 VanDerWaalsContact C-N 3.31Å; K199-S201 PolarHBondContact O-N 3.43Å; S201-L204 PolarHBondContact O-N 3.35Å; S201-A205 WeakPolarHBondContact O-CB 3.37Å; S201-A205 PolarHBondContact O-N 3.4Å
202T94.4Very high90.8Very high50 Ų5053.8 Ų53.831%0.30731%0.309SS..Hα-helixtrans-66.6-45.3175.8-57.70000111K199 W200 L204 A205 L206 Y219K199-T202 PolarHBondContact O-N 3.37Å; W200-T202 VanDerWaalsContact C-N 3.34Å; W200-T202 PolarHBondContact O-N 2.98Å; T202-L204 VanDerWaalsContact C-N 3.28Å; T202-L204 PolarHBondContact O-N 3.18Å; T202-A205 PolarHBondContact O-N 3.48Å; T202-L206 HydrophobicContact CG2-CD1 4.02Å; T202-L206 HydrophobicContact CG2-CG 4.33Å; T202-L206 WeakPolarHBondContact O-CB 3.33Å; T202-L206 VanDerWaalsContact O-CG 3.29Å; T202-L206 WeakPolarHBondContact O-CG 3.21Å; T202-L206 PolarHBondContact O-N 3.16Å; T202-Y219 HydrophobicContact CG2-CE1 4.35Å; T202-Y219 HydrophobicContact CG2-CE2 4.11Å
203A93.8Very high90.8Very high0 Ų059.6 Ų59.60%033%0.334CS..Hα-helixtrans-58.5-43176.700000111.4K199 W200 L206 S207 Y219 L220 I247 Y260K199-A203 PolarHBondContact O-N 2.74Å; K199-A203 VanDerWaalsContact O-N 3.1Å; W200-A203 PolarHBondContact O-N 3.45Å; A203-L206 PolarHBondContact O-N 3.33Å; A203-S207 WeakPolarHBondContact O-CB 3.44Å; A203-S207 PolarHBondContact O-N 3.2Å; A203-Y219 HydrophobicContact CB-CD1 3.97Å; A203-Y219 HydrophobicContact CB-CE1 4.04Å; A203-L220 HydrophobicContact CB-CD2 4.26Å; A203-I247 HydrophobicContact CB-CG2 4.19Å; A203-Y260 HydrophobicContact CB-CE1 4.25Å
204L94.3Very high90.9Very high42 Ų4254.4 Ų54.422%0.2231%0.306CS..Hα-helixtrans-66.8-44.4177.6-172.3135.3000112.4W200 S201 T202 L206 S207 I208 I247W200-L204 HydrophobicContact CH2-CD1 3.8Å; W200-L204 HydrophobicContact CZ2-CD1 3.65Å; W200-L204 HydrophobicContact CZ3-CD1 4.48Å; W200-L204 WeakPolarHBondContact O-CB 3.23Å; W200-L204 PolarHBondContact O-N 3.2Å; S201-L204 PolarHBondContact O-N 3.35Å; T202-L204 VanDerWaalsContact C-N 3.28Å; T202-L204 PolarHBondContact O-N 3.18Å; L204-L206 VanDerWaalsContact C-N 3.34Å; L204-L206 PolarHBondContact O-N 3.02Å; L204-S207 WeakPolarHBondContact O-CB 3.38Å; L204-S207 PolarHBondContact O-N 3.05Å; L204-I208 HydrophobicContact CD2-CD1 3.67Å; L204-I208 HydrophobicContact CG-CD1 4.38Å; L204-I208 WeakPolarHBondContact O-CG1 3.47Å; L204-I208 PolarHBondContact O-N 2.85Å; L204-I247 HydrophobicContact CB-CG2 4.22Å
205A95.4Very high91.1Very high48 Ų4853 Ų5340%0.39731%0.306SS..Hα-helixtrans-62.4-40.7176.800000112.3S201 T202 S207 I208 T209S201-A205 WeakPolarHBondContact O-CB 3.37Å; S201-A205 PolarHBondContact O-N 3.4Å; T202-A205 PolarHBondContact O-N 3.48Å; A205-S207 VanDerWaalsContact C-N 3.33Å; A205-I208 PolarHBondContact O-N 3.15Å; A205-T209 PolarHBondContact O-N 2.83Å; A205-T209 PolarHBondContact O-OG1 3.31Å
206L93.4Very high91.2Very high41 Ų4150 Ų5022%0.21529%0.288CS..Hα-helixtrans-66.5-35.2175.4-71.4176.1000111.9T202 A203 L204 L210 G211 Y219T202-L206 HydrophobicContact CG2-CD1 4.02Å; T202-L206 HydrophobicContact CG2-CG 4.33Å; T202-L206 WeakPolarHBondContact O-CB 3.33Å; T202-L206 VanDerWaalsContact O-CG 3.29Å; T202-L206 WeakPolarHBondContact O-CG 3.21Å; T202-L206 PolarHBondContact O-N 3.16Å; A203-L206 PolarHBondContact O-N 3.33Å; L204-L206 VanDerWaalsContact C-N 3.34Å; L204-L206 PolarHBondContact O-N 3.02Å; L206-L210 HydrophobicContact CD2-CD1 3.9Å; L206-L210 CarbonylContact O-C 3.59Å; L206-L210 WeakPolarHBondContact O-CA 3.35Å; L206-L210 PolarHBondContact O-N 3.45Å; L206-G211 PolarHBondContact O-N 2.88Å; L206-Y219 HydrophobicContact CD1-CD1 4.31Å; L206-Y219 HydrophobicContact CD1-CD2 4Å; L206-Y219 HydrophobicContact CD1-CG 3.73Å
207S92.2Very high91.5Very high0 Ų048.9 Ų48.90%027%0.274CS..Hα-helixtrans-65.1-42.1175.5-171.20000112.1A203 L204 A205 G211 D243 V244A203-S207 WeakPolarHBondContact O-CB 3.44Å; A203-S207 PolarHBondContact O-N 3.2Å; L204-S207 WeakPolarHBondContact O-CB 3.38Å; L204-S207 PolarHBondContact O-N 3.05Å; A205-S207 VanDerWaalsContact C-N 3.33Å; S207-G211 WeakPolarHBondContact O-CA 3.3Å; S207-G211 PolarHBondContact O-N 3.09Å; S207-G211 VanDerWaalsContact O-N 3.14Å; S207-D243 WeakPolarHBondContact OG-CB 3.34Å; S207-V244 WeakPolarHBondContact OG-CG2 3.41Å; S207-V244 PolarHBondContact OG-N 3.34Å
208I92.1Very high91.7Very high108 Ų10851 Ų5155%0.55427%0.271SS*.Hα-helixtrans-69.3-45.8178.5-64.3168.1000111.9L204 A205 V244L204-I208 HydrophobicContact CD2-CD1 3.67Å; L204-I208 HydrophobicContact CG-CD1 4.38Å; L204-I208 WeakPolarHBondContact O-CG1 3.47Å; L204-I208 PolarHBondContact O-N 2.85Å; A205-I208 PolarHBondContact O-N 3.15Å; I208-V244 HydrophobicContact CG1-CG1 4.48Å; I208-V244 HydrophobicContact CG1-CG2 3.71Å
209T91.3Very high91.8Very high101 Ų10152.2 Ų52.262%0.6228%0.276SS*.Hα-helixtrans-88-36.5-170.854.20000113.6A205A205-T209 PolarHBondContact O-N 2.83Å; A205-T209 PolarHBondContact O-OG1 3.31Å
210L90Very high91.6Very high75 Ų7546.9 Ų46.939%0.39325%0.253SS..Hα-helixtrans-13312.5-169-70.3153.4000112.3L206 G212 F213 G214 A215L206-L210 HydrophobicContact CD2-CD1 3.9Å; L206-L210 CarbonylContact O-C 3.59Å; L206-L210 WeakPolarHBondContact O-CA 3.35Å; L206-L210 PolarHBondContact O-N 3.45Å; L210-G212 PolarHBondContact O-N 2.99Å; L210-F213 HydrophobicContact CD2-CD2 4.28Å; L210-F213 PolarHBondContact O-N 3.43Å; L210-F213 VanDerWaalsContact O-N 3.14Å; L210-G214 PolarHBondContact O-N 2.93Å; L210-A215 HydrophobicContact CB-CB 3.54Å; L210-A215 PolarHBondContact O-N 3Å
211G84.8Confident91.4Very high1 Ų143.5 Ų43.51%0.0125%0.251CS..G310 helixtrans-63.3-28.6-177.600000113.2L206 S207 F213 G214L206-G211 PolarHBondContact O-N 2.88Å; S207-G211 WeakPolarHBondContact O-CA 3.3Å; S207-G211 PolarHBondContact O-N 3.09Å; S207-G211 VanDerWaalsContact O-N 3.14Å; G211-F213 PolarHBondContact O-N 3.44Å; G211-G214 WeakPolarHBondContact O-CA 3.03Å; G211-G214 PolarHBondContact O-N 3.32Å
212G85.6Confident91.3Very high22 Ų2241.7 Ų41.723%0.22724%0.235CC..G310 helixtrans-64.9-28178.900000112.2L210 G234L210-G212 PolarHBondContact O-N 2.99Å; G212-G234 WeakPolarHBondContact O-CA 3.45Å; G212-G234 PolarHBondContact O-N 3.32Å
213F89.1Confident91.1Very high131 Ų13147.1 Ų47.158%0.57525%0.25SC*.G310 helixtrans-90.7-1173.1-59.1-74.7000112.8L210 G211 L230L210-F213 HydrophobicContact CD2-CD2 4.28Å; L210-F213 PolarHBondContact O-N 3.43Å; L210-F213 VanDerWaalsContact O-N 3.14Å; G211-F213 PolarHBondContact O-N 3.44Å; F213-L230 HydrophobicContact CB-CD1 4.27Å; F213-L230 HydrophobicContact CD1-CD1 4.05Å
214G89Confident91Very high0 Ų056.3 Ų56.30%028%0.284CS..THydrogen-bonded Turntrans73.720.4-178.600000115.2L210 G211 D216 R217 F218L210-G214 PolarHBondContact O-N 2.93Å; G211-G214 WeakPolarHBondContact O-CA 3.03Å; G211-G214 PolarHBondContact O-N 3.32Å; G214-D216 VanDerWaalsContact C-OD1 3.24Å; G214-D216 WeakPolarHBondContact CA-OD1 3.24Å; G214-D216 PolarHBondContact O-N 2.86Å; G214-R217 PolarHBondContact O-N 3.39Å; G214-F218 WeakPolarHBondContact O-CD2 3.34Å; G214-F218 PolarHBondContact O-N 2.9Å
215A92.1Very high90.8Very high26 Ų2659.6 Ų59.622%0.21530%0.299CS..Hα-helixtrans-59.1-32.5-178.900000113.1L210 Y219L210-A215 HydrophobicContact CB-CB 3.54Å; L210-A215 PolarHBondContact O-N 3Å; A215-Y219 WeakPolarHBondContact O-CB 3.4Å; A215-Y219 PolarHBondContact O-N 3.14Å
216D91.2Very high90.5Very high0 Ų057.3 Ų57.30%028%0.28CS..Hα-helixtrans-60.2-44.4172.463.4-40.6000112.5G214 Y219 L220 K229 D243 I247G214-D216 VanDerWaalsContact C-OD1 3.24Å; G214-D216 WeakPolarHBondContact CA-OD1 3.24Å; G214-D216 PolarHBondContact O-N 2.86Å; D216-Y219 PolarHBondContact O-N 3.33Å; D216-L220 WeakPolarHBondContact O-CG 3.43Å; D216-L220 PolarHBondContact O-N 3.29Å; D216-L220 VanDerWaalsContact O-N 3.13Å; D216-K229 VanDerWaalsContact CG-NZ 3.27Å; D216-K229 IonicContact OD1-NZ 2.94Å; D216-K229 PolarHBondContact OD1-NZ 2.98Å; D216-K229 IonicContact OD2-NZ 2.81Å; D216-K229 PolarHBondContact OD2-NZ 3.49Å; D216-D243 WeakPolarHBondContact OD2-CB 3.42Å; D216-I247 HydrophobicContact CB-CD1 4.1Å
217R91.7Very high90.3Very high7 Ų758.5 Ų58.53%0.02629%0.286CS..Hα-helixtrans-72.1-38.6178.6-61.9-71.1164-159.6-6.6111.9G214 Y219 L220 G221 Q222 E225 K229 D243G214-R217 PolarHBondContact O-N 3.39Å; R217-Y219 VanDerWaalsContact C-N 3.33Å; R217-L220 PolarHBondContact O-N 3.14Å; R217-G221 PolarHBondContact O-N 3.25Å; R217-Q222 HydrophobicContact CB-CB 4.31Å; R217-Q222 CarbonylContact O-C 3.58Å; R217-Q222 WeakPolarHBondContact O-CA 3.46Å; R217-Q222 PolarHBondContact O-N 2.53Å; R217-E225 HydrophobicContact CG-CB 4.37Å; R217-E225 IonicContact NE-OE2 3.97Å; R217-E225 IonicContact NH1-OE2 3.96Å; R217-K229 HydrophobicContact CG-CD 4.13Å; R217-K229 VanDerWaalsContact CG-CE 3.49Å; R217-D243 IonicContact CZ-OD1 3.27Å; R217-D243 VanDerWaalsContact CZ-OD1 3.27Å; R217-D243 IonicContact NE-OD1 3.07Å; R217-D243 PolarHBondContact NE-OD1 2.98Å; R217-D243 VanDerWaalsContact NE-OD1 3.07Å; R217-D243 IonicContact NH2-OD1 2.67Å; R217-D243 PolarHBondContact NH2-OD1 3.04Å
218F92.7Very high90.1Very high87 Ų8760.4 Ų60.438%0.38231%0.306SS..Hα-helixtrans-63.2-40.7172.9-69.5-61.5000111.5G214 L220 G221 W223 L227G214-F218 WeakPolarHBondContact O-CD2 3.34Å; G214-F218 PolarHBondContact O-N 2.9Å; F218-L220 VanDerWaalsContact C-N 3.32Å; F218-L220 PolarHBondContact O-N 3.23Å; F218-G221 PolarHBondContact O-N 2.81Å; F218-G221 VanDerWaalsContact O-N 3.15Å; F218-W223 HydrophobicContact CD1-CB 4.06Å; F218-W223 HydrophobicContact CE1-CB 4.09Å; F218-W223 WeakPolarHBondContact CE1-O 3.33Å; F218-L227 HydrophobicContact CZ-CB 4.49Å; F218-L227 HydrophobicContact CZ-CD1 4.44Å
219Y92.4Very high90Very high67 Ų6755.6 Ų55.626%0.26328%0.281SS..Hα-helixtrans-60.8-40175.8177.7-107.1000112.3Y198 K199 T202 A203 L206 A215 D216 R217 G221Y198-Y219 HydrophobicContact CD1-CE1 4.11Å; Y198-Y219 WeakPolarHBondContact CE1-O 3.07Å; K199-Y219 PolarHBondContact N-OH 3.34Å; T202-Y219 HydrophobicContact CG2-CE1 4.35Å; T202-Y219 HydrophobicContact CG2-CE2 4.11Å; A203-Y219 HydrophobicContact CB-CD1 3.97Å; A203-Y219 HydrophobicContact CB-CE1 4.04Å; L206-Y219 HydrophobicContact CD1-CD1 4.31Å; L206-Y219 HydrophobicContact CD1-CD2 4Å; L206-Y219 HydrophobicContact CD1-CG 3.73Å; A215-Y219 WeakPolarHBondContact O-CB 3.4Å; A215-Y219 PolarHBondContact O-N 3.14Å; D216-Y219 PolarHBondContact O-N 3.33Å; R217-Y219 VanDerWaalsContact C-N 3.33Å; Y219-G221 PolarHBondContact O-N 3.43Å
220L90.8Very high89.9Confident0 Ų054.3 Ų54.30%027%0.27CS..THydrogen-bonded Turntrans-79.63.1178.4-64176.9000114.4A203 D216 R217 F218 Q222 V252 P254 A255 Y260A203-L220 HydrophobicContact CB-CD2 4.26Å; D216-L220 WeakPolarHBondContact O-CG 3.43Å; D216-L220 PolarHBondContact O-N 3.29Å; D216-L220 VanDerWaalsContact O-N 3.13Å; R217-L220 PolarHBondContact O-N 3.14Å; F218-L220 VanDerWaalsContact C-N 3.32Å; F218-L220 PolarHBondContact O-N 3.23Å; L220-Q222 VanDerWaalsContact C-N 3.3Å; L220-Q222 HydrophobicContact CB-CG 4.48Å; L220-Q222 PolarHBondContact O-N 2.95Å; L220-V252 HydrophobicContact CD1-CG1 4.29Å; L220-P254 HydrophobicContact CD2-CG 4.22Å; L220-A255 WeakPolarHBondContact O-CB 3.43Å; L220-A255 PolarHBondContact O-N 3.04Å; L220-Y260 HydrophobicContact CD2-CE1 3.68Å; L220-Y260 VanDerWaalsContact CD2-OH 3.28Å; L220-Y260 WeakPolarHBondContact CD2-OH 3.19Å
221G89.9Confident89.8Confident36 Ų3658.1 Ų58.137%0.37128%0.284SS..THydrogen-bonded Turntrans80.14.6-177.600000114.8R217 F218 Y219 W223R217-G221 PolarHBondContact O-N 3.25Å; F218-G221 PolarHBondContact O-N 2.81Å; F218-G221 VanDerWaalsContact O-N 3.15Å; Y219-G221 PolarHBondContact O-N 3.43Å; G221-W223 VanDerWaalsContact C-N 3.27Å; G221-W223 PolarHBondContact O-N 2.94Å; G221-W223 VanDerWaalsContact O-N 3.09Å
222Q90.5Very high89.7Confident33 Ų3360.5 Ų60.515%0.15430%0.3CS..  trans-87.757.8-179.7-61.9172.49.800111.2R217 L220 R224 E225 G226 G253 A255R217-Q222 HydrophobicContact CB-CB 4.31Å; R217-Q222 CarbonylContact O-C 3.58Å; R217-Q222 WeakPolarHBondContact O-CA 3.46Å; R217-Q222 PolarHBondContact O-N 2.53Å; L220-Q222 VanDerWaalsContact C-N 3.3Å; L220-Q222 HydrophobicContact CB-CG 4.48Å; L220-Q222 PolarHBondContact O-N 2.95Å; Q222-R224 VanDerWaalsContact C-N 3.27Å; Q222-R224 PolarHBondContact O-N 3.04Å; Q222-E225 PolarHBondContact O-N 3.07Å; Q222-E225 PolarHBondContact OE1-OE2 3.01Å; Q222-G226 PolarHBondContact O-N 3.27Å; Q222-G226 VanDerWaalsContact O-N 3.09Å; Q222-G253 PolarHBondContact NE2-O 3.47Å; Q222-A255 HydrophobicContact CG-CB 4.03Å
223W90.7Very high89.5Confident164 Ų16468.6 Ų68.662%0.62133%0.329SS*.Hα-helixtrans-60.3-31.7-170.969.9-91000114.3F218 G221 G226 L227F218-W223 HydrophobicContact CD1-CB 4.06Å; F218-W223 HydrophobicContact CE1-CB 4.09Å; F218-W223 WeakPolarHBondContact CE1-O 3.33Å; G221-W223 VanDerWaalsContact C-N 3.27Å; G221-W223 PolarHBondContact O-N 2.94Å; G221-W223 VanDerWaalsContact O-N 3.09Å; W223-G226 PolarHBondContact O-N 3.46Å; W223-L227 WeakPolarHBondContact O-CB 3.28Å; W223-L227 PolarHBondContact O-N 3.14Å
224R92.3Very high88.6Confident194 Ų19462.4 Ų62.473%0.73230%0.302SS*.Hα-helixtrans-65.4-41.6179.3-64.9176.466.1-161.60.1111.8Q222 G228Q222-R224 VanDerWaalsContact C-N 3.27Å; Q222-R224 PolarHBondContact O-N 3.04Å; R224-G228 PolarHBondContact O-N 3.18Å
225E88.8Confident87.6Confident111 Ų11163.4 Ų63.452%0.51931%0.313SS..Hα-helixtrans-73.8-38.8177.4-65.1-177.8-175.300111.1R217 Q222 L227 G228 K229R217-E225 HydrophobicContact CG-CB 4.37Å; R217-E225 IonicContact NE-OE2 3.97Å; R217-E225 IonicContact NH1-OE2 3.96Å; Q222-E225 PolarHBondContact O-N 3.07Å; Q222-E225 PolarHBondContact OE1-OE2 3.01Å; E225-L227 VanDerWaalsContact C-N 3.29Å; E225-L227 PolarHBondContact O-N 3.1Å; E225-G228 PolarHBondContact O-N 2.83Å; E225-K229 PolarHBondContact O-N 3.18Å; E225-K229 VanDerWaalsContact O-N 3.14Å
226G89.2Confident86.9Confident0 Ų070.7 Ų70.70%035%0.347CS..Hα-helixtrans-57.3-41.9173.300000112.5Q222 W223 G228 K229 L230Q222-G226 PolarHBondContact O-N 3.27Å; Q222-G226 VanDerWaalsContact O-N 3.09Å; W223-G226 PolarHBondContact O-N 3.46Å; G226-G228 VanDerWaalsContact C-N 3.34Å; G226-G228 PolarHBondContact O-N 3.06Å; G226-K229 PolarHBondContact O-N 3.44Å; G226-L230 PolarHBondContact O-N 3.09Å
227L90.3Very high86.4Confident65 Ų6572.2 Ų72.234%0.3436%0.363SS..Hα-helixtrans-67.6-34.8178.4-155.770.7000112.5F218 W223 E225 K229 L230 F231F218-L227 HydrophobicContact CZ-CB 4.49Å; F218-L227 HydrophobicContact CZ-CD1 4.44Å; W223-L227 WeakPolarHBondContact O-CB 3.28Å; W223-L227 PolarHBondContact O-N 3.14Å; E225-L227 VanDerWaalsContact C-N 3.29Å; E225-L227 PolarHBondContact O-N 3.1Å; L227-K229 VanDerWaalsContact C-N 3.34Å; L227-L230 HydrophobicContact CD1-CD2 4.32Å; L227-L230 PolarHBondContact O-N 3.46Å; L227-F231 HydrophobicContact CD1-CE2 4.17Å; L227-F231 HydrophobicContact CD2-CD2 4.49Å; L227-F231 HydrophobicContact CD2-CE2 3.76Å; L227-F231 HydrophobicContact CG-CD2 3.94Å; L227-F231 HydrophobicContact CG-CE2 3.54Å; L227-F231 HydrophobicContact CG-CZ 4.46Å; L227-F231 VanDerWaalsContact O-CD2 3.22Å; L227-F231 WeakPolarHBondContact O-CD2 3.46Å; L227-F231 PolarHBondContact O-N 2.72Å
228G88.7Confident86.2Confident41 Ų4176.9 Ų76.942%0.42339%0.387SS..Hα-helixtrans-63-38.9173.500000112.9R224 E225 G226 S232R224-G228 PolarHBondContact O-N 3.18Å; E225-G228 PolarHBondContact O-N 2.83Å; G226-G228 VanDerWaalsContact C-N 3.34Å; G226-G228 PolarHBondContact O-N 3.06Å; G228-S232 WeakPolarHBondContact O-CB 3.44Å; G228-S232 PolarHBondContact O-N 3.2Å; G228-S232 VanDerWaalsContact O-N 3.13Å; G228-S232 PolarHBondContact O-OG 3.46Å
229K88.8Confident86Confident7 Ų778.4 Ų78.43%0.0339%0.391CS..Hα-helixtrans-66.2-41.6173.2-67.5-179.6-177.3-174.70112D216 R217 E225 G226 L227 S232 F233 G234 D243D216-K229 VanDerWaalsContact CG-NZ 3.27Å; D216-K229 IonicContact OD1-NZ 2.94Å; D216-K229 PolarHBondContact OD1-NZ 2.98Å; D216-K229 IonicContact OD2-NZ 2.81Å; D216-K229 PolarHBondContact OD2-NZ 3.49Å; R217-K229 HydrophobicContact CG-CD 4.13Å; R217-K229 VanDerWaalsContact CG-CE 3.49Å; E225-K229 PolarHBondContact O-N 3.18Å; E225-K229 VanDerWaalsContact O-N 3.14Å; G226-K229 PolarHBondContact O-N 3.44Å; L227-K229 VanDerWaalsContact C-N 3.34Å; K229-S232 WeakPolarHBondContact CA-OG 3.44Å; K229-S232 PolarHBondContact O-N 3.08Å; K229-S232 PolarHBondContact O-OG 2.87Å; K229-S232 VanDerWaalsContact O-OG 3.09Å; K229-F233 PolarHBondContact O-N 3.1Å; K229-G234 PolarHBondContact O-N 3.46Å; K229-D243 WeakPolarHBondContact CE-OD1 3.01Å; K229-D243 WeakPolarHBondContact CE-OD2 3.15Å; K229-D243 IonicContact NZ-OD1 2.95Å; K229-D243 PolarHBondContact NZ-OD1 3.14Å; K229-D243 IonicContact NZ-OD2 2.53Å; K229-D243 PolarHBondContact NZ-OD2 3.28Å
230L88.8Confident85.9Confident74 Ų7476.9 Ų76.939%0.38739%0.388SS..Hα-helixtrans-62.1-46.4179.8-168.370.1000111.8F213 G226 L227 S232 F233F213-L230 HydrophobicContact CB-CD1 4.27Å; F213-L230 HydrophobicContact CD1-CD1 4.05Å; G226-L230 PolarHBondContact O-N 3.09Å; L227-L230 HydrophobicContact CD1-CD2 4.32Å; L227-L230 PolarHBondContact O-N 3.46Å; L230-S232 VanDerWaalsContact C-N 3.34Å; L230-S232 PolarHBondContact O-N 3.11Å; L230-F233 PolarHBondContact O-N 3.11Å; L230-F233 VanDerWaalsContact O-N 3.16Å
231F87.6Confident85.9Confident155 Ų15583.2 Ų83.268%0.6842%0.421SS*.Hα-helixtrans-70.9-27178.6-74.2-56.5000114L227 F233L227-F231 HydrophobicContact CD1-CE2 4.17Å; L227-F231 HydrophobicContact CD2-CD2 4.49Å; L227-F231 HydrophobicContact CD2-CE2 3.76Å; L227-F231 HydrophobicContact CG-CD2 3.94Å; L227-F231 HydrophobicContact CG-CE2 3.54Å; L227-F231 HydrophobicContact CG-CZ 4.46Å; L227-F231 VanDerWaalsContact O-CD2 3.22Å; L227-F231 WeakPolarHBondContact O-CD2 3.46Å; L227-F231 PolarHBondContact O-N 2.72Å; F231-F233 PolarHBondContact O-N 3.24Å
232S83.6Confident86Confident51 Ų5185 Ų8536%0.35742%0.422SS..THydrogen-bonded Turntrans-83.88.5172.760.20000113.3G228 K229 L230 G234 G235G228-S232 WeakPolarHBondContact O-CB 3.44Å; G228-S232 PolarHBondContact O-N 3.2Å; G228-S232 VanDerWaalsContact O-N 3.13Å; G228-S232 PolarHBondContact O-OG 3.46Å; K229-S232 WeakPolarHBondContact CA-OG 3.44Å; K229-S232 PolarHBondContact O-N 3.08Å; K229-S232 PolarHBondContact O-OG 2.87Å; K229-S232 VanDerWaalsContact O-OG 3.09Å; L230-S232 VanDerWaalsContact C-N 3.34Å; L230-S232 PolarHBondContact O-N 3.11Å; S232-G234 PolarHBondContact O-N 2.89Å; S232-G234 VanDerWaalsContact O-N 3.13Å; S232-G235 PolarHBondContact O-N 3.2Å
233F80.8Confident86Confident191 Ų19183.6 Ų83.684%0.83842%0.415SS*.G310 helixtrans48.735.5-173.5-68.8-86.4000112.5K229 L230 F231 G235K229-F233 PolarHBondContact O-N 3.1Å; L230-F233 PolarHBondContact O-N 3.11Å; L230-F233 VanDerWaalsContact O-N 3.16Å; F231-F233 PolarHBondContact O-N 3.24Å; F233-G235 PolarHBondContact O-N 3.25Å
234G69.9Low86.1Confident1 Ų178 Ų781%0.0140%0.399CS..G310 helixtrans65.716.6-179.400000115G212 K229 S232 L236 G237G212-G234 WeakPolarHBondContact O-CA 3.45Å; G212-G234 PolarHBondContact O-N 3.32Å; K229-G234 PolarHBondContact O-N 3.46Å; S232-G234 PolarHBondContact O-N 2.89Å; S232-G234 VanDerWaalsContact O-N 3.13Å; G234-L236 VanDerWaalsContact C-N 3.34Å; G234-L236 PolarHBondContact O-N 3.19Å; G234-G237 PolarHBondContact O-N 2.67Å; G234-G237 VanDerWaalsContact O-N 3.11Å
235G68.1Low86.1Confident21 Ų2174.3 Ų74.322%0.21639%0.393CS..G310 helixtrans45.250.417500000114.4S232 F233 G237 I238S232-G235 PolarHBondContact O-N 3.2Å; F233-G235 PolarHBondContact O-N 3.25Å; G235-G237 PolarHBondContact O-N 3.43Å; G235-G237 VanDerWaalsContact O-N 3.08Å; G235-I238 PolarHBondContact O-N 3.25Å; G235-I238 VanDerWaalsContact O-N 3.15Å
236L78.8Confident86.2Confident179 Ų17971.5 Ų71.594%0.93738%0.382SS*.G310 helixtrans57.222.4176.3-59.5170.2000115.1G234G234-L236 VanDerWaalsContact C-N 3.34Å; G234-L236 PolarHBondContact O-N 3.19Å
237G80.6Confident86.3Confident32 Ų3271.5 Ų71.533%0.3338%0.382SS..G310 helixtrans91.8-017900000115.2G234 G235 T240 L241G234-G237 PolarHBondContact O-N 2.67Å; G234-G237 VanDerWaalsContact O-N 3.11Å; G235-G237 PolarHBondContact O-N 3.43Å; G235-G237 VanDerWaalsContact O-N 3.08Å; G237-T240 WeakPolarHBondContact CA-OG1 3.45Å; G237-T240 PolarHBondContact O-OG1 3.13Å; G237-L241 PolarHBondContact O-N 3.16Å
238I87.7Confident86.3Confident106 Ų10670.2 Ų70.254%0.54438%0.384SS..Hα-helixtrans-67.3-43173.5-66.4160.7000110.1G235 T240 L241 I242G235-I238 PolarHBondContact O-N 3.25Å; G235-I238 VanDerWaalsContact O-N 3.15Å; I238-T240 PolarHBondContact O-N 2.87Å; I238-L241 PolarHBondContact O-N 3.09Å; I238-I242 HydrophobicContact CG2-CD1 3.95Å; I238-I242 WeakPolarHBondContact O-CG1 3.22Å; I238-I242 PolarHBondContact O-N 3.13Å; I238-I242 VanDerWaalsContact O-N 3.11Å
239W88.4Confident86.5Confident119 Ų11973.6 Ų73.645%0.45140%0.396SS..Hα-helixtrans-58.9-48176.5-73.6101.4000111.1L241 I242 D243W239-L241 VanDerWaalsContact C-N 3.27Å; W239-L241 PolarHBondContact O-N 2.86Å; W239-I242 PolarHBondContact O-N 3.29Å; W239-I242 VanDerWaalsContact O-N 3.1Å; W239-D243 VanDerWaalsContact C-OD2 3.27Å; W239-D243 VanDerWaalsContact O-CG 3.29Å; W239-D243 PolarHBondContact O-N 3.14Å
240T89.3Confident86.3Confident34 Ų3475.3 Ų75.321%0.20942%0.415CS..Hα-helixtrans-57.2-40.5178.656.70000112.7G237 I238 D243 V244G237-T240 WeakPolarHBondContact CA-OG1 3.45Å; G237-T240 PolarHBondContact O-OG1 3.13Å; I238-T240 PolarHBondContact O-N 2.87Å; T240-D243 PolarHBondContact O-N 3.18Å; T240-V244 WeakPolarHBondContact O-CB 3.48Å; T240-V244 VanDerWaalsContact O-CG2 3.23Å; T240-V244 WeakPolarHBondContact O-CG2 3.26Å; T240-V244 PolarHBondContact O-N 3.15Å
241L91.2Very high86.2Confident133 Ų13380.7 Ų80.770%0.69643%0.432SS*.Hα-helixtrans-63.6-46.6177.5-170.580000111.6G237 I238 W239 V244 L245G237-L241 PolarHBondContact O-N 3.16Å; I238-L241 PolarHBondContact O-N 3.09Å; W239-L241 VanDerWaalsContact C-N 3.27Å; W239-L241 PolarHBondContact O-N 2.86Å; L241-V244 PolarHBondContact O-N 3.48Å; L241-L245 PolarHBondContact O-N 3.31Å; L241-L245 VanDerWaalsContact O-N 3.14Å
242I91Very high86.2Confident75 Ų7574.2 Ų74.239%0.38541%0.405SS..Hα-helixtrans-62.3-44.8178.7-66.3169.3000110.2I238 W239 L245 L246I238-I242 HydrophobicContact CG2-CD1 3.95Å; I238-I242 WeakPolarHBondContact O-CG1 3.22Å; I238-I242 PolarHBondContact O-N 3.13Å; I238-I242 VanDerWaalsContact O-N 3.11Å; W239-I242 PolarHBondContact O-N 3.29Å; W239-I242 VanDerWaalsContact O-N 3.1Å; I242-L245 PolarHBondContact O-N 2.97Å; I242-L246 HydrophobicContact CG2-CD1 3.68Å; I242-L246 HydrophobicContact CG2-CG 4.13Å; I242-L246 WeakPolarHBondContact O-CB 3.22Å; I242-L246 VanDerWaalsContact O-CG 3.28Å; I242-L246 WeakPolarHBondContact O-CG 3.38Å; I242-L246 PolarHBondContact O-N 3.34Å
243D90.4Very high86.3Confident3 Ų372.6 Ų72.62%0.01640%0.397CS..Hα-helixtrans-66.7-40.2-178.6-66.2-65.6000112.9S207 D216 R217 K229 W239 T240 L245 L246 I247S207-D243 WeakPolarHBondContact OG-CB 3.34Å; D216-D243 WeakPolarHBondContact OD2-CB 3.42Å; R217-D243 IonicContact CZ-OD1 3.27Å; R217-D243 VanDerWaalsContact CZ-OD1 3.27Å; R217-D243 IonicContact NE-OD1 3.07Å; R217-D243 PolarHBondContact NE-OD1 2.98Å; R217-D243 VanDerWaalsContact NE-OD1 3.07Å; R217-D243 IonicContact NH2-OD1 2.67Å; R217-D243 PolarHBondContact NH2-OD1 3.04Å; K229-D243 WeakPolarHBondContact CE-OD1 3.01Å; K229-D243 WeakPolarHBondContact CE-OD2 3.15Å; K229-D243 IonicContact NZ-OD1 2.95Å; K229-D243 PolarHBondContact NZ-OD1 3.14Å; K229-D243 IonicContact NZ-OD2 2.53Å; K229-D243 PolarHBondContact NZ-OD2 3.28Å; W239-D243 VanDerWaalsContact C-OD2 3.27Å; W239-D243 VanDerWaalsContact O-CG 3.29Å; W239-D243 PolarHBondContact O-N 3.14Å; T240-D243 PolarHBondContact O-N 3.18Å; D243-L245 VanDerWaalsContact C-N 3.3Å; D243-L245 PolarHBondContact O-N 3.19Å; D243-L246 PolarHBondContact O-N 3.38Å; D243-I247 WeakPolarHBondContact O-CB 3.28Å; D243-I247 VanDerWaalsContact O-CG1 3.3Å; D243-I247 WeakPolarHBondContact O-CG1 3.43Å; D243-I247 PolarHBondContact O-N 3.34Å
244V92.9Very high86.8Confident47 Ų4763.8 Ų63.829%0.28536%0.359SS..Hα-helixtrans-60.1-43.1174.5169.80000110.3S207 I208 T240 L241 G248S207-V244 WeakPolarHBondContact OG-CG2 3.41Å; S207-V244 PolarHBondContact OG-N 3.34Å; I208-V244 HydrophobicContact CG1-CG1 4.48Å; I208-V244 HydrophobicContact CG1-CG2 3.71Å; T240-V244 WeakPolarHBondContact O-CB 3.48Å; T240-V244 VanDerWaalsContact O-CG2 3.23Å; T240-V244 WeakPolarHBondContact O-CG2 3.26Å; T240-V244 PolarHBondContact O-N 3.15Å; L241-V244 PolarHBondContact O-N 3.48Å; V244-G248 WeakPolarHBondContact O-CA 3.4Å; V244-G248 PolarHBondContact O-N 3.34Å
245L93.7Very high87.6Confident116 Ų11666.4 Ų66.461%0.60738%0.38SS*.Hα-helixtrans-63.7-48.3175.7-179.865.7000111.6L241 I242 D243 G248 V249L241-L245 PolarHBondContact O-N 3.31Å; L241-L245 VanDerWaalsContact O-N 3.14Å; I242-L245 PolarHBondContact O-N 2.97Å; D243-L245 VanDerWaalsContact C-N 3.3Å; D243-L245 PolarHBondContact O-N 3.19Å; L245-G248 PolarHBondContact O-N 2.93Å; L245-V249 HydrophobicContact CD1-CG2 4.1Å; L245-V249 WeakPolarHBondContact O-CG2 3.21Å; L245-V249 PolarHBondContact O-N 3.26Å
246L91.1Very high88.4Confident52 Ų5269 Ų6927%0.27239%0.389SS..Hα-helixtrans-67-38.7-176.5-71.8178.1000113.3I242 D243 G250 Y251 V252I242-L246 HydrophobicContact CG2-CD1 3.68Å; I242-L246 HydrophobicContact CG2-CG 4.13Å; I242-L246 WeakPolarHBondContact O-CB 3.22Å; I242-L246 VanDerWaalsContact O-CG 3.28Å; I242-L246 WeakPolarHBondContact O-CG 3.38Å; I242-L246 PolarHBondContact O-N 3.34Å; D243-L246 PolarHBondContact O-N 3.38Å; L246-G250 PolarHBondContact O-N 3.42Å; L246-Y251 HydrophobicContact CD2-CD1 3.87Å; L246-Y251 HydrophobicContact CD2-CG 4.32Å; L246-Y251 PolarHBondContact O-N 3.23Å; L246-V252 HydrophobicContact CB-CG2 4.01Å; L246-V252 HydrophobicContact CD1-CG2 4.28Å; L246-V252 PolarHBondContact O-N 3.48Å
247I91.5Very high88.6Confident0 Ų060.9 Ų60.90%035%0.348CS..Hα-helixtrans-73.7-39.8174.4-65.5168000109.7W200 A203 L204 D216 D243 V249 G250W200-I247 PolarHBondContact NE1-O 3.13Å; A203-I247 HydrophobicContact CB-CG2 4.19Å; L204-I247 HydrophobicContact CB-CG2 4.22Å; D216-I247 HydrophobicContact CB-CD1 4.1Å; D243-I247 WeakPolarHBondContact O-CB 3.28Å; D243-I247 VanDerWaalsContact O-CG1 3.3Å; D243-I247 WeakPolarHBondContact O-CG1 3.43Å; D243-I247 PolarHBondContact O-N 3.34Å; I247-V249 PolarHBondContact O-N 3.27Å; I247-G250 PolarHBondContact O-N 3.2Å
248G90.2Very high88.9Confident37 Ų3759.4 Ų59.438%0.38133%0.333SS..Hα-helixtrans-58.6-44178.100000113.1V244 L245 G250V244-G248 WeakPolarHBondContact O-CA 3.4Å; V244-G248 PolarHBondContact O-N 3.34Å; L245-G248 PolarHBondContact O-N 2.93Å; G248-G250 PolarHBondContact O-N 2.98Å
249V91.3Very high88.9Confident112 Ų11257.6 Ų57.668%0.67932%0.324SS*.THydrogen-bonded Turntrans-78.3-9.6175.9179.50000112.1L245 I247 Y251L245-V249 HydrophobicContact CD1-CG2 4.1Å; L245-V249 WeakPolarHBondContact O-CG2 3.21Å; L245-V249 PolarHBondContact O-N 3.26Å; I247-V249 PolarHBondContact O-N 3.27Å; V249-Y251 VanDerWaalsContact C-N 3.26Å; V249-Y251 PolarHBondContact O-N 3.4Å
250G85.9Confident88.9Confident43 Ų4353.6 Ų53.644%0.44331%0.309SS..THydrogen-bonded Turntrans72.817.3-178.100000113.9L246 I247 G248 V252L246-G250 PolarHBondContact O-N 3.42Å; I247-G250 PolarHBondContact O-N 3.2Å; G248-G250 PolarHBondContact O-N 2.98Å; G250-V252 VanDerWaalsContact C-N 3.33Å
251Y86.4Confident88.9Confident187 Ų18758.3 Ų58.373%0.73333%0.332SS*.  trans-67.2-36.1177-176.2-99.1000111.5L246 V249L246-Y251 HydrophobicContact CD2-CD1 3.87Å; L246-Y251 HydrophobicContact CD2-CG 4.32Å; L246-Y251 PolarHBondContact O-N 3.23Å; V249-Y251 VanDerWaalsContact C-N 3.26Å; V249-Y251 PolarHBondContact O-N 3.4Å
252V87.5Confident88.8Confident20 Ų2054.6 Ų54.612%0.12131%0.313CS..SBendtrans-103.3118.9175.5-172.30000111.5L220 L246 G250 Y260L220-V252 HydrophobicContact CD1-CG1 4.29Å; L246-V252 HydrophobicContact CB-CG2 4.01Å; L246-V252 HydrophobicContact CD1-CG2 4.28Å; L246-V252 PolarHBondContact O-N 3.48Å; G250-V252 VanDerWaalsContact C-N 3.33Å; V252-Y260 PolarHBondContact O-OH 3.11Å
253G86.6Confident88.7Confident17 Ų1753.5 Ų53.518%0.17531%0.31CS..  trans-103.8179.7171.800000113.9Q222Q222-G253 PolarHBondContact NE2-O 3.47Å
254P89.9Confident88.6Confident6 Ų656.3 Ų56.34%0.03933%0.326CS..  trans-57.1146.8173.2-22.533.5000112.9Y198 L220 D256 G257 S258 Y260Y198-P254 HydrophobicContact CD1-CB 4.48Å; Y198-P254 HydrophobicContact CD2-CB 3.46Å; Y198-P254 VanDerWaalsContact CD2-CB 3.46Å; Y198-P254 HydrophobicContact CD2-CG 3.46Å; Y198-P254 VanDerWaalsContact CD2-CG 3.46Å; Y198-P254 HydrophobicContact CE2-CB 3.6Å; Y198-P254 HydrophobicContact CE2-CG 4.15Å; Y198-P254 HydrophobicContact CG-CB 3.92Å; Y198-P254 HydrophobicContact CG-CG 3.66Å; L220-P254 HydrophobicContact CD2-CG 4.22Å; P254-D256 PolarHBondContact O-N 3.14Å; P254-G257 PolarHBondContact O-N 3.43Å; P254-S258 WeakPolarHBondContact CD-O 3.17Å; P254-Y260 HydrophobicContact CG-CD1 4.38Å; P254-Y260 HydrophobicContact CG-CE1 4.09Å
255A87.3Confident88.3Confident56 Ų5656.9 Ų56.946%0.46333%0.328SS..THydrogen-bonded Turntrans-59.7-28.7179.700000113.3L220 Q222 G257L220-A255 WeakPolarHBondContact O-CB 3.43Å; L220-A255 PolarHBondContact O-N 3.04Å; Q222-A255 HydrophobicContact CG-CB 4.03Å; A255-G257 PolarHBondContact O-N 3.47Å
256D84.4Confident88Confident76 Ų7653.2 Ų53.241%0.40631%0.311SS..THydrogen-bonded Turntrans-73-4.5178-53-46.3000113.1W194 Y198 P254 S258W194-D256 HydrophobicContact CH2-CB 4.28Å; W194-D256 HydrophobicContact CZ3-CB 3.91Å; Y198-D256 WeakPolarHBondContact CE2-OD2 3.43Å; Y198-D256 PolarHBondContact OH-OD2 3.01Å; P254-D256 PolarHBondContact O-N 3.14Å; D256-S258 PolarHBondContact O-N 2.97Å
257G83.6Confident87.8Confident8 Ų853.3 Ų53.38%0.08231%0.314CS..  trans71.318-177.500000113.6T160 V161 P254 A255T160-G257 WeakPolarHBondContact CA-O 3.49Å; T160-G257 WeakPolarHBondContact CB-O 3.47Å; T160-G257 PolarHBondContact N-O 2.85Å; V161-G257 PolarHBondContact N-O 3.38Å; V161-G257 VanDerWaalsContact N-O 3.16Å; P254-G257 PolarHBondContact O-N 3.43Å; A255-G257 PolarHBondContact O-N 3.47Å
258S87.5Confident87.5Confident0 Ų057.1 Ų57.10%034%0.336CS..PPolyproline II helixtrans-79.2161.1177.981.50000112.5W194 G196 Y198 P254 D256W194-S258 VanDerWaalsContact CE3-CB 3.48Å; W194-S258 VanDerWaalsContact CZ3-CB 3.41Å; W194-S258 WeakPolarHBondContact O-CA 3.39Å; G196-S258 WeakPolarHBondContact CA-OG 3.43Å; G196-S258 PolarHBondContact N-OG 2.9Å; Y198-S258 WeakPolarHBondContact CD2-OG 3.45Å; P254-S258 WeakPolarHBondContact CD-O 3.17Å; D256-S258 PolarHBondContact O-N 2.97Å
259L87.1Confident87.3Confident68 Ų6858.6 Ų58.636%0.35633%0.333SS..BIsolated β-bridgetrans-83.3145.2174.2-152.3149.7000110.1T160 W194 T195T160-L259 HydrophobicContact CG2-CB 4.04Å; T160-L259 HydrophobicContact CG2-CD1 3.84Å; T160-L259 HydrophobicContact CG2-CG 4.48Å; W194-L259 PolarHBondContact O-N 3.09Å; W194-L259 VanDerWaalsContact O-N 3.1Å; T195-L259 HydrophobicContact CG2-CB 4.21Å
260Y88.1Confident87Confident35 Ų3554.2 Ų54.214%0.13730%0.304CS..PPolyproline II helixtrans-63154.6171.1-72.8-67.5000111.8Y198 W200 A203 L220 V252 P254Y198-Y260 CarbonylContact O-C 3.57Å; Y198-Y260 WeakPolarHBondContact O-CA 3.46Å; W200-Y260 HydrophobicContact CB-CD1 4.07Å; W200-Y260 HydrophobicContact CB-CD2 4.39Å; W200-Y260 HydrophobicContact CB-CG 3.89Å; A203-Y260 HydrophobicContact CB-CE1 4.25Å; L220-Y260 HydrophobicContact CD2-CE1 3.68Å; L220-Y260 VanDerWaalsContact CD2-OH 3.28Å; L220-Y260 WeakPolarHBondContact CD2-OH 3.19Å; V252-Y260 PolarHBondContact O-OH 3.11Å; P254-Y260 HydrophobicContact CG-CD1 4.38Å; P254-Y260 HydrophobicContact CG-CE1 4.09Å
261I89.4Confident87.1Confident134 Ų13455.2 Ų55.269%0.68729%0.291SS*.  trans-106.90171-54.1178.3000109.6T195 Y198 K199 W200T195-I261 HydrophobicContact CG2-CG1 4.13Å; Y198-I261 PolarHBondContact O-N 3.36Å; K199-I261 WeakPolarHBondContact CA-O 3.3Å; W200-I261 PolarHBondContact N-O 3.19Å

Retrieved 261 of 261 residues in 37.1 ms (Link to these results)