A0A096MUJ2_PAPAN Loading...

T-box transcription factor 22

AlphaFold DB , UniProt , Accession A0A096MUJ2, Species PAPAN (Papio anubis, Olive baboon), Gene TBX22, Length 519 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
1M39.4Very low47.8Very low245 Ų245138.1 Ų138.1100%1.20775%0.752SS**  0133.10-62.1168.7-172.700107.8
2A42.2Very low48Very low104 Ų104135.6 Ų135.686%0.8674%0.744SS**PPolyproline II helixtrans-91.4135.6176.300000110.2
3L41.8Very low48.4Very low167 Ų167134.6 Ų134.687%0.87473%0.731SS**PPolyproline II helixtrans-87.9146173-69.8173.2000110.4
4S49.5Very low49Very low83 Ų83129.8 Ų129.858%0.5872%0.718SS**PPolyproline II helixtrans-58.1139.2-174-1780000112.9R6 A7S4-R6 PolarHBondContact O-N 3.08Å; S4-A7 WeakPolarHBondContact O-CB 3.49Å; S4-A7 PolarHBondContact O-N 3.41Å
5S47.9Very low49.2Very low112 Ų112130.2 Ų130.278%0.78372%0.718SS**G310 helixtrans-53-28.2175.948.80000113.6A7 R8S5-A7 PolarHBondContact O-N 3.4Å; S5-R8 PolarHBondContact O-N 3.26Å
6R50.8Low49.8Very low221 Ų221128.5 Ų128.583%0.83471%0.712SS**G310 helixtrans-62.2-20.1177.3-160.1170.5-1731632.2113.8S4S4-R6 PolarHBondContact O-N 3.08Å
7A49.9Very low49.4Very low69 Ų69124.5 Ų124.557%0.5771%0.707SS**G310 helixtrans-79.6-18.3-17900000114.5S4 S5S4-A7 WeakPolarHBondContact O-CB 3.49Å; S4-A7 PolarHBondContact O-N 3.41Å; S5-A7 PolarHBondContact O-N 3.4Å
8R51Low49.3Very low211 Ų211128.2 Ų128.280%0.79671%0.708SS**G310 helixtrans-80.1-16.8-177.7-81.6-168.6171.6-177.7-2.4114.8S5 F10 S11S5-R8 PolarHBondContact O-N 3.26Å; R8-F10 PolarHBondContact O-N 3.35Å; R8-F10 VanDerWaalsContact O-N 3.09Å; R8-S11 PolarHBondContact O-N 3.4Å
9A51.3Low48.9Very low66 Ų66127.8 Ų127.855%0.54571%0.712SS.*G310 helixtrans-65.4-11.6-176.600000115
10F53.7Low48.3Very low178 Ų178127.5 Ų127.578%0.78172%0.718SS**G310 helixtrans-119.511.5-179.3-62.6-77.5000113.7R8R8-F10 PolarHBondContact O-N 3.35Å; R8-F10 VanDerWaalsContact O-N 3.09Å
11S48.4Very low48Very low63 Ų63130.5 Ų130.544%0.44172%0.724SS.*SBendtrans-76.2143.3171.5-169.60000110.5R8 E13 A14R8-S11 PolarHBondContact O-N 3.4Å; S11-E13 PolarHBondContact O-N 2.84Å; S11-E13 VanDerWaalsContact O-N 3.16Å; S11-A14 WeakPolarHBondContact O-CB 3.43Å; S11-A14 PolarHBondContact O-N 3.43Å
12V50.3Low47.6Very low108 Ų108129.9 Ų129.966%0.65571%0.708SS**Hα-helixtrans-57.6-34-178-178.40000111.9A14 L15 V16V12-A14 PolarHBondContact O-N 2.66Å; V12-L15 PolarHBondContact O-N 3.42Å; V12-L15 VanDerWaalsContact O-N 3.13Å; V12-V16 HydrophobicContact CG1-CG2 4.06Å; V12-V16 PolarHBondContact O-N 2.78Å
13E52.6Low47Very low123 Ų123134 Ų13458%0.57571%0.706SS**Hα-helixtrans-66.8-16.4177.2-166.4174.3-157.300114S11 R18S11-E13 PolarHBondContact O-N 2.84Å; S11-E13 VanDerWaalsContact O-N 3.16Å; E13-R18 IonicContact OE1-CZ 3.39Å; E13-R18 IonicContact OE1-NE 3.29Å; E13-R18 PolarHBondContact OE1-NE 3.24Å; E13-R18 IonicContact OE1-NH2 2.67Å; E13-R18 PolarHBondContact OE1-NH2 3.12Å
14A57.2Low46.5Very low67 Ų67135 Ų13555%0.55470%0.704SS**Hα-helixtrans-91.9-20.3173.400000113.3S11 V12S11-A14 WeakPolarHBondContact O-CB 3.43Å; S11-A14 PolarHBondContact O-N 3.43Å; V12-A14 PolarHBondContact O-N 2.66Å
15L51.5Low45.5Very low136 Ų136139.8 Ų139.871%0.71272%0.717SS**Hα-helixtrans-93.1-35177.7-85.9157.6000112.5V12 G17V12-L15 PolarHBondContact O-N 3.42Å; V12-L15 VanDerWaalsContact O-N 3.13Å; L15-G17 PolarHBondContact O-N 2.99Å
16V58.6Low44.7Very low103 Ų103140.2 Ų140.262%0.62471%0.711SS**SBendtrans-98.483.7175.1-172.40000108.6V12 R18V12-V16 HydrophobicContact CG1-CG2 4.06Å; V12-V16 PolarHBondContact O-N 2.78Å; V16-R18 PolarHBondContact O-N 3.21Å
17G43.8Very low43.8Very low61 Ų61135.8 Ų135.863%0.62971%0.711SS**  trans-54.7129.8178.900000112L15L15-G17 PolarHBondContact O-N 2.99Å
18R47.9Very low42.7Very low190 Ų190139.1 Ų139.172%0.71772%0.717SS**  trans-60.7135.4-178.7-67-176.7177-1620.9110.7E13 V16 S20E13-R18 IonicContact OE1-CZ 3.39Å; E13-R18 IonicContact OE1-NE 3.29Å; E13-R18 PolarHBondContact OE1-NE 3.24Å; E13-R18 IonicContact OE1-NH2 2.67Å; E13-R18 PolarHBondContact OE1-NH2 3.12Å; V16-R18 PolarHBondContact O-N 3.21Å; R18-S20 PolarHBondContact O-N 2.98Å
19P41.4Very low41.6Very low122 Ų122136.6 Ų136.679%0.79272%0.715SS**  trans-71.5101.7175.828.4-33.8000110.6K21P19-K21 PolarHBondContact O-N 3.28Å
20S37.1Very low40.6Very low120 Ų120140.8 Ų140.884%0.83972%0.723SS**  trans-6794.5175.5-69.70000111.5R18R18-S20 PolarHBondContact O-N 2.98Å
21K41.1Very low39.3Very low191 Ų191140.9 Ų140.983%0.8373%0.726SS**  trans-70.9154.7157.6-72-172.7174.7-175.60109.9P19P19-K21 PolarHBondContact O-N 3.28Å
22R30.7Very low38.2Very low233 Ų233145.5 Ų145.588%0.87974%0.74SS**  trans91.6135.2-173-56.5163-177.1-1741.4112
23K30Very low37.6Very low189 Ų189146 Ų14682%0.82275%0.746SS**  cis-154.2157.5-2.7-123.3178.8179.2-165.90109.8
24F31.5Very low36.5Very low188 Ų188147.6 Ų147.683%0.82575%0.753SS**  trans-61.9142.4161.6-114.9-105.5000109.6
25Q28.8Very low35.1Very low185 Ų185150.5 Ų150.586%0.86476%0.759SS**  trans-156120.2164.3-159.6157.87.300108.6
26D31.1Very low34Very low120 Ų120152.1 Ų152.164%0.64276%0.763SS**  trans-86.2159-168-41.4-83.9000112.5
27P32.3Very low32.6Very low128 Ų128154.5 Ų154.583%0.83177%0.767SS**  trans-123.5139.8142.135-25.9000111.8
28I26.9Very low31.9Very low139 Ų139160.9 Ų160.971%0.71378%0.778SS**  trans-126.4143.2175.6-75.8176.9000108.1
29Q28.1Very low30.9Very low158 Ų158160.8 Ų160.874%0.73878%0.782SS**  trans64.9140178.1-70.7166.2-83.600114.9
30E29Very low30.1Very low155 Ų155158.4 Ų158.472%0.72478%0.78SS**  cis-139.6171.3-4.6-104.1140-164.700106.9
31E26Very low29.7Very low180 Ų180155.7 Ų155.784%0.84177%0.771SS**  cis-156.8170.422.6-151173.2-174.800109.8
32Q27.2Very low29.1Very low159 Ų159155.3 Ų155.374%0.74377%0.772SS**  trans-132.5154.9169.7-95.7-160.314.500111
33P36.9Very low29.1Very low118 Ų118152.2 Ų152.277%0.76677%0.768SS**  -120.1149.597.6-3.124.7000112.2
34E29.5Very low29.1Very low157 Ų157151.7 Ų151.773%0.73477%0.768SS**  52.5136.771.5-70.4-159.6148.800114.6
35L28.5Very low28.9Very low129 Ų129150.7 Ų150.768%0.67577%0.766SS**  cis-141.9-175.916.7-145.265.1000107.7
36Q27.4Very low29Very low169 Ų169147.6 Ų147.679%0.7975%0.752SS**  cis-156170.19.6-170.4168.76900110.7
37E28.5Very low29Very low153 Ų153150.3 Ų150.372%0.71575%0.753SS**  trans-88.6159.2-176.1-46167.490.600116.5
38K29.9Very low29Very low195 Ų195154.4 Ų154.485%0.84875%0.752SS**  -176.3133115-95.8168.6-179.8179.20109.1
39K27.4Very low29.1Very low188 Ų188153 Ų15382%0.81775%0.754SS**  cis78.2122.740.4-169.3178.7-173.11690112.5
40G25Very low29.2Very low73 Ų73150.3 Ų150.375%0.75375%0.753SS**  cis171.5-175.5-1.800000111.9
41G27.4Very low29.3Very low62 Ų62147.7 Ų147.764%0.63976%0.758SS**  trans92.7144.5175.900000115.1
42E29.4Very low29.5Very low184 Ų184144 Ų14486%0.8676%0.759SS**  cis73.1133.128.7-57.8159173.600112.1
43E30.9Very low29.5Very low167 Ų167139.8 Ų139.878%0.7876%0.757SS**  cis-152.9145.46.3-110.2161.2-178.300108.8
44E28.6Very low29.2Very low179 Ų179144.1 Ų144.184%0.83676%0.764SS**  82.6151.999.7-161.8166.2-120.100118.5
45E28.3Very low29.2Very low166 Ų166142 Ų14278%0.77677%0.767SS**  trans81.1179.1161.5-117.3-158.3163.300123.3
46E30.9Very low29.2Very low120 Ų120143.1 Ų143.156%0.56177%0.769SS**  trans-143.6141.1-139.2-173.7-125.7144.800112.3
47R31.6Very low29.7Very low177 Ų177140.7 Ų140.767%0.66877%0.768SS**  trans157143.2131.3-85.6159.1-171174.78.1116.3
48R31.2Very low29.6Very low214 Ų214139.3 Ų139.381%0.80876%0.764SS**  trans34.6143.5131.4-54.8175.9-173.3-154.4-1119.1
49S30Very low29.5Very low110 Ų110136.6 Ų136.677%0.76976%0.755SS**  cis-172.2-178.21.252.20000107.4
50S30Very low29.4Very low102 Ų102135.8 Ų135.871%0.71375%0.751SS**  cis-172.8164.528.352.40000111.8
51A30.9Very low29.6Very low100 Ų100140.3 Ų140.383%0.82675%0.753SS**  trans59.9153.9154.700000120.1
52A29.9Very low29.8Very low103 Ų103143.5 Ų143.585%0.85176%0.762SS**  cis-163160.8-21.300000107.9
53G27Very low29.6Very low70 Ų70143.3 Ų143.372%0.72276%0.758SS**  cis177.5-168.8-2.900000111.7
54K31.1Very low29.3Very low209 Ų209140 Ų14091%0.90975%0.75SS**  trans27.5139.9155.1-69.7-176.4177.2-177.50121
55S28.9Very low29.2Very low113 Ų113139.5 Ų139.579%0.7975%0.748SS**  cis-165.3160.33.639.20000113.4
56E29.8Very low29.1Very low152 Ų152136.5 Ų136.571%0.7175%0.745SS**  trans-72.3171172.2-142.3-165.5-101.600112.7L58E56-L58 PolarHBondContact OE2-N 3.48Å
57P36.5Very low29Very low118 Ų118136 Ų13677%0.76675%0.754SS**  -149.9138.883.136.3-16.1000118.8
58L26.7Very low28.8Very low124 Ų124134 Ų13465%0.64976%0.763SS**  64.4131.1121.6-142.982.7000124.9E56E56-L58 PolarHBondContact OE2-N 3.48Å
59E27Very low28.5Very low138 Ų138130.7 Ų130.765%0.64577%0.766SS**  trans68.7154.7144.9-89.5-176.5-175.500122
60K27.3Very low28.6Very low170 Ų170130 Ų13074%0.73977%0.767SS**  cis-158.9-172.8-19.9-138.9168.3-152.6160.30111
61Q28.5Very low28.7Very low168 Ų168130.4 Ų130.479%0.78577%0.77SS**  trans-65.2168.8174.3-67.7-175.7-27.800114.2
62P31.8Very low28.8Very low130 Ų130132 Ų13284%0.84478%0.775SS**  -134.9-177.8112.740-31.9000114.9
63K24.5Very low28.7Very low179 Ų179130.8 Ų130.878%0.77877%0.772SS**  trans-149.6149-172.5-147.3-163.4-178.4-172.50109.8
64T24.6Very low28.8Very low99 Ų99134.3 Ų134.361%0.60778%0.784SS**  trans77.8123144.3-69.10000122
65E26.8Very low28.9Very low167 Ų167127.6 Ų127.678%0.7878%0.775SS**  trans72.6108.5143.5-77.4157.2-138.600126.6
66S26.1Very low29.2Very low104 Ų104128 Ų12873%0.72778%0.777SS**  93.2156.2110.382.70000124.5
67S29.6Very low29.3Very low108 Ų108127.4 Ų127.476%0.75578%0.779SS**  trans95.1100.6153.773.30000122.6
68T26.7Very low29.3Very low137 Ų137126.9 Ų126.984%0.8478%0.778SS**  21.2133.5126-41.30000122.6
69T25.7Very low29.6Very low143 Ų143124.7 Ų124.788%0.87779%0.786SS**  trans-164.5162.6136.1-75.50000109.5
70A30.7Very low30.2Very low96 Ų96126.6 Ų126.679%0.79380%0.8SS**  trans-135.1157.9-168.600000115.9
71S33.1Very low30.5Very low111 Ų111121.3 Ų121.378%0.77679%0.794SS**  trans-157.3128.4164.351.30000107.8
72S32.6Very low30.7Very low133 Ų133120.6 Ų120.693%0.9380%0.796SS**  82106.954.8-167.30000113.4
73G27.1Very low31Very low77 Ų77122.3 Ų122.379%0.79480%0.796SS**  trans166144.7178.200000111.5
74C30.3Very low31.5Very low144 Ų144118.1 Ų118.197%0.97379%0.789SS**  trans-147.2145.2-172.3179.70000111.8
75G31.8Very low32.1Very low69 Ų69122 Ų12271%0.71180%0.801SS**  trans163.8132169.300000114.5
76S35.7Very low32.4Very low120 Ų120118.4 Ų118.484%0.83979%0.794SS**  trans-59.8173177.1-43.90000113.8
77D32.1Very low33Very low140 Ų140121 Ų12175%0.74980%0.799SS**  cis-161.2161.229.5-165.816.8000114.8
78S37.6Very low33.4Very low107 Ų107123.4 Ų123.475%0.74880%0.799SS**  trans33.2116.1153.6-67.10000121.2
79G32.2Very low34.6Very low78 Ų78124.7 Ų124.780%0.80480%0.795SS**  trans-155.9112.6159.400000110.4
80D39.9Very low36.4Very low178 Ų178125 Ų12595%0.95278%0.784SS**  trans-70.7144-176.7-167.811000111.8
81G32.6Very low39Very low60 Ų60126.4 Ų126.462%0.61978%0.778SS**  trans-178.684.2-165.900000113.8I83G81-I83 PolarHBondContact O-N 3.48Å
82N32.8Very low41.7Very low153 Ų153121.9 Ų121.982%0.81875%0.745SS**  trans-2.2106.7166.8-70.1-39.7000116.1S84N82-S84 PolarHBondContact O-N 3.01Å
83I38.3Very low44.6Very low165 Ų165121.2 Ų121.285%0.84673%0.727SS**  trans-69.384.4150.7-56.6174.8000106.8G81 E85G81-I83 PolarHBondContact O-N 3.48Å; I83-E85 PolarHBondContact O-N 3.29Å
84S35.5Very low47.9Very low91 Ų91118.5 Ų118.564%0.63669%0.694SS**  trans-58.9120148.555.20000106.8N82 S86N82-S84 PolarHBondContact O-N 3.01Å; S84-S86 PolarHBondContact O-N 3.03Å
85E37.9Very low51Low180 Ų180115.6 Ų115.684%0.84167%0.666SS**  trans-61.392156.5-72.1-174.1124.600106.7I83 L87I83-E85 PolarHBondContact O-N 3.29Å; E85-L87 VanDerWaalsContact C-N 3.26Å; E85-L87 PolarHBondContact O-N 3.18Å
86S32.3Very low54.1Low93 Ų93112.8 Ų112.865%0.6564%0.635SS**  trans-61.2100.7161.954.10000105.5S84 E88S84-S86 PolarHBondContact O-N 3.03Å; S86-E88 VanDerWaalsContact C-N 3.27Å; S86-E88 PolarHBondContact O-N 2.9Å
87L37.7Very low57Low159 Ų159108.9 Ų108.983%0.83260%0.603SS**  trans-52.2101.6162.4-70.6170.7000105.8E85 E89E85-L87 VanDerWaalsContact C-N 3.26Å; E85-L87 PolarHBondContact O-N 3.18Å; L87-E89 PolarHBondContact O-N 3.41Å
88E39.3Very low59.9Low158 Ų158104.3 Ų104.374%0.73859%0.589SS**  trans-62.896.4169.6-72.4-169.915900105.9S86 K90S86-E88 VanDerWaalsContact C-N 3.27Å; S86-E88 PolarHBondContact O-N 2.9Å; E88-K90 PolarHBondContact O-N 3.25Å
89E52.4Low62.7Low163 Ų163101.2 Ų101.276%0.76257%0.568SS**  trans-5996.3166.1-75.5-158.8178.300106.7L87 D91L87-E89 PolarHBondContact O-N 3.41Å; E89-D91 PolarHBondContact O-N 2.85Å
90K62.6Low65.8Low150 Ų150102.2 Ų102.265%0.65255%0.552SS**  trans-60.6103.7-175-75.6171.1-175166.80107.9E88 I92E88-K90 PolarHBondContact O-N 3.25Å; K90-I92 PolarHBondContact O-N 3.02Å; K90-I92 VanDerWaalsContact O-N 3.1Å
91D84.4Confident68.4Low125 Ų12595.9 Ų95.967%0.66852%0.517SS*.  trans-61.5120.6-169.4-141.4-5.5000108.5E89 Q93E89-D91 PolarHBondContact O-N 2.85Å; D91-Q93 PolarHBondContact O-N 3.04Å; D91-Q93 VanDerWaalsContact O-N 3.08Å
92I90.8Very high71.5Confident16 Ų1693.1 Ų93.18%0.08249%0.489CS..  trans-74.6110.4-169-71.1170.2000107K90 V129 K130 G131 L132 K247 F249K90-I92 PolarHBondContact O-N 3.02Å; K90-I92 VanDerWaalsContact O-N 3.1Å; I92-V129 HydrophobicContact CG2-CG1 3.79Å; I92-K130 CarbonylContact C-O 3.55Å; I92-K130 WeakPolarHBondContact CA-O 3.41Å; I92-G131 WeakPolarHBondContact CG1-O 3.31Å; I92-L132 HydrophobicContact CD1-CD2 3.68Å; I92-L132 HydrophobicContact CG1-CD2 4.02Å; I92-L132 HydrophobicContact CG2-CD2 3.66Å; I92-K247 HydrophobicContact CB-CD 4.08Å; I92-K247 HydrophobicContact CD1-CD 3.84Å; I92-K247 HydrophobicContact CG1-CD 4.29Å; I92-F249 HydrophobicContact CB-CZ 4.24Å; I92-F249 HydrophobicContact CG2-CE2 4.22Å; I92-F249 HydrophobicContact CG2-CZ 3.82Å; I92-F249 WeakPolarHBondContact O-CE1 3.3Å; I92-F249 WeakPolarHBondContact O-CZ 3.43Å
93Q93.6Very high74.6Confident120 Ų12090.2 Ų90.256%0.56147%0.469SS*.EExtended strand (participates in β ladder)trans-97.1137-176.2-68.2175.312.600110.5D91 V129 K130D91-Q93 PolarHBondContact O-N 3.04Å; D91-Q93 VanDerWaalsContact O-N 3.08Å; Q93-V129 CarbonylContact O-C 3.54Å; Q93-V129 WeakPolarHBondContact O-CA 3.46Å; Q93-K130 HydrophobicContact CB-CB 4.37Å; Q93-K130 PolarHBondContact N-O 3.17Å; Q93-K130 PolarHBondContact O-N 3.1Å
94M95.4Very high77.4Confident20 Ų2088.6 Ų88.610%0.09945%0.452CS..EExtended strand (participates in β ladder)trans-123.8126.7175.7-167.2178.3-73.800111.6V127 K128 V129 V224 V226 F249 F251M94-V127 HydrophobicContact CE-CG2 4.37Å; M94-V127 HydrophobicContact CG-CB 3.73Å; M94-V127 HydrophobicContact CG-CG1 4.03Å; M94-V127 HydrophobicContact CG-CG2 4.22Å; M94-V127 HydrophobicContact SD-CB 3.85Å; M94-V127 HydrophobicContact SD-CG1 3.79Å; M94-V127 HydrophobicContact SD-CG2 3.88Å; M94-K128 WeakPolarHBondContact CA-O 3.41Å; M94-V129 HydrophobicContact CE-CG2 3.87Å; M94-V129 HydrophobicContact CG-CG2 4.4Å; M94-V224 HydrophobicContact CE-CB 4.12Å; M94-V224 HydrophobicContact CE-CG1 3.63Å; M94-V224 HydrophobicContact SD-CB 3.71Å; M94-V224 HydrophobicContact SD-CG1 3.75Å; M94-V224 HydrophobicContact SD-CG2 4.34Å; M94-V226 HydrophobicContact CE-CG2 3.71Å; M94-F249 HydrophobicContact CB-CB 4.14Å; M94-F249 HydrophobicContact CB-CD1 3.73Å; M94-F249 HydrophobicContact CB-CD2 4.11Å; M94-F249 HydrophobicContact CB-CE1 4.19Å; M94-F249 HydrophobicContact CB-CG 3.69Å; M94-F249 HydrophobicContact CE-CB 4.29Å; M94-F249 HydrophobicContact CE-CD2 3.37Å; M94-F249 HydrophobicContact CE-CE2 3.96Å; M94-F249 HydrophobicContact CE-CG 3.97Å; M94-F249 HydrophobicContact CG-CB 4.48Å; M94-F249 HydrophobicContact CG-CG 4.39Å; M94-F249 HydrophobicContact SD-CB 3.67Å; M94-F249 HydrophobicContact SD-CD2 3.92Å; M94-F249 HydrophobicContact SD-CG 3.89Å; M94-F251 HydrophobicContact CB-CZ 4.37Å; M94-F251 HydrophobicContact CG-CZ 4.13Å; M94-F251 HydrophobicContact SD-CE2 4.38Å; M94-F251 HydrophobicContact SD-CZ 4.5Å
95E96.3Very high80.4Confident82 Ų8284.3 Ų84.338%0.38342%0.422SS..EExtended strand (participates in β ladder)trans-116114-172.3-172.2-167.312500110.8Q97 V127 K128 K130E95-Q97 VanDerWaalsContact CD-NE2 3.35Å; E95-Q97 PolarHBondContact O-N 2.75Å; E95-Q97 PolarHBondContact O-NE2 2.73Å; E95-Q97 PolarHBondContact OE1-NE2 3.44Å; E95-V127 WeakPolarHBondContact O-CA 3.5Å; E95-K128 HydrophobicContact CB-CB 4.45Å; E95-K128 PolarHBondContact N-O 2.94Å; E95-K128 PolarHBondContact O-N 2.75Å; E95-K130 VanDerWaalsContact OE2-CE 3.31Å; E95-K130 WeakPolarHBondContact OE2-CE 3.49Å; E95-K130 IonicContact OE2-NZ 3.56Å; E95-K130 PolarHBondContact OE2-NZ 2.82Å
96L96.9Very high83.2Confident10 Ų1079.3 Ų79.35%0.05240%0.398CS..EExtended strand (participates in β ladder)trans-67.4111.5179.3-179.167.6000111.6S99 W102 F251 E253 T254L96-S99 PolarHBondContact O-N 2.88Å; L96-W102 HydrophobicContact CD2-CB 4.29Å; L96-W102 HydrophobicContact CD2-CG 4.16Å; L96-F251 HydrophobicContact CB-CD1 3.86Å; L96-F251 HydrophobicContact CB-CD2 4.13Å; L96-F251 HydrophobicContact CB-CE1 3.83Å; L96-F251 HydrophobicContact CB-CE2 4.11Å; L96-F251 HydrophobicContact CB-CG 4.02Å; L96-F251 HydrophobicContact CB-CZ 3.96Å; L96-F251 HydrophobicContact CD1-CD2 4.15Å; L96-F251 HydrophobicContact CD1-CE2 4.42Å; L96-F251 HydrophobicContact CD2-CB 4.02Å; L96-F251 HydrophobicContact CD2-CD1 4.43Å; L96-F251 HydrophobicContact CD2-CD2 4.43Å; L96-F251 HydrophobicContact CD2-CG 4.04Å; L96-F251 HydrophobicContact CG-CD2 4.47Å; L96-F251 HydrophobicContact CG-CG 4.44Å; L96-E253 HydrophobicContact CD2-CG 3.58Å; L96-T254 HydrophobicContact CD1-CG2 4.01Å; L96-T254 HydrophobicContact CD2-CG2 3.7Å
97Q96.8Very high86.2Confident38 Ų3880.6 Ų80.618%0.17840%0.398CS..THydrogen-bonded Turntrans-80.3122.7-177.4-63.7-59.4-57.200111.3E95 R126 K128 I193E95-Q97 VanDerWaalsContact CD-NE2 3.35Å; E95-Q97 PolarHBondContact O-N 2.75Å; E95-Q97 PolarHBondContact O-NE2 2.73Å; E95-Q97 PolarHBondContact OE1-NE2 3.44Å; Q97-R126 HydrophobicContact CB-CB 4Å; Q97-R126 PolarHBondContact N-O 2.67Å; Q97-K128 HydrophobicContact CG-CB 4.16Å; Q97-I193 HydrophobicContact CB-CG2 4.12Å; Q97-I193 HydrophobicContact CG-CD1 3.97Å; Q97-I193 HydrophobicContact CG-CG1 4.06Å; Q97-I193 HydrophobicContact CG-CG2 3.76Å
98G93.7Very high89Confident44 Ų4475.5 Ų75.545%0.45437%0.371SS..THydrogen-bonded Turntrans80.827.2-173.100000113.8E100 L101 W102G98-E100 PolarHBondContact O-N 3.48Å; G98-L101 WeakPolarHBondContact O-CB 3.48Å; G98-L101 PolarHBondContact O-N 3.39Å; G98-W102 PolarHBondContact O-N 3.36Å
99S95.2Very high91.6Very high43 Ų4369.1 Ų69.130%0.30135%0.348SS..Hα-helixtrans-50.7-36178.154.50000114.3L96 L101 W102 K103L96-S99 PolarHBondContact O-N 2.88Å; S99-L101 VanDerWaalsContact C-N 3.32Å; S99-L101 PolarHBondContact O-N 2.7Å; S99-W102 WeakPolarHBondContact O-CB 3.25Å; S99-W102 PolarHBondContact O-N 2.76Å; S99-W102 VanDerWaalsContact O-N 3.12Å; S99-K103 WeakPolarHBondContact O-CG 3.29Å; S99-K103 PolarHBondContact O-N 3.31Å
100E96.8Very high93.8Very high98 Ų9861.5 Ų61.546%0.45831%0.312SS..Hα-helixtrans-56.6-41.9172.6174.360-167.100112.5G98 W102 K103 R104G98-E100 PolarHBondContact O-N 3.48Å; E100-W102 VanDerWaalsContact C-N 3.34Å; E100-K103 PolarHBondContact O-N 2.89Å; E100-R104 WeakPolarHBondContact O-CG 3.4Å; E100-R104 PolarHBondContact O-N 3.41Å; E100-R104 VanDerWaalsContact O-N 3.13Å; E100-R104 IonicContact OE1-CZ 3.53Å; E100-R104 IonicContact OE1-NE 2.64Å; E100-R104 PolarHBondContact OE1-NE 2.8Å; E100-R104 IonicContact OE1-NH2 2.62Å; E100-R104 PolarHBondContact OE1-NH2 2.95Å
101L96.3Very high95.5Very high45 Ų4554.4 Ų54.424%0.23628%0.281CS..Hα-helixtrans-68.7-35.4177.1-178.962.4000111.5G98 S99 F105 F122 P123 R274G98-L101 WeakPolarHBondContact O-CB 3.48Å; G98-L101 PolarHBondContact O-N 3.39Å; S99-L101 VanDerWaalsContact C-N 3.32Å; S99-L101 PolarHBondContact O-N 2.7Å; L101-F105 HydrophobicContact CD1-CD2 4.26Å; L101-F105 HydrophobicContact CD1-CE2 3.87Å; L101-F105 HydrophobicContact CG-CD2 4.3Å; L101-F105 HydrophobicContact CG-CE2 4.14Å; L101-F105 VanDerWaalsContact O-CD2 3.29Å; L101-F105 WeakPolarHBondContact O-CD2 3.5Å; L101-F105 PolarHBondContact O-N 3.43Å; L101-F122 HydrophobicContact CD2-CZ 4.32Å; L101-P123 HydrophobicContact CD2-CB 4.22Å; L101-P123 HydrophobicContact CD2-CG 3.93Å; L101-P123 HydrophobicContact CG-CG 3.9Å; L101-R274 HydrophobicContact CD1-CB 4.02Å; L101-R274 HydrophobicContact CD1-CG 3.84Å
102W97.5Very high96.1Very high3 Ų348.6 Ų48.61%0.01125%0.25CS..Hα-helixtrans-65.3-45.1174.2-81.2102.4000111.8L96 G98 S99 E100 R104 F105 H106 T110 M112 P123 V125 E253 T254L96-W102 HydrophobicContact CD2-CB 4.29Å; L96-W102 HydrophobicContact CD2-CG 4.16Å; G98-W102 PolarHBondContact O-N 3.36Å; S99-W102 WeakPolarHBondContact O-CB 3.25Å; S99-W102 PolarHBondContact O-N 2.76Å; S99-W102 VanDerWaalsContact O-N 3.12Å; E100-W102 VanDerWaalsContact C-N 3.34Å; W102-R104 PolarHBondContact O-N 2.63Å; W102-F105 PolarHBondContact O-N 3.28Å; W102-H106 WeakPolarHBondContact O-CB 3.37Å; W102-H106 PolarHBondContact O-N 3.28Å; W102-T110 HydrophobicContact CZ3-CG2 4.33Å; W102-M112 HydrophobicContact CH2-CE 3.54Å; W102-M112 HydrophobicContact CZ3-CE 3.76Å; W102-P123 HydrophobicContact CD2-CB 4.28Å; W102-P123 HydrophobicContact CD2-CG 4.18Å; W102-P123 HydrophobicContact CZ2-CB 3.9Å; W102-P123 HydrophobicContact CZ2-CG 4.45Å; W102-P123 WeakPolarHBondContact CZ2-O 3.24Å; W102-V125 HydrophobicContact CH2-CG2 4.17Å; W102-V125 HydrophobicContact CZ2-CG2 3.82Å; W102-E253 HydrophobicContact CB-CB 4.19Å; W102-E253 HydrophobicContact CB-CG 3.88Å; W102-T254 HydrophobicContact CD2-CG2 3.85Å; W102-T254 HydrophobicContact CE3-CG2 3.98Å; W102-T254 HydrophobicContact CG-CG2 4.28Å; W102-T254 HydrophobicContact CH2-CG2 4.42Å; W102-T254 HydrophobicContact CZ2-CG2 4.34Å; W102-T254 HydrophobicContact CZ3-CG2 4.25Å
103K97.4Very high96.5Very high92 Ų9249 Ų4940%0.425%0.253SS..Hα-helixtrans-54.5-50.1174.2-71171.2-177.8-179.80111.6S99 E100 F105 H106 D107 E253S99-K103 WeakPolarHBondContact O-CG 3.29Å; S99-K103 PolarHBondContact O-N 3.31Å; E100-K103 PolarHBondContact O-N 2.89Å; K103-F105 PolarHBondContact O-N 2.87Å; K103-F105 VanDerWaalsContact O-N 3.1Å; K103-H106 CarbonylContact O-C 3.51Å; K103-H106 WeakPolarHBondContact O-CA 3.38Å; K103-H106 WeakPolarHBondContact O-CB 3.31Å; K103-H106 PolarHBondContact O-N 3.07Å; K103-D107 PolarHBondContact O-N 3.15Å; K103-D107 VanDerWaalsContact O-OD2 3.13Å; K103-E253 HydrophobicContact CG-CB 4.13Å
104R97.3Very high96.7Very high131 Ų13143.4 Ų43.449%0.49423%0.226SC..Hα-helixtrans-58.7-25.9176.3-61.6-61.9177.51510.8114.8E100 W102 I108 L270E100-R104 WeakPolarHBondContact O-CG 3.4Å; E100-R104 PolarHBondContact O-N 3.41Å; E100-R104 VanDerWaalsContact O-N 3.13Å; E100-R104 IonicContact OE1-CZ 3.53Å; E100-R104 IonicContact OE1-NE 2.64Å; E100-R104 PolarHBondContact OE1-NE 2.8Å; E100-R104 IonicContact OE1-NH2 2.62Å; E100-R104 PolarHBondContact OE1-NH2 2.95Å; W102-R104 PolarHBondContact O-N 2.63Å; R104-I108 WeakPolarHBondContact O-CD1 3.48Å; R104-I108 WeakPolarHBondContact O-CG1 3.11Å; R104-L270 HydrophobicContact CB-CD2 4.13Å; R104-L270 WeakPolarHBondContact O-CD2 3.45Å
105F97.1Very high96.7Very high0 Ų044.7 Ų44.70%024%0.236CC..Hα-helixtrans-82.8-39.2170.7-82.8-67.6000112.1L101 W102 K103 I108 G109 T110 F122 P123 I267 L270 K271L101-F105 HydrophobicContact CD1-CD2 4.26Å; L101-F105 HydrophobicContact CD1-CE2 3.87Å; L101-F105 HydrophobicContact CG-CD2 4.3Å; L101-F105 HydrophobicContact CG-CE2 4.14Å; L101-F105 VanDerWaalsContact O-CD2 3.29Å; L101-F105 WeakPolarHBondContact O-CD2 3.5Å; L101-F105 PolarHBondContact O-N 3.43Å; W102-F105 PolarHBondContact O-N 3.28Å; K103-F105 PolarHBondContact O-N 2.87Å; K103-F105 VanDerWaalsContact O-N 3.1Å; F105-I108 PolarHBondContact O-N 2.7Å; F105-G109 CarbonylContact O-C 3.51Å; F105-G109 PolarHBondContact O-N 2.92Å; F105-G109 VanDerWaalsContact O-N 3.1Å; F105-T110 VanDerWaalsContact C-OG1 3.23Å; F105-T110 HydrophobicContact CB-CG2 4.1Å; F105-T110 PolarHBondContact O-N 3.35Å; F105-T110 PolarHBondContact O-OG1 2.98Å; F105-F122 HydrophobicContact CE2-CD1 4.37Å; F105-F122 AromaticContact CE2-CE1 3.92Å; F105-F122 HydrophobicContact CE2-CE1 3.92Å; F105-F122 HydrophobicContact CZ-CD1 4.26Å; F105-F122 AromaticContact CZ-CE1 3.96Å; F105-F122 HydrophobicContact CZ-CE1 3.96Å; F105-P123 HydrophobicContact CD2-CG 3.56Å; F105-P123 HydrophobicContact CE2-CG 3.7Å; F105-I267 HydrophobicContact CD1-CD1 3.98Å; F105-I267 HydrophobicContact CD1-CG2 4.43Å; F105-I267 HydrophobicContact CE1-CG2 4.33Å; F105-L270 HydrophobicContact CD1-CD2 3.68Å; F105-L270 HydrophobicContact CD1-CG 4.28Å; F105-L270 HydrophobicContact CD2-CD2 4.23Å; F105-L270 HydrophobicContact CE1-CB 3.87Å; F105-L270 HydrophobicContact CE1-CD2 3.6Å; F105-L270 HydrophobicContact CE1-CG 3.67Å; F105-L270 HydrophobicContact CE2-CD2 4.18Å; F105-L270 HydrophobicContact CE2-CG 4.21Å; F105-L270 HydrophobicContact CG-CD2 3.98Å; F105-L270 HydrophobicContact CZ-CB 4.16Å; F105-L270 HydrophobicContact CZ-CD2 3.86Å; F105-L270 HydrophobicContact CZ-CG 3.63Å; F105-K271 HydrophobicContact CD1-CD 4.47Å; F105-K271 HydrophobicContact CE1-CD 3.56Å; F105-K271 HydrophobicContact CE1-CG 3.88Å; F105-K271 HydrophobicContact CZ-CD 3.72Å; F105-K271 HydrophobicContact CZ-CG 4.22Å
106H96.8Very high96.7Very high76 Ų7648.2 Ų48.235%0.35225%0.249SC..Hα-helixtrans-62.7-44178.5-171.983.9000112.1W102 K103 I108 G109 T110 K252 E253W102-H106 WeakPolarHBondContact O-CB 3.37Å; W102-H106 PolarHBondContact O-N 3.28Å; K103-H106 CarbonylContact O-C 3.51Å; K103-H106 WeakPolarHBondContact O-CA 3.38Å; K103-H106 WeakPolarHBondContact O-CB 3.31Å; K103-H106 PolarHBondContact O-N 3.07Å; H106-I108 PolarHBondContact O-N 2.96Å; H106-I108 VanDerWaalsContact O-N 3.12Å; H106-G109 PolarHBondContact O-N 3.08Å; H106-T110 PolarHBondContact N-OG1 2.81Å; H106-K252 PolarHBondContact CE1-O 2.64Å; H106-K252 PolarHBondContact ND1-O 2.93Å; H106-E253 HydrophobicContact CB-CB 4.33Å
107D96.6Very high96.6Very high120 Ų12051.1 Ų51.164%0.64228%0.275SS*.THydrogen-bonded Turntrans-56.1-29177.7-57.8-28.7000112.9K103K103-D107 PolarHBondContact O-N 3.15Å; K103-D107 VanDerWaalsContact O-OD2 3.13Å
108I95.2Very high96.6Very high51 Ų5149.8 Ų49.826%0.26227%0.271SS..THydrogen-bonded Turntrans-98.3-11.6-178.9-55176.1000111.2R104 F105 H106 N264 Q266 I267 L270R104-I108 WeakPolarHBondContact O-CD1 3.48Å; R104-I108 WeakPolarHBondContact O-CG1 3.11Å; F105-I108 PolarHBondContact O-N 2.7Å; H106-I108 PolarHBondContact O-N 2.96Å; H106-I108 VanDerWaalsContact O-N 3.12Å; I108-N264 VanDerWaalsContact CG2-ND2 3.31Å; I108-N264 WeakPolarHBondContact CG2-ND2 3.4Å; I108-N264 PolarHBondContact O-ND2 3.37Å; I108-Q266 HydrophobicContact CG2-CB 3.68Å; I108-I267 HydrophobicContact CB-CD1 3.67Å; I108-I267 HydrophobicContact CB-CG1 4.49Å; I108-I267 HydrophobicContact CG2-CD1 3.47Å; I108-I267 VanDerWaalsContact CG2-CD1 3.47Å; I108-I267 HydrophobicContact CG2-CG1 3.74Å; I108-L270 HydrophobicContact CD1-CD2 3.95Å
109G95.6Very high96.7Very high25 Ų2554 Ų5426%0.25827%0.273SS..  trans84.990.7-170.500000112.2F105 H106 E111 I267F105-G109 CarbonylContact O-C 3.51Å; F105-G109 PolarHBondContact O-N 2.92Å; F105-G109 VanDerWaalsContact O-N 3.1Å; H106-G109 PolarHBondContact O-N 3.08Å; G109-E111 PolarHBondContact O-N 3.34Å; G109-I267 VanDerWaalsContact O-CD1 3.29Å; G109-I267 WeakPolarHBondContact O-CD1 3.5Å
110T97.7Very high96.8Very high3 Ų357.9 Ų57.92%0.01828%0.281CS..  trans-54.6123.6-175.7-50.60000112.4W102 F105 H106 M112 E255 F256 T257W102-T110 HydrophobicContact CZ3-CG2 4.33Å; F105-T110 VanDerWaalsContact C-OG1 3.23Å; F105-T110 HydrophobicContact CB-CG2 4.1Å; F105-T110 PolarHBondContact O-N 3.35Å; F105-T110 PolarHBondContact O-OG1 2.98Å; H106-T110 PolarHBondContact N-OG1 2.81Å; T110-M112 HydrophobicContact CG2-CE 4.06Å; T110-E255 WeakPolarHBondContact CB-O 3.48Å; T110-E255 PolarHBondContact OG1-O 2.62Å; T110-F256 HydrophobicContact CG2-CB 3.67Å; T110-F256 CarbonylContact O-C 3.55Å; T110-F256 VanDerWaalsContact O-CA 3.24Å; T110-F256 WeakPolarHBondContact O-CA 3.16Å; T110-F256 WeakPolarHBondContact O-CB 3.45Å; T110-T257 PolarHBondContact O-N 3.26Å
111E98Very high96.8Very high0 Ų053.9 Ų53.90%026%0.263CS..EExtended strand (participates in β ladder)trans-106.2141.8169.6-59.8179.3-162.500111.9G109 W161 T257 V259 Y262 Q263 N264 I267 K271G109-E111 PolarHBondContact O-N 3.34Å; E111-W161 HydrophobicContact CG-CZ2 4.01Å; E111-T257 WeakPolarHBondContact CA-O 3.31Å; E111-V259 HydrophobicContact CB-CG2 4.04Å; E111-Y262 HydrophobicContact CB-CD1 3.93Å; E111-Y262 HydrophobicContact CB-CE1 4.24Å; E111-Y262 WeakPolarHBondContact OE2-CA 3.38Å; E111-Y262 WeakPolarHBondContact OE2-CD1 3.44Å; E111-Q263 PolarHBondContact OE1-N 3.33Å; E111-Q263 PolarHBondContact OE2-N 3.17Å; E111-N264 WeakPolarHBondContact OE1-CB 3.27Å; E111-N264 PolarHBondContact OE1-N 3.38Å; E111-I267 HydrophobicContact CB-CG2 4.08Å; E111-I267 HydrophobicContact CG-CG1 4.31Å; E111-I267 HydrophobicContact CG-CG2 4.45Å; E111-K271 WeakPolarHBondContact O-CE 3.41Å; E111-K271 PolarHBondContact O-NZ 2.86Å
112M98.1Very high96.9Very high3 Ų353.4 Ų53.42%0.01526%0.259CS..EExtended strand (participates in β ladder)trans-124.4127.9172.8-67.3-63.7-173.500111.2W102 T110 M121 L201 F256 T257 V259W102-M112 HydrophobicContact CH2-CE 3.54Å; W102-M112 HydrophobicContact CZ3-CE 3.76Å; T110-M112 HydrophobicContact CG2-CE 4.06Å; M112-M121 HydrophobicContact CE-CB 4.14Å; M112-M121 HydrophobicContact SD-CB 4.12Å; M112-M121 HydrophobicContact SD-CG 4.41Å; M112-L201 HydrophobicContact CB-CD1 4.04Å; M112-F256 HydrophobicContact CB-CD2 3.64Å; M112-F256 HydrophobicContact CB-CE2 3.9Å; M112-F256 HydrophobicContact CB-CG 4.19Å; M112-F256 HydrophobicContact CE-CD1 4.43Å; M112-F256 HydrophobicContact CG-CB 3.86Å; M112-F256 HydrophobicContact CG-CD1 3.92Å; M112-F256 HydrophobicContact CG-CD2 3.48Å; M112-F256 VanDerWaalsContact CG-CD2 3.48Å; M112-F256 HydrophobicContact CG-CE1 4.32Å; M112-F256 HydrophobicContact CG-CE2 3.91Å; M112-F256 HydrophobicContact CG-CG 3.49Å; M112-F256 VanDerWaalsContact CG-CG 3.49Å; M112-F256 HydrophobicContact CG-CZ 4.32Å; M112-T257 PolarHBondContact N-O 3.08Å; M112-V259 PolarHBondContact O-N 2.76Å
113I98Very high96.8Very high26 Ų2653.6 Ų53.613%0.13326%0.261CS..EExtended strand (participates in β ladder)trans-76128.7178.1-63.8-78.7000110T115 R119 V259 Y262I113-T115 HydrophobicContact CG2-CG2 3.91Å; I113-R119 HydrophobicContact CB-CG 4.17Å; I113-R119 HydrophobicContact CG2-CG 4.03Å; I113-R119 WeakPolarHBondContact O-CB 3.43Å; I113-R119 WeakPolarHBondContact O-CG 3.42Å; I113-V259 CarbonylContact C-O 3.4Å; I113-V259 VanDerWaalsContact CA-O 3.27Å; I113-V259 WeakPolarHBondContact CA-O 3.49Å; I113-V259 HydrophobicContact CD1-CG2 4.01Å; I113-Y262 HydrophobicContact CD1-CD1 3.99Å; I113-Y262 HydrophobicContact CD1-CD2 4.13Å; I113-Y262 HydrophobicContact CD1-CE1 4.01Å; I113-Y262 HydrophobicContact CD1-CE2 4.15Å; I113-Y262 HydrophobicContact CD1-CG 4.05Å; I113-Y262 HydrophobicContact CG1-CD1 4.1Å; I113-Y262 HydrophobicContact CG1-CD2 4.37Å; I113-Y262 HydrophobicContact CG1-CE1 3.58Å; I113-Y262 HydrophobicContact CG1-CE2 3.89Å; I113-Y262 HydrophobicContact CG1-CG 4.46Å; I113-Y262 VanDerWaalsContact CG1-CZ 3.46Å
114I97.3Very high96.8Very high1 Ų150.5 Ų50.51%0.00525%0.251CS..  trans-113.3141.1171.565.5174.4000110.9L201 N203 L214 T258 V259I114-L201 HydrophobicContact CG2-CB 3.73Å; I114-L201 HydrophobicContact CG2-CD1 4.35Å; I114-N203 HydrophobicContact CB-CB 4.48Å; I114-N203 HydrophobicContact CD1-CB 3.63Å; I114-N203 HydrophobicContact CG1-CB 3.94Å; I114-L214 WeakPolarHBondContact CD1-O 3.27Å; I114-T258 HydrophobicContact CG2-CG2 3.94Å; I114-V259 PolarHBondContact N-O 3Å
115T97Very high96.8Very high48 Ų4844.4 Ų44.429%0.29423%0.228SC..  trans-146155.9-179.571.40000112.2I113 A117 G118 R119 T202 N203I113-T115 HydrophobicContact CG2-CG2 3.91Å; T115-A117 PolarHBondContact O-N 3.12Å; T115-G118 PolarHBondContact O-N 3.21Å; T115-R119 HydrophobicContact CG2-CB 4.34Å; T115-T202 WeakPolarHBondContact O-CA 3.3Å; T115-T202 PolarHBondContact O-OG1 2.69Å; T115-T202 VanDerWaalsContact O-OG1 3.09Å; T115-N203 WeakPolarHBondContact CA-OD1 3.2Å
116K94.9Very high96.8Very high155 Ų15548.8 Ų48.867%0.67425%0.245SC*.THydrogen-bonded Turntrans-56-25-179.2-175.3172.3-175.9176.90114.6N203 N204K116-N203 PolarHBondContact N-OD1 2.81Å; K116-N204 HydrophobicContact CG-CB 4.17Å
117A95.5Very high96.8Very high72 Ų7245.2 Ų45.260%0.59523%0.228SC*.THydrogen-bonded Turntrans-93.50.7179.200000114.1T115 K200 H211T115-A117 PolarHBondContact O-N 3.12Å; A117-K200 PolarHBondContact O-NZ 3.48Å; A117-H211 PolarHBondContact O-CE1 2.81Å
118G96.1Very high96.8Very high9 Ų943.2 Ų43.29%0.09321%0.214CC..  trans75.6121.1-174.200000113T115 K200 L201T115-G118 PolarHBondContact O-N 3.21Å; G118-K200 WeakPolarHBondContact O-CD 3.37Å; G118-K200 VanDerWaalsContact O-CE 3.28Å; G118-K200 WeakPolarHBondContact O-CE 3.43Å; G118-L201 WeakPolarHBondContact CA-O 3.48Å
119R97.4Very high96.8Very high132 Ų13240.8 Ų40.850%0.49820%0.201SC..EExtended strand (participates in β ladder)trans-111.3133.2-179.6-175.568.3177-170.7-1.4110.7I113 T115 K200 L201I113-R119 HydrophobicContact CB-CG 4.17Å; I113-R119 HydrophobicContact CG2-CG 4.03Å; I113-R119 WeakPolarHBondContact O-CB 3.43Å; I113-R119 WeakPolarHBondContact O-CG 3.42Å; T115-R119 HydrophobicContact CG2-CB 4.34Å; R119-K200 CarbonylContact O-C 3.6Å; R119-K200 VanDerWaalsContact O-CA 3.3Å; R119-K200 WeakPolarHBondContact O-CA 3.41Å; R119-L201 PolarHBondContact N-O 2.75Å; R119-L201 PolarHBondContact O-N 3.44Å
120R97Very high96.8Very high125 Ų12543.4 Ų43.447%0.47221%0.206SC..EExtended strand (participates in β ladder)trans-68142.8174.7-68.2173.8173-131.511.1111D197 M199 K200R120-D197 WeakPolarHBondContact CD-O 3.23Å; R120-D197 WeakPolarHBondContact CG-O 3.45Å; R120-D197 IonicContact CZ-OD2 3.63Å; R120-D197 PolarHBondContact NE-O 2.87Å; R120-D197 PolarHBondContact NH1-O 2.97Å; R120-D197 IonicContact NH1-OD2 3.53Å; R120-D197 PolarHBondContact NH1-OD2 2.8Å; R120-M199 WeakPolarHBondContact CA-O 3.35Å; R120-K200 HydrophobicContact CG-CG 4.12Å
121M96.7Very high96.6Very high14 Ų1444.6 Ų44.67%0.06922%0.218CC..  trans-66.4149.6173.7-64-171.7-64.500111.6M112 P123 V125 M199 L201 F256M112-M121 HydrophobicContact CE-CB 4.14Å; M112-M121 HydrophobicContact SD-CB 4.12Å; M112-M121 HydrophobicContact SD-CG 4.41Å; M121-P123 CarbonylContact C-O 3.58Å; M121-V125 HydrophobicContact CE-CB 4.43Å; M121-V125 HydrophobicContact CE-CG2 3.82Å; M121-M199 HydrophobicContact CE-CE 3.48Å; M121-M199 VanDerWaalsContact CE-CE 3.48Å; M121-M199 HydrophobicContact CE-CG 4.43Å; M121-M199 HydrophobicContact CE-SD 3.55Å; M121-M199 VanDerWaalsContact CE-SD 3.55Å; M121-M199 HydrophobicContact SD-CE 3.77Å; M121-L201 HydrophobicContact CG-CD1 3.74Å; M121-L201 HydrophobicContact CG-CD2 4.49Å; M121-L201 HydrophobicContact CG-CG 3.94Å; M121-L201 HydrophobicContact SD-CD1 4.17Å; M121-L201 HydrophobicContact SD-CD2 4.45Å; M121-L201 HydrophobicContact SD-CG 4.46Å; M121-F256 HydrophobicContact SD-CE1 4.22Å; M121-F256 HydrophobicContact SD-CZ 4.47Å
122F97.2Very high96.3Very high35 Ų3545 Ų4515%0.15422%0.22CC..SBendtrans-143.1121.5165-176.4-90.4000110.5L101 F105 K271 R274 N275L101-F122 HydrophobicContact CD2-CZ 4.32Å; F105-F122 HydrophobicContact CE2-CD1 4.37Å; F105-F122 AromaticContact CE2-CE1 3.92Å; F105-F122 HydrophobicContact CE2-CE1 3.92Å; F105-F122 HydrophobicContact CZ-CD1 4.26Å; F105-F122 AromaticContact CZ-CE1 3.96Å; F105-F122 HydrophobicContact CZ-CE1 3.96Å; F122-K271 HydrophobicContact CD1-CD 3.86Å; F122-K271 PolarHBondContact O-NZ 3.16Å; F122-R274 HydrophobicContact CE1-CB 4.08Å; F122-R274 VanDerWaalsContact CZ-C 3.46Å; F122-R274 HydrophobicContact CZ-CB 4.03Å; F122-R274 WeakPolarHBondContact CZ-O 3.37Å; F122-N275 HydrophobicContact CD1-CB 3.87Å; F122-N275 HydrophobicContact CD2-CB 3.98Å; F122-N275 HydrophobicContact CE1-CB 3.76Å; F122-N275 HydrophobicContact CE2-CB 3.88Å; F122-N275 HydrophobicContact CG-CB 3.99Å; F122-N275 VanDerWaalsContact CZ-CA 3.43Å; F122-N275 HydrophobicContact CZ-CB 3.78Å
123P96.9Very high96.1Very high7 Ų748 Ų485%0.04524%0.237CC..SBendcis-61.2159.3-1.2-18.732.4000112.5L101 W102 F105 M121L101-P123 HydrophobicContact CD2-CB 4.22Å; L101-P123 HydrophobicContact CD2-CG 3.93Å; L101-P123 HydrophobicContact CG-CG 3.9Å; W102-P123 HydrophobicContact CD2-CB 4.28Å; W102-P123 HydrophobicContact CD2-CG 4.18Å; W102-P123 HydrophobicContact CZ2-CB 3.9Å; W102-P123 HydrophobicContact CZ2-CG 4.45Å; W102-P123 WeakPolarHBondContact CZ2-O 3.24Å; F105-P123 HydrophobicContact CD2-CG 3.56Å; F105-P123 HydrophobicContact CE2-CG 3.7Å; M121-P123 CarbonylContact C-O 3.58Å
124S96.3Very high95.8Very high28 Ų2850.3 Ų50.320%0.19625%0.253CS..PPolyproline II helixtrans-76.8144.2168.248.70000109.5R126S124-R126 PolarHBondContact O-N 3.4Å
125V97.2Very high95.5Very high2 Ų253.4 Ų53.41%0.01229%0.285CS..PPolyproline II helixtrans-70.1123.3168.5179.60000107W102 M121 V127 I142 F196 P222 V224W102-V125 HydrophobicContact CH2-CG2 4.17Å; W102-V125 HydrophobicContact CZ2-CG2 3.82Å; M121-V125 HydrophobicContact CE-CB 4.43Å; M121-V125 HydrophobicContact CE-CG2 3.82Å; V125-V127 HydrophobicContact CG1-CG1 4.28Å; V125-I142 HydrophobicContact CB-CD1 3.9Å; V125-I142 HydrophobicContact CG1-CD1 3.94Å; V125-I142 HydrophobicContact CG2-CD1 4.02Å; V125-F196 HydrophobicContact CB-CB 4.41Å; V125-F196 HydrophobicContact CB-CD2 4.12Å; V125-F196 HydrophobicContact CG1-CD2 3.98Å; V125-F196 PolarHBondContact O-N 2.81Å; V125-P222 HydrophobicContact CG2-CB 4.41Å; V125-P222 HydrophobicContact CG2-CG 4.15Å; V125-V224 HydrophobicContact CG1-CG2 4.04Å
126R97Very high95.2Very high93 Ų9355.2 Ų55.235%0.35129%0.289SS..EExtended strand (participates in β ladder)trans-136129-179.4-66.3177.668-140.21.1108Q97 S124 I193 I194Q97-R126 HydrophobicContact CB-CB 4Å; Q97-R126 PolarHBondContact N-O 2.67Å; S124-R126 PolarHBondContact O-N 3.4Å; R126-I193 HydrophobicContact CB-CG2 4.02Å; R126-I194 VanDerWaalsContact CA-O 3.26Å; R126-I194 WeakPolarHBondContact CA-O 3.34Å
127V97.3Very high95.1Very high0 Ų051.6 Ų51.60%027%0.274CS..EExtended strand (participates in β ladder)trans-134.6148.2-173.8-62.60000111.2M94 E95 V125 I194 F196 V224 F251M94-V127 HydrophobicContact CE-CG2 4.37Å; M94-V127 HydrophobicContact CG-CB 3.73Å; M94-V127 HydrophobicContact CG-CG1 4.03Å; M94-V127 HydrophobicContact CG-CG2 4.22Å; M94-V127 HydrophobicContact SD-CB 3.85Å; M94-V127 HydrophobicContact SD-CG1 3.79Å; M94-V127 HydrophobicContact SD-CG2 3.88Å; E95-V127 WeakPolarHBondContact O-CA 3.5Å; V125-V127 HydrophobicContact CG1-CG1 4.28Å; V127-I194 HydrophobicContact CG2-CB 3.93Å; V127-I194 HydrophobicContact CG2-CD1 4.46Å; V127-I194 PolarHBondContact N-O 3.39Å; V127-I194 PolarHBondContact O-N 3.09Å; V127-F196 HydrophobicContact CG2-CE2 4.4Å; V127-V224 HydrophobicContact CG1-CG2 4.34Å; V127-V224 HydrophobicContact CG2-CG1 4.38Å; V127-F251 HydrophobicContact CG1-CE2 4.06Å
128K96.8Very high94.9Very high79 Ų7948.5 Ų48.534%0.34325%0.247SC..EExtended strand (participates in β ladder)trans-112.9128.7167.5-175.4174.8-177175.90108.2M94 E95 Q97M94-K128 WeakPolarHBondContact CA-O 3.41Å; E95-K128 HydrophobicContact CB-CB 4.45Å; E95-K128 PolarHBondContact N-O 2.94Å; E95-K128 PolarHBondContact O-N 2.75Å; Q97-K128 HydrophobicContact CG-CB 4.16Å
129V95.6Very high94.8Very high0 Ų049.3 Ų49.30%025%0.248CC..EExtended strand (participates in β ladder)trans-103.2149.6-179.9-164.70000109.5I92 Q93 M94 L132 I194I92-V129 HydrophobicContact CG2-CG1 3.79Å; Q93-V129 CarbonylContact O-C 3.54Å; Q93-V129 WeakPolarHBondContact O-CA 3.46Å; M94-V129 HydrophobicContact CE-CG2 3.87Å; M94-V129 HydrophobicContact CG-CG2 4.4Å; V129-L132 HydrophobicContact CB-CD1 4.32Å; V129-L132 HydrophobicContact CG1-CD1 3.93Å; V129-L132 HydrophobicContact CG1-CD2 3.85Å; V129-L132 HydrophobicContact CG1-CG 3.79Å; V129-I194 HydrophobicContact CG2-CD1 3.75Å
130K95.1Very high94.6Very high80 Ų8043 Ų4335%0.34822%0.224SC..EExtended strand (participates in β ladder)trans-141.7154.1175.9-53.9170.6-165.61610108.7I92 Q93 E95I92-K130 CarbonylContact C-O 3.55Å; I92-K130 WeakPolarHBondContact CA-O 3.41Å; Q93-K130 HydrophobicContact CB-CB 4.37Å; Q93-K130 PolarHBondContact N-O 3.17Å; Q93-K130 PolarHBondContact O-N 3.1Å; E95-K130 VanDerWaalsContact OE2-CE 3.31Å; E95-K130 WeakPolarHBondContact OE2-CE 3.49Å; E95-K130 IonicContact OE2-NZ 3.56Å; E95-K130 PolarHBondContact OE2-NZ 2.82Å
131G93.2Very high94.5Very high28 Ų2837.1 Ų37.129%0.28920%0.202SC..SBendtrans84.26176.700000115.5I92 M190I92-G131 WeakPolarHBondContact CG1-O 3.31Å; G131-M190 PolarHBondContact N-SD 3.07Å; G131-M190 VanDerWaalsContact N-SD 3.39Å
132L92.5Very high94.4Very high7 Ų736.5 Ų36.54%0.03720%0.199CC..  trans-68.1151.3169.9-55.4-178.6000110.5I92 V129 P134 Y138 W189 M190 V226I92-L132 HydrophobicContact CD1-CD2 3.68Å; I92-L132 HydrophobicContact CG1-CD2 4.02Å; I92-L132 HydrophobicContact CG2-CD2 3.66Å; V129-L132 HydrophobicContact CB-CD1 4.32Å; V129-L132 HydrophobicContact CG1-CD1 3.93Å; V129-L132 HydrophobicContact CG1-CD2 3.85Å; V129-L132 HydrophobicContact CG1-CG 3.79Å; L132-P134 WeakPolarHBondContact O-CD 3.43Å; L132-Y138 HydrophobicContact CB-CD2 4.36Å; L132-Y138 HydrophobicContact CB-CE2 3.91Å; L132-Y138 HydrophobicContact CD1-CD2 4.27Å; L132-Y138 HydrophobicContact CD2-CE1 4.41Å; L132-Y138 HydrophobicContact CD2-CE2 4.44Å; L132-W189 HydrophobicContact CD1-CB 3.64Å; L132-W189 HydrophobicContact CD1-CG 4.34Å; L132-M190 HydrophobicContact CB-CE 4.08Å; L132-M190 HydrophobicContact CB-CG 4.19Å; L132-M190 HydrophobicContact CB-SD 4.02Å; L132-M190 HydrophobicContact CD1-CG 4.22Å; L132-M190 HydrophobicContact CG-CG 4.19Å; L132-M190 HydrophobicContact CG-SD 4.46Å; L132-M190 PolarHBondContact N-SD 3.05Å; L132-M190 WeakPolarHBondContact O-CE 3.4Å; L132-V226 HydrophobicContact CD2-CG1 3.85Å
133D92.3Very high94.2Very high68 Ų6835.5 Ų35.536%0.36420%0.195SC..  trans-69.4121.5168.8-174.1-26.7000109.6G135 K136 Y138 G186D133-G135 PolarHBondContact O-N 3.22Å; D133-G135 PolarHBondContact OD1-N 3.1Å; D133-K136 HydrophobicContact CB-CB 4.07Å; D133-K136 HydrophobicContact CB-CD 3.91Å; D133-K136 HydrophobicContact CB-CG 3.88Å; D133-K136 PolarHBondContact O-N 3.34Å; D133-K136 VanDerWaalsContact OD2-CE 3.31Å; D133-K136 WeakPolarHBondContact OD2-CE 3.38Å; D133-K136 WeakPolarHBondContact OD2-CG 3.33Å; D133-Y138 PolarHBondContact N-OH 2.85Å; D133-G186 WeakPolarHBondContact O-CA 3.5Å
134P93.3Very high94.1Very high74 Ų7436 Ų3648%0.48120%0.198SC..THydrogen-bonded Turntrans-57.2-32.8177.7-26.236.4000114.3L132 E187 M190L132-P134 WeakPolarHBondContact O-CD 3.43Å; P134-E187 HydrophobicContact CB-CB 4.04Å; P134-E187 HydrophobicContact CB-CG 4.27Å; P134-M190 HydrophobicContact CG-CE 4.27Å
135G90.6Very high94Very high65 Ų6536.6 Ų36.667%0.6720%0.2SC*.THydrogen-bonded Turntrans-83.5-20.3-174.700000114.6D133D133-G135 PolarHBondContact O-N 3.22Å; D133-G135 PolarHBondContact OD1-N 3.1Å
136K91Very high93.8Very high86 Ų8639.4 Ų39.437%0.37422%0.219SC..SBendtrans-89.8154.5-177.6-63.9-175.4-174.8-177.50112.6D133 Y138 S185 G186 E228D133-K136 HydrophobicContact CB-CB 4.07Å; D133-K136 HydrophobicContact CB-CD 3.91Å; D133-K136 HydrophobicContact CB-CG 3.88Å; D133-K136 PolarHBondContact O-N 3.34Å; D133-K136 VanDerWaalsContact OD2-CE 3.31Å; D133-K136 WeakPolarHBondContact OD2-CE 3.38Å; D133-K136 WeakPolarHBondContact OD2-CG 3.33Å; K136-Y138 HydrophobicContact CB-CE2 3.81Å; K136-S185 CarbonylContact O-C 3.55Å; K136-S185 VanDerWaalsContact O-CA 3.31Å; K136-S185 WeakPolarHBondContact O-CA 3.27Å; K136-G186 PolarHBondContact O-N 3Å; K136-E228 HydrophobicContact CD-CG 4.1Å; K136-E228 VanDerWaalsContact CD-OE1 3.23Å; K136-E228 WeakPolarHBondContact CD-OE1 3.43Å; K136-E228 WeakPolarHBondContact CD-OE2 3.33Å; K136-E228 WeakPolarHBondContact CE-OE1 3.33Å; K136-E228 IonicContact NZ-OE1 3.2Å; K136-E228 PolarHBondContact NZ-OE1 2.93Å; K136-E228 IonicContact NZ-OE2 3.62Å
137Q92Very high93.6Very high80 Ų8037.7 Ų37.737%0.37422%0.219SC..EExtended strand (participates in β ladder)trans-91139.9172.1-60.4-62-40.800110.1C184 S185 Q229Q137-C184 PolarHBondContact OE1-O 3.33Å; Q137-S185 VanDerWaalsContact OE1-N 3.1Å; Q137-Q229 HydrophobicContact CB-CB 3.91Å; Q137-Q229 VanDerWaalsContact CB-OE1 3.23Å; Q137-Q229 WeakPolarHBondContact O-CB 3.5Å; Q137-Q229 PolarHBondContact O-N 2.94Å
138Y92.1Very high93.4Very high7 Ų739.3 Ų39.33%0.02723%0.227CC..EExtended strand (participates in β ladder)trans-130.9143.7177.3-64.7-85.5000110.8L132 D133 K136 C184 W189 V226 I227 E228L132-Y138 HydrophobicContact CB-CD2 4.36Å; L132-Y138 HydrophobicContact CB-CE2 3.91Å; L132-Y138 HydrophobicContact CD1-CD2 4.27Å; L132-Y138 HydrophobicContact CD2-CE1 4.41Å; L132-Y138 HydrophobicContact CD2-CE2 4.44Å; D133-Y138 PolarHBondContact N-OH 2.85Å; K136-Y138 HydrophobicContact CB-CE2 3.81Å; Y138-C184 PolarHBondContact N-O 3.45Å; Y138-C184 PolarHBondContact O-N 3.2Å; Y138-W189 PolarHBondContact O-NE1 2.82Å; Y138-V226 HydrophobicContact CD1-CG1 3.63Å; Y138-V226 HydrophobicContact CE1-CG1 4.37Å; Y138-V226 HydrophobicContact CG-CG1 4.13Å; Y138-I227 CarbonylContact C-O 3.55Å; Y138-I227 VanDerWaalsContact CA-O 3.3Å; Y138-I227 WeakPolarHBondContact CA-O 3.45Å; Y138-E228 HydrophobicContact CD1-CB 4.01Å; Y138-E228 HydrophobicContact CD1-CG 4.2Å; Y138-E228 HydrophobicContact CE1-CB 3.69Å; Y138-E228 HydrophobicContact CE1-CG 3.62Å; Y138-E228 WeakPolarHBondContact CE1-OE2 3.26Å; Y138-E228 VanDerWaalsContact CZ-OE2 3.23Å; Y138-E228 PolarHBondContact OH-OE2 3.22Å
139Y92.6Very high93.1Very high25 Ų2538.4 Ų38.410%0.09823%0.231CC..EExtended strand (participates in β ladder)trans-96.3140.6162.9-67.9-107.2000109.1V178 P183 I227 Q229 L235Y139-V178 HydrophobicContact CD1-CG1 4.47Å; Y139-P183 HydrophobicContact CD1-CB 4.4Å; Y139-P183 HydrophobicContact CD2-CB 4.05Å; Y139-P183 HydrophobicContact CE1-CB 4.09Å; Y139-P183 HydrophobicContact CE1-CG 4.22Å; Y139-P183 HydrophobicContact CE2-CB 3.73Å; Y139-P183 HydrophobicContact CE2-CG 4.31Å; Y139-P183 HydrophobicContact CG-CB 4.38Å; Y139-I227 PolarHBondContact N-O 2.84Å; Y139-I227 PolarHBondContact O-N 2.84Å; Y139-Q229 HydrophobicContact CD2-CB 4.21Å; Y139-Q229 HydrophobicContact CE2-CB 3.94Å; Y139-Q229 HydrophobicContact CE2-CG 3.81Å; Y139-L235 HydrophobicContact CD1-CB 4.17Å; Y139-L235 HydrophobicContact CD1-CD1 4.05Å; Y139-L235 HydrophobicContact CD2-CD1 3.41Å; Y139-L235 VanDerWaalsContact CD2-CD1 3.41Å; Y139-L235 HydrophobicContact CE1-CB 4.11Å; Y139-L235 HydrophobicContact CE1-CD1 4.46Å; Y139-L235 HydrophobicContact CE2-CD1 3.87Å; Y139-L235 HydrophobicContact CG-CB 4.47Å; Y139-L235 HydrophobicContact CG-CD1 3.5Å; Y139-L235 VanDerWaalsContact CG-CD1 3.5Å
140V94.3Very high93Very high0 Ų042.8 Ų42.80%025%0.25CS..EExtended strand (participates in β ladder)trans-121.6121.4176.3-179.30000109.2H179 S182 W189 I194 F196 V224 H225V140-H179 HydrophobicContact CB-CB 4.49Å; V140-H179 WeakPolarHBondContact O-CB 3.1Å; V140-H179 PolarHBondContact O-N 2.96Å; V140-S182 PolarHBondContact N-OG 2.93Å; V140-S182 PolarHBondContact O-OG 3.37Å; V140-W189 HydrophobicContact CB-CH2 4.02Å; V140-W189 HydrophobicContact CB-CZ2 4.01Å; V140-W189 HydrophobicContact CB-CZ3 4.35Å; V140-W189 HydrophobicContact CG2-CD2 3.8Å; V140-W189 HydrophobicContact CG2-CE3 4.17Å; V140-W189 HydrophobicContact CG2-CG 4.28Å; V140-W189 HydrophobicContact CG2-CH2 4.17Å; V140-W189 HydrophobicContact CG2-CZ2 3.8Å; V140-W189 HydrophobicContact CG2-CZ3 4.35Å; V140-I194 HydrophobicContact CB-CD1 4.43Å; V140-I194 HydrophobicContact CG1-CD1 3.98Å; V140-I194 HydrophobicContact CG1-CG2 4.18Å; V140-I194 HydrophobicContact CG2-CD1 4.1Å; V140-F196 HydrophobicContact CG1-CZ 3.99Å; V140-V224 HydrophobicContact CG1-CG1 4.18Å; V140-H225 WeakPolarHBondContact CA-O 3.43Å
141A94.1Very high92.9Very high2 Ų245.4 Ų45.42%0.01726%0.258CS..EExtended strand (participates in β ladder)trans-130.3164.3-175.400000111.6F176 Y177 V224 H225A141-F176 HydrophobicContact CB-CD2 4.18Å; A141-Y177 CarbonylContact C-O 3.53Å; A141-Y177 VanDerWaalsContact CA-O 3.31Å; A141-Y177 WeakPolarHBondContact CA-O 3.35Å; A141-V224 WeakPolarHBondContact O-CA 3.3Å; A141-V224 WeakPolarHBondContact O-CG1 3.44Å; A141-H225 PolarHBondContact N-O 3.3Å; A141-H225 PolarHBondContact O-N 3.43Å
142I95.1Very high93Very high0 Ų045 Ų450%025%0.248CC..EExtended strand (participates in β ladder)trans-133.7128.8175.1-173.8170.8000110.1V125 F176 Y177 F196 M199 P222 R223 V224V125-I142 HydrophobicContact CB-CD1 3.9Å; V125-I142 HydrophobicContact CG1-CD1 3.94Å; V125-I142 HydrophobicContact CG2-CD1 4.02Å; I142-F176 CarbonylContact O-C 3.56Å; I142-F176 WeakPolarHBondContact O-CA 3.4Å; I142-Y177 HydrophobicContact CG2-CD1 3.92Å; I142-Y177 HydrophobicContact CG2-CG 4.39Å; I142-Y177 PolarHBondContact N-O 3.47Å; I142-Y177 PolarHBondContact O-N 3.25Å; I142-F196 HydrophobicContact CB-CD1 4.02Å; I142-F196 HydrophobicContact CB-CD2 4.41Å; I142-F196 HydrophobicContact CB-CE1 3.8Å; I142-F196 HydrophobicContact CB-CE2 4.21Å; I142-F196 HydrophobicContact CB-CG 4.3Å; I142-F196 HydrophobicContact CB-CZ 3.88Å; I142-F196 HydrophobicContact CD1-CB 4.29Å; I142-F196 HydrophobicContact CD1-CD2 3.85Å; I142-F196 HydrophobicContact CD1-CE2 4.26Å; I142-F196 HydrophobicContact CD1-CG 3.99Å; I142-F196 HydrophobicContact CG2-CB 4.46Å; I142-F196 HydrophobicContact CG2-CD1 3.41Å; I142-F196 VanDerWaalsContact CG2-CD1 3.41Å; I142-F196 HydrophobicContact CG2-CD2 4.48Å; I142-F196 HydrophobicContact CG2-CE1 3.56Å; I142-F196 HydrophobicContact CG2-CG 3.89Å; I142-F196 HydrophobicContact CG2-CZ 4.17Å; I142-M199 HydrophobicContact CD1-SD 4.01Å; I142-M199 HydrophobicContact CG1-SD 4.33Å; I142-M199 HydrophobicContact CG2-SD 3.47Å; I142-M199 WeakPolarHBondContact CG2-SD 3.14Å; I142-P222 HydrophobicContact CD1-CB 4.04Å; I142-P222 HydrophobicContact CG1-CB 4.26Å; I142-R223 CarbonylContact C-O 3.54Å; I142-R223 VanDerWaalsContact CA-O 3.27Å; I142-R223 WeakPolarHBondContact CA-O 3.22Å; I142-R223 WeakPolarHBondContact CG1-O 3.4Å; I142-V224 HydrophobicContact CD1-CG2 4.19Å; I142-V224 HydrophobicContact CG1-CG2 4.23Å
143D93.8Very high93.2Very high14 Ų1450.5 Ų50.58%0.07527%0.268CS..EExtended strand (participates in β ladder)trans-101.8175.5167.991.25.3000111V145 F176 P222 R223 H225D143-V145 WeakPolarHBondContact OD2-CG1 3.43Å; D143-F176 HydrophobicContact CB-CB 4.44Å; D143-P222 VanDerWaalsContact O-CA 3.31Å; D143-P222 WeakPolarHBondContact O-CA 3.34Å; D143-R223 PolarHBondContact N-O 3.19Å; D143-R223 PolarHBondContact O-N 2.68Å; D143-R223 VanDerWaalsContact OD1-CB 3.22Å; D143-R223 WeakPolarHBondContact OD1-CB 3.43Å; D143-R223 VanDerWaalsContact OD1-CD 3.3Å; D143-R223 WeakPolarHBondContact OD1-CD 3.47Å; D143-R223 WeakPolarHBondContact OD1-CG 3.42Å; D143-R223 PolarHBondContact OD1-N 2.95Å; D143-R223 IonicContact OD2-CZ 3.97Å; D143-R223 IonicContact OD2-NE 3.76Å; D143-R223 IonicContact OD2-NH1 2.67Å; D143-R223 PolarHBondContact OD2-NH1 2.93Å; D143-H225 IonicContact OD1-NE2 3.88Å; D143-H225 IonicContact OD2-CE1 3.51Å; D143-H225 IonicContact OD2-NE2 3.76Å; D143-H225 PolarHBondContact OD2-NE2 3.42Å
144V94.8Very high93.4Very high18 Ų1848.1 Ų48.111%0.10925%0.254CS..EExtended strand (participates in β ladder)trans-137.6109.2166.7-179.40000109.2M199 L201 I212 L214 Y220 P222 F256V144-M199 HydrophobicContact CG2-CE 3.54Å; V144-L201 HydrophobicContact CG2-CD2 4.45Å; V144-I212 HydrophobicContact CB-CG2 4.04Å; V144-I212 HydrophobicContact CG2-CD1 4.43Å; V144-I212 HydrophobicContact CG2-CG2 4.04Å; V144-L214 HydrophobicContact CB-CD2 4.1Å; V144-L214 HydrophobicContact CG1-CD1 4.04Å; V144-L214 HydrophobicContact CG1-CD2 3.7Å; V144-Y220 HydrophobicContact CG1-CD1 3.95Å; V144-Y220 HydrophobicContact CG1-CG 4Å; V144-P222 HydrophobicContact CG2-CB 4.44Å; V144-F256 HydrophobicContact CG1-CZ 4.01Å
145V92.9Very high93.6Very high40 Ų4045 Ų4524%0.24223%0.233CC..EExtended strand (participates in β ladder)trans-97.5148.5178.9-66.70000112.1D143 Y220 K221 R223D143-V145 WeakPolarHBondContact OD2-CG1 3.43Å; V145-Y220 CarbonylContact O-C 3.55Å; V145-Y220 VanDerWaalsContact O-CA 3.27Å; V145-Y220 WeakPolarHBondContact O-CA 3.33Å; V145-Y220 WeakPolarHBondContact O-CD1 3.27Å; V145-K221 HydrophobicContact CG2-CB 4.37Å; V145-K221 WeakPolarHBondContact CG2-O 3.45Å; V145-K221 PolarHBondContact N-O 2.9Å; V145-K221 PolarHBondContact O-N 3.01Å; V145-R223 HydrophobicContact CG2-CG 4.14Å
146P93.4Very high93.8Very high62 Ų6248.2 Ų48.240%0.40323%0.226SC..EExtended strand (participates in β ladder)trans-64.6146.3169.528.4-34.2000110.8H169 K219 Y220P146-H169 HydrophobicContact CG-CB 4.39Å; P146-K219 WeakPolarHBondContact CA-O 3.22Å; P146-Y220 HydrophobicContact CB-CD1 4.22Å; P146-Y220 HydrophobicContact CB-CE1 4.07Å
147V93.6Very high93.9Very high56 Ų5652.5 Ų52.534%0.33925%0.247SC..SBendtrans-87.9-34.4176.1175.40000111.3K219 K221 E255V147-K219 HydrophobicContact CB-CB 3.96Å; V147-K219 HydrophobicContact CG2-CB 4.33Å; V147-K219 PolarHBondContact N-O 3.2Å; V147-K221 HydrophobicContact CG2-CB 3.89Å; V147-E255 HydrophobicContact CG2-CG 4.27Å
148D92.3Very high93.9Very high34 Ų3450.9 Ų50.918%0.18225%0.245CC..  trans-148.9170.1174.16030.2000110.2K150 Y152 H169D148-K150 HydrophobicContact CB-CD 4.38Å; D148-K150 HydrophobicContact CB-CG 4.31Å; D148-K150 PolarHBondContact O-N 2.96Å; D148-K150 WeakPolarHBondContact OD1-CB 3.43Å; D148-K150 PolarHBondContact OD1-N 3.32Å; D148-K150 VanDerWaalsContact OD1-N 3.17Å; D148-Y152 WeakPolarHBondContact OD1-CE2 3.45Å; D148-Y152 PolarHBondContact OD2-OH 2.94Å; D148-H169 PolarHBondContact O-CD2 2.98Å; D148-H169 PolarHBondContact O-NE2 2.89Å
149S90.8Very high94Very high61 Ų6154 Ų5443%0.42727%0.268SS..SBendtrans-9034.1175.8-520000112.3N166 T167S149-N166 CarbonylContact O-C 3.54Å; S149-N166 WeakPolarHBondContact O-CA 3.34Å; S149-N166 PolarHBondContact O-OD1 3.34Å; S149-T167 WeakPolarHBondContact CB-O 3.18Å; S149-T167 PolarHBondContact O-N 2.97Å
150K92.8Very high94Very high92 Ų9258.3 Ų58.340%0.429%0.289SS..EExtended strand (participates in β ladder)trans-116.9127.9-168.8-61.5174.5-176.6169.30111.9D148 Y152 V163 H218D148-K150 HydrophobicContact CB-CD 4.38Å; D148-K150 HydrophobicContact CB-CG 4.31Å; D148-K150 PolarHBondContact O-N 2.96Å; D148-K150 WeakPolarHBondContact OD1-CB 3.43Å; D148-K150 PolarHBondContact OD1-N 3.32Å; D148-K150 VanDerWaalsContact OD1-N 3.17Å; K150-Y152 HydrophobicContact CB-CE2 3.93Å; K150-Y152 WeakPolarHBondContact O-CD2 3.28Å; K150-Y152 WeakPolarHBondContact O-CE2 3.14Å; K150-V163 HydrophobicContact CB-CG1 4.28Å; K150-V163 HydrophobicContact CD-CG1 4.45Å; K150-V163 HydrophobicContact CD-CG2 4.1Å; K150-H218 PolarHBondContact O-CD2 2.9Å
151R94.3Very high94.1Very high135 Ų13560.8 Ų60.851%0.50930%0.298SS..EExtended strand (participates in β ladder)trans-80.2131.4168.3-170.7173.6174.5-173.8-2109.4A164 G165 M217 H218R151-A164 PolarHBondContact O-N 3.34Å; R151-G165 PolarHBondContact N-O 3.04Å; R151-G165 PolarHBondContact O-N 2.88Å; R151-M217 HydrophobicContact CG-CB 4.42Å; R151-H218 WeakPolarHBondContact CA-NE2 3.49Å; R151-H218 WeakPolarHBondContact CB-NE2 3.41Å
152Y95.8Very high94.1Very high19 Ų1964.2 Ų64.28%0.07532%0.315CS..EExtended strand (participates in β ladder)trans-103.2161.4-179.6-73.9-92.5000112.6D148 K150 W161 M162 V163 M217 K219D148-Y152 WeakPolarHBondContact OD1-CE2 3.45Å; D148-Y152 PolarHBondContact OD2-OH 2.94Å; K150-Y152 HydrophobicContact CB-CE2 3.93Å; K150-Y152 WeakPolarHBondContact O-CD2 3.28Å; K150-Y152 WeakPolarHBondContact O-CE2 3.14Å; Y152-W161 HydrophobicContact CD1-CB 4.45Å; Y152-M162 CarbonylContact C-O 3.56Å; Y152-M162 WeakPolarHBondContact CA-O 3.45Å; Y152-V163 HydrophobicContact CD1-CG2 4.49Å; Y152-V163 HydrophobicContact CE1-CG2 3.99Å; Y152-M217 PolarHBondContact N-O 2.71Å; Y152-M217 WeakPolarHBondContact O-CB 3.36Å; Y152-K219 HydrophobicContact CD2-CD 4.42Å; Y152-K219 HydrophobicContact CD2-CG 4.09Å; Y152-K219 HydrophobicContact CE1-CD 4.39Å; Y152-K219 HydrophobicContact CE2-CB 4.36Å; Y152-K219 HydrophobicContact CE2-CD 3.65Å; Y152-K219 HydrophobicContact CE2-CG 3.72Å; Y152-K219 VanDerWaalsContact CZ-NZ 3.33Å; Y152-K219 WeakPolarHBondContact OH-CE 3.47Å; Y152-K219 PolarHBondContact OH-NZ 2.97Å
153R96.1Very high94.2Very high123 Ų12367.8 Ų67.846%0.46434%0.336SS..EExtended strand (participates in β ladder)trans-135.6142.3164.964.9-175.6-177.3106.1-9109.7V155 M162 A164R153-V155 HydrophobicContact CG-CG2 4.47Å; R153-M162 HydrophobicContact CG-CB 4.49Å; R153-M162 PolarHBondContact N-O 3.08Å; R153-M162 VanDerWaalsContact NH2-CE 3.29Å; R153-M162 PolarHBondContact O-N 2.9Å; R153-A164 HydrophobicContact CB-CB 4.09Å; R153-A164 HydrophobicContact CG-CB 4.04Å
154Y97Very high94.2Very high18 Ų1869.9 Ų69.97%0.07136%0.355CS..EExtended strand (participates in β ladder)trans-86.4139.9170.5-167.6-105.6000110.1Y156 S159 W161 Q263 N264Y154-Y156 AromaticContact CD1-CD1 3.92Å; Y154-Y156 HydrophobicContact CD1-CD1 3.92Å; Y154-Y156 HydrophobicContact CD1-CD2 4.19Å; Y154-Y156 AromaticContact CD1-CE1 3.85Å; Y154-Y156 HydrophobicContact CD1-CE1 3.85Å; Y154-Y156 HydrophobicContact CD1-CE2 4.1Å; Y154-Y156 HydrophobicContact CD1-CG 4.09Å; Y154-Y156 AromaticContact CD1-CZ 3.94Å; Y154-Y156 AromaticContact CE1-CD1 3.95Å; Y154-Y156 HydrophobicContact CE1-CD1 3.95Å; Y154-Y156 HydrophobicContact CE1-CE1 4.13Å; Y154-Y156 HydrophobicContact CE1-CG 4.35Å; Y154-S159 VanDerWaalsContact OH-CA 3.3Å; Y154-S159 WeakPolarHBondContact OH-CA 3.41Å; Y154-S159 WeakPolarHBondContact OH-CB 3.28Å; Y154-S159 PolarHBondContact OH-O 3.1Å; Y154-W161 AromaticContact CD2-CD1 3.99Å; Y154-W161 AromaticContact CD2-CD2 3.86Å; Y154-W161 HydrophobicContact CD2-CD2 3.86Å; Y154-W161 AromaticContact CD2-CE2 3.74Å; Y154-W161 HydrophobicContact CD2-CE3 4.42Å; Y154-W161 HydrophobicContact CD2-CG 4.05Å; Y154-W161 HydrophobicContact CD2-CZ2 4.24Å; Y154-W161 AromaticContact CD2-NE1 3.79Å; Y154-Q263 HydrophobicContact CD1-CB 3.78Å; Y154-Q263 HydrophobicContact CD2-CB 4.22Å; Y154-Q263 HydrophobicContact CE1-CB 4.49Å; Y154-Q263 HydrophobicContact CG-CB 3.61Å; Y154-Q263 HydrophobicContact CG-CG 4.49Å; Y154-N264 HydrophobicContact CE2-CB 4Å
155V96.4Very high94Very high7 Ų770.5 Ų70.54%0.04237%0.365CS..EExtended strand (participates in β ladder)trans-116.299.6-176.4-177.50000108.3R153 H157 S158 S159 Q160 M162R153-V155 HydrophobicContact CG-CG2 4.47Å; V155-H157 VanDerWaalsContact CG1-CE1 3.41Å; V155-H157 WeakPolarHBondContact CG1-CE1 3.31Å; V155-H157 WeakPolarHBondContact CG1-NE2 3.41Å; V155-H157 PolarHBondContact O-N 2.78Å; V155-S158 WeakPolarHBondContact CG1-OG 3.42Å; V155-S158 PolarHBondContact O-N 2.78Å; V155-S159 WeakPolarHBondContact O-CA 3.3Å; V155-S159 PolarHBondContact O-N 3.41Å; V155-Q160 PolarHBondContact N-O 2.82Å; V155-Q160 PolarHBondContact O-N 2.8Å; V155-M162 HydrophobicContact CG2-CB 4.19Å; V155-M162 HydrophobicContact CG2-CE 4.03Å; V155-M162 HydrophobicContact CG2-CG 3.75Å; V155-M162 HydrophobicContact CG2-SD 4.24Å
156Y94.1Very high93.7Very high134 Ų13474.2 Ų74.253%0.52538%0.384SS..THydrogen-bonded Turntrans-61.6-37.3-169.2-69.5-89.6000114Y154 S158 S159 Q263Y154-Y156 AromaticContact CD1-CD1 3.92Å; Y154-Y156 HydrophobicContact CD1-CD1 3.92Å; Y154-Y156 HydrophobicContact CD1-CD2 4.19Å; Y154-Y156 AromaticContact CD1-CE1 3.85Å; Y154-Y156 HydrophobicContact CD1-CE1 3.85Å; Y154-Y156 HydrophobicContact CD1-CE2 4.1Å; Y154-Y156 HydrophobicContact CD1-CG 4.09Å; Y154-Y156 AromaticContact CD1-CZ 3.94Å; Y154-Y156 AromaticContact CE1-CD1 3.95Å; Y154-Y156 HydrophobicContact CE1-CD1 3.95Å; Y154-Y156 HydrophobicContact CE1-CE1 4.13Å; Y154-Y156 HydrophobicContact CE1-CG 4.35Å; Y156-S158 PolarHBondContact O-N 2.81Å; Y156-S159 PolarHBondContact O-N 3.37Å; Y156-S159 PolarHBondContact O-OG 3.37Å; Y156-Q263 VanDerWaalsContact OH-CD 3.25Å; Y156-Q263 PolarHBondContact OH-OE1 2.88Å
157H93.7Very high93.1Very high176 Ų17673.1 Ų73.182%0.81538%0.376SS*.THydrogen-bonded Turntrans-72.1-25.2-177.762.574.1000114.1V155V155-H157 VanDerWaalsContact CG1-CE1 3.41Å; V155-H157 WeakPolarHBondContact CG1-CE1 3.31Å; V155-H157 WeakPolarHBondContact CG1-NE2 3.41Å; V155-H157 PolarHBondContact O-N 2.78Å
158S92.6Very high91.9Very high45 Ų4577.1 Ų77.132%0.31539%0.391SS..THydrogen-bonded Turntrans-104.1-4.3171.956.30000113.2V155 Y156 Q160V155-S158 WeakPolarHBondContact CG1-OG 3.42Å; V155-S158 PolarHBondContact O-N 2.78Å; Y156-S158 PolarHBondContact O-N 2.81Å; S158-Q160 VanDerWaalsContact C-N 3.27Å; S158-Q160 WeakPolarHBondContact O-CG 3.42Å; S158-Q160 PolarHBondContact O-N 3.31Å
159S93.3Very high90.6Very high74 Ų7476.6 Ų76.652%0.51739%0.388SS..THydrogen-bonded Turntrans50.941.2-173-66.40000114Y154 V155 Y156Y154-S159 VanDerWaalsContact OH-CA 3.3Å; Y154-S159 WeakPolarHBondContact OH-CA 3.41Å; Y154-S159 WeakPolarHBondContact OH-CB 3.28Å; Y154-S159 PolarHBondContact OH-O 3.1Å; V155-S159 WeakPolarHBondContact O-CA 3.3Å; V155-S159 PolarHBondContact O-N 3.41Å; Y156-S159 PolarHBondContact O-N 3.37Å; Y156-S159 PolarHBondContact O-OG 3.37Å
160Q93.9Very high89Confident115 Ų11580.9 Ų80.954%0.53741%0.405SS..EExtended strand (participates in β ladder)trans-128.5150.3-173.4-78.3170.1-6.300113.3V155 S158V155-Q160 PolarHBondContact N-O 2.82Å; V155-Q160 PolarHBondContact O-N 2.8Å; S158-Q160 VanDerWaalsContact C-N 3.27Å; S158-Q160 WeakPolarHBondContact O-CG 3.42Å; S158-Q160 PolarHBondContact O-N 3.31Å
161W95.1Very high87.2Confident51 Ų5181.7 Ų81.719%0.19342%0.421CS..EExtended strand (participates in β ladder)trans-84.4124.3168.9-74.5102.8000110.5E111 Y152 Y154 M217 T257 V259 Q263E111-W161 HydrophobicContact CG-CZ2 4.01Å; Y152-W161 HydrophobicContact CD1-CB 4.45Å; Y154-W161 AromaticContact CD2-CD1 3.99Å; Y154-W161 AromaticContact CD2-CD2 3.86Å; Y154-W161 HydrophobicContact CD2-CD2 3.86Å; Y154-W161 AromaticContact CD2-CE2 3.74Å; Y154-W161 HydrophobicContact CD2-CE3 4.42Å; Y154-W161 HydrophobicContact CD2-CG 4.05Å; Y154-W161 HydrophobicContact CD2-CZ2 4.24Å; Y154-W161 AromaticContact CD2-NE1 3.79Å; W161-M217 HydrophobicContact CH2-CE 4.06Å; W161-M217 HydrophobicContact CZ3-CE 3.71Å; W161-T257 HydrophobicContact CE3-CG2 4.41Å; W161-T257 HydrophobicContact CH2-CG2 3.65Å; W161-T257 HydrophobicContact CZ2-CG2 4.01Å; W161-T257 HydrophobicContact CZ3-CG2 3.88Å; W161-V259 HydrophobicContact CH2-CG1 3.81Å; W161-V259 HydrophobicContact CZ2-CG1 4.3Å; W161-Q263 HydrophobicContact CH2-CB 4.29Å; W161-Q263 HydrophobicContact CH2-CG 3.77Å; W161-Q263 HydrophobicContact CZ2-CB 4.19Å; W161-Q263 HydrophobicContact CZ2-CG 4.14Å
162M95.2Very high85.8Confident75 Ų7576.9 Ų76.937%0.36941%0.405SS..EExtended strand (participates in β ladder)trans-120.2154.3173.3-56.4-152.2-38.700111.3Y152 R153 V155Y152-M162 CarbonylContact C-O 3.56Å; Y152-M162 WeakPolarHBondContact CA-O 3.45Å; R153-M162 HydrophobicContact CG-CB 4.49Å; R153-M162 PolarHBondContact N-O 3.08Å; R153-M162 VanDerWaalsContact NH2-CE 3.29Å; R153-M162 PolarHBondContact O-N 2.9Å; V155-M162 HydrophobicContact CG2-CB 4.19Å; V155-M162 HydrophobicContact CG2-CE 4.03Å; V155-M162 HydrophobicContact CG2-CG 3.75Å; V155-M162 HydrophobicContact CG2-SD 4.24Å
163V96.3Very high84.6Confident74 Ų7481 Ų8145%0.44843%0.428SS..EExtended strand (participates in β ladder)trans-68.8136.7171.8-179.40000109.1K150 Y152K150-V163 HydrophobicContact CB-CG1 4.28Å; K150-V163 HydrophobicContact CD-CG1 4.45Å; K150-V163 HydrophobicContact CD-CG2 4.1Å; Y152-V163 HydrophobicContact CD1-CG2 4.49Å; Y152-V163 HydrophobicContact CE1-CG2 3.99Å
164A93.1Very high83.4Confident58 Ų5880.1 Ų80.148%0.47944%0.437SS..EExtended strand (participates in β ladder)trans-108.7-24.1177.100000112.6R151 R153R151-A164 PolarHBondContact O-N 3.34Å; R153-A164 HydrophobicContact CB-CB 4.09Å; R153-A164 HydrophobicContact CG-CB 4.04Å
165G91.1Very high82.9Confident31 Ų3183 Ų8332%0.3245%0.448SS..EExtended strand (participates in β ladder)trans17317617600000112.1R151R151-G165 PolarHBondContact N-O 3.04Å; R151-G165 PolarHBondContact O-N 2.88Å
166N87.5Confident82.5Confident118 Ų11884.6 Ų84.663%0.63145%0.454SS*.EExtended strand (participates in β ladder)trans-86.1155168.9-15167000109.7S149S149-N166 CarbonylContact O-C 3.54Å; S149-N166 WeakPolarHBondContact O-CA 3.34Å; S149-N166 PolarHBondContact O-OD1 3.34Å
167T80.4Confident82.5Confident40 Ų4080.4 Ų80.425%0.24544%0.438CS..  trans-151.5129.8177.2-68.80000109.4S149 H169S149-T167 WeakPolarHBondContact CB-O 3.18Å; S149-T167 PolarHBondContact O-N 2.97Å; T167-H169 PolarHBondContact O-N 3.25Å
168E68.1Low82.4Confident140 Ų14074.6 Ų74.665%0.65442%0.415SS*.  trans-80.2111.4179.5-68.6-179.7-173.900110.4L170E168-L170 HydrophobicContact CB-CD1 4.47Å; E168-L170 HydrophobicContact CB-CG 4.4Å; E168-L170 PolarHBondContact O-N 2.97Å
169H64.7Low82.5Confident23 Ų2372.9 Ų72.911%0.10640%0.402CS..G310 helixtrans-764.1178.8-72-46.3000114.5P146 D148 T167 C171 I172 Q215 H218P146-H169 HydrophobicContact CG-CB 4.39Å; D148-H169 PolarHBondContact O-CD2 2.98Å; D148-H169 PolarHBondContact O-NE2 2.89Å; T167-H169 PolarHBondContact O-N 3.25Å; H169-C171 PolarHBondContact O-N 2.83Å; H169-I172 PolarHBondContact O-N 2.93Å; H169-I172 VanDerWaalsContact O-N 3.14Å; H169-Q215 PolarHBondContact CE1-OE1 2.93Å; H169-Q215 PolarHBondContact ND1-OE1 2.78Å; H169-H218 AromaticContact CE1-CD2 3.2Å; H169-H218 PolarHBondContact CE1-CD2 2.93Å; H169-H218 AromaticContact CE1-CG 3.57Å; H169-H218 AromaticContact CE1-NE2 3.67Å; H169-H218 AromaticContact NE2-CD2 3.43Å; H169-H218 PolarHBondContact NE2-CD2 3.34Å; H169-H218 AromaticContact NE2-CG 3.99Å
170L58Low82.5Confident151 Ų15172.1 Ų72.179%0.79140%0.395SS*.G310 helixtrans-59.8-17.6-175.2-58.4176.6000114.1E168E168-L170 HydrophobicContact CB-CD1 4.47Å; E168-L170 HydrophobicContact CB-CG 4.4Å; E168-L170 PolarHBondContact O-N 2.97Å
171C55.3Low82.5Confident108 Ų10870.2 Ų70.273%0.7339%0.389SS*.G310 helixtrans-86.8-12.2180-55.20000114.8H169 I173H169-C171 PolarHBondContact O-N 2.83Å; C171-I173 PolarHBondContact O-N 3.49Å
172I65.1Low82.3Confident34 Ų3469 Ų6917%0.17439%0.388CS..SBendtrans-89.5105177.5-48.7178.9000108.9H169 P174 Q215 Y220H169-I172 PolarHBondContact O-N 2.93Å; H169-I172 VanDerWaalsContact O-N 3.14Å; I172-P174 VanDerWaalsContact O-CD 3.27Å; I172-P174 WeakPolarHBondContact O-CD 3.31Å; I172-Q215 HydrophobicContact CD1-CB 4.35Å; I172-Q215 HydrophobicContact CD1-CG 3.81Å; I172-Q215 HydrophobicContact CG1-CG 4.4Å; I172-Y220 WeakPolarHBondContact CD1-OH 3.31Å
173I70Confident82.1Confident107 Ų10768 Ų6855%0.54939%0.387SS..  trans-59.9119.2168.6-60.5176.3000108C171 R175C171-I173 PolarHBondContact O-N 3.49Å; I173-R175 PolarHBondContact O-N 3.44Å
174P69.8Low82Confident103 Ų10366 Ų6667%0.66938%0.376SS*.  trans-60.1125.8179.9-24.535.4000110.8I172I172-P174 VanDerWaalsContact O-CD 3.27Å; I172-P174 WeakPolarHBondContact O-CD 3.31Å
175R86.8Confident82Confident78 Ų7864.1 Ų64.129%0.29436%0.359SS..  trans-112.4131.2173.6-69.6-178.4175.6-166.3-3.9109I173 D207 H211 I212I173-R175 PolarHBondContact O-N 3.44Å; R175-D207 VanDerWaalsContact CZ-O 3.3Å; R175-D207 PolarHBondContact NH1-O 3.13Å; R175-D207 IonicContact NH1-OD2 3.87Å; R175-D207 PolarHBondContact NH2-O 3.43Å; R175-H211 VanDerWaalsContact CD-O 3.27Å; R175-H211 WeakPolarHBondContact CD-O 3.39Å; R175-H211 PolarHBondContact NH1-O 3.29Å; R175-H211 VanDerWaalsContact NH1-O 3.1Å; R175-I212 HydrophobicContact CB-CG1 4.24Å; R175-I212 WeakPolarHBondContact O-CG1 3.2Å
176F89.1Confident82.2Confident41 Ų4162.7 Ų62.718%0.1834%0.344CS..  trans-102.4153.3169.360.2-83.6000110.1A141 I142 D143 V178 L238 L241A141-F176 HydrophobicContact CB-CD2 4.18Å; I142-F176 CarbonylContact O-C 3.56Å; I142-F176 WeakPolarHBondContact O-CA 3.4Å; D143-F176 HydrophobicContact CB-CB 4.44Å; F176-V178 HydrophobicContact CD2-CG2 3.77Å; F176-V178 HydrophobicContact CE2-CG2 3.58Å; F176-L238 WeakPolarHBondContact CZ-O 2.98Å; F176-L241 HydrophobicContact CB-CD1 3.85Å; F176-L241 HydrophobicContact CD1-CD1 3.53Å; F176-L241 HydrophobicContact CD2-CD1 4.27Å; F176-L241 HydrophobicContact CE1-CD1 4.11Å; F176-L241 HydrophobicContact CG-CD1 3.63Å
177Y93.1Very high82.5Confident46 Ų4661 Ų6118%0.1833%0.332CS..EExtended strand (participates in β ladder)trans-110.8114.5173.8173.8-96.9000108.8A141 I142 F196 R198 M199A141-Y177 CarbonylContact C-O 3.53Å; A141-Y177 VanDerWaalsContact CA-O 3.31Å; A141-Y177 WeakPolarHBondContact CA-O 3.35Å; I142-Y177 HydrophobicContact CG2-CD1 3.92Å; I142-Y177 HydrophobicContact CG2-CG 4.39Å; I142-Y177 PolarHBondContact N-O 3.47Å; I142-Y177 PolarHBondContact O-N 3.25Å; Y177-F196 AromaticContact CD1-CD1 3.89Å; Y177-F196 HydrophobicContact CD1-CD1 3.89Å; Y177-F196 HydrophobicContact CD1-CE1 4.45Å; Y177-F196 HydrophobicContact CE1-CD1 4.09Å; Y177-R198 WeakPolarHBondContact OH-CB 3.43Å; Y177-M199 HydrophobicContact CD1-CB 3.93Å; Y177-M199 HydrophobicContact CD1-CG 4.36Å; Y177-M199 HydrophobicContact CE1-CB 4.16Å; Y177-M199 HydrophobicContact CG-CB 4.18Å; Y177-M199 HydrophobicContact CG-CG 4.24Å
178V93Very high83.3Confident54 Ų5461.5 Ų61.533%0.32734%0.336SS..EExtended strand (participates in β ladder)trans-75.8134174.2-176.70000109.2Y139 F176Y139-V178 HydrophobicContact CD1-CG1 4.47Å; F176-V178 HydrophobicContact CD2-CG2 3.77Å; F176-V178 HydrophobicContact CE2-CG2 3.58Å
179H94.8Very high84.6Confident10 Ų1055 Ų555%0.04631%0.305CS..  trans-65132.6174.7-167.7-91.7000109.3V140 D181 S182 W189 I194 S195 F196V140-H179 HydrophobicContact CB-CB 4.49Å; V140-H179 WeakPolarHBondContact O-CB 3.1Å; V140-H179 PolarHBondContact O-N 2.96Å; H179-D181 IonicContact CE1-OD1 2.76Å; H179-D181 IonicContact CE1-OD2 3.45Å; H179-D181 PolarHBondContact CE1-OD2 3.03Å; H179-D181 VanDerWaalsContact CE1-OD2 3.29Å; H179-D181 IonicContact ND1-OD1 3.31Å; H179-D181 IonicContact ND1-OD2 3.89Å; H179-D181 PolarHBondContact O-N 2.88Å; H179-S182 VanDerWaalsContact O-CB 3.27Å; H179-S182 WeakPolarHBondContact O-CB 3.06Å; H179-S182 PolarHBondContact O-N 3.45Å; H179-S182 PolarHBondContact O-OG 3.07Å; H179-W189 HydrophobicContact CB-CH2 4.02Å; H179-W189 AromaticContact CG-CH2 3.96Å; H179-W189 AromaticContact ND1-CH2 3.48Å; H179-W189 WeakPolarHBondContact ND1-CH2 3.38Å; H179-W189 AromaticContact ND1-CZ3 3.51Å; H179-I194 VanDerWaalsContact CD2-CG2 3.4Å; H179-I194 WeakPolarHBondContact CD2-CG2 3.4Å; H179-S195 PolarHBondContact NE2-N 3.1Å; H179-S195 PolarHBondContact NE2-O 3.11Å; H179-F196 HydrophobicContact CB-CE1 4.1Å
180P92.9Very high86.1Confident58 Ų5856.1 Ų56.138%0.37731%0.311SS..THydrogen-bonded Turntrans-63.2-17.1-170.125.5-36.4000114.6S182P180-S182 VanDerWaalsContact C-N 3.28Å
181D92.7Very high87.8Confident75 Ų7557.6 Ų57.640%0.40131%0.306SS..THydrogen-bonded Turntrans-87.46.1177.8-49.6-0.7000112.1H179 P183 C184 W189H179-D181 IonicContact CE1-OD1 2.76Å; H179-D181 IonicContact CE1-OD2 3.45Å; H179-D181 PolarHBondContact CE1-OD2 3.03Å; H179-D181 VanDerWaalsContact CE1-OD2 3.29Å; H179-D181 IonicContact ND1-OD1 3.31Å; H179-D181 IonicContact ND1-OD2 3.89Å; H179-D181 PolarHBondContact O-N 2.88Å; D181-P183 CarbonylContact O-C 3.57Å; D181-C184 WeakPolarHBondContact O-CB 3.4Å; D181-W189 HydrophobicContact CB-CH2 3.98Å; D181-W189 HydrophobicContact CB-CZ3 4.3Å
182S91.4Very high89.7Confident24 Ų2457.3 Ų57.317%0.16829%0.294CS..  trans-89.3144.5179.3-47.40000112.4V140 H179 P180 W189V140-S182 PolarHBondContact N-OG 2.93Å; V140-S182 PolarHBondContact O-OG 3.37Å; H179-S182 VanDerWaalsContact O-CB 3.27Å; H179-S182 WeakPolarHBondContact O-CB 3.06Å; H179-S182 PolarHBondContact O-N 3.45Å; H179-S182 PolarHBondContact O-OG 3.07Å; P180-S182 VanDerWaalsContact C-N 3.28Å; S182-W189 WeakPolarHBondContact OG-CZ2 3.3Å
183P91.6Very high91.2Very high56 Ų5658.5 Ų58.536%0.36430%0.3SS..SBendcis-72151.4-8.529.4-33.5000112.3Y139 D181Y139-P183 HydrophobicContact CD1-CB 4.4Å; Y139-P183 HydrophobicContact CD2-CB 4.05Å; Y139-P183 HydrophobicContact CE1-CB 4.09Å; Y139-P183 HydrophobicContact CE1-CG 4.22Å; Y139-P183 HydrophobicContact CE2-CB 3.73Å; Y139-P183 HydrophobicContact CE2-CG 4.31Å; Y139-P183 HydrophobicContact CG-CB 4.38Å; D181-P183 CarbonylContact O-C 3.57Å
184C93.3Very high92.5Very high30 Ų3053.5 Ų53.520%0.20328%0.275CS..EExtended strand (participates in β ladder)trans-145.1160.8172.3-136.80000112Q137 Y138 D181 T188 W189Q137-C184 PolarHBondContact OE1-O 3.33Å; Y138-C184 PolarHBondContact N-O 3.45Å; Y138-C184 PolarHBondContact O-N 3.2Å; D181-C184 WeakPolarHBondContact O-CB 3.4Å; C184-T188 VanDerWaalsContact SG-CG2 3.58Å; C184-W189 HydrophobicContact CB-CD2 4.21Å; C184-W189 HydrophobicContact CB-CZ2 3.86Å; C184-W189 VanDerWaalsContact O-CD1 3.3Å; C184-W189 PolarHBondContact O-NE1 3.45Å; C184-W189 VanDerWaalsContact O-NE1 3.07Å
185S94.4Very high93.8Very high20 Ų2050 Ų5014%0.1425%0.253CS..EExtended strand (participates in β ladder)trans-66.3148.6179.368.50000111.8K136 Q137 E187 T188 W189K136-S185 CarbonylContact O-C 3.55Å; K136-S185 VanDerWaalsContact O-CA 3.31Å; K136-S185 WeakPolarHBondContact O-CA 3.27Å; Q137-S185 VanDerWaalsContact OE1-N 3.1Å; S185-E187 PolarHBondContact O-N 2.74Å; S185-T188 PolarHBondContact O-N 2.81Å; S185-T188 PolarHBondContact OG-N 2.85Å; S185-T188 PolarHBondContact OG-OG1 2.84Å; S185-W189 VanDerWaalsContact O-CD1 3.24Å; S185-W189 PolarHBondContact O-N 3.11Å
186G93.9Very high94.3Very high0 Ų046.4 Ų46.40%024%0.239CC..Hα-helixtrans-55.8-33174.100000112.3D133 K136 W189 M190D133-G186 WeakPolarHBondContact O-CA 3.5Å; K136-G186 PolarHBondContact O-N 3Å; G186-W189 PolarHBondContact O-N 2.9Å; G186-M190 WeakPolarHBondContact O-CB 3.45Å; G186-M190 WeakPolarHBondContact O-CE 3.38Å; G186-M190 VanDerWaalsContact O-CG 3.29Å; G186-M190 WeakPolarHBondContact O-CG 3.49Å; G186-M190 PolarHBondContact O-N 2.86Å
187E95.1Very high94.6Very high82 Ų8247.1 Ų47.138%0.38325%0.245SC..Hα-helixtrans-61.9-46.4173.1-152-150.6152.200112.2P134 S185 W189 M190 R191P134-E187 HydrophobicContact CB-CB 4.04Å; P134-E187 HydrophobicContact CB-CG 4.27Å; S185-E187 PolarHBondContact O-N 2.74Å; E187-W189 PolarHBondContact O-N 2.88Å; E187-M190 PolarHBondContact O-N 2.81Å; E187-R191 WeakPolarHBondContact O-CB 3.48Å; E187-R191 VanDerWaalsContact O-CG 3.25Å; E187-R191 WeakPolarHBondContact O-CG 3.47Å; E187-R191 PolarHBondContact O-N 2.76Å; E187-R191 IonicContact OE1-CZ 3.13Å; E187-R191 IonicContact OE1-NE 2.78Å; E187-R191 PolarHBondContact OE1-NE 3.31Å; E187-R191 IonicContact OE1-NH2 2.66Å; E187-R191 PolarHBondContact OE1-NH2 2.93Å; E187-R191 IonicContact OE2-NH2 3.63Å
188T95.4Very high94.6Very high52 Ų5251.8 Ų51.832%0.31926%0.262SS..Hα-helixtrans-66.1-39.3-179.5-53.50000111.5C184 S185 R191C184-T188 VanDerWaalsContact SG-CG2 3.58Å; S185-T188 PolarHBondContact O-N 2.81Å; S185-T188 PolarHBondContact OG-N 2.85Å; S185-T188 PolarHBondContact OG-OG1 2.84Å; T188-R191 PolarHBondContact O-N 2.87Å
189W95.7Very high94.8Very high3 Ų349.2 Ų49.21%0.01125%0.247CC..Hα-helixtrans-65.8-35.8174.7-70.5124.9000113.5L132 Y138 V140 H179 D181 S182 C184 S185 G186 E187 I194L132-W189 HydrophobicContact CD1-CB 3.64Å; L132-W189 HydrophobicContact CD1-CG 4.34Å; Y138-W189 PolarHBondContact O-NE1 2.82Å; V140-W189 HydrophobicContact CB-CH2 4.02Å; V140-W189 HydrophobicContact CB-CZ2 4.01Å; V140-W189 HydrophobicContact CB-CZ3 4.35Å; V140-W189 HydrophobicContact CG2-CD2 3.8Å; V140-W189 HydrophobicContact CG2-CE3 4.17Å; V140-W189 HydrophobicContact CG2-CG 4.28Å; V140-W189 HydrophobicContact CG2-CH2 4.17Å; V140-W189 HydrophobicContact CG2-CZ2 3.8Å; V140-W189 HydrophobicContact CG2-CZ3 4.35Å; H179-W189 HydrophobicContact CB-CH2 4.02Å; H179-W189 AromaticContact CG-CH2 3.96Å; H179-W189 AromaticContact ND1-CH2 3.48Å; H179-W189 WeakPolarHBondContact ND1-CH2 3.38Å; H179-W189 AromaticContact ND1-CZ3 3.51Å; D181-W189 HydrophobicContact CB-CH2 3.98Å; D181-W189 HydrophobicContact CB-CZ3 4.3Å; S182-W189 WeakPolarHBondContact OG-CZ2 3.3Å; C184-W189 HydrophobicContact CB-CD2 4.21Å; C184-W189 HydrophobicContact CB-CZ2 3.86Å; C184-W189 VanDerWaalsContact O-CD1 3.3Å; C184-W189 PolarHBondContact O-NE1 3.45Å; C184-W189 VanDerWaalsContact O-NE1 3.07Å; S185-W189 VanDerWaalsContact O-CD1 3.24Å; S185-W189 PolarHBondContact O-N 3.11Å; G186-W189 PolarHBondContact O-N 2.9Å; E187-W189 PolarHBondContact O-N 2.88Å; W189-I194 HydrophobicContact CD2-CD1 4.13Å; W189-I194 HydrophobicContact CE3-CD1 3.43Å; W189-I194 VanDerWaalsContact CE3-CD1 3.43Å; W189-I194 HydrophobicContact CE3-CG1 3.77Å; W189-I194 HydrophobicContact CZ3-CD1 3.96Å; W189-I194 HydrophobicContact CZ3-CG1 4.13Å; W189-I194 HydrophobicContact CZ3-CG2 4.1Å
190M95.9Very high94.8Very high47 Ų4751.9 Ų51.923%0.23226%0.258CS..Hα-helixtrans-77.9-25.5177.1-70-170.7-68.400113.5G131 L132 P134 G186 E187 Q192G131-M190 PolarHBondContact N-SD 3.07Å; G131-M190 VanDerWaalsContact N-SD 3.39Å; L132-M190 HydrophobicContact CB-CE 4.08Å; L132-M190 HydrophobicContact CB-CG 4.19Å; L132-M190 HydrophobicContact CB-SD 4.02Å; L132-M190 HydrophobicContact CD1-CG 4.22Å; L132-M190 HydrophobicContact CG-CG 4.19Å; L132-M190 HydrophobicContact CG-SD 4.46Å; L132-M190 PolarHBondContact N-SD 3.05Å; L132-M190 WeakPolarHBondContact O-CE 3.4Å; P134-M190 HydrophobicContact CG-CE 4.27Å; G186-M190 WeakPolarHBondContact O-CB 3.45Å; G186-M190 WeakPolarHBondContact O-CE 3.38Å; G186-M190 VanDerWaalsContact O-CG 3.29Å; G186-M190 WeakPolarHBondContact O-CG 3.49Å; G186-M190 PolarHBondContact O-N 2.86Å; E187-M190 PolarHBondContact O-N 2.81Å; M190-Q192 VanDerWaalsContact C-N 3.34Å; M190-Q192 PolarHBondContact O-N 3.02Å
191R95.6Very high95Very high182 Ų18249.2 Ų49.269%0.68724%0.241SC*.Hα-helixtrans-64.7-30179.2-82.7169.4174.1-142.69113.9E187 T188E187-R191 WeakPolarHBondContact O-CB 3.48Å; E187-R191 VanDerWaalsContact O-CG 3.25Å; E187-R191 WeakPolarHBondContact O-CG 3.47Å; E187-R191 PolarHBondContact O-N 2.76Å; E187-R191 IonicContact OE1-CZ 3.13Å; E187-R191 IonicContact OE1-NE 2.78Å; E187-R191 PolarHBondContact OE1-NE 3.31Å; E187-R191 IonicContact OE1-NH2 2.66Å; E187-R191 PolarHBondContact OE1-NH2 2.93Å; E187-R191 IonicContact OE2-NH2 3.63Å; T188-R191 PolarHBondContact O-N 2.87Å
192Q94.8Very high95.1Very high101 Ų10145.6 Ų45.647%0.47222%0.222SC..SBendtrans-135.4177-173.866.9174.20.900114.9M190M190-Q192 VanDerWaalsContact C-N 3.34Å; M190-Q192 PolarHBondContact O-N 3.02Å
193I96.7Very high95.3Very high60 Ų6047.8 Ų47.831%0.30823%0.231SC..  trans-92.5119.4176.6-62.8170.8000109Q97 R126Q97-I193 HydrophobicContact CB-CG2 4.12Å; Q97-I193 HydrophobicContact CG-CD1 3.97Å; Q97-I193 HydrophobicContact CG-CG1 4.06Å; Q97-I193 HydrophobicContact CG-CG2 3.76Å; R126-I193 HydrophobicContact CB-CG2 4.02Å
194I97.1Very high95.4Very high2 Ų246.8 Ų46.81%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-72137.7177.3-49-176.8000109R126 V127 V129 V140 H179 W189 F196R126-I194 VanDerWaalsContact CA-O 3.26Å; R126-I194 WeakPolarHBondContact CA-O 3.34Å; V127-I194 HydrophobicContact CG2-CB 3.93Å; V127-I194 HydrophobicContact CG2-CD1 4.46Å; V127-I194 PolarHBondContact N-O 3.39Å; V127-I194 PolarHBondContact O-N 3.09Å; V129-I194 HydrophobicContact CG2-CD1 3.75Å; V140-I194 HydrophobicContact CB-CD1 4.43Å; V140-I194 HydrophobicContact CG1-CD1 3.98Å; V140-I194 HydrophobicContact CG1-CG2 4.18Å; V140-I194 HydrophobicContact CG2-CD1 4.1Å; H179-I194 VanDerWaalsContact CD2-CG2 3.4Å; H179-I194 WeakPolarHBondContact CD2-CG2 3.4Å; W189-I194 HydrophobicContact CD2-CD1 4.13Å; W189-I194 HydrophobicContact CE3-CD1 3.43Å; W189-I194 VanDerWaalsContact CE3-CD1 3.43Å; W189-I194 HydrophobicContact CE3-CG1 3.77Å; W189-I194 HydrophobicContact CZ3-CD1 3.96Å; W189-I194 HydrophobicContact CZ3-CG1 4.13Å; W189-I194 HydrophobicContact CZ3-CG2 4.1Å; I194-F196 HydrophobicContact CG2-CE2 4.34Å; I194-F196 HydrophobicContact CG2-CZ 4.26Å
195S96.9Very high95.2Very high30 Ų3051.6 Ų51.621%0.2124%0.242CC..EExtended strand (participates in β ladder)trans-133.5113.2-169.4-177.80000113.1H179 D197H179-S195 PolarHBondContact NE2-N 3.1Å; H179-S195 PolarHBondContact NE2-O 3.11Å; S195-D197 VanDerWaalsContact C-N 3.26Å; S195-D197 PolarHBondContact O-N 2.96Å; S195-D197 PolarHBondContact OG-OD1 3.36Å
196F96.6Very high94.9Very high1 Ų158.4 Ų58.40%0.00427%0.274CS..  trans-90.332.6175.1-58.2-75.2000112.7V125 V127 V140 I142 Y177 H179 I194 R198 M199 V224V125-F196 HydrophobicContact CB-CB 4.41Å; V125-F196 HydrophobicContact CB-CD2 4.12Å; V125-F196 HydrophobicContact CG1-CD2 3.98Å; V125-F196 PolarHBondContact O-N 2.81Å; V127-F196 HydrophobicContact CG2-CE2 4.4Å; V140-F196 HydrophobicContact CG1-CZ 3.99Å; I142-F196 HydrophobicContact CB-CD1 4.02Å; I142-F196 HydrophobicContact CB-CD2 4.41Å; I142-F196 HydrophobicContact CB-CE1 3.8Å; I142-F196 HydrophobicContact CB-CE2 4.21Å; I142-F196 HydrophobicContact CB-CG 4.3Å; I142-F196 HydrophobicContact CB-CZ 3.88Å; I142-F196 HydrophobicContact CD1-CB 4.29Å; I142-F196 HydrophobicContact CD1-CD2 3.85Å; I142-F196 HydrophobicContact CD1-CE2 4.26Å; I142-F196 HydrophobicContact CD1-CG 3.99Å; I142-F196 HydrophobicContact CG2-CB 4.46Å; I142-F196 HydrophobicContact CG2-CD1 3.41Å; I142-F196 VanDerWaalsContact CG2-CD1 3.41Å; I142-F196 HydrophobicContact CG2-CD2 4.48Å; I142-F196 HydrophobicContact CG2-CE1 3.56Å; I142-F196 HydrophobicContact CG2-CG 3.89Å; I142-F196 HydrophobicContact CG2-CZ 4.17Å; Y177-F196 AromaticContact CD1-CD1 3.89Å; Y177-F196 HydrophobicContact CD1-CD1 3.89Å; Y177-F196 HydrophobicContact CD1-CE1 4.45Å; Y177-F196 HydrophobicContact CE1-CD1 4.09Å; H179-F196 HydrophobicContact CB-CE1 4.1Å; I194-F196 HydrophobicContact CG2-CE2 4.34Å; I194-F196 HydrophobicContact CG2-CZ 4.26Å; F196-R198 VanDerWaalsContact C-N 3.25Å; F196-R198 PolarHBondContact O-N 3.48Å; F196-M199 HydrophobicContact CB-CB 4.38Å; F196-M199 WeakPolarHBondContact O-CB 3.27Å; F196-M199 PolarHBondContact O-N 2.88Å; F196-V224 HydrophobicContact CE2-CG1 3.85Å; F196-V224 HydrophobicContact CE2-CG2 3.91Å; F196-V224 HydrophobicContact CZ-CG1 3.9Å
197D95.1Very high94.7Very high57 Ų5758.7 Ų58.731%0.30528%0.276SS..THydrogen-bonded Turntrans-68.9-2217872.7-82000113.7R120 S195R120-D197 WeakPolarHBondContact CD-O 3.23Å; R120-D197 WeakPolarHBondContact CG-O 3.45Å; R120-D197 IonicContact CZ-OD2 3.63Å; R120-D197 PolarHBondContact NE-O 2.87Å; R120-D197 PolarHBondContact NH1-O 2.97Å; R120-D197 IonicContact NH1-OD2 3.53Å; R120-D197 PolarHBondContact NH1-OD2 2.8Å; S195-D197 VanDerWaalsContact C-N 3.26Å; S195-D197 PolarHBondContact O-N 2.96Å; S195-D197 PolarHBondContact OG-OD1 3.36Å
198R94.7Very high94.4Very high143 Ų14360.6 Ų60.654%0.5429%0.288SS..THydrogen-bonded Turntrans-79.7-22.2177.7-68.9174.965.1174.8-2113Y177 F196Y177-R198 WeakPolarHBondContact OH-CB 3.43Å; F196-R198 VanDerWaalsContact C-N 3.25Å; F196-R198 PolarHBondContact O-N 3.48Å
199M95.3Very high94.1Very high1 Ų164.5 Ų64.51%0.00530%0.301CS..  trans-58.9146.7176.1177.6-178.2148.600111.2R120 M121 I142 V144 Y177 F196 L201 I212R120-M199 WeakPolarHBondContact CA-O 3.35Å; M121-M199 HydrophobicContact CE-CE 3.48Å; M121-M199 VanDerWaalsContact CE-CE 3.48Å; M121-M199 HydrophobicContact CE-CG 4.43Å; M121-M199 HydrophobicContact CE-SD 3.55Å; M121-M199 VanDerWaalsContact CE-SD 3.55Å; M121-M199 HydrophobicContact SD-CE 3.77Å; I142-M199 HydrophobicContact CD1-SD 4.01Å; I142-M199 HydrophobicContact CG1-SD 4.33Å; I142-M199 HydrophobicContact CG2-SD 3.47Å; I142-M199 WeakPolarHBondContact CG2-SD 3.14Å; V144-M199 HydrophobicContact CG2-CE 3.54Å; Y177-M199 HydrophobicContact CD1-CB 3.93Å; Y177-M199 HydrophobicContact CD1-CG 4.36Å; Y177-M199 HydrophobicContact CE1-CB 4.16Å; Y177-M199 HydrophobicContact CG-CB 4.18Å; Y177-M199 HydrophobicContact CG-CG 4.24Å; F196-M199 HydrophobicContact CB-CB 4.38Å; F196-M199 WeakPolarHBondContact O-CB 3.27Å; F196-M199 PolarHBondContact O-N 2.88Å; M199-L201 HydrophobicContact CE-CD2 3.54Å; M199-I212 HydrophobicContact CE-CD1 3.73Å; M199-I212 HydrophobicContact CG-CD1 4.37Å; M199-I212 HydrophobicContact SD-CD1 4.08Å
200K96.2Very high93.7Very high66 Ų6666.6 Ų66.629%0.28732%0.323SS..EExtended strand (participates in β ladder)trans-135.2143.9179-75.4169.2159-161.60111.9A117 G118 R119 R120 H211 I212A117-K200 PolarHBondContact O-NZ 3.48Å; G118-K200 WeakPolarHBondContact O-CD 3.37Å; G118-K200 VanDerWaalsContact O-CE 3.28Å; G118-K200 WeakPolarHBondContact O-CE 3.43Å; R119-K200 CarbonylContact O-C 3.6Å; R119-K200 VanDerWaalsContact O-CA 3.3Å; R119-K200 WeakPolarHBondContact O-CA 3.41Å; R120-K200 HydrophobicContact CG-CG 4.12Å; K200-H211 VanDerWaalsContact CD-CD2 3.41Å; K200-H211 WeakPolarHBondContact CD-CD2 3.36Å; K200-H211 WeakPolarHBondContact CD-NE2 3.43Å; K200-H211 PolarHBondContact NZ-NE2 2.76Å; K200-I212 PolarHBondContact O-N 3.29Å; K200-I212 VanDerWaalsContact O-N 3.11Å
201L96.5Very high93.6Very high1 Ų165.3 Ų65.31%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-101.8133.5172.6-53.1-178.3000110.1M112 I114 G118 R119 M121 V144 M199 I212 L214 F256M112-L201 HydrophobicContact CB-CD1 4.04Å; I114-L201 HydrophobicContact CG2-CB 3.73Å; I114-L201 HydrophobicContact CG2-CD1 4.35Å; G118-L201 WeakPolarHBondContact CA-O 3.48Å; R119-L201 PolarHBondContact N-O 2.75Å; R119-L201 PolarHBondContact O-N 3.44Å; M121-L201 HydrophobicContact CG-CD1 3.74Å; M121-L201 HydrophobicContact CG-CD2 4.49Å; M121-L201 HydrophobicContact CG-CG 3.94Å; M121-L201 HydrophobicContact SD-CD1 4.17Å; M121-L201 HydrophobicContact SD-CD2 4.45Å; M121-L201 HydrophobicContact SD-CG 4.46Å; V144-L201 HydrophobicContact CG2-CD2 4.45Å; M199-L201 HydrophobicContact CE-CD2 3.54Å; L201-I212 WeakPolarHBondContact CA-O 3.44Å; L201-I212 HydrophobicContact CD2-CB 4.22Å; L201-I212 HydrophobicContact CD2-CG2 4.12Å; L201-L214 HydrophobicContact CB-CD1 4.35Å; L201-L214 HydrophobicContact CD1-CD1 3.91Å; L201-L214 HydrophobicContact CD2-CD1 3.76Å; L201-L214 HydrophobicContact CD2-CG 4.5Å; L201-L214 HydrophobicContact CG-CD1 4.21Å; L201-F256 HydrophobicContact CD1-CE2 3.95Å; L201-F256 HydrophobicContact CD1-CZ 3.86Å
202T95.9Very high93.5Very high0 Ų056.9 Ų56.90%029%0.285CS..EExtended strand (participates in β ladder)trans-127154.1179.6-1700000111.5T115 N204 D207 H211 I212 I213 L214T115-T202 WeakPolarHBondContact O-CA 3.3Å; T115-T202 PolarHBondContact O-OG1 2.69Å; T115-T202 VanDerWaalsContact O-OG1 3.09Å; T202-N204 WeakPolarHBondContact OG1-CB 3.38Å; T202-N204 PolarHBondContact OG1-N 3.32Å; T202-D207 HydrophobicContact CG2-CB 3.87Å; T202-H211 HydrophobicContact CG2-CB 3.71Å; T202-I212 PolarHBondContact N-O 3Å; T202-I213 HydrophobicContact CG2-CB 4.28Å; T202-I213 HydrophobicContact CG2-CG1 3.73Å; T202-L214 PolarHBondContact O-N 2.86Å
203N94.4Very high93.5Very high69 Ų6953 Ų5337%0.36927%0.267SS..  trans-104.111.9168.978.9-67.1000112.4I114 T115 K116I114-N203 HydrophobicContact CB-CB 4.48Å; I114-N203 HydrophobicContact CD1-CB 3.63Å; I114-N203 HydrophobicContact CG1-CB 3.94Å; T115-N203 WeakPolarHBondContact CA-OD1 3.2Å; K116-N203 PolarHBondContact N-OD1 2.81Å
204N93Very high93.4Very high36 Ų3650.3 Ų50.319%0.19325%0.254CS..  trans-91107.2177.4-17635.5000109.7K116 T202 M206 D207 I213K116-N204 HydrophobicContact CG-CB 4.17Å; T202-N204 WeakPolarHBondContact OG1-CB 3.38Å; T202-N204 PolarHBondContact OG1-N 3.32Å; N204-M206 VanDerWaalsContact ND2-C 3.25Å; N204-M206 PolarHBondContact ND2-O 3.33Å; N204-M206 PolarHBondContact O-N 3.16Å; N204-D207 HydrophobicContact CB-CB 4.25Å; N204-D207 WeakPolarHBondContact ND2-CA 3.35Å; N204-D207 PolarHBondContact ND2-N 3.01Å; N204-D207 WeakPolarHBondContact O-CB 3.29Å; N204-D207 PolarHBondContact O-N 3.1Å; N204-I213 WeakPolarHBondContact O-CG1 3.48Å
205E89.8Confident93.2Very high131 Ų13152.1 Ų52.161%0.61226%0.262SS*.THydrogen-bonded Turntrans-64.2-26.7178.1-66.2171.8165.700112D207 I213E205-D207 PolarHBondContact O-N 3.04Å; E205-I213 HydrophobicContact CG-CG2 4.32Å; E205-I213 WeakPolarHBondContact O-CD1 3.14Å
206M88.6Confident93.2Very high163 Ų16352.2 Ų52.280%0.80326%0.263SS*.THydrogen-bonded Turntrans-99.647.7175-53.8-56.5-68.700111.5N204N204-M206 VanDerWaalsContact ND2-C 3.25Å; N204-M206 PolarHBondContact ND2-O 3.33Å; N204-M206 PolarHBondContact O-N 3.16Å
207D89.7Confident93.1Very high6 Ų653.6 Ų53.63%0.03227%0.269CS..  trans-82.2120.5178.1-171.597.5000112.2R175 T202 N204 E205 K209 G210 H211 I213R175-D207 VanDerWaalsContact CZ-O 3.3Å; R175-D207 PolarHBondContact NH1-O 3.13Å; R175-D207 IonicContact NH1-OD2 3.87Å; R175-D207 PolarHBondContact NH2-O 3.43Å; T202-D207 HydrophobicContact CG2-CB 3.87Å; N204-D207 HydrophobicContact CB-CB 4.25Å; N204-D207 WeakPolarHBondContact ND2-CA 3.35Å; N204-D207 PolarHBondContact ND2-N 3.01Å; N204-D207 WeakPolarHBondContact O-CB 3.29Å; N204-D207 PolarHBondContact O-N 3.1Å; E205-D207 PolarHBondContact O-N 3.04Å; D207-K209 PolarHBondContact OD2-N 3.43Å; D207-G210 PolarHBondContact OD2-N 3.12Å; D207-H211 IonicContact OD1-CE1 3.29Å; D207-H211 IonicContact OD1-CG 2.68Å; D207-H211 IonicContact OD1-ND1 3.99Å; D207-H211 PolarHBondContact OD1-ND1 3.35Å; D207-H211 WeakPolarHBondContact OD2-CB 3.46Å; D207-H211 IonicContact OD2-CG 2.7Å; D207-H211 PolarHBondContact OD2-N 3Å; D207-H211 VanDerWaalsContact OD2-N 3.11Å; D207-H211 IonicContact OD2-ND1 3.83Å; D207-H211 PolarHBondContact OD2-ND1 3.17Å; D207-I213 HydrophobicContact CB-CD1 4.27Å; D207-I213 HydrophobicContact CB-CG1 4.21Å
208D88.7Confident93.1Very high122 Ų12251.2 Ų51.265%0.65226%0.256SS*.SBendtrans-86.5-9.1-177.859.8-42000113.9
209K88.2Confident93.2Very high134 Ų13447.4 Ų47.458%0.58324%0.244SC*.SBendtrans-104.611.6-164.2-72.8164.6-176.680.20113.6D207 H211D207-K209 PolarHBondContact OD2-N 3.43Å; K209-H211 PolarHBondContact O-N 2.86Å
210G87.9Confident93.2Very high47 Ų4747.5 Ų47.549%0.48524%0.244SC..  trans63.720.2-174.900000113.5D207D207-G210 PolarHBondContact OD2-N 3.12Å
211H93.9Very high93.2Very high20 Ų2046.6 Ų46.69%0.09324%0.24CC..PPolyproline II helixtrans-68.8151.2171-55136.4000109.9A117 R175 K200 T202 D207 K209 I213A117-H211 PolarHBondContact O-CE1 2.81Å; R175-H211 VanDerWaalsContact CD-O 3.27Å; R175-H211 WeakPolarHBondContact CD-O 3.39Å; R175-H211 PolarHBondContact NH1-O 3.29Å; R175-H211 VanDerWaalsContact NH1-O 3.1Å; K200-H211 VanDerWaalsContact CD-CD2 3.41Å; K200-H211 WeakPolarHBondContact CD-CD2 3.36Å; K200-H211 WeakPolarHBondContact CD-NE2 3.43Å; K200-H211 PolarHBondContact NZ-NE2 2.76Å; T202-H211 HydrophobicContact CG2-CB 3.71Å; D207-H211 IonicContact OD1-CE1 3.29Å; D207-H211 IonicContact OD1-CG 2.68Å; D207-H211 IonicContact OD1-ND1 3.99Å; D207-H211 PolarHBondContact OD1-ND1 3.35Å; D207-H211 WeakPolarHBondContact OD2-CB 3.46Å; D207-H211 IonicContact OD2-CG 2.7Å; D207-H211 PolarHBondContact OD2-N 3Å; D207-H211 VanDerWaalsContact OD2-N 3.11Å; D207-H211 IonicContact OD2-ND1 3.83Å; D207-H211 PolarHBondContact OD2-ND1 3.17Å; K209-H211 PolarHBondContact O-N 2.86Å; H211-I213 PolarHBondContact O-N 3.42Å
212I94.1Very high93.2Very high4 Ų446.8 Ų46.82%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-78.9117.3176.8-71.7175.2000108.4V144 R175 M199 K200 L201 T202 L214V144-I212 HydrophobicContact CB-CG2 4.04Å; V144-I212 HydrophobicContact CG2-CD1 4.43Å; V144-I212 HydrophobicContact CG2-CG2 4.04Å; R175-I212 HydrophobicContact CB-CG1 4.24Å; R175-I212 WeakPolarHBondContact O-CG1 3.2Å; M199-I212 HydrophobicContact CE-CD1 3.73Å; M199-I212 HydrophobicContact CG-CD1 4.37Å; M199-I212 HydrophobicContact SD-CD1 4.08Å; K200-I212 PolarHBondContact O-N 3.29Å; K200-I212 VanDerWaalsContact O-N 3.11Å; L201-I212 WeakPolarHBondContact CA-O 3.44Å; L201-I212 HydrophobicContact CD2-CB 4.22Å; L201-I212 HydrophobicContact CD2-CG2 4.12Å; T202-I212 PolarHBondContact N-O 3Å; I212-L214 HydrophobicContact CG2-CD2 4.06Å; I212-L214 HydrophobicContact CG2-CG 4.25Å
213I94.4Very high93.2Very high19 Ų1950.5 Ų50.510%0.09726%0.256CS..EExtended strand (participates in β ladder)trans-85.1126.1-176.1-58.2170.7000108.5T202 N204 E205 D207 H211T202-I213 HydrophobicContact CG2-CB 4.28Å; T202-I213 HydrophobicContact CG2-CG1 3.73Å; N204-I213 WeakPolarHBondContact O-CG1 3.48Å; E205-I213 HydrophobicContact CG-CG2 4.32Å; E205-I213 WeakPolarHBondContact O-CD1 3.14Å; D207-I213 HydrophobicContact CB-CD1 4.27Å; D207-I213 HydrophobicContact CB-CG1 4.21Å; H211-I213 PolarHBondContact O-N 3.42Å
214L94.2Very high93.2Very high5 Ų547.4 Ų47.43%0.02624%0.239CC..  trans-133.5147174.8-54.8175.5000110.2I114 V144 L201 T202 I212 Y220 F256 T258I114-L214 WeakPolarHBondContact CD1-O 3.27Å; V144-L214 HydrophobicContact CB-CD2 4.1Å; V144-L214 HydrophobicContact CG1-CD1 4.04Å; V144-L214 HydrophobicContact CG1-CD2 3.7Å; L201-L214 HydrophobicContact CB-CD1 4.35Å; L201-L214 HydrophobicContact CD1-CD1 3.91Å; L201-L214 HydrophobicContact CD2-CD1 3.76Å; L201-L214 HydrophobicContact CD2-CG 4.5Å; L201-L214 HydrophobicContact CG-CD1 4.21Å; T202-L214 PolarHBondContact O-N 2.86Å; I212-L214 HydrophobicContact CG2-CD2 4.06Å; I212-L214 HydrophobicContact CG2-CG 4.25Å; L214-Y220 HydrophobicContact CB-CE2 3.95Å; L214-Y220 HydrophobicContact CD1-CD2 4.29Å; L214-Y220 HydrophobicContact CD1-CG 4.41Å; L214-Y220 HydrophobicContact CD2-CD1 3.7Å; L214-Y220 HydrophobicContact CD2-CD2 4.38Å; L214-Y220 HydrophobicContact CD2-CE1 3.59Å; L214-Y220 HydrophobicContact CD2-CE2 4.24Å; L214-Y220 HydrophobicContact CD2-CG 4.11Å; L214-Y220 HydrophobicContact CG-CE2 4.47Å; L214-F256 HydrophobicContact CD1-CE2 4.04Å; L214-F256 HydrophobicContact CD1-CZ 4.19Å; L214-T258 HydrophobicContact CB-CG2 3.89Å; L214-T258 HydrophobicContact CD1-CG2 3.58Å; L214-T258 HydrophobicContact CG-CG2 4.4Å
215Q93.9Very high93.3Very high40 Ų4045.8 Ų45.819%0.18723%0.23CC..  trans-76.9147.9169.4-74.8166.5-20.800109.6H169 I172 Y220 T258H169-Q215 PolarHBondContact CE1-OE1 2.93Å; H169-Q215 PolarHBondContact ND1-OE1 2.78Å; I172-Q215 HydrophobicContact CD1-CB 4.35Å; I172-Q215 HydrophobicContact CD1-CG 3.81Å; I172-Q215 HydrophobicContact CG1-CG 4.4Å; Q215-Y220 PolarHBondContact N-OH 3.06Å; Q215-Y220 VanDerWaalsContact N-OH 3.11Å; Q215-T258 WeakPolarHBondContact O-CB 3.39Å; Q215-T258 PolarHBondContact O-OG1 3.46Å
216S95.1Very high93.4Very high31 Ų3139.7 Ų39.722%0.21720%0.202CC..THydrogen-bonded Turntrans-75.5154.1174.8-166.20000111.1H218 T260S216-H218 PolarHBondContact O-ND1 2.97Å; S216-T260 PolarHBondContact OG-N 2.86Å
217M95.6Very high93.5Very high30 Ų3032.2 Ų32.215%0.14817%0.165CC..THydrogen-bonded Turntrans65.132176.2-46.1-59.7-76.500114.5R151 Y152 W161 T258 V259 Q263R151-M217 HydrophobicContact CG-CB 4.42Å; Y152-M217 PolarHBondContact N-O 2.71Å; Y152-M217 WeakPolarHBondContact O-CB 3.36Å; W161-M217 HydrophobicContact CH2-CE 4.06Å; W161-M217 HydrophobicContact CZ3-CE 3.71Å; M217-T258 VanDerWaalsContact CA-O 3.32Å; M217-T258 WeakPolarHBondContact CA-O 3.32Å; M217-T258 PolarHBondContact N-O 2.86Å; M217-T258 PolarHBondContact N-OG1 2.78Å; M217-V259 HydrophobicContact SD-CG1 4.1Å; M217-Q263 HydrophobicContact CE-CG 4.47Å
218H95.3Very high93.5Very high7 Ų734.5 Ų34.53%0.03218%0.176CC..  trans-128.5157.9177.1-66.689.9000110.5K150 R151 H169 S216 Y220 T257 T258K150-H218 PolarHBondContact O-CD2 2.9Å; R151-H218 WeakPolarHBondContact CA-NE2 3.49Å; R151-H218 WeakPolarHBondContact CB-NE2 3.41Å; H169-H218 AromaticContact CE1-CD2 3.2Å; H169-H218 PolarHBondContact CE1-CD2 2.93Å; H169-H218 AromaticContact CE1-CG 3.57Å; H169-H218 AromaticContact CE1-NE2 3.67Å; H169-H218 AromaticContact NE2-CD2 3.43Å; H169-H218 PolarHBondContact NE2-CD2 3.34Å; H169-H218 AromaticContact NE2-CG 3.99Å; S216-H218 PolarHBondContact O-ND1 2.97Å; H218-Y220 HydrophobicContact CB-CD2 4.4Å; H218-Y220 HydrophobicContact CB-CE2 3.68Å; H218-T257 WeakPolarHBondContact O-CA 3.45Å; H218-T258 PolarHBondContact N-OG1 2.96Å; H218-T258 PolarHBondContact O-N 3.09Å; H218-T258 PolarHBondContact O-OG1 3.24Å; H218-T258 VanDerWaalsContact O-OG1 3.11Å
219K95.8Very high93.1Very high64 Ų6432.3 Ų32.328%0.27816%0.162SC..EExtended strand (participates in β ladder)trans-95.1135.5-179.9-74-179.5-178.71690111.4P146 V147 Y152 F256P146-K219 WeakPolarHBondContact CA-O 3.22Å; V147-K219 HydrophobicContact CB-CB 3.96Å; V147-K219 HydrophobicContact CG2-CB 4.33Å; V147-K219 PolarHBondContact N-O 3.2Å; Y152-K219 HydrophobicContact CD2-CD 4.42Å; Y152-K219 HydrophobicContact CD2-CG 4.09Å; Y152-K219 HydrophobicContact CE1-CD 4.39Å; Y152-K219 HydrophobicContact CE2-CB 4.36Å; Y152-K219 HydrophobicContact CE2-CD 3.65Å; Y152-K219 HydrophobicContact CE2-CG 3.72Å; Y152-K219 VanDerWaalsContact CZ-NZ 3.33Å; Y152-K219 WeakPolarHBondContact OH-CE 3.47Å; Y152-K219 PolarHBondContact OH-NZ 2.97Å; K219-F256 WeakPolarHBondContact CA-O 3.44Å
220Y96.1Very high92.4Very high3 Ų330 Ų301%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-136.1153.4-177.5-67.8-84.3000111.9V144 V145 P146 I172 L214 Q215 H218 E255 F256 T258V144-Y220 HydrophobicContact CG1-CD1 3.95Å; V144-Y220 HydrophobicContact CG1-CG 4Å; V145-Y220 CarbonylContact O-C 3.55Å; V145-Y220 VanDerWaalsContact O-CA 3.27Å; V145-Y220 WeakPolarHBondContact O-CA 3.33Å; V145-Y220 WeakPolarHBondContact O-CD1 3.27Å; P146-Y220 HydrophobicContact CB-CD1 4.22Å; P146-Y220 HydrophobicContact CB-CE1 4.07Å; I172-Y220 WeakPolarHBondContact CD1-OH 3.31Å; L214-Y220 HydrophobicContact CB-CE2 3.95Å; L214-Y220 HydrophobicContact CD1-CD2 4.29Å; L214-Y220 HydrophobicContact CD1-CG 4.41Å; L214-Y220 HydrophobicContact CD2-CD1 3.7Å; L214-Y220 HydrophobicContact CD2-CD2 4.38Å; L214-Y220 HydrophobicContact CD2-CE1 3.59Å; L214-Y220 HydrophobicContact CD2-CE2 4.24Å; L214-Y220 HydrophobicContact CD2-CG 4.11Å; L214-Y220 HydrophobicContact CG-CE2 4.47Å; Q215-Y220 PolarHBondContact N-OH 3.06Å; Q215-Y220 VanDerWaalsContact N-OH 3.11Å; H218-Y220 HydrophobicContact CB-CD2 4.4Å; H218-Y220 HydrophobicContact CB-CE2 3.68Å; Y220-E255 WeakPolarHBondContact O-CA 3.39Å; Y220-F256 PolarHBondContact N-O 2.69Å; Y220-F256 PolarHBondContact O-N 2.94Å; Y220-T258 HydrophobicContact CD2-CG2 3.56Å; Y220-T258 HydrophobicContact CE2-CG2 3.72Å
221K95.7Very high91Very high47 Ų4734.2 Ų34.220%0.20418%0.178CC..EExtended strand (participates in β ladder)trans-126.6126.8173.9178.415549.4-155.70109.5V145 V147 E255V145-K221 HydrophobicContact CG2-CB 4.37Å; V145-K221 WeakPolarHBondContact CG2-O 3.45Å; V145-K221 PolarHBondContact N-O 2.9Å; V145-K221 PolarHBondContact O-N 3.01Å; V147-K221 HydrophobicContact CG2-CB 3.89Å; K221-E255 HydrophobicContact CB-CG 4Å; K221-E255 HydrophobicContact CD-CG 3.8Å; K221-E255 WeakPolarHBondContact CD-OE1 3.24Å; K221-E255 WeakPolarHBondContact CE-OE1 3.38Å; K221-E255 HydrophobicContact CG-CG 4.12Å; K221-E255 IonicContact NZ-OE1 2.69Å; K221-E255 PolarHBondContact NZ-OE1 2.83Å
222P96.5Very high89.2Confident4 Ų438.2 Ų38.23%0.02621%0.208CC..EExtended strand (participates in β ladder)trans-73.6139.1169.230.3-31.3000110.6V125 I142 D143 V144 T254V125-P222 HydrophobicContact CG2-CB 4.41Å; V125-P222 HydrophobicContact CG2-CG 4.15Å; I142-P222 HydrophobicContact CD1-CB 4.04Å; I142-P222 HydrophobicContact CG1-CB 4.26Å; D143-P222 VanDerWaalsContact O-CA 3.31Å; D143-P222 WeakPolarHBondContact O-CA 3.34Å; V144-P222 HydrophobicContact CG2-CB 4.44Å; P222-T254 WeakPolarHBondContact CD-O 3.49Å; P222-T254 WeakPolarHBondContact CG-OG1 3.38Å
223R95.5Very high87.4Confident79 Ų7940.7 Ų40.730%0.29822%0.223SC..EExtended strand (participates in β ladder)trans-115.5135.7167.3-56.1155.860.7-152.410.1108.4I142 D143 V145 T248 F249I142-R223 CarbonylContact C-O 3.54Å; I142-R223 VanDerWaalsContact CA-O 3.27Å; I142-R223 WeakPolarHBondContact CA-O 3.22Å; I142-R223 WeakPolarHBondContact CG1-O 3.4Å; D143-R223 PolarHBondContact N-O 3.19Å; D143-R223 PolarHBondContact O-N 2.68Å; D143-R223 VanDerWaalsContact OD1-CB 3.22Å; D143-R223 WeakPolarHBondContact OD1-CB 3.43Å; D143-R223 VanDerWaalsContact OD1-CD 3.3Å; D143-R223 WeakPolarHBondContact OD1-CD 3.47Å; D143-R223 WeakPolarHBondContact OD1-CG 3.42Å; D143-R223 PolarHBondContact OD1-N 2.95Å; D143-R223 IonicContact OD2-CZ 3.97Å; D143-R223 IonicContact OD2-NE 3.76Å; D143-R223 IonicContact OD2-NH1 2.67Å; D143-R223 PolarHBondContact OD2-NH1 2.93Å; V145-R223 HydrophobicContact CG2-CG 4.14Å; R223-T248 HydrophobicContact CB-CG2 4.08Å; R223-T248 HydrophobicContact CG-CG2 4.46Å; R223-F249 CarbonylContact C-O 3.6Å; R223-F249 WeakPolarHBondContact CA-O 3.45Å
224V95.9Very high85.6Confident3 Ų343 Ų432%0.01824%0.236CC..EExtended strand (participates in β ladder)trans-101.9134.7173.2-174.60000108.2M94 V125 V127 V140 A141 I142 F196 F249M94-V224 HydrophobicContact CE-CB 4.12Å; M94-V224 HydrophobicContact CE-CG1 3.63Å; M94-V224 HydrophobicContact SD-CB 3.71Å; M94-V224 HydrophobicContact SD-CG1 3.75Å; M94-V224 HydrophobicContact SD-CG2 4.34Å; V125-V224 HydrophobicContact CG1-CG2 4.04Å; V127-V224 HydrophobicContact CG1-CG2 4.34Å; V127-V224 HydrophobicContact CG2-CG1 4.38Å; V140-V224 HydrophobicContact CG1-CG1 4.18Å; A141-V224 WeakPolarHBondContact O-CA 3.3Å; A141-V224 WeakPolarHBondContact O-CG1 3.44Å; I142-V224 HydrophobicContact CD1-CG2 4.19Å; I142-V224 HydrophobicContact CG1-CG2 4.23Å; F196-V224 HydrophobicContact CE2-CG1 3.85Å; F196-V224 HydrophobicContact CE2-CG2 3.91Å; F196-V224 HydrophobicContact CZ-CG1 3.9Å; V224-F249 PolarHBondContact N-O 3.25Å; V224-F249 PolarHBondContact O-N 3.3Å
225H93.8Very high84Confident3 Ų343.3 Ų43.31%0.01424%0.237CC..EExtended strand (participates in β ladder)trans-117.8133.3-176.7-52.5-87.3000109.5V140 A141 D143 I227 L241 V246 K247 T248V140-H225 WeakPolarHBondContact CA-O 3.43Å; A141-H225 PolarHBondContact N-O 3.3Å; A141-H225 PolarHBondContact O-N 3.43Å; D143-H225 IonicContact OD1-NE2 3.88Å; D143-H225 IonicContact OD2-CE1 3.51Å; D143-H225 IonicContact OD2-NE2 3.76Å; D143-H225 PolarHBondContact OD2-NE2 3.42Å; H225-I227 HydrophobicContact CB-CG1 4.43Å; H225-L241 HydrophobicContact CB-CD2 3.56Å; H225-V246 HydrophobicContact CB-CG1 4.11Å; H225-K247 WeakPolarHBondContact CA-O 3.42Å; H225-T248 PolarHBondContact ND1-OG1 2.89Å
226V93.3Very high82.1Confident3 Ų346 Ų462%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-106.3125.5163.9-177.40000106.5M94 L132 Y138 K247 F249M94-V226 HydrophobicContact CE-CG2 3.71Å; L132-V226 HydrophobicContact CD2-CG1 3.85Å; Y138-V226 HydrophobicContact CD1-CG1 3.63Å; Y138-V226 HydrophobicContact CE1-CG1 4.37Å; Y138-V226 HydrophobicContact CG-CG1 4.13Å; V226-K247 PolarHBondContact N-O 3.31Å; V226-K247 PolarHBondContact O-N 3.12Å; V226-F249 HydrophobicContact CG2-CE2 4.09Å
227I90.4Very high80Confident6 Ų651.9 Ų51.93%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-121.2122-179-41.7-178.6000107.2Y138 Y139 H225 L235 L241 V246Y138-I227 CarbonylContact C-O 3.55Å; Y138-I227 VanDerWaalsContact CA-O 3.3Å; Y138-I227 WeakPolarHBondContact CA-O 3.45Å; Y139-I227 PolarHBondContact N-O 2.84Å; Y139-I227 PolarHBondContact O-N 2.84Å; H225-I227 HydrophobicContact CB-CG1 4.43Å; I227-L235 HydrophobicContact CB-CD1 4.07Å; I227-L235 HydrophobicContact CD1-CD1 4.07Å; I227-L235 HydrophobicContact CD1-CD2 3.84Å; I227-L235 HydrophobicContact CG2-CD1 3.8Å; I227-L241 HydrophobicContact CD1-CD2 3.83Å; I227-L241 HydrophobicContact CD1-CG 4.04Å; I227-V246 HydrophobicContact CB-CG2 4.36Å; I227-V246 HydrophobicContact CD1-CG2 4.23Å; I227-V246 HydrophobicContact CG1-CG1 4.32Å; I227-V246 HydrophobicContact CG1-CG2 3.95Å; I227-V246 HydrophobicContact CG2-CG2 3.83Å
228E88.9Confident78.2Confident53 Ų5353.6 Ų53.625%0.24829%0.294CS..EExtended strand (participates in β ladder)trans-69.9139.7173-162.3157.8112.400109.8K136 Y138 D230 G245K136-E228 HydrophobicContact CD-CG 4.1Å; K136-E228 VanDerWaalsContact CD-OE1 3.23Å; K136-E228 WeakPolarHBondContact CD-OE1 3.43Å; K136-E228 WeakPolarHBondContact CD-OE2 3.33Å; K136-E228 WeakPolarHBondContact CE-OE1 3.33Å; K136-E228 IonicContact NZ-OE1 3.2Å; K136-E228 PolarHBondContact NZ-OE1 2.93Å; K136-E228 IonicContact NZ-OE2 3.62Å; Y138-E228 HydrophobicContact CD1-CB 4.01Å; Y138-E228 HydrophobicContact CD1-CG 4.2Å; Y138-E228 HydrophobicContact CE1-CB 3.69Å; Y138-E228 HydrophobicContact CE1-CG 3.62Å; Y138-E228 WeakPolarHBondContact CE1-OE2 3.26Å; Y138-E228 VanDerWaalsContact CZ-OE2 3.23Å; Y138-E228 PolarHBondContact OH-OE2 3.22Å; E228-D230 PolarHBondContact O-N 3.46Å; E228-D230 VanDerWaalsContact O-N 3.15Å; E228-G245 PolarHBondContact N-O 3.16Å
229Q81.4Confident76.2Confident77 Ų7760.5 Ų60.536%0.3633%0.326SS..  trans-83.588.7177.7-176.5171.912.600110.4Q137 Y139Q137-Q229 HydrophobicContact CB-CB 3.91Å; Q137-Q229 VanDerWaalsContact CB-OE1 3.23Å; Q137-Q229 WeakPolarHBondContact O-CB 3.5Å; Q137-Q229 PolarHBondContact O-N 2.94Å; Y139-Q229 HydrophobicContact CD2-CB 4.21Å; Y139-Q229 HydrophobicContact CE2-CB 3.94Å; Y139-Q229 HydrophobicContact CE2-CG 3.81Å
230D71.9Confident74.4Confident86 Ų8661.2 Ų61.246%0.4634%0.339SS..  trans-66.2141.8160.5-76.3-48.8000110.6E228 S232 V233E228-D230 PolarHBondContact O-N 3.46Å; E228-D230 VanDerWaalsContact O-N 3.15Å; D230-S232 PolarHBondContact O-N 3.49Å; D230-V233 PolarHBondContact O-N 3.13Å
231S58.4Low72.7Confident135 Ų13563 Ų6394%0.94435%0.349SS*.THydrogen-bonded Turntrans-68.9-0.6-172.755.70000114.9
232S57.3Low71.1Confident104 Ų10462.5 Ų62.573%0.72735%0.35SS*.THydrogen-bonded Turntrans-104.5-12.3-177.554.30000114.7D230D230-S232 PolarHBondContact O-N 3.49Å
233V56.3Low69.1Low56 Ų5669.5 Ų69.534%0.33939%0.394SS..  trans-125.7107.3-168.8-171.70000113D230 L235 L238D230-V233 PolarHBondContact O-N 3.13Å; V233-L235 PolarHBondContact O-N 3.36Å; V233-L238 HydrophobicContact CG1-CD1 3.51Å; V233-L238 HydrophobicContact CG1-CG 4.23Å
234D56.6Low67.4Low68 Ų6873.6 Ų73.636%0.36442%0.416SS..  trans-82.7100.8167.6179.15.1000110.8S236 Q237D234-S236 PolarHBondContact O-N 3.39Å; D234-S236 VanDerWaalsContact O-N 3.08Å; D234-S236 VanDerWaalsContact OD1-CB 3.24Å; D234-S236 WeakPolarHBondContact OD1-CB 3.34Å; D234-S236 PolarHBondContact OD1-N 3.26Å; D234-S236 PolarHBondContact OD1-OG 3.04Å; D234-S236 PolarHBondContact OD2-OG 3.27Å; D234-Q237 PolarHBondContact O-N 3.1Å; D234-Q237 PolarHBondContact OD2-NE2 3.12Å
235L60.9Low66.1Low11 Ų1175.4 Ų75.46%0.05844%0.435CS..THydrogen-bonded Turntrans-62.9-10178.7-79.3156.9000114.6Y139 I227 V233 Q237 L238 P242Y139-L235 HydrophobicContact CD1-CB 4.17Å; Y139-L235 HydrophobicContact CD1-CD1 4.05Å; Y139-L235 HydrophobicContact CD2-CD1 3.41Å; Y139-L235 VanDerWaalsContact CD2-CD1 3.41Å; Y139-L235 HydrophobicContact CE1-CB 4.11Å; Y139-L235 HydrophobicContact CE1-CD1 4.46Å; Y139-L235 HydrophobicContact CE2-CD1 3.87Å; Y139-L235 HydrophobicContact CG-CB 4.47Å; Y139-L235 HydrophobicContact CG-CD1 3.5Å; Y139-L235 VanDerWaalsContact CG-CD1 3.5Å; I227-L235 HydrophobicContact CB-CD1 4.07Å; I227-L235 HydrophobicContact CD1-CD1 4.07Å; I227-L235 HydrophobicContact CD1-CD2 3.84Å; I227-L235 HydrophobicContact CG2-CD1 3.8Å; V233-L235 PolarHBondContact O-N 3.36Å; L235-Q237 PolarHBondContact O-N 2.92Å; L235-L238 HydrophobicContact CD2-CD1 4.14Å; L235-P242 HydrophobicContact CD2-CG 4.05Å
236S53.7Low65.6Low97 Ų9776.8 Ų76.868%0.67844%0.444SS*.THydrogen-bonded Turntrans-72.2-16.9171.676.50000113.4D234D234-S236 PolarHBondContact O-N 3.39Å; D234-S236 VanDerWaalsContact O-N 3.08Å; D234-S236 VanDerWaalsContact OD1-CB 3.24Å; D234-S236 WeakPolarHBondContact OD1-CB 3.34Å; D234-S236 PolarHBondContact OD1-N 3.26Å; D234-S236 PolarHBondContact OD1-OG 3.04Å; D234-S236 PolarHBondContact OD2-OG 3.27Å
237Q51.7Low65.5Low154 Ų15480.2 Ų80.272%0.7246%0.458SS*.SBendtrans-105.2-11.1-175.9-57.1-177.344.500113.5D234 L235D234-Q237 PolarHBondContact O-N 3.1Å; D234-Q237 PolarHBondContact OD2-NE2 3.12Å; L235-Q237 PolarHBondContact O-N 2.92Å
238L56.8Low65.6Low66 Ų6682.7 Ų82.735%0.34647%0.474SS..  trans-85.8127.4-177.6-69.5-171.6000112.8F176 V233 L235 S240 P242F176-L238 WeakPolarHBondContact CZ-O 2.98Å; V233-L238 HydrophobicContact CG1-CD1 3.51Å; V233-L238 HydrophobicContact CG1-CG 4.23Å; L235-L238 HydrophobicContact CD2-CD1 4.14Å; L238-S240 VanDerWaalsContact C-N 3.27Å; L238-S240 WeakPolarHBondContact CB-O 3.31Å; L238-S240 PolarHBondContact O-N 3.28Å; L238-P242 HydrophobicContact CD1-CG 3.83Å
239Q54.2Low65.9Low151 Ų15182.1 Ų82.171%0.70647%0.47SS*.SBendtrans-78.4-11.3174.7-169.5170.5-8.900113.1
240S56.8Low66.5Low80 Ų8081.4 Ų81.456%0.55947%0.474SS*.SBendtrans-143.4150179.354.90000110.2L238L238-S240 VanDerWaalsContact C-N 3.27Å; L238-S240 WeakPolarHBondContact CB-O 3.31Å; L238-S240 PolarHBondContact O-N 3.28Å
241L60.9Low67.6Low39 Ų3979 Ų7920%0.20446%0.46CS..  trans-63147.6174.1-76.579.5000110.9F176 H225 I227 V246F176-L241 HydrophobicContact CB-CD1 3.85Å; F176-L241 HydrophobicContact CD1-CD1 3.53Å; F176-L241 HydrophobicContact CD2-CD1 4.27Å; F176-L241 HydrophobicContact CE1-CD1 4.11Å; F176-L241 HydrophobicContact CG-CD1 3.63Å; H225-L241 HydrophobicContact CB-CD2 3.56Å; I227-L241 HydrophobicContact CD1-CD2 3.83Å; I227-L241 HydrophobicContact CD1-CG 4.04Å; L241-V246 HydrophobicContact CD2-CG1 3.98Å
242P61.4Low69.4Low37 Ų3780.2 Ų80.224%0.2445%0.448CS..  trans-57.2153.7167.8-2333.6000112.3L235 L238 V246L235-P242 HydrophobicContact CD2-CG 4.05Å; L238-P242 HydrophobicContact CD1-CG 3.83Å; P242-V246 HydrophobicContact CB-CG2 4.12Å; P242-V246 HydrophobicContact CG-CG2 4.46Å; P242-V246 WeakPolarHBondContact O-CG2 3.46Å
243T55Low71.3Confident152 Ų15277.1 Ų77.193%0.93342%0.422SS*.SBendtrans-81.4-28.2171.4-48.30000111.7
244E60.2Low73.2Confident165 Ų16574.5 Ų74.577%0.77141%0.406SS*.SBendtrans-100.1149.5-176.6-163.2158.7-152.200110.1V246E244-V246 PolarHBondContact O-N 3.19Å; E244-V246 VanDerWaalsContact O-N 3.07Å
245G69.3Low75.2Confident41 Ų4173.6 Ų73.642%0.42340%0.4SS..SBendtrans69.2-2.7-179.800000117.3E228E228-G245 PolarHBondContact N-O 3.16Å
246V82.9Confident76.9Confident31 Ų3173.3 Ų73.319%0.18840%0.398CS..EExtended strand (participates in β ladder)trans-96.3106.1-175.7-179.40000112.8H225 I227 L241 P242 E244H225-V246 HydrophobicContact CB-CG1 4.11Å; I227-V246 HydrophobicContact CB-CG2 4.36Å; I227-V246 HydrophobicContact CD1-CG2 4.23Å; I227-V246 HydrophobicContact CG1-CG1 4.32Å; I227-V246 HydrophobicContact CG1-CG2 3.95Å; I227-V246 HydrophobicContact CG2-CG2 3.83Å; L241-V246 HydrophobicContact CD2-CG1 3.98Å; P242-V246 HydrophobicContact CB-CG2 4.12Å; P242-V246 HydrophobicContact CG-CG2 4.46Å; P242-V246 WeakPolarHBondContact O-CG2 3.46Å; E244-V246 PolarHBondContact O-N 3.19Å; E244-V246 VanDerWaalsContact O-N 3.07Å
247K89.5Confident79Confident76 Ų7669 Ų6933%0.3337%0.368SS..EExtended strand (participates in β ladder)trans-87.2120.4169.1-60.9-158.3-175.1-171.10110.4I92 H225 V226 F249I92-K247 HydrophobicContact CB-CD 4.08Å; I92-K247 HydrophobicContact CD1-CD 3.84Å; I92-K247 HydrophobicContact CG1-CD 4.29Å; H225-K247 WeakPolarHBondContact CA-O 3.42Å; V226-K247 PolarHBondContact N-O 3.31Å; V226-K247 PolarHBondContact O-N 3.12Å; K247-F249 HydrophobicContact CB-CE2 3.92Å; K247-F249 HydrophobicContact CB-CZ 4.07Å
248T92.9Very high81.2Confident58 Ų5861.7 Ų61.736%0.35633%0.333SS..EExtended strand (participates in β ladder)trans-109.3132.2-173.6-65.20000111.7R223 H225R223-T248 HydrophobicContact CB-CG2 4.08Å; R223-T248 HydrophobicContact CG-CG2 4.46Å; H225-T248 PolarHBondContact ND1-OG1 2.89Å
249F94.9Very high83.1Confident40 Ų4058.5 Ų58.518%0.17532%0.317CS..EExtended strand (participates in β ladder)trans-123.4141.2179.4-56.3-83.8000110.7I92 M94 R223 V224 V226 K247I92-F249 HydrophobicContact CB-CZ 4.24Å; I92-F249 HydrophobicContact CG2-CE2 4.22Å; I92-F249 HydrophobicContact CG2-CZ 3.82Å; I92-F249 WeakPolarHBondContact O-CE1 3.3Å; I92-F249 WeakPolarHBondContact O-CZ 3.43Å; M94-F249 HydrophobicContact CB-CB 4.14Å; M94-F249 HydrophobicContact CB-CD1 3.73Å; M94-F249 HydrophobicContact CB-CD2 4.11Å; M94-F249 HydrophobicContact CB-CE1 4.19Å; M94-F249 HydrophobicContact CB-CG 3.69Å; M94-F249 HydrophobicContact CE-CB 4.29Å; M94-F249 HydrophobicContact CE-CD2 3.37Å; M94-F249 HydrophobicContact CE-CE2 3.96Å; M94-F249 HydrophobicContact CE-CG 3.97Å; M94-F249 HydrophobicContact CG-CB 4.48Å; M94-F249 HydrophobicContact CG-CG 4.39Å; M94-F249 HydrophobicContact SD-CB 3.67Å; M94-F249 HydrophobicContact SD-CD2 3.92Å; M94-F249 HydrophobicContact SD-CG 3.89Å; R223-F249 CarbonylContact C-O 3.6Å; R223-F249 WeakPolarHBondContact CA-O 3.45Å; V224-F249 PolarHBondContact N-O 3.25Å; V224-F249 PolarHBondContact O-N 3.3Å; V226-F249 HydrophobicContact CG2-CE2 4.09Å; K247-F249 HydrophobicContact CB-CE2 3.92Å; K247-F249 HydrophobicContact CB-CZ 4.07Å
250S94.9Very high85.2Confident63 Ų6355.3 Ų55.344%0.44131%0.308SS..EExtended strand (participates in β ladder)trans-148.2147.1173.375.40000111.3
251F96.1Very high87.1Confident35 Ų3554.1 Ų54.115%0.15430%0.303CS..  trans-118.5135.9-174.9-57.1-80.7000109.9M94 L96 V127 E253 T254M94-F251 HydrophobicContact CB-CZ 4.37Å; M94-F251 HydrophobicContact CG-CZ 4.13Å; M94-F251 HydrophobicContact SD-CE2 4.38Å; M94-F251 HydrophobicContact SD-CZ 4.5Å; L96-F251 HydrophobicContact CB-CD1 3.86Å; L96-F251 HydrophobicContact CB-CD2 4.13Å; L96-F251 HydrophobicContact CB-CE1 3.83Å; L96-F251 HydrophobicContact CB-CE2 4.11Å; L96-F251 HydrophobicContact CB-CG 4.02Å; L96-F251 HydrophobicContact CB-CZ 3.96Å; L96-F251 HydrophobicContact CD1-CD2 4.15Å; L96-F251 HydrophobicContact CD1-CE2 4.42Å; L96-F251 HydrophobicContact CD2-CB 4.02Å; L96-F251 HydrophobicContact CD2-CD1 4.43Å; L96-F251 HydrophobicContact CD2-CD2 4.43Å; L96-F251 HydrophobicContact CD2-CG 4.04Å; L96-F251 HydrophobicContact CG-CD2 4.47Å; L96-F251 HydrophobicContact CG-CG 4.44Å; V127-F251 HydrophobicContact CG1-CE2 4.06Å; F251-E253 HydrophobicContact CB-CG 4.48Å; F251-T254 HydrophobicContact CB-CG2 3.89Å; F251-T254 PolarHBondContact O-N 3.49Å; F251-T254 PolarHBondContact O-OG1 2.81Å
252K95.5Very high88.8Confident161 Ų16155.2 Ų55.270%0.730%0.304SS*.G310 helixtrans-71-37-175.2-65.7-177.1-1791790111.4H106 T254 E255H106-K252 PolarHBondContact CE1-O 2.64Å; H106-K252 PolarHBondContact ND1-O 2.93Å; K252-T254 PolarHBondContact O-N 3.49Å; K252-T254 VanDerWaalsContact O-N 3.16Å; K252-E255 WeakPolarHBondContact O-CB 3.29Å; K252-E255 WeakPolarHBondContact O-CG 3.39Å; K252-E255 PolarHBondContact O-N 2.8Å
253E96.1Very high90.6Very high38 Ų3855 Ų5518%0.17830%0.3CS..G310 helixtrans-65.4-14175.261.3-94.5-111.800113.8L96 W102 K103 H106 F251L96-E253 HydrophobicContact CD2-CG 3.58Å; W102-E253 HydrophobicContact CB-CB 4.19Å; W102-E253 HydrophobicContact CB-CG 3.88Å; K103-E253 HydrophobicContact CG-CB 4.13Å; H106-E253 HydrophobicContact CB-CB 4.33Å; F251-E253 HydrophobicContact CB-CG 4.48Å
254T97.1Very high92.5Very high1 Ų148.2 Ų48.21%0.00626%0.258CS..G310 helixtrans-89.30.6176.563.10000114.4L96 W102 P222 F251 K252 F256L96-T254 HydrophobicContact CD1-CG2 4.01Å; L96-T254 HydrophobicContact CD2-CG2 3.7Å; W102-T254 HydrophobicContact CD2-CG2 3.85Å; W102-T254 HydrophobicContact CE3-CG2 3.98Å; W102-T254 HydrophobicContact CG-CG2 4.28Å; W102-T254 HydrophobicContact CH2-CG2 4.42Å; W102-T254 HydrophobicContact CZ2-CG2 4.34Å; W102-T254 HydrophobicContact CZ3-CG2 4.25Å; P222-T254 WeakPolarHBondContact CD-O 3.49Å; P222-T254 WeakPolarHBondContact CG-OG1 3.38Å; F251-T254 HydrophobicContact CB-CG2 3.89Å; F251-T254 PolarHBondContact O-N 3.49Å; F251-T254 PolarHBondContact O-OG1 2.81Å; K252-T254 PolarHBondContact O-N 3.49Å; K252-T254 VanDerWaalsContact O-N 3.16Å; T254-F256 WeakPolarHBondContact O-CD1 3.18Å
255E97.4Very high94.2Very high50 Ų5045.9 Ų45.923%0.23425%0.247CC..  trans-65137.2172.6-67-175.6-176.100111.5T110 V147 Y220 K221 K252T110-E255 WeakPolarHBondContact CB-O 3.48Å; T110-E255 PolarHBondContact OG1-O 2.62Å; V147-E255 HydrophobicContact CG2-CG 4.27Å; Y220-E255 WeakPolarHBondContact O-CA 3.39Å; K221-E255 HydrophobicContact CB-CG 4Å; K221-E255 HydrophobicContact CD-CG 3.8Å; K221-E255 WeakPolarHBondContact CD-OE1 3.24Å; K221-E255 WeakPolarHBondContact CE-OE1 3.38Å; K221-E255 HydrophobicContact CG-CG 4.12Å; K221-E255 IonicContact NZ-OE1 2.69Å; K221-E255 PolarHBondContact NZ-OE1 2.83Å; K252-E255 WeakPolarHBondContact O-CB 3.29Å; K252-E255 WeakPolarHBondContact O-CG 3.39Å; K252-E255 PolarHBondContact O-N 2.8Å
256F97.8Very high95.4Very high4 Ų449.5 Ų49.52%0.01825%0.253CS..EExtended strand (participates in β ladder)trans-145.3154.6-178.464.1-100.8000113.9T110 M112 M121 V144 L201 L214 K219 Y220 T254 T258T110-F256 HydrophobicContact CG2-CB 3.67Å; T110-F256 CarbonylContact O-C 3.55Å; T110-F256 VanDerWaalsContact O-CA 3.24Å; T110-F256 WeakPolarHBondContact O-CA 3.16Å; T110-F256 WeakPolarHBondContact O-CB 3.45Å; M112-F256 HydrophobicContact CB-CD2 3.64Å; M112-F256 HydrophobicContact CB-CE2 3.9Å; M112-F256 HydrophobicContact CB-CG 4.19Å; M112-F256 HydrophobicContact CE-CD1 4.43Å; M112-F256 HydrophobicContact CG-CB 3.86Å; M112-F256 HydrophobicContact CG-CD1 3.92Å; M112-F256 HydrophobicContact CG-CD2 3.48Å; M112-F256 VanDerWaalsContact CG-CD2 3.48Å; M112-F256 HydrophobicContact CG-CE1 4.32Å; M112-F256 HydrophobicContact CG-CE2 3.91Å; M112-F256 HydrophobicContact CG-CG 3.49Å; M112-F256 VanDerWaalsContact CG-CG 3.49Å; M112-F256 HydrophobicContact CG-CZ 4.32Å; M121-F256 HydrophobicContact SD-CE1 4.22Å; M121-F256 HydrophobicContact SD-CZ 4.47Å; V144-F256 HydrophobicContact CG1-CZ 4.01Å; L201-F256 HydrophobicContact CD1-CE2 3.95Å; L201-F256 HydrophobicContact CD1-CZ 3.86Å; L214-F256 HydrophobicContact CD1-CE2 4.04Å; L214-F256 HydrophobicContact CD1-CZ 4.19Å; K219-F256 WeakPolarHBondContact CA-O 3.44Å; Y220-F256 PolarHBondContact N-O 2.69Å; Y220-F256 PolarHBondContact O-N 2.94Å; T254-F256 WeakPolarHBondContact O-CD1 3.18Å; F256-T258 HydrophobicContact CD2-CG2 4.31Å; F256-T258 HydrophobicContact CE2-CG2 3.85Å
257T97.6Very high96.1Very high7 Ų748 Ų484%0.04325%0.245CC..EExtended strand (participates in β ladder)trans-94132.3167.5-50.20000109.9T110 E111 M112 W161 H218T110-T257 PolarHBondContact O-N 3.26Å; E111-T257 WeakPolarHBondContact CA-O 3.31Å; M112-T257 PolarHBondContact N-O 3.08Å; W161-T257 HydrophobicContact CE3-CG2 4.41Å; W161-T257 HydrophobicContact CH2-CG2 3.65Å; W161-T257 HydrophobicContact CZ2-CG2 4.01Å; W161-T257 HydrophobicContact CZ3-CG2 3.88Å; H218-T257 WeakPolarHBondContact O-CA 3.45Å
258T97.2Very high96.4Very high0 Ų045.9 Ų45.90%024%0.238CC..EExtended strand (participates in β ladder)trans-77.9139.3172.447.20000111.8I114 L214 Q215 M217 H218 Y220 F256I114-T258 HydrophobicContact CG2-CG2 3.94Å; L214-T258 HydrophobicContact CB-CG2 3.89Å; L214-T258 HydrophobicContact CD1-CG2 3.58Å; L214-T258 HydrophobicContact CG-CG2 4.4Å; Q215-T258 WeakPolarHBondContact O-CB 3.39Å; Q215-T258 PolarHBondContact O-OG1 3.46Å; M217-T258 VanDerWaalsContact CA-O 3.32Å; M217-T258 WeakPolarHBondContact CA-O 3.32Å; M217-T258 PolarHBondContact N-O 2.86Å; M217-T258 PolarHBondContact N-OG1 2.78Å; H218-T258 PolarHBondContact N-OG1 2.96Å; H218-T258 PolarHBondContact O-N 3.09Å; H218-T258 PolarHBondContact O-OG1 3.24Å; H218-T258 VanDerWaalsContact O-OG1 3.11Å; Y220-T258 HydrophobicContact CD2-CG2 3.56Å; Y220-T258 HydrophobicContact CE2-CG2 3.72Å; F256-T258 HydrophobicContact CD2-CG2 4.31Å; F256-T258 HydrophobicContact CE2-CG2 3.85Å
259V97.9Very high96.5Very high0 Ų049.7 Ų49.70%025%0.249CC..EExtended strand (participates in β ladder)trans-144.4152.5177.9-64.60000111.1E111 M112 I113 I114 W161 M217 A261 Y262 Q263E111-V259 HydrophobicContact CB-CG2 4.04Å; M112-V259 PolarHBondContact O-N 2.76Å; I113-V259 CarbonylContact C-O 3.4Å; I113-V259 VanDerWaalsContact CA-O 3.27Å; I113-V259 WeakPolarHBondContact CA-O 3.49Å; I113-V259 HydrophobicContact CD1-CG2 4.01Å; I114-V259 PolarHBondContact N-O 3Å; W161-V259 HydrophobicContact CH2-CG1 3.81Å; W161-V259 HydrophobicContact CZ2-CG1 4.3Å; M217-V259 HydrophobicContact SD-CG1 4.1Å; V259-A261 WeakPolarHBondContact CB-O 3.39Å; V259-Y262 HydrophobicContact CG2-CD1 4.33Å; V259-Q263 HydrophobicContact CG1-CG 4.02Å
260T97.3Very high96.6Very high84 Ų8448.5 Ų48.552%0.51525%0.245SC..SBendtrans-84.2-26.3169.947.80000112.5S216S216-T260 PolarHBondContact OG-N 2.86Å
261A97Very high96.7Very high54 Ų5445.8 Ų45.845%0.44623%0.225SC..SBendtrans-145.6147.3171.400000109.1V259 Q263V259-A261 WeakPolarHBondContact CB-O 3.39Å; A261-Q263 PolarHBondContact O-N 2.6Å; A261-Q263 PolarHBondContact O-NE2 2.86Å
262Y97.7Very high96.6Very high62 Ų6246.2 Ų46.224%0.24323%0.228CC..  trans-61.1137.7-177.6-65.3-59.7000112E111 I113 V259 I267 T268 K271E111-Y262 HydrophobicContact CB-CD1 3.93Å; E111-Y262 HydrophobicContact CB-CE1 4.24Å; E111-Y262 WeakPolarHBondContact OE2-CA 3.38Å; E111-Y262 WeakPolarHBondContact OE2-CD1 3.44Å; I113-Y262 HydrophobicContact CD1-CD1 3.99Å; I113-Y262 HydrophobicContact CD1-CD2 4.13Å; I113-Y262 HydrophobicContact CD1-CE1 4.01Å; I113-Y262 HydrophobicContact CD1-CE2 4.15Å; I113-Y262 HydrophobicContact CD1-CG 4.05Å; I113-Y262 HydrophobicContact CG1-CD1 4.1Å; I113-Y262 HydrophobicContact CG1-CD2 4.37Å; I113-Y262 HydrophobicContact CG1-CE1 3.58Å; I113-Y262 HydrophobicContact CG1-CE2 3.89Å; I113-Y262 HydrophobicContact CG1-CG 4.46Å; I113-Y262 VanDerWaalsContact CG1-CZ 3.46Å; V259-Y262 HydrophobicContact CG2-CD1 4.33Å; Y262-I267 HydrophobicContact CD1-CG2 4.18Å; Y262-I267 HydrophobicContact CE1-CG2 4.26Å; Y262-T268 VanDerWaalsContact CB-OG1 3.3Å; Y262-T268 WeakPolarHBondContact CB-OG1 3.27Å; Y262-K271 HydrophobicContact CE1-CD 4.36Å; Y262-K271 HydrophobicContact CE1-CG 4.14Å; Y262-K271 HydrophobicContact CE2-CG 4.3Å
263Q97.4Very high96.6Very high33 Ų3343.3 Ų43.315%0.15422%0.217CC..  trans-98.5-53179.9-52.4-64.7-74.100110.6E111 Y154 Y156 W161 M217 V259 A261 Q265E111-Q263 PolarHBondContact OE1-N 3.33Å; E111-Q263 PolarHBondContact OE2-N 3.17Å; Y154-Q263 HydrophobicContact CD1-CB 3.78Å; Y154-Q263 HydrophobicContact CD2-CB 4.22Å; Y154-Q263 HydrophobicContact CE1-CB 4.49Å; Y154-Q263 HydrophobicContact CG-CB 3.61Å; Y154-Q263 HydrophobicContact CG-CG 4.49Å; Y156-Q263 VanDerWaalsContact OH-CD 3.25Å; Y156-Q263 PolarHBondContact OH-OE1 2.88Å; W161-Q263 HydrophobicContact CH2-CB 4.29Å; W161-Q263 HydrophobicContact CH2-CG 3.77Å; W161-Q263 HydrophobicContact CZ2-CB 4.19Å; W161-Q263 HydrophobicContact CZ2-CG 4.14Å; M217-Q263 HydrophobicContact CE-CG 4.47Å; V259-Q263 HydrophobicContact CG1-CG 4.02Å; A261-Q263 PolarHBondContact O-N 2.6Å; A261-Q263 PolarHBondContact O-NE2 2.86Å; Q263-Q265 PolarHBondContact O-N 3.11Å
264N95.8Very high96.5Very high10 Ų1047.8 Ų47.85%0.05323%0.233CC..  trans-80.5118.4176.9-173-8.7000111.4I108 E111 Y154 Q266 I267 T268I108-N264 VanDerWaalsContact CG2-ND2 3.31Å; I108-N264 WeakPolarHBondContact CG2-ND2 3.4Å; I108-N264 PolarHBondContact O-ND2 3.37Å; E111-N264 WeakPolarHBondContact OE1-CB 3.27Å; E111-N264 PolarHBondContact OE1-N 3.38Å; Y154-N264 HydrophobicContact CE2-CB 4Å; N264-Q266 VanDerWaalsContact C-N 3.25Å; N264-Q266 PolarHBondContact ND2-OE1 3.45Å; N264-Q266 PolarHBondContact O-N 3.45Å; N264-Q266 WeakPolarHBondContact OD1-CB 3.48Å; N264-Q266 PolarHBondContact OD1-N 3.45Å; N264-I267 HydrophobicContact CB-CB 4.44Å; N264-I267 HydrophobicContact CB-CG1 3.99Å; N264-I267 WeakPolarHBondContact O-CB 3.37Å; N264-I267 PolarHBondContact O-N 3.28Å; N264-I267 VanDerWaalsContact O-N 3.13Å; N264-T268 PolarHBondContact O-N 3.29Å; N264-T268 VanDerWaalsContact O-N 3.17Å; N264-T268 PolarHBondContact O-OG1 3.16Å
265Q95.1Very high96.4Very high115 Ų11548.7 Ų48.754%0.53724%0.237SC..Hα-helixtrans-65.4-24.6177.9-63.4-59.2-31.100113.7Q263 T268 K269Q263-Q265 PolarHBondContact O-N 3.11Å; Q265-T268 PolarHBondContact O-N 2.67Å; Q265-K269 WeakPolarHBondContact O-CG 3.43Å; Q265-K269 PolarHBondContact O-N 2.91Å
266Q96.1Very high96.2Very high118 Ų11850.6 Ų50.655%0.55125%0.254SS*.Hα-helixtrans-65.7-41.2172.7-63.4173.5-26.700111I108 N264 K269 L270I108-Q266 HydrophobicContact CG2-CB 3.68Å; N264-Q266 VanDerWaalsContact C-N 3.25Å; N264-Q266 PolarHBondContact ND2-OE1 3.45Å; N264-Q266 PolarHBondContact O-N 3.45Å; N264-Q266 WeakPolarHBondContact OD1-CB 3.48Å; N264-Q266 PolarHBondContact OD1-N 3.45Å; Q266-K269 PolarHBondContact O-N 3.4Å; Q266-L270 PolarHBondContact O-N 3.11Å
267I96.6Very high95.9Very high0 Ų059.5 Ų59.50%029%0.293CS..Hα-helixtrans-61.2-49.1171.8-61.3-68.6000109.4F105 I108 G109 E111 Y262 N264 K269 L270 K271F105-I267 HydrophobicContact CD1-CD1 3.98Å; F105-I267 HydrophobicContact CD1-CG2 4.43Å; F105-I267 HydrophobicContact CE1-CG2 4.33Å; I108-I267 HydrophobicContact CB-CD1 3.67Å; I108-I267 HydrophobicContact CB-CG1 4.49Å; I108-I267 HydrophobicContact CG2-CD1 3.47Å; I108-I267 VanDerWaalsContact CG2-CD1 3.47Å; I108-I267 HydrophobicContact CG2-CG1 3.74Å; G109-I267 VanDerWaalsContact O-CD1 3.29Å; G109-I267 WeakPolarHBondContact O-CD1 3.5Å; E111-I267 HydrophobicContact CB-CG2 4.08Å; E111-I267 HydrophobicContact CG-CG1 4.31Å; E111-I267 HydrophobicContact CG-CG2 4.45Å; Y262-I267 HydrophobicContact CD1-CG2 4.18Å; Y262-I267 HydrophobicContact CE1-CG2 4.26Å; N264-I267 HydrophobicContact CB-CB 4.44Å; N264-I267 HydrophobicContact CB-CG1 3.99Å; N264-I267 WeakPolarHBondContact O-CB 3.37Å; N264-I267 PolarHBondContact O-N 3.28Å; N264-I267 VanDerWaalsContact O-N 3.13Å; I267-K269 VanDerWaalsContact C-N 3.32Å; I267-K269 PolarHBondContact O-N 3.24Å; I267-L270 PolarHBondContact O-N 2.83Å; I267-L270 VanDerWaalsContact O-N 3.16Å; I267-K271 HydrophobicContact CG2-CD 4.33Å; I267-K271 HydrophobicContact CG2-CG 3.87Å; I267-K271 WeakPolarHBondContact O-CG 3.46Å; I267-K271 PolarHBondContact O-N 2.89Å
268T95.8Very high95.6Very high30 Ų3059.8 Ų59.818%0.18430%0.296CS..Hα-helixtrans-52.3-47.6178-56.30000112.3Y262 N264 Q265 K271 I272Y262-T268 VanDerWaalsContact CB-OG1 3.3Å; Y262-T268 WeakPolarHBondContact CB-OG1 3.27Å; N264-T268 PolarHBondContact O-N 3.29Å; N264-T268 VanDerWaalsContact O-N 3.17Å; N264-T268 PolarHBondContact O-OG1 3.16Å; Q265-T268 PolarHBondContact O-N 2.67Å; T268-K271 PolarHBondContact O-N 3.13Å; T268-I272 HydrophobicContact CG2-CD1 4Å; T268-I272 VanDerWaalsContact O-CG1 3.31Å; T268-I272 WeakPolarHBondContact O-CG1 3.43Å; T268-I272 PolarHBondContact O-N 3.18Å
269K95.6Very high95.2Very high138 Ų13866.7 Ų66.760%0.633%0.326SS*.Hα-helixtrans-60.8-51176.1-71-179.5180-171.60112.1Q265 Q266 I267 K271 I272 E273Q265-K269 WeakPolarHBondContact O-CG 3.43Å; Q265-K269 PolarHBondContact O-N 2.91Å; Q266-K269 PolarHBondContact O-N 3.4Å; I267-K269 VanDerWaalsContact C-N 3.32Å; I267-K269 PolarHBondContact O-N 3.24Å; K269-K271 VanDerWaalsContact C-N 3.31Å; K269-K271 PolarHBondContact O-N 2.77Å; K269-I272 WeakPolarHBondContact O-CA 3.3Å; K269-I272 WeakPolarHBondContact O-CB 3.34Å; K269-I272 PolarHBondContact O-N 2.93Å; K269-E273 WeakPolarHBondContact O-CG 3.38Å; K269-E273 PolarHBondContact O-N 3.43Å
270L96.3Very high94.9Very high16 Ų1670.3 Ų70.38%0.08436%0.364CS..Hα-helixtrans-63.3-34.7179.9-171.764.8000112.4R104 F105 I108 Q266 I267 R274R104-L270 HydrophobicContact CB-CD2 4.13Å; R104-L270 WeakPolarHBondContact O-CD2 3.45Å; F105-L270 HydrophobicContact CD1-CD2 3.68Å; F105-L270 HydrophobicContact CD1-CG 4.28Å; F105-L270 HydrophobicContact CD2-CD2 4.23Å; F105-L270 HydrophobicContact CE1-CB 3.87Å; F105-L270 HydrophobicContact CE1-CD2 3.6Å; F105-L270 HydrophobicContact CE1-CG 3.67Å; F105-L270 HydrophobicContact CE2-CD2 4.18Å; F105-L270 HydrophobicContact CE2-CG 4.21Å; F105-L270 HydrophobicContact CG-CD2 3.98Å; F105-L270 HydrophobicContact CZ-CB 4.16Å; F105-L270 HydrophobicContact CZ-CD2 3.86Å; F105-L270 HydrophobicContact CZ-CG 3.63Å; I108-L270 HydrophobicContact CD1-CD2 3.95Å; Q266-L270 PolarHBondContact O-N 3.11Å; I267-L270 PolarHBondContact O-N 2.83Å; I267-L270 VanDerWaalsContact O-N 3.16Å; L270-R274 HydrophobicContact CD1-CG 3.69Å; L270-R274 HydrophobicContact CG-CG 4.25Å; L270-R274 VanDerWaalsContact O-CB 3.28Å; L270-R274 WeakPolarHBondContact O-CB 3.44Å; L270-R274 VanDerWaalsContact O-CG 3.3Å; L270-R274 WeakPolarHBondContact O-CG 3.39Å; L270-R274 PolarHBondContact O-N 3.2Å
271K96.4Very high94.4Very high6 Ų673.6 Ų73.63%0.02637%0.372CS..Hα-helixtrans-63.4-44.2170.6-61-74.9-169.8-154.20110.6F105 E111 F122 Y262 I267 T268 K269 N275F105-K271 HydrophobicContact CD1-CD 4.47Å; F105-K271 HydrophobicContact CE1-CD 3.56Å; F105-K271 HydrophobicContact CE1-CG 3.88Å; F105-K271 HydrophobicContact CZ-CD 3.72Å; F105-K271 HydrophobicContact CZ-CG 4.22Å; E111-K271 WeakPolarHBondContact O-CE 3.41Å; E111-K271 PolarHBondContact O-NZ 2.86Å; F122-K271 HydrophobicContact CD1-CD 3.86Å; F122-K271 PolarHBondContact O-NZ 3.16Å; Y262-K271 HydrophobicContact CE1-CD 4.36Å; Y262-K271 HydrophobicContact CE1-CG 4.14Å; Y262-K271 HydrophobicContact CE2-CG 4.3Å; I267-K271 HydrophobicContact CG2-CD 4.33Å; I267-K271 HydrophobicContact CG2-CG 3.87Å; I267-K271 WeakPolarHBondContact O-CG 3.46Å; I267-K271 PolarHBondContact O-N 2.89Å; T268-K271 PolarHBondContact O-N 3.13Å; K269-K271 VanDerWaalsContact C-N 3.31Å; K269-K271 PolarHBondContact O-N 2.77Å; K271-N275 WeakPolarHBondContact O-CB 3.36Å; K271-N275 PolarHBondContact O-N 3.29Å
272I95.4Very high94.1Very high43 Ų4375 Ų7522%0.22137%0.365CS..Hα-helixtrans-63.2-48.3178.4-72.6166.3000111.6T268 K269 F281 R282T268-I272 HydrophobicContact CG2-CD1 4Å; T268-I272 VanDerWaalsContact O-CG1 3.31Å; T268-I272 WeakPolarHBondContact O-CG1 3.43Å; T268-I272 PolarHBondContact O-N 3.18Å; K269-I272 WeakPolarHBondContact O-CA 3.3Å; K269-I272 WeakPolarHBondContact O-CB 3.34Å; K269-I272 PolarHBondContact O-N 2.93Å; I272-F281 HydrophobicContact CD1-CB 4.04Å; I272-F281 HydrophobicContact CG1-CB 3.99Å; I272-F281 HydrophobicContact CG2-CB 3.9Å; I272-F281 WeakPolarHBondContact CG2-O 3.48Å; I272-R282 HydrophobicContact CG2-CB 4.42Å; I272-R282 HydrophobicContact CG2-CG 3.7Å; I272-R282 PolarHBondContact O-NE 3.35Å; I272-R282 PolarHBondContact O-NH2 3.32Å
273E94.8Very high92.9Very high100 Ų10080.2 Ų80.247%0.46740%0.397SS..Hα-helixtrans-63-39.8179.4-72.5168.9-14700113.5K269 R282K269-E273 WeakPolarHBondContact O-CG 3.38Å; K269-E273 PolarHBondContact O-N 3.43Å; E273-R282 PolarHBondContact O-NE 3.34Å; E273-R282 PolarHBondContact O-NH1 2.85Å; E273-R282 VanDerWaalsContact O-NH1 3.16Å; E273-R282 PolarHBondContact O-NH2 3.46Å
274R95.1Very high91Very high133 Ų13384.3 Ų84.350%0.50243%0.425SS..Hα-helixtrans-101.1-27.7-169.7-55.9-59.9-179.7123.3-0.7113.7L101 F122 L270 P276L101-R274 HydrophobicContact CD1-CB 4.02Å; L101-R274 HydrophobicContact CD1-CG 3.84Å; F122-R274 HydrophobicContact CE1-CB 4.08Å; F122-R274 VanDerWaalsContact CZ-C 3.46Å; F122-R274 HydrophobicContact CZ-CB 4.03Å; F122-R274 WeakPolarHBondContact CZ-O 3.37Å; L270-R274 HydrophobicContact CD1-CG 3.69Å; L270-R274 HydrophobicContact CG-CG 4.25Å; L270-R274 VanDerWaalsContact O-CB 3.28Å; L270-R274 WeakPolarHBondContact O-CB 3.44Å; L270-R274 VanDerWaalsContact O-CG 3.3Å; L270-R274 WeakPolarHBondContact O-CG 3.39Å; L270-R274 PolarHBondContact O-N 3.2Å; R274-P276 WeakPolarHBondContact O-CD 3.45Å
275N94.2Very high89.1Confident19 Ų1986.7 Ų86.710%0.10245%0.451CS..  trans-79.2121.6178.9-170.4-22.2000111F122 K271 F277 A278 R282F122-N275 HydrophobicContact CD1-CB 3.87Å; F122-N275 HydrophobicContact CD2-CB 3.98Å; F122-N275 HydrophobicContact CE1-CB 3.76Å; F122-N275 HydrophobicContact CE2-CB 3.88Å; F122-N275 HydrophobicContact CG-CB 3.99Å; F122-N275 VanDerWaalsContact CZ-CA 3.43Å; F122-N275 HydrophobicContact CZ-CB 3.78Å; K271-N275 WeakPolarHBondContact O-CB 3.36Å; K271-N275 PolarHBondContact O-N 3.29Å; N275-F277 VanDerWaalsContact C-N 3.27Å; N275-F277 PolarHBondContact O-N 3.35Å; N275-F277 WeakPolarHBondContact OD1-CB 3.47Å; N275-F277 WeakPolarHBondContact OD1-CD2 3.18Å; N275-F277 PolarHBondContact OD1-N 3.37Å; N275-A278 HydrophobicContact CB-CB 3.99Å; N275-A278 PolarHBondContact O-N 3.36Å; N275-A278 VanDerWaalsContact O-N 3.1Å; N275-R282 PolarHBondContact O-NH2 3.31Å
276P92.8Very high87.2Confident91 Ų9192.9 Ų92.959%0.59147%0.47SS*.G310 helixtrans-58.4-37.6176-24.635.3000113R274 A278 K279R274-P276 WeakPolarHBondContact O-CD 3.45Å; P276-A278 PolarHBondContact O-N 2.97Å; P276-K279 WeakPolarHBondContact O-CB 3.4Å; P276-K279 PolarHBondContact O-N 3.02Å; P276-K279 VanDerWaalsContact O-N 3.17Å
277F91.4Very high85Confident190 Ų19095.2 Ų95.283%0.83349%0.486SS*.G310 helixtrans-71.7-9.2179.4-57.5-73.8000113.5N275N275-F277 VanDerWaalsContact C-N 3.27Å; N275-F277 PolarHBondContact O-N 3.35Å; N275-F277 WeakPolarHBondContact OD1-CB 3.47Å; N275-F277 WeakPolarHBondContact OD1-CD2 3.18Å; N275-F277 PolarHBondContact OD1-N 3.37Å
278A91.9Very high82.8Confident14 Ų14104.7 Ų104.712%0.11652%0.522CS..G310 helixtrans-101.97.1174.300000113.2N275 P276 G280 F281N275-A278 HydrophobicContact CB-CB 3.99Å; N275-A278 PolarHBondContact O-N 3.36Å; N275-A278 VanDerWaalsContact O-N 3.1Å; P276-A278 PolarHBondContact O-N 2.97Å; A278-G280 PolarHBondContact O-N 3.21Å; A278-G280 VanDerWaalsContact O-N 3.1Å; A278-F281 PolarHBondContact O-N 3.47Å
279K89.3Confident80.2Confident144 Ų144106.3 Ų106.363%0.62655%0.545SS*.G310 helixtrans-52.7-35.9-175.7-173.6-178.1177.1-173.50113.7P276 F281 R282P276-K279 WeakPolarHBondContact O-CB 3.4Å; P276-K279 PolarHBondContact O-N 3.02Å; P276-K279 VanDerWaalsContact O-N 3.17Å; K279-F281 PolarHBondContact O-N 3.14Å; K279-R282 WeakPolarHBondContact O-CB 3.43Å; K279-R282 PolarHBondContact O-N 3.36Å; K279-R282 VanDerWaalsContact O-N 3.12Å
280G89.9Confident78.1Confident77 Ų77107.1 Ų107.179%0.79456%0.561SS**G310 helixtrans-67.1-11.2178.300000115.6A278A278-G280 PolarHBondContact O-N 3.21Å; A278-G280 VanDerWaalsContact O-N 3.1Å
281F88.4Confident75.9Confident153 Ų153114 Ų11467%0.67160%0.597SS**G310 helixtrans-99.4-2.1173.8-61.9-77.9000113.3I272 A278 K279I272-F281 HydrophobicContact CD1-CB 4.04Å; I272-F281 HydrophobicContact CG1-CB 3.99Å; I272-F281 HydrophobicContact CG2-CB 3.9Å; I272-F281 WeakPolarHBondContact CG2-O 3.48Å; A278-F281 PolarHBondContact O-N 3.47Å; K279-F281 PolarHBondContact O-N 3.14Å
282R90.4Very high73.3Confident84 Ų84118.3 Ų118.332%0.31762%0.62SS.*SBendtrans-75133.3170.5-58175.4-165.5-173.56.4107.5I272 E273 N275 K279 T284I272-R282 HydrophobicContact CG2-CB 4.42Å; I272-R282 HydrophobicContact CG2-CG 3.7Å; I272-R282 PolarHBondContact O-NE 3.35Å; I272-R282 PolarHBondContact O-NH2 3.32Å; E273-R282 PolarHBondContact O-NE 3.34Å; E273-R282 PolarHBondContact O-NH1 2.85Å; E273-R282 VanDerWaalsContact O-NH1 3.16Å; E273-R282 PolarHBondContact O-NH2 3.46Å; N275-R282 PolarHBondContact O-NH2 3.31Å; K279-R282 WeakPolarHBondContact O-CB 3.43Å; K279-R282 PolarHBondContact O-N 3.36Å; K279-R282 VanDerWaalsContact O-N 3.12Å; R282-T284 VanDerWaalsContact C-N 3.27Å; R282-T284 PolarHBondContact O-N 3.28Å; R282-T284 PolarHBondContact O-OG1 3.36Å
283D72Confident70.9Confident170 Ų170120.4 Ų120.491%0.90965%0.653SS**  trans-61.480-171.4-67.1-67.1000113.5G285D283-G285 VanDerWaalsContact C-N 3.29Å; D283-G285 PolarHBondContact O-N 3.48Å
284T58.3Low68.8Low119 Ų119123.2 Ų123.273%0.7367%0.67SS**  trans-88.170.9-172.8-52.30000109.4R282 R286R282-T284 VanDerWaalsContact C-N 3.27Å; R282-T284 PolarHBondContact O-N 3.28Å; R282-T284 PolarHBondContact O-OG1 3.36Å; T284-R286 PolarHBondContact O-N 2.88Å; T284-R286 VanDerWaalsContact O-N 3.08Å
285G56.1Low66.5Low60 Ų60124.2 Ų124.262%0.61969%0.685SS**  trans63.324154.400000117.9D283 N287 R288D283-G285 VanDerWaalsContact C-N 3.29Å; D283-G285 PolarHBondContact O-N 3.48Å; G285-N287 PolarHBondContact O-N 2.81Å; G285-R288 PolarHBondContact O-N 2.95Å
286R54.2Low64Low245 Ų245132.3 Ų132.393%0.92572%0.722SS**THydrogen-bonded Turntrans-72.348.6174.1-161.2-169175.9179-0.6112.7T284T284-R286 PolarHBondContact O-N 2.88Å; T284-R286 VanDerWaalsContact O-N 3.08Å
287N50.5Low61.4Low168 Ų168134.5 Ų134.590%0.89873%0.734SS**THydrogen-bonded Turntrans-172.238.1165.9-94.5-20.7000113.6G285G285-N287 PolarHBondContact O-N 2.81Å
288R49.3Very low58.8Low198 Ų198135.1 Ų135.175%0.74773%0.732SS**  trans-111.1121.3148.1-83.8-157.7-169.7-115.1-0.4108.9G285 D292G285-R288 PolarHBondContact O-N 2.95Å; R288-D292 IonicContact CZ-OD2 2.75Å; R288-D292 IonicContact NE-OD2 3.9Å; R288-D292 IonicContact NH1-OD2 2.76Å; R288-D292 PolarHBondContact NH1-OD2 2.78Å
289G41.9Very low56.6Low65 Ų65139.9 Ų139.967%0.6776%0.761SS**  trans-90.3118.9-178.500000112.3L291G289-L291 PolarHBondContact O-N 2.82Å
290V51.7Low54.1Low155 Ų155144 Ų14494%0.93977%0.773SS**SBendtrans63.1-22.9144.7-1770000119.5
291L49.2Very low51.6Low160 Ų160150.7 Ų150.784%0.83878%0.775SS**SBendtrans-133.729.2-164.6-15079000116.1G289G289-L291 PolarHBondContact O-N 2.82Å
292D43.2Very low49Very low96 Ų96149.1 Ų149.151%0.51378%0.78SS.*  trans-141.419.4-177.9-144.24.2000113.6R288 L294R288-D292 IonicContact CZ-OD2 2.75Å; R288-D292 IonicContact NE-OD2 3.9Å; R288-D292 IonicContact NH1-OD2 2.76Å; R288-D292 PolarHBondContact NH1-OD2 2.78Å; D292-L294 VanDerWaalsContact C-N 3.31Å; D292-L294 PolarHBondContact O-N 3.34Å
293G44.5Very low46.2Very low87 Ų87150.4 Ų150.490%0.89780%0.802SS**THydrogen-bonded Turntrans-86.527.1-171.100000115.8
294L49.6Very low44.5Very low160 Ų160151.4 Ų151.484%0.83880%0.798SS**THydrogen-bonded Turntrans-129.2-7.7-170.3-150.7104.9000115.9D292D292-L294 VanDerWaalsContact C-N 3.31Å; D292-L294 PolarHBondContact O-N 3.34Å
295L48.4Very low43.2Very low154 Ų154152.2 Ų152.281%0.80680%0.803SS**SBendtrans-136.428.5-168.4-14287.8000117.2
296E41.3Very low42.3Very low189 Ų189155.8 Ų155.888%0.88381%0.807SS**  trans-124.377.4168.1-106.2-176.6-167.400111.5
297T38.8Very low41.2Very low136 Ų136149.9 Ų149.983%0.83479%0.794SS**  trans-83.1124.5173.2-63.30000110.1
298Y36.5Very low40.5Very low203 Ų203150.1 Ų150.180%0.79679%0.788SS**  trans-59.5131.9-173.3-65.5-84.6000114.3W300Y298-W300 PolarHBondContact O-N 2.57Å; Y298-W300 VanDerWaalsContact O-N 3.12Å
299P45.9Very low39.8Very low114 Ų114149 Ų14974%0.7479%0.788SS**SBendtrans-81.319.1179.833.4-36.4000114.9
300W36.6Very low39.2Very low231 Ų231152.3 Ų152.388%0.87580%0.796SS**  trans-133.765.7-174.6-67.4105.3000113.6Y298Y298-W300 PolarHBondContact O-N 2.57Å; Y298-W300 VanDerWaalsContact O-N 3.12Å
301R36Very low38.3Very low218 Ų218154.8 Ų154.882%0.82379%0.794SS**  trans-137.7138.2159.2-77.3-63-160.1177.55.6109.1S303R301-S303 PolarHBondContact O-N 3.17Å
302P35.2Very low37.6Very low119 Ų119150.7 Ų150.777%0.77379%0.791SS**  trans-71.1120.7165.3-10.126.3000109F304P302-F304 PolarHBondContact O-N 2.88Å
303S30.5Very low37.1Very low112 Ų112150.9 Ų150.978%0.78381%0.805SS**  trans-75.8113.3178.5-60.30000111R301R301-S303 PolarHBondContact O-N 3.17Å
304F36.4Very low36.5Very low190 Ų190154.1 Ų154.183%0.83380%0.802SS**  trans-85.9102.9158.551-87.7000108.2P302 L306P302-F304 PolarHBondContact O-N 2.88Å; F304-L306 PolarHBondContact O-N 3.15Å
305T31.8Very low35.7Very low136 Ų136153.4 Ų153.483%0.83481%0.805SS**  trans-75107.5174.241.90000109.8
306L37Very low34.9Very low135 Ų135154.6 Ų154.671%0.70781%0.806SS**  trans-85.5108.9167.9-148.979.8000108.6F304 F308F304-L306 PolarHBondContact O-N 3.15Å; L306-F308 HydrophobicContact CD2-CE2 3.84Å; L306-F308 HydrophobicContact CD2-CZ 4.35Å; L306-F308 PolarHBondContact O-N 2.83Å
307D31.1Very low34.3Very low122 Ų122151.8 Ų151.865%0.65281%0.807SS**  trans-74.9113.5177.7176.529.4000110.7K309D307-K309 WeakPolarHBondContact OD2-CE 3.41Å; D307-K309 WeakPolarHBondContact OD2-CG 3.23Å
308F36Very low33.9Very low173 Ų173149 Ų14976%0.75981%0.805SS**  trans-101.196.1168.2-89.9-74.2000109.5L306 T310L306-F308 HydrophobicContact CD2-CE2 3.84Å; L306-F308 HydrophobicContact CD2-CZ 4.35Å; L306-F308 PolarHBondContact O-N 2.83Å; F308-T310 PolarHBondContact O-N 2.96Å; F308-T310 VanDerWaalsContact O-N 3.08Å
309K33.5Very low33.5Very low173 Ų173144.7 Ų144.775%0.75281%0.805SS**  trans-64107172.3-70.1-176.7176.7177.80111.2D307D307-K309 WeakPolarHBondContact OD2-CE 3.41Å; D307-K309 WeakPolarHBondContact OD2-CG 3.23Å
310T30.9Very low32.8Very low136 Ų136144.7 Ų144.783%0.83481%0.808SS**PPolyproline II helixtrans-67.1135.4164-57.30000109.7F308F308-T310 PolarHBondContact O-N 2.96Å; F308-T310 VanDerWaalsContact O-N 3.08Å
311F32.6Very low32.4Very low207 Ų207136.9 Ų136.991%0.90880%0.799SS**PPolyproline II helixtrans-64.7135.1174.7-89.2-103.5000111.3
312G32.8Very low32.3Very low74 Ų74132.5 Ų132.576%0.76380%0.802SS**PPolyproline II helixtrans-94145.9166.300000111.5
313A33.8Very low31.9Very low99 Ų99132 Ų13282%0.81880%0.801SS**  trans-148.1134.5161.400000107.9
314D31.1Very low33.3Very low155 Ų155131.8 Ų131.883%0.82980%0.797SS**  trans-79.7157.4-166-51.1-97.3000114.4
315T32.9Very low32.9Very low146 Ų146128.2 Ų128.290%0.89679%0.79SS**  -155.8150.6123.8-71.80000109.6
316Q32.4Very low32.9Very low179 Ų179127.8 Ų127.884%0.83679%0.788SS**  trans-82.4162.6-162.2-56.2167.6-10.500115.4
317S29.2Very low32.6Very low130 Ų130125.8 Ų125.891%0.90979%0.785SS**  trans74.9135.8143.8-157.90000119.7
318G28.7Very low32.6Very low77 Ų77126 Ų12679%0.79480%0.796SS**  trans156.2114.9171.200000112.4
319S30Very low32.1Very low112 Ų112121.2 Ų121.278%0.78380%0.796SS**  trans-94.6147.4-179.4-162.90000112.4
320S31Very low31.9Very low114 Ų114116.8 Ų116.880%0.79780%0.8SS**  trans52.5120148.1-56.50000121.2
321G27.9Very low32Very low67 Ų67114.9 Ų114.969%0.69180%0.798SS**  117.3157.8120.600000119
322S32.5Very low32.4Very low126 Ų126111 Ų11188%0.88179%0.793SS**  trans57.8121.4164.744.80000120.1
323S28.5Very low32.5Very low108 Ų108112.6 Ų112.676%0.75579%0.793SS**  trans-87.4-170.2146.964.50000109.3
324P58.2Low33.3Very low109 Ų109113 Ų11371%0.70879%0.786SS**  cis-131.8-146-11.7243000111.1
325V29.9Very low33.3Very low114 Ų114111.9 Ų111.969%0.69178%0.78SS**  trans87.1107.5153.9177.50000118.4
326T30.8Very low33.2Very low128 Ų128111.2 Ų111.279%0.78577%0.771SS**  trans37.8161.9133.886.70000120.9
327S30.4Very low33.1Very low93 Ų93109.1 Ų109.165%0.6577%0.765SS**  cis-160.7164.317.556.70000111.3
328S30.7Very low33.2Very low125 Ų125110.6 Ų110.687%0.87476%0.762SS**  trans63.5158.2165.577.70000116.3
329G26.6Very low33.3Very low74 Ų74112.2 Ų112.276%0.76376%0.761SS**  cis169.5164.1-6.500000110.7
330G28.5Very low33.8Very low80 Ų80112.5 Ų112.583%0.82576%0.76SS**  trans98.597.4175.600000114.6
331A34.3Very low34.3Very low96 Ų96112.6 Ų112.679%0.79376%0.758SS**  trans-71.6159.6140.700000107.7
332P40Very low34.5Very low125 Ų125114.5 Ų114.581%0.81276%0.759SS**  -146.5155.272.542.8-26.4000116.3
333S34.3Very low34.3Very low108 Ų108118.5 Ų118.576%0.75576%0.761SS**  trans-67-176.7151.8-38.40000109.6
334P50.8Low34.6Very low106 Ų106118.4 Ų118.469%0.68876%0.761SS**  cis-145.8-150.816.933.4-5.8000114.2
335L31.7Very low33.4Very low133 Ų133118.6 Ų118.670%0.69676%0.762SS**  trans78110.4165.7-49.8-173.8000114.2
336N30.2Very low33.2Very low131 Ų131120.3 Ų120.370%0.70176%0.764SS**  112.6150.280.2-86-2.2000107.3
337L30Very low33.3Very low136 Ų136123.4 Ų123.471%0.71277%0.767SS**  cis-160.4171.8-5-119.8168.1000108
338L31.4Very low33.2Very low161 Ų161126.2 Ų126.284%0.84377%0.77SS**  trans70.4121.3159.5-64.4155.8000120.1
339S30.6Very low33.3Very low110 Ų110128.2 Ų128.277%0.76977%0.77SS**  trans-68.7179.5149.2-250000110.7
340P41.4Very low33.7Very low118 Ų118130.6 Ų130.677%0.76677%0.771SS**  cis-139.4-140.215.845.9-24.5000111
341P42.3Very low33.6Very low117 Ų117133 Ų13376%0.7677%0.77SS**  cis-123.7-173.7-30.538.3-21.9000113.2
342C31.1Very low33.5Very low106 Ų106133.8 Ų133.872%0.71677%0.77SS**  trans-75.1154.7170.7-47.70000113
343F28.6Very low33Very low210 Ų210132.8 Ų132.892%0.92177%0.766SS**  -179.2164.8115.5-97.4-63.9000112.6
344S34.2Very low32.9Very low107 Ų107135.7 Ų135.775%0.74877%0.772SS**  trans-87.6148.5-168.7-44.70000114.3
345P34.6Very low31.7Very low112 Ų112133.8 Ų133.873%0.72777%0.772SS**  trans-81.7146.4170.733.2-33.8000112.8
346M25.8Very low31.7Very low151 Ų151134.9 Ų134.974%0.74478%0.775SS**  trans-121.8128.3176.1173.4176.663.600108.3H348M346-H348 WeakPolarHBondContact CE-NE2 3.35Å
347F32Very low32.2Very low193 Ų193134.6 Ų134.685%0.84678%0.781SS**  trans-93132-174.4-74.8-82.7000112.8
348H28.8Very low32.1Very low151 Ų151132.4 Ų132.470%0.69978%0.776SS**  trans-124.9148.5169.4-73.4-96.6000109.9M346M346-H348 WeakPolarHBondContact CE-NE2 3.35Å
349L32.4Very low32.4Very low168 Ų168130.3 Ų130.388%0.8877%0.772SS**  trans-98.2148.8172.6-71.690.6000111.8
350P34.7Very low32.2Very low123 Ų123132.5 Ų132.580%0.79977%0.77SS**  trans-103171.3154.437.3-29.1000112.3
351T27.1Very low31.5Very low130 Ų130131.2 Ų131.280%0.79877%0.769SS**  trans-138.7154.7-168.5-59.30000112.4
352S31.6Very low30.9Very low114 Ų114134.6 Ų134.680%0.79777%0.768SS**  trans73.715117384.50000115.2
353S28.6Very low31Very low103 Ų103137.3 Ų137.372%0.7278%0.775SS**  cis-149.5-169.51.154.90000108.5
354L33Very low31.1Very low169 Ų169134 Ų13489%0.88576%0.761SS**  cis-162.1162.89.1-166.2122.2000109.9
355G26.5Very low30.8Very low66 Ų66135.4 Ų135.468%0.6876%0.761SS**  trans118.8138.9154.100000118.2
356M31Very low30.8Very low157 Ų157136.6 Ų136.677%0.77377%0.766SS**  trans-132.9153.1174.4-93.7-68.1-73.400108.2C358M356-C358 HydrophobicContact CE-CB 4.08Å
357P41Very low30.8Very low125 Ų125136 Ų13681%0.81277%0.766SS**  -142.5174.384.235.4-16.6000116.2
358C27.5Very low30.7Very low90 Ų90134.9 Ų134.961%0.60877%0.768SS**  trans-87.8177.7-177.9-151.40000112.5M356M356-C358 HydrophobicContact CE-CB 4.08Å
359P37.9Very low30.9Very low117 Ų117132.5 Ų132.576%0.7677%0.765SS**  -140.3144.995.738.2-26000116.8
360E25.3Very low30.8Very low155 Ų155132.8 Ų132.872%0.72477%0.767SS**  trans16.4118.3146.5-122.159.8-153.700120.8
361A28.3Very low30.6Very low91 Ų91132.5 Ų132.575%0.75277%0.767SS**  178126.899.200000113.7
362Y29.8Very low30.6Very low189 Ų189132.4 Ų132.474%0.74177%0.77SS**  trans6.8121.4155.7-70.4-100.3000120.4
363L32.1Very low30.3Very low163 Ų163136.1 Ų136.185%0.85377%0.772SS**  -162.6171.496.4-101172.2000112.4
364H30.2Very low30.4Very low139 Ų139139.3 Ų139.364%0.64478%0.779SS**  trans-87149.7-158.1-68-78.9000116.7
365N28.5Very low30.2Very low137 Ų137136 Ų13673%0.73377%0.769SS**  trans47.4142.3138.1-63.2-35.5000120
366V33.9Very low30.7Very low138 Ų138138.7 Ų138.784%0.83677%0.774SS**  cis-138.2145.831175.70000111.1
367N26Very low30.7Very low138 Ų138136.6 Ų136.674%0.73877%0.771SS**  trans-89142.6170.7-75.1-80.9000112
368L31.1Very low30.3Very low170 Ų170136.9 Ų136.989%0.8977%0.765SS**  179.9151.9111.2-91.2160.7000110.9
369P31.7Very low30.5Very low100 Ų100142.7 Ų142.765%0.64978%0.781SS**  trans-95.4158.9-164.937-36.6000115.3C371P369-C371 PolarHBondContact O-N 3.03Å
370L30.9Very low30.1Very low175 Ų175148.8 Ų148.892%0.91679%0.788SS**  trans-72.9112.7166.1-73.1164.2000111
371C29.8Very low30.2Very low117 Ų117149.8 Ų149.879%0.79179%0.793SS**  trans-106.599.6169.4-81.20000110.8P369P369-C371 PolarHBondContact O-N 3.03Å
372C27.5Very low30.2Very low128 Ų128154 Ų15487%0.86580%0.798SS**  trans-65.8132.1169.6-61.20000110.5
373K25.5Very low30.1Very low192 Ų192153.3 Ų153.384%0.83580%0.801SS**  trans-132.8110.5172.5-160.8171.1-173176.70110.7
374I30.7Very low30.1Very low169 Ų169151 Ų15187%0.86780%0.795SS**  trans-86.7129.3175-60.7168000108
375C28.9Very low30Very low101 Ų101152.3 Ų152.368%0.68281%0.806SS**  trans-133.8146167.5-80.50000110.2
376P36.6Very low30Very low121 Ų121152 Ų15279%0.78681%0.809SS**  trans-90.6165.8-174.336.2-36.6000114.8
377T30.7Very low30Very low114 Ų114153 Ų15370%0.69981%0.809SS**  trans-12131166.752.20000120.7
378N32.6Very low30.4Very low131 Ų131152.3 Ų152.370%0.70181%0.812SS**  trans59.499.8130.9-54.8-11.3000120
379F31.5Very low30.4Very low212 Ų212148.6 Ų148.693%0.9381%0.806SS**  trans-139129.9131.1-93.1-80.6000109.5
380W30.9Very low30.8Very low244 Ų244149.8 Ų149.892%0.92481%0.814SS**  trans-94.8113.9168.8-80.582.7000108.5
381Q26.7Very low30.7Very low176 Ų176150.9 Ų150.982%0.82281%0.814SS**  trans-129.3123.9169.7-175.2171.60.400108.1
382Q28.8Very low30.8Very low181 Ų181156.7 Ų156.785%0.84682%0.819SS**  trans-83.3142.5174.2-69.4-167.1-8.300110.7
383Q28.4Very low30.9Very low173 Ų173158.9 Ų158.981%0.80882%0.822SS**  trans-132.3145.5156.3-93.1-173-44.800108.9
384P31Very low31.1Very low114 Ų114153.8 Ų153.874%0.7482%0.815SS**PPolyproline II helixtrans-79.2144.2-176.232.3-34.7000111.7
385L29.2Very low31Very low167 Ų167151.2 Ų151.287%0.87481%0.812SS**PPolyproline II helixtrans-73.5131.2166-10375.5000110.2
386V28.4Very low31.1Very low130 Ų130152 Ų15279%0.78882%0.819SS**PPolyproline II helixtrans-94.6129.1167.4176.50000108.3
387L32.3Very low30.8Very low160 Ų160154.3 Ų154.384%0.83883%0.825SS**PPolyproline II helixtrans-86.7131.1172.4-71.7169.2000110.2
388P34.1Very low30.8Very low123 Ų123154.9 Ų154.980%0.79983%0.833SS**PPolyproline II helixtrans-77.614016832.1-32.6000110.7
389A33Very low30.6Very low92 Ų92153.5 Ų153.576%0.7683%0.834SS**PPolyproline II helixtrans-98.5147173.100000111.2
390P38.3Very low30.6Very low126 Ų126152.2 Ų152.282%0.81883%0.831SS**PPolyproline II helixtrans-91.2136.2165.133.9-29.8000111.3
391E30.1Very low30.5Very low197 Ų197145.3 Ų145.392%0.92182%0.82SS**PPolyproline II helixtrans-83.9163.8177-64.4-171122.200113.1
392R32Very low30.5Very low239 Ų239144.5 Ų144.590%0.90282%0.82SS**PPolyproline II helixtrans-89.1151.6177.5-60.6173.5175.7169.6-3.4111.9
393L30Very low30.6Very low175 Ų175140.1 Ų140.192%0.91682%0.815SS**  trans-139.1164.9146.1-83.2-176.5000112.3
394A28.3Very low31.1Very low84 Ų84137.6 Ų137.669%0.69481%0.814SS**  trans-26.4137.6-175.200000117.9
395S28.9Very low31.1Very low115 Ų115140.6 Ų140.680%0.80482%0.822SS**  cis81.3105.83784.60000116.1
396S32Very low31Very low119 Ų119141.6 Ų141.683%0.83283%0.825SS**  trans-148.2142.8162.156.90000109.8
397N29.3Very low31.1Very low169 Ų169144.1 Ų144.190%0.90483%0.83SS**  trans-103142-169.2-60.9-38.1000113.6
398S31Very low30.8Very low125 Ų125145.3 Ų145.387%0.87483%0.832SS**  trans-151162.8144.960.30000109.2
399S29.1Very low30.6Very low102 Ų102145.6 Ų145.671%0.71383%0.831SS**  trans-135.2174.2-160.758.10000113.8
400Q31.1Very low30.7Very low186 Ų186147.1 Ų147.187%0.86983%0.833SS**  trans80.9153.2175.2-50.9175.934.800116
401S27.7Very low30.3Very low99 Ų99149.7 Ų149.769%0.69284%0.836SS**  cis-167.7150.9-34.3-162.80000110.8
402L28.6Very low30.3Very low158 Ų158148.6 Ų148.683%0.82784%0.836SS**  trans59.9113.6157.7-74.4166.4000122.5
403A29.9Very low30Very low89 Ų89142.9 Ų142.974%0.73683%0.832SS**  82.8162.2118.100000120
404P39.6Very low29.9Very low121 Ų121140 Ų14079%0.78683%0.827SS**  trans-117.4173.1-141.242.7-34.5000116.1
405L29.4Very low30.1Very low176 Ų176144.6 Ų144.692%0.92184%0.839SS**  trans-123.7154.1167.1-80.4171.2000112
406M28.9Very low30.1Very low189 Ų189142.5 Ų142.593%0.93184%0.835SS**PPolyproline II helixtrans-93.2166.6-171.6-57.9-17585.900112.8
407M29.3Very low30.1Very low183 Ų183143 Ų14390%0.90183%0.833SS**PPolyproline II helixtrans-102.4119.2174.4-173174.5-174.100109.1
408E26.5Very low30.1Very low185 Ų185141.7 Ų141.786%0.86483%0.831SS**PPolyproline II helixtrans-82.1154.4176.4-76.5-164127.800112.8
409V29.9Very low30.1Very low128 Ų128143.1 Ų143.178%0.77683%0.829SS**  trans-130.7118.9174.9178.60000108.6M411V409-M411 PolarHBondContact O-N 2.97Å
410P35Very low30.1Very low124 Ų124144.4 Ų144.481%0.80584%0.838SS**PPolyproline II helixtrans-71124.2176-19.433000112.2
411M29.4Very low30.1Very low180 Ų180145.4 Ų145.489%0.88784%0.84SS**PPolyproline II helixtrans-81.9143.7164.3-92.9-76.4-172.300110.5V409V409-M411 PolarHBondContact O-N 2.97Å
412L29.8Very low30.1Very low174 Ų174146.9 Ų146.991%0.91185%0.85SS**PPolyproline II helixtrans-99126.2165.1-69.8175.6000109.6
413S26.5Very low30.1Very low119 Ų119143.1 Ų143.183%0.83285%0.849SS**  trans-108.5159.8-178.554.60000112.1
414S26.9Very low30Very low114 Ų114144.7 Ų144.780%0.79786%0.855SS**  trans-110139.5-17456.20000113.9
415L33Very low29.5Very low182 Ų182143.6 Ų143.695%0.95385%0.85SS**  trans-159.7155.1163.1-87.7119.8000107
416G28.7Very low29.6Very low70 Ų70144.1 Ų144.172%0.72285%0.848SS**  cis-178.2138.2-4.800000111.4
417V31.7Very low29.6Very low130 Ų130142.6 Ų142.679%0.78884%0.843SS**  trans-44.2141.1-176.6173.40000117.3
418T30.7Very low29.5Very low141 Ų141139 Ų13987%0.86584%0.836SS**  trans-147.5152.6137.441.60000112.3
419N29.6Very low29.5Very low156 Ų156134.1 Ų134.183%0.83484%0.835SS**  trans-106.2157.3178.6-69.1-53.4000112.3
420S30Very low29.7Very low129 Ų129135.3 Ų135.390%0.90284%0.837SS**  trans-164.4165.1132.957.60000111.8
421K30.9Very low29.5Very low207 Ų207136.6 Ų136.690%0.983%0.833SS**  trans-150.7114-169.4174.6-170.1172.1-176.70112.3
422S28.8Very low29.4Very low130 Ų130136.7 Ų136.791%0.90982%0.824SS**  trans-171163.8163.549.70000107.5
423G27Very low29.5Very low79 Ų79134.3 Ų134.381%0.81481%0.812SS**  cis-178.5148.9-5.400000108.2
424S28Very low29.5Very low121 Ų121137 Ų13785%0.84681%0.811SS**  trans-102.4138.9-165.553.70000115.4
425S28.6Very low29.5Very low98 Ų98135.7 Ų135.769%0.68581%0.807SS**  trans-178116.8144.452.80000107.7
426E32.4Very low30.3Very low188 Ų188132 Ų13288%0.87979%0.794SS**  64.7113.685.5-66.4175.3130.600113.8
427D28Very low30.3Very low157 Ų157135.6 Ų135.684%0.8480%0.797SS**  -158.1-169.398.9-156.4-9.4000109.6
428S28.7Very low30.4Very low108 Ų108133.7 Ų133.776%0.75579%0.789SS**  trans-131.7171.6-146.557.20000114.8
429G26.1Very low30.4Very low81 Ų81132.7 Ų132.784%0.83578%0.783SS**  trans-166.1107.5179.200000110.4
430D33.9Very low30.4Very low153 Ų153129.9 Ų129.982%0.81878%0.776SS**  trans-103.6-177.3-150.9-141.8-18.6000114.8
431Q30.9Very low30.5Very low152 Ų152131.5 Ų131.571%0.7177%0.769SS**  trans96.3136161.3-49.6-168.723.100117.6
432Y28.2Very low30.6Very low181 Ų181128.7 Ų128.771%0.7176%0.761SS**  cis-158.6143.18.3-138.4-146.1000113
433L30.6Very low30.7Very low124 Ų124128.6 Ų128.665%0.64975%0.75SS**  trans61.2150.9154-60.3179.8000119.6
434Q26.7Very low30.8Very low175 Ų175134.5 Ų134.582%0.81875%0.749SS**  cis-154.1164.4-24.7-139.6170-1.200108.9
435A28.1Very low30.8Very low87 Ų87131.5 Ų131.572%0.71974%0.737SS**  trans-97.3-166.2-179.200000111.5
436P48.8Very low30.9Very low104 Ų104133.3 Ų133.368%0.67574%0.738SS**  cis-138.6-156.8-9.432.6-7.6000113.9
437D28.5Very low30.6Very low147 Ų147133.1 Ų133.179%0.78674%0.737SS**  trans82139.4148.3-71.5-17.7000121.2
438S34.4Very low30.7Very low89 Ų89130 Ų13062%0.62273%0.733SS**  cis-163.5170.6-5.149.30000113.9
439T29.7Very low31.5Very low120 Ų120131.2 Ų131.274%0.73674%0.738SS**  trans66.9117.2155.542.40000118.9
440S29.8Very low31.5Very low98 Ų98130.3 Ų130.369%0.68573%0.729SS**  90.1138.370.8-73.80000112.7
441Q33.3Very low31.2Very low163 Ų163130.7 Ų130.776%0.76273%0.732SS**  cis-159.4156.54.7-109.41751300110.6
442M31.6Very low31.2Very low148 Ų148130.5 Ų130.573%0.72973%0.734SS**  40.7155.3125.8-43.8-95.5101.800120.5
443L31.5Very low31.1Very low128 Ų128129.3 Ų129.367%0.6774%0.739SS**  cis-168.4169.2-16.5-13061.6000106.7
444Y29.8Very low31.2Very low203 Ų203130 Ų13080%0.79674%0.742SS**  cis-133.2-129.6-8.2-154.3156.7000108.7
445G26.3Very low31.8Very low57 Ų57127.1 Ų127.159%0.58874%0.739SS**  cis141136.52.300000109.4
446L31.3Very low31.7Very low136 Ų136129.3 Ų129.371%0.71274%0.739SS**  cis-147.5148.815.5-86.1161.1000113.2
447Q26.5Very low30.5Very low184 Ų184129 Ų12986%0.8674%0.739SS**  trans65.8140.6148.8-70.4172-61.100122.4
448A29Very low30.4Very low92 Ų92128.9 Ų128.976%0.7674%0.736SS**  trans-114.9-158.3171.300000107.7
449P45.5Very low30.1Very low133 Ų133130.4 Ų130.486%0.86474%0.742SS**  cis-124.6-176.1-8.134.6-13.3000112.6
450G27.2Very low29.9Very low63 Ų63132.8 Ų132.865%0.64975%0.745SS**  cis169.8-159.1-1.100000110.5
451N27.8Very low29.8Very low161 Ų161135.9 Ų135.986%0.86175%0.749SS**  trans69.9133.4177.3-64.3-18.7000115.2
452I30Very low29.5Very low147 Ų147132.8 Ų132.875%0.75475%0.751SS**  cis-140.3144.17.5-93.9134.9000111.9
453L26.6Very low29.5Very low156 Ų156134 Ų13482%0.81776%0.76SS**  trans8.1128.4157.1-54.8171.1000121.9
454L32.7Very low29.1Very low139 Ų139133.3 Ų133.373%0.72877%0.766SS**  trans-86.9163.3131.6-143.782.1000108.2
455P38.5Very low28.9Very low115 Ų115129.3 Ų129.375%0.74777%0.766SS**  -150179.481.140-20.9000116.2
456N26.6Very low28.8Very low133 Ų133132.3 Ų132.371%0.71178%0.778SS**  trans-70.5179.7169.2-58.8-45.7000111
457S24.6Very low28.6Very low96 Ų96135.6 Ų135.667%0.67179%0.787SS**  174.81635558.40000116.5
458I25.8Very low28.8Very low145 Ų145135.6 Ų135.674%0.74479%0.787SS**  trans75.9122.8140-76.4161.4000120.9
459T28.4Very low29Very low121 Ų121136.4 Ų136.474%0.74278%0.784SS**  trans25.1142153.365.20000123
460Q24.6Very low28.2Very low170 Ų170134.7 Ų134.779%0.79478%0.775SS**  -169.1173.6100-166.7151.25.300112.2
461E27.4Very low28.5Very low163 Ų163142.9 Ų142.976%0.76279%0.788SS**  trans-67.1157.5178-49.8130.7113.100114.1
462A27.1Very low28.6Very low98 Ų98138.3 Ų138.381%0.8178%0.778SS**  trans-156.3132152.100000112.1
463L31.8Very low28.7Very low174 Ų174141.6 Ų141.691%0.91179%0.788SS**  trans-75.2146.4166.2-71.5155000110.2
464S24.4Very low29Very low114 Ų114144.1 Ų144.180%0.79779%0.788SS**  trans-15298.3162.542.10000112
465C23.7Very low28.7Very low119 Ų119147.9 Ų147.980%0.80479%0.792SS**  trans-76.3135.9164.3-63.20000109.2
466S25.9Very low28.3Very low120 Ų120151.7 Ų151.784%0.83979%0.793SS**  trans-126.4102.2170.949.50000110.9
467F27.5Very low28.5Very low204 Ų204151.7 Ų151.790%0.89579%0.793SS**  trans-73.2133165.5-76.5-93.5000109.5
468H29.1Very low28.8Very low185 Ų185156.8 Ų156.886%0.85680%0.804SS**  trans-145.2148.1160.5-144-114.6000110
469P32.7Very low28.8Very low108 Ų108156.7 Ų156.770%0.70181%0.81SS**  trans-99.3-174.2-150.239.3-37.1000115
470S29.8Very low29Very low97 Ų97159.3 Ų159.368%0.67882%0.816SS**  trans-79.3167.9-175.250.20000115.2
471Y32.9Very low29.4Very low236 Ų236156.8 Ų156.893%0.92582%0.815SS**  trans72.1122.3175-70.1-87000118.3
472G30.5Very low29.5Very low64 Ų64154.7 Ų154.766%0.6682%0.818SS**  trans162.875.4163.900000118.7
473F31.7Very low29.7Very low217 Ų217160.8 Ų160.895%0.95282%0.82SS**  trans65.2144.2154.5-65-84000121.9
474Y33.8Very low29.8Very low209 Ų209160.3 Ų160.382%0.8282%0.817SS**  trans-64.8139.9169-88.6-107.5000112Y476Y474-Y476 HydrophobicContact CD1-CE2 4.35Å
475R25.9Very low30.1Very low217 Ų217162.8 Ų162.882%0.81982%0.82SS**  trans-142.5110.1157.7-162.2170.5-171160.24.1111.1
476Y30.5Very low30.3Very low195 Ų195165.4 Ų165.477%0.76583%0.826SS**  trans-67.5129.1166.7-78.1-94.1000109.2Y474Y474-Y476 HydrophobicContact CD1-CE2 4.35Å
477N29.9Very low30.5Very low134 Ų134163 Ų16372%0.71782%0.82SS**  trans-124.5116.7166.2-78.7-28.8000108.3
478F30.8Very low31Very low202 Ų202159.2 Ų159.289%0.88682%0.816SS**  trans-75.4127.2168.1-85.6-98.3000109.4
479T26.2Very low30.9Very low144 Ų144157.8 Ų157.888%0.88382%0.815SS**  trans-77127.8167.48.10000110
480M32.3Very low30.9Very low176 Ų176161.7 Ų161.787%0.86782%0.823SS**  trans-125.8134.9169.7-162.962163.600108.9
481P34.5Very low30.8Very low117 Ų117164.4 Ų164.476%0.7683%0.829SS**  trans-73.6147.8-166.5-19.333.5000114.6
482S28.9Very low30.5Very low118 Ų118162.1 Ų162.183%0.82582%0.824SS**  trans-71.4144.3173.8460000112.7
483R31.9Very low30.4Very low226 Ų226164.6 Ų164.685%0.85383%0.826SS**  trans-139.1121.7163.9-76.6-167174.3-157.8-1.2111.4
484L33.8Very low30.1Very low164 Ų164160.4 Ų160.486%0.85981%0.813SS**  trans49.7101.7144-56.8172000118.3
485I28.9Very low30Very low167 Ų167157.1 Ų157.186%0.85681%0.81SS**  trans-126.9111.9147.4-64.5180000107.8
486N29.4Very low30.2Very low174 Ų174154 Ų15493%0.9381%0.81SS**  trans-171.7137.9155.8-113.1-12.9000109.2
487G29.1Very low30.3Very low69 Ų69150.7 Ų150.771%0.71182%0.815SS**  trans128.894.1176.900000114
488P37.4Very low30.3Very low124 Ų124152.7 Ų152.781%0.80582%0.82SS**  trans-84.7134.9174.632.9-32.6000112.8
489N28.8Very low30.3Very low156 Ų156149.2 Ų149.283%0.83482%0.815SS**  trans16120149.7-54.6-18.1000119.7
490H31.1Very low30.4Very low190 Ų190147.5 Ų147.588%0.8881%0.809SS**  -144.6141.6126.9-146-77.8000111.9
491L27.7Very low30.2Very low153 Ų153148.8 Ų148.880%0.80181%0.81SS**  trans-112.4145-177.5-86.9158.9000111.6
492K26.8Very low30Very low188 Ų188154.4 Ų154.482%0.81782%0.816SS**  trans-163130.1141-94.5-163.2174.6-179.40106.8
493V27.9Very low30.1Very low117 Ų117156.5 Ų156.571%0.70981%0.813SS**  66.8119.366169.50000109.8
494N26.6Very low29.9Very low128 Ų128149.3 Ų149.368%0.68481%0.81SS**  cis-144.7-174.24.4-120.434.6000108.8
495D30.6Very low29.8Very low141 Ų141150.5 Ų150.575%0.75481%0.808SS**  cis-159.317930.8-125.2-27.5000112.7
496D30.1Very low29.8Very low151 Ų151148.7 Ų148.781%0.80781%0.808SS**  trans-72.2150.2-169.4-80.3-48000118.4
497S33.1Very low29.9Very low125 Ų125148 Ų14887%0.87481%0.805SS**  trans-151.9159.1135.855.20000111.2
498Q30.8Very low30.1Very low176 Ų176153 Ų15382%0.82281%0.809SS**  trans-116.4160.8-147.9-119.4-177.32400115.4
499V30.3Very low29.8Very low129 Ų129153.5 Ų153.578%0.78281%0.81SS**  trans72.9137.4152.7168.80000115.6
500S28.3Very low30Very low109 Ų109153.4 Ų153.476%0.76280%0.804SS**  cis-150.3171.1946.30000114.1
501F29Very low29.9Very low203 Ų203155.6 Ų155.689%0.8981%0.805SS**  trans-68.8146.8169-79.2-118.7000113.7
502R28.8Very low30.1Very low235 Ų235157.8 Ų157.889%0.88780%0.804SS**  -166.2172.6105.5-120.4-178.5178.4-95.1-2.2115.4
503E31.2Very low30.8Very low161 Ų161154.6 Ų154.675%0.75280%0.802SS**  trans-110.4146.4-163.3176.1-171.1-170.100111.5
504G28.4Very low31.1Very low76 Ų76153.4 Ų153.478%0.78481%0.805SS**  trans-156110.2-178.700000114.2
505K32.1Very low31.8Very low188 Ų188154.7 Ų154.782%0.81781%0.81SS**  trans-67.2147.4-171.9-65.3171.7176.4175.90114.9
506C29.1Very low32.1Very low129 Ų129155.6 Ų155.687%0.87282%0.815SS**  trans-84.2154.8157.7-65.40000111.5
507N30.9Very low32.6Very low159 Ų159156 Ų15685%0.8581%0.811SS**  trans-123.1154.3170.3-81.3-34.4000110.8
508H33.5Very low32.8Very low175 Ų175160.4 Ų160.481%0.8181%0.81SS**  trans-73161.5177.6-75-102.2000113.6
509V31.3Very low33.2Very low135 Ų135163.3 Ų163.382%0.81883%0.83SS**  -166.9149.5116.1141.70000110.6
510H33.2Very low33.3Very low153 Ų153165.1 Ų165.171%0.70883%0.833SS**  trans-77.7155.7176.5-75.2-99.3000113.2
511W27.4Very low33.6Very low237 Ų237168 Ų16890%0.89884%0.837SS**  trans-138.6149.5150.6-110.969.7000110.7
512Y32.7Very low33.8Very low199 Ų199166.1 Ų166.178%0.7883%0.834SS**  trans-113163.9174.3-107.5-109.7000109.6
513P41.5Very low34.1Very low121 Ų121162 Ų16279%0.78683%0.831SS**  trans-86.5159.1-169.435.3-35000113.6
514A34.7Very low34.3Very low92 Ų92162.1 Ų162.176%0.7684%0.835SS**  trans-118.7129.8170.800000111
515I40.7Very low34.7Very low154 Ų154167.8 Ų167.879%0.7984%0.839SS**  trans-88.9148.1167.3-66.3158.8000107.9
516N37.5Very low34.9Very low160 Ų160166.4 Ų166.486%0.85684%0.84SS**  trans-150151.2154.7-98.6-39.2000112.2
517H40.8Very low35.3Very low160 Ų160169.2 Ų169.274%0.74184%0.838SS**  trans-133.9167.7175.7-110.7-84.2000108.2
518Y36.9Very low35.7Very low217 Ų217170.1 Ų170.185%0.85184%0.837SS**  trans70.5147.6-173.8-53.2-83000113.8
519L38.1Very low35.9Very low238 Ų238169.6 Ų169.6100%1.24684%0.839SS**  cis-98.802-79.2157.2000113

Retrieved 519 of 519 residues in 396.2 ms (Link to these results)