A0A087Y8E2_POEFO Loading...

SH3 and cysteine rich domain 3

AlphaFold DB , UniProt , Accession A0A087Y8E2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 333 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
1M36.1Very low44.4Very low226 Ų226141.5 Ų141.5100%1.11374%0.739SS**  0106.60-74.7177.1172.700106.6
2D40.6Very low44.4Very low129 Ų129139.9 Ų139.969%0.6973%0.73SS**  cis-162.8141.1-11.7-81.4-43.1000102.5
3Q44.8Very low45.3Very low151 Ų151143.2 Ų143.271%0.70674%0.739SS**  35.9134.1117.7-71.2-178.4-42.900114.6
4E44.9Very low45.5Very low131 Ų131141.9 Ų141.961%0.61273%0.734SS**  cis175.7151.320.7-112.2162.1-172.300104.8
5D44.4Very low45.9Very low130 Ų130141.9 Ų141.970%0.69574%0.735SS**  trans62.3147.3135.9-52.6-21.6000119
6D47.8Very low46.4Very low106 Ų106139.2 Ų139.257%0.56773%0.729SS**  cis-175.2145.132.8-135.5-12.2000109.3
7K47Very low47Very low158 Ų158138.3 Ų138.369%0.68773%0.734SS**  trans59123.4137.2-74.8162.4-163.1139.20122.2
8N40.5Very low47.3Very low155 Ų155133.4 Ų133.483%0.82972%0.716SS**  trans64.8106.7136.6-79.4-0.7000117.5
9S47.8Very low47.8Very low104 Ų104131 Ų13173%0.72771%0.708SS**  165.698.290.51760000110.2
10V46.6Very low48.2Very low107 Ų107133.4 Ų133.465%0.64872%0.721SS**  trans56.794.9137.2-162.10000116.9I12V10-I12 HydrophobicContact CG1-CB 4.31Å; V10-I12 HydrophobicContact CG1-CD1 3.36Å; V10-I12 HydrophobicContact CG1-CG1 3.51Å; V10-I12 PolarHBondContact O-N 2.8Å; V10-I12 VanDerWaalsContact O-N 3.16Å
11D48Very low48.5Very low160 Ų160131 Ų13186%0.85671%0.708SS**  trans-53.2107.8143.3-88.4-54.7000108.9
12I43.8Very low49.4Very low122 Ų122121.8 Ų121.863%0.62666%0.664SS**  trans-126.578154.5-78.2160.8000105.8V10 D14V10-I12 HydrophobicContact CG1-CB 4.31Å; V10-I12 HydrophobicContact CG1-CD1 3.36Å; V10-I12 HydrophobicContact CG1-CG1 3.51Å; V10-I12 PolarHBondContact O-N 2.8Å; V10-I12 VanDerWaalsContact O-N 3.16Å; I12-D14 HydrophobicContact CG2-CB 3.94Å; I12-D14 PolarHBondContact O-N 2.98Å
13H55.9Low50.2Low183 Ų183120.4 Ų120.485%0.84766%0.66SS**  trans-76.169.6142-98.9-65.5000107.3
14D48.6Very low50.6Low125 Ų125122.1 Ų122.167%0.66866%0.66SS**  trans-127.991.5163.8-74.8-60.9000108.2I12I12-D14 HydrophobicContact CG2-CB 3.94Å; I12-D14 PolarHBondContact O-N 2.98Å
15N51.9Low50.7Low141 Ų141123.9 Ų123.975%0.75467%0.668SS**PPolyproline II helixtrans-50.8127.2158.3-169.338.9000107.2
16P54.3Low50.9Low99 Ų99125.8 Ų125.864%0.64368%0.678SS**PPolyproline II helixtrans-55.6141.8-174.920.5-32.3000110.7A18P16-A18 PolarHBondContact O-N 2.68Å
17P56.3Low51.3Low124 Ų124123.8 Ų123.881%0.80568%0.683SS**PPolyproline II helixtrans-58.3132.5179.923.6-31.8000109.2
18A53Low51.8Low51 Ų51124.7 Ų124.742%0.42170%0.696SS.*PPolyproline II helixtrans-61.4142172.700000108.9P16P16-A18 PolarHBondContact O-N 2.68Å
19P55.7Low52.3Low87 Ų87121.3 Ų121.357%0.56568%0.681SS**PPolyproline II helixtrans-61.9150.2177.128.2-35.2000110.9N21 V22P19-N21 VanDerWaalsContact CB-OD1 3.3Å; P19-N21 WeakPolarHBondContact CB-OD1 3.14Å; P19-N21 WeakPolarHBondContact CG-OD1 3.45Å; P19-N21 PolarHBondContact O-N 3.12Å; P19-N21 PolarHBondContact O-OD1 3.37Å; P19-V22 HydrophobicContact CG-CG2 4.43Å; P19-V22 PolarHBondContact O-N 3.42Å
20D56.9Low52.7Low178 Ų178119.8 Ų119.895%0.95267%0.667SS**THydrogen-bonded Turntrans-57.6-9-167.4-72.5-34.2000115.8
21N54.2Low52.8Low85 Ų85122.9 Ų122.946%0.45567%0.668SS.*THydrogen-bonded Turntrans-9620.2-176.650-14.3000114P19P19-N21 VanDerWaalsContact CB-OD1 3.3Å; P19-N21 WeakPolarHBondContact CB-OD1 3.14Å; P19-N21 WeakPolarHBondContact CG-OD1 3.45Å; P19-N21 PolarHBondContact O-N 3.12Å; P19-N21 PolarHBondContact O-OD1 3.37Å
22V54.6Low53Low32 Ų32121.7 Ų121.719%0.19466%0.656CS.*EExtended strand (participates in β ladder)trans-119.1111179.2-176.30000111P19 R24 V30P19-V22 HydrophobicContact CG-CG2 4.43Å; P19-V22 PolarHBondContact O-N 3.42Å; V22-R24 HydrophobicContact CG1-CG 4.07Å; V22-V30 HydrophobicContact CG1-CG1 4.02Å
23V56.8Low53.5Low100 Ų100121.2 Ų121.261%0.60665%0.653SS**EExtended strand (participates in β ladder)trans-90.9120.2168.2-176.20000108.3
24R52.8Low53.3Low186 Ų186122.1 Ų122.170%0.70265%0.65SS**  trans-104.5110.2174.3-68.1-172.7172.6-163.9-3.1109.5V22V22-R24 HydrophobicContact CG1-CG 4.07Å
25E48.3Very low53.6Low169 Ų169124.7 Ų124.779%0.7966%0.658SS**  trans-114.6116.6160-76.6-172.9157.600107.8
26D49.2Very low53.7Low169 Ų169126.3 Ų126.390%0.90466%0.661SS**SBendtrans24102.3165.2-56.5-30.9000118.6
27G55.5Low53.6Low65 Ų65130.4 Ų130.467%0.6767%0.672SS**SBendtrans94.387.1156.900000115.6T29G27-T29 VanDerWaalsContact C-N 3.31Å; G27-T29 PolarHBondContact O-N 2.97Å
28D57.8Low53.5Low177 Ų177129.6 Ų129.695%0.94766%0.664SS**SBendtrans62.312.5151.2-131.622.4000119.4
29T51.3Low53.7Low84 Ų84136.1 Ų136.152%0.51569%0.686SS.*  trans-123.3123.3171.3-51.10000111.1G27 Y31G27-T29 VanDerWaalsContact C-N 3.31Å; G27-T29 PolarHBondContact O-N 2.97Å; T29-Y31 HydrophobicContact CG2-CE1 4.36Å; T29-Y31 HydrophobicContact CG2-CE2 3.98Å
30V54.9Low53.8Low72 Ų72137.5 Ų137.544%0.43669%0.693SS.*  trans-105.8121.1178.2-179.40000109V22 F32V22-V30 HydrophobicContact CG1-CG1 4.02Å; V30-F32 HydrophobicContact CG1-CD2 4.47Å; V30-F32 HydrophobicContact CG1-CE1 4.26Å; V30-F32 HydrophobicContact CG1-CE2 3.96Å; V30-F32 HydrophobicContact CG1-CZ 3.84Å
31Y48.9Very low54.1Low171 Ų171137.6 Ų137.667%0.67169%0.688SS**EExtended strand (participates in β ladder)trans-97.6127171.2-61.7-82.1000109.7T29T29-Y31 HydrophobicContact CG2-CE1 4.36Å; T29-Y31 HydrophobicContact CG2-CE2 3.98Å
32F53Low54.5Low136 Ų136142.1 Ų142.160%0.59671%0.706SS**EExtended strand (participates in β ladder)trans-96.2120.1170.7-61.6-85000108.4V30 Y34V30-F32 HydrophobicContact CG1-CD2 4.47Å; V30-F32 HydrophobicContact CG1-CE1 4.26Å; V30-F32 HydrophobicContact CG1-CE2 3.96Å; V30-F32 HydrophobicContact CG1-CZ 3.84Å; F32-Y34 HydrophobicContact CB-CE2 4.16Å; F32-Y34 PolarHBondContact O-N 2.83Å
33I53Low55Low111 Ų111148.7 Ų148.757%0.56973%0.732SS**  trans-78.9107170.8-56.8174.4000106.5E35I33-E35 PolarHBondContact O-N 2.92Å
34Y51.9Low55.6Low203 Ų203152.1 Ų152.180%0.79674%0.741SS**  trans-77.7103.6167-70.8-89.1000107.3F32 E36F32-Y34 HydrophobicContact CB-CE2 4.16Å; F32-Y34 PolarHBondContact O-N 2.83Å; Y34-E36 VanDerWaalsContact C-N 3.33Å; Y34-E36 PolarHBondContact O-N 2.84Å
35E55.9Low56.3Low178 Ų178149 Ų14983%0.83275%0.745SS**  trans-66.799.7161.3-72.6-179.2169.300106.7I33 E37I33-E35 PolarHBondContact O-N 2.92Å; E35-E37 PolarHBondContact O-N 3.08Å
36E53.1Low57.4Low175 Ų175148.1 Ų148.182%0.81874%0.741SS**  trans-66.1101.8171.3-164.9169.4-16000106.6Y34 V38Y34-E36 VanDerWaalsContact C-N 3.33Å; Y34-E36 PolarHBondContact O-N 2.84Å; E36-V38 PolarHBondContact O-N 2.89Å
37E51.8Low58.5Low185 Ų185145.4 Ų145.486%0.86473%0.733SS**  trans-61.389.6167.2-72.2-176.7175.500107.3E35 E39E35-E37 PolarHBondContact O-N 3.08Å; E37-E39 VanDerWaalsContact C-N 3.32Å; E37-E39 PolarHBondContact O-N 3.49Å
38V55.9Low59.5Low107 Ų107147.7 Ų147.765%0.64874%0.736SS**  trans-67.398.9167.9-175.50000105.6E36 V40E36-V38 PolarHBondContact O-N 2.89Å; V38-V40 HydrophobicContact CG1-CG2 4.39Å; V38-V40 PolarHBondContact O-N 2.99Å
39E56.7Low60Low188 Ų188145.1 Ų145.188%0.87973%0.729SS**  trans-56.194.7160.3-82.9-175153.600106.6E37 E41E37-E39 VanDerWaalsContact C-N 3.32Å; E37-E39 PolarHBondContact O-N 3.49Å; E39-E41 PolarHBondContact O-N 3.36Å
40V57.8Low60.7Low116 Ų116149.5 Ų149.570%0.70374%0.743SS**  trans-68.294.8165.8-176.60000104.4V38 E42V38-V40 HydrophobicContact CG1-CG2 4.39Å; V38-V40 PolarHBondContact O-N 2.99Å; V40-E42 VanDerWaalsContact C-N 3.26Å; V40-E42 PolarHBondContact O-N 3.45Å
41E62.4Low60.9Low181 Ų181151.1 Ų151.185%0.84676%0.755SS**  trans-55.997.5168.8-163176.2-162.800106.3E39 K43E39-E41 PolarHBondContact O-N 3.36Å; E41-K43 PolarHBondContact O-N 2.82Å
42E62.4Low61.3Low179 Ų179149 Ų14984%0.83676%0.76SS**  trans-6193.6174.2-76.9-168.7156.500106.5V40 E44V40-E42 VanDerWaalsContact C-N 3.26Å; V40-E42 PolarHBondContact O-N 3.45Å; E42-E44 PolarHBondContact O-N 2.62Å
43K65.2Low61.2Low170 Ų170148.3 Ų148.374%0.73976%0.761SS**  trans-57.6109.4176.8-167-179.8-177.9-169.90106.9E41 E46E41-K43 PolarHBondContact O-N 2.82Å; K43-E46 IonicContact NZ-OE1 3.74Å
44E69.7Low61.4Low172 Ų172150.9 Ų150.980%0.80476%0.764SS**  trans-45.8134.2177.2-84.1-171.9140.600109.1E42 E46E42-E44 PolarHBondContact O-N 2.62Å; E44-E46 PolarHBondContact O-N 2.93Å; E44-E46 VanDerWaalsContact O-N 3.07Å
45P68Low61.6Low121 Ų121147.8 Ų147.879%0.78676%0.759SS**PPolyproline II helixtrans-56.3122.6176.723.4-32000108.2
46E70.2Confident61.8Low150 Ų150140.6 Ų140.670%0.70173%0.727SS**PPolyproline II helixtrans-49.3132-179.9-70.4-175.917900109.1K43 E44K43-E46 IonicContact NZ-OE1 3.74Å; E44-E46 PolarHBondContact O-N 2.93Å; E44-E46 VanDerWaalsContact O-N 3.07Å
47P72.4Confident62.7Low112 Ų112138.6 Ų138.673%0.72772%0.722SS**PPolyproline II helixtrans-54.3137.7-179.622.1-32.2000108.4
48P76.1Confident64.1Low113 Ų113135.5 Ų135.573%0.73471%0.705SS**PPolyproline II helixtrans-50.8134.5-178.317.8-29.5000108.9E50P48-E50 PolarHBondContact O-N 3.22Å; P48-E50 VanDerWaalsContact O-N 3.12Å
49P69.4Low65.5Low123 Ų123133.6 Ų133.680%0.79970%0.695SS**PPolyproline II helixtrans-51.1126.7-174.719.7-32000108.5
50E64.8Low67Low176 Ų176126.1 Ų126.182%0.82266%0.66SS**PPolyproline II helixtrans-48133.6-179.6-71.3-173.3172.200108.7P48 V52P48-E50 PolarHBondContact O-N 3.22Å; P48-E50 VanDerWaalsContact O-N 3.12Å; E50-V52 PolarHBondContact O-N 3.12Å
51P59.5Low68.4Low106 Ų106126.9 Ų126.969%0.68865%0.654SS**  trans-56.8115.4-17823.6-32.7000107.3I53P51-I53 VanDerWaalsContact C-N 3.3Å; P51-I53 WeakPolarHBondContact O-CG1 3.04Å; P51-I53 PolarHBondContact O-N 3.47Å
52V57.3Low69.8Low127 Ų127120.1 Ų120.177%0.7762%0.622SS**  trans-54.799.8-179.9-177.80000107.3E50 R54E50-V52 PolarHBondContact O-N 3.12Å; V52-R54 PolarHBondContact O-N 3.23Å
53I52.5Low71.1Confident121 Ų121117.8 Ų117.862%0.62161%0.609SS**  trans-6995.2171.7-57.7177.1000102.6P51 I55P51-I53 VanDerWaalsContact C-N 3.3Å; P51-I53 WeakPolarHBondContact O-CG1 3.04Å; P51-I53 PolarHBondContact O-N 3.47Å; I53-I55 PolarHBondContact O-N 2.88Å
54R56.5Low72.4Confident166 Ų166114.5 Ų114.563%0.62660%0.6SS**  trans-57100.2170.2-69.6-162.2-177.9-176.35.2105.9V52 N56 D325V52-R54 PolarHBondContact O-N 3.23Å; R54-N56 PolarHBondContact O-N 3.5Å; R54-N56 VanDerWaalsContact O-N 3.09Å; R54-D325 IonicContact CZ-OD1 3.6Å; R54-D325 IonicContact CZ-OD2 2.68Å; R54-D325 IonicContact NH1-OD2 3.95Å; R54-D325 PolarHBondContact NH1-OD2 3.42Å; R54-D325 IonicContact NH2-OD1 3.12Å; R54-D325 PolarHBondContact NH2-OD1 2.81Å; R54-D325 VanDerWaalsContact NH2-OD1 3.09Å; R54-D325 IonicContact NH2-OD2 3.04Å; R54-D325 PolarHBondContact NH2-OD2 3.2Å
55I54.9Low73.2Confident137 Ų137109.1 Ų109.170%0.70357%0.574SS**  trans-56.3121.6177.4-65.3170.2000104.8I53 D57I53-I55 PolarHBondContact O-N 2.88Å; I55-D57 VanDerWaalsContact C-N 3.31Å; I55-D57 PolarHBondContact O-N 3.13Å
56N61.8Low74.1Confident27 Ų27108.7 Ų108.714%0.14456%0.558CS.*  trans-72.492.6-177.1-1780.7000108.1R54 K58 P59 E106 Q108 R109R54-N56 PolarHBondContact O-N 3.5Å; R54-N56 VanDerWaalsContact O-N 3.09Å; N56-K58 PolarHBondContact O-N 3.44Å; N56-K58 VanDerWaalsContact OD1-C 3.23Å; N56-K58 PolarHBondContact OD1-N 2.63Å; N56-K58 PolarHBondContact OD1-O 2.9Å; N56-P59 WeakPolarHBondContact ND2-CA 3.47Å; N56-P59 WeakPolarHBondContact O-CD 3.08Å; N56-E106 PolarHBondContact ND2-O 2.86Å; N56-Q108 PolarHBondContact ND2-N 2.95Å; N56-Q108 PolarHBondContact ND2-O 3.29Å; N56-R109 VanDerWaalsContact OD1-CA 3.25Å; N56-R109 WeakPolarHBondContact OD1-CA 3.23Å
57D71.7Confident74.6Confident133 Ų133101.7 Ų101.771%0.71153%0.526SS*.SBendtrans-58.1-18.3-176.5-59.3-40000113.4I55I55-D57 VanDerWaalsContact C-N 3.31Å; I55-D57 PolarHBondContact O-N 3.13Å
58K81.2Confident74.9Confident120 Ų120105 Ų10552%0.52253%0.528SS..SBendtrans-137.880177.2-63.4-174.5-179.2-176.50110.5N56 R109 C110N56-K58 PolarHBondContact O-N 3.44Å; N56-K58 VanDerWaalsContact OD1-C 3.23Å; N56-K58 PolarHBondContact OD1-N 2.63Å; N56-K58 PolarHBondContact OD1-O 2.9Å; K58-R109 HydrophobicContact CB-CG 4.1Å; K58-C110 WeakPolarHBondContact O-CB 3.46Å; K58-C110 PolarHBondContact O-N 3.47Å
59P84.9Confident75.1Confident68 Ų68107.1 Ų107.144%0.44253%0.526SS..  trans-72153.9-178.530.4-33.2000112.2N56 K61N56-P59 WeakPolarHBondContact ND2-CA 3.47Å; N56-P59 WeakPolarHBondContact O-CD 3.08Å; P59-K61 PolarHBondContact O-N 2.83Å
60H87.2Confident75.7Confident30 Ų30106 Ų10614%0.13952%0.519CS..  trans-69128.5172.2-74-93.2000110.7F62 C90 C93 Q108 C110H60-F62 HydrophobicContact CB-CD2 3.76Å; H60-F62 HydrophobicContact CB-CE1 4.48Å; H60-F62 HydrophobicContact CB-CE2 3.19Å; H60-F62 HydrophobicContact CB-CZ 3.58Å; H60-F62 AromaticContact CG-CE2 3.84Å; H60-F62 AromaticContact CG-CZ 3.8Å; H60-F62 AromaticContact ND1-CZ 3.92Å; H60-F62 PolarHBondContact O-N 2.79Å; H60-C90 PolarHBondContact ND1-SG 3.02Å; H60-C90 VanDerWaalsContact ND1-SG 3.45Å; H60-C93 PolarHBondContact CE1-SG 2.79Å; H60-C93 PolarHBondContact ND1-SG 3.02Å; H60-Q108 PolarHBondContact CD2-O 3.47Å; H60-Q108 VanDerWaalsContact CD2-O 3.24Å; H60-C110 HydrophobicContact CB-CB 4.49Å
61K88.9Confident76.5Confident132 Ų132101.7 Ų101.757%0.57450%0.498SS*.  trans-94.285.7172.7-64.1-175.7-179.7-176.20110.4P59 C90 K91P59-K61 PolarHBondContact O-N 2.83Å; K61-C90 CarbonylContact O-C 3.49Å; K61-C90 WeakPolarHBondContact O-CA 3.24Å; K61-K91 HydrophobicContact CB-CB 4.44Å; K61-K91 PolarHBondContact O-N 2.98Å
62F91.3Very high77.7Confident39 Ų39102.8 Ų102.817%0.17149%0.492CS..EExtended strand (participates in β ladder)trans-76.9145.4178.9-69-72.6000112.3H60 L88 C90 I97 Q102 V105H60-F62 HydrophobicContact CB-CD2 3.76Å; H60-F62 HydrophobicContact CB-CE1 4.48Å; H60-F62 HydrophobicContact CB-CE2 3.19Å; H60-F62 HydrophobicContact CB-CZ 3.58Å; H60-F62 AromaticContact CG-CE2 3.84Å; H60-F62 AromaticContact CG-CZ 3.8Å; H60-F62 AromaticContact ND1-CZ 3.92Å; H60-F62 PolarHBondContact O-N 2.79Å; F62-L88 HydrophobicContact CB-CB 4.28Å; F62-L88 HydrophobicContact CB-CD2 4.3Å; F62-L88 HydrophobicContact CD1-CB 4.03Å; F62-L88 HydrophobicContact CG-CB 4.37Å; F62-C90 HydrophobicContact CD1-CB 3.93Å; F62-C90 HydrophobicContact CE1-CB 3.67Å; F62-C90 HydrophobicContact CZ-CB 4.28Å; F62-I97 HydrophobicContact CD1-CD1 4.07Å; F62-I97 HydrophobicContact CD1-CG1 4.27Å; F62-I97 HydrophobicContact CD2-CD1 4.36Å; F62-I97 HydrophobicContact CE1-CD1 3.59Å; F62-I97 HydrophobicContact CE1-CG1 3.93Å; F62-I97 HydrophobicContact CE2-CD1 3.9Å; F62-I97 HydrophobicContact CG-CD1 4.45Å; F62-I97 HydrophobicContact CZ-CD1 3.52Å; F62-I97 HydrophobicContact CZ-CG1 4.34Å; F62-Q102 HydrophobicContact CD2-CG 4.36Å; F62-V105 HydrophobicContact CE2-CG2 3.55Å; F62-V105 HydrophobicContact CZ-CG2 3.64Å
63K90.6Very high79.1Confident131 Ų13196.9 Ų96.957%0.5746%0.456SS*.EExtended strand (participates in β ladder)trans-143.3148.5169.5-172.8173.2-179.9177.90108.9H65 R89K63-H65 PolarHBondContact O-N 3.04Å; K63-R89 PolarHBondContact N-O 3.27Å; K63-R89 PolarHBondContact O-N 2.87Å
64D90.8Very high80.6Confident101 Ų10194.4 Ų94.454%0.5444%0.444SS..EExtended strand (participates in β ladder)trans-56131.9172.4-62.4-8.8000110.5L88 H99D64-L88 VanDerWaalsContact OD1-CD2 3.26Å; D64-L88 WeakPolarHBondContact OD1-CD2 3.42Å; D64-H99 IonicContact OD1-CE1 3.16Å; D64-H99 PolarHBondContact OD1-CE1 2.91Å; D64-H99 IonicContact OD1-NE2 3.71Å
65H86.9Confident81.8Confident59 Ų5987 Ų8727%0.27342%0.417SS..EExtended strand (participates in β ladder)trans-139.9135-177.4176.9-85.1000109.6K63 C67 C87 R89K63-H65 PolarHBondContact O-N 3.04Å; H65-C67 PolarHBondContact O-N 3.2Å; H65-C87 PolarHBondContact N-O 3.43Å; H65-C87 PolarHBondContact O-N 3.23Å; H65-C87 VanDerWaalsContact O-O 3.14Å; H65-C87 PolarHBondContact O-SG 3.13Å; H65-R89 HydrophobicContact CB-CB 3.6Å; H65-R89 PolarHBondContact CE1-NH1 3.4Å; H65-R89 VanDerWaalsContact CE1-NH1 3.33Å; H65-R89 PolarHBondContact CE1-NH2 3.45Å; H65-R89 VanDerWaalsContact NE2-CZ 3.35Å; H65-R89 PolarHBondContact NE2-NH1 2.89Å
66Y86.5Confident83Confident111 Ų11181.6 Ų81.644%0.43539%0.391SS..EExtended strand (participates in β ladder)trans-83.2108.7174.6-175.8-95.3000110.5K68 K85 F86Y66-K68 HydrophobicContact CD1-CG 3.99Å; Y66-K68 HydrophobicContact CE1-CG 4.25Å; Y66-K68 PolarHBondContact O-N 3.19Å; Y66-K85 HydrophobicContact CD2-CB 4.13Å; Y66-K85 HydrophobicContact CE1-CD 4.41Å; Y66-K85 HydrophobicContact CE2-CB 3.78Å; Y66-K85 HydrophobicContact CE2-CD 4.34Å; Y66-K85 HydrophobicContact CE2-CG 4.44Å; Y66-F86 HydrophobicContact CD2-CE1 4.34Å
67C80.8Confident83.9Confident4 Ų483.7 Ų83.73%0.02741%0.412CS..  trans-75.690.7-179.1-86.80000110.7H65 K69 K71 K85 C87H65-C67 PolarHBondContact O-N 3.2Å; C67-K69 VanDerWaalsContact C-N 3.25Å; C67-K69 PolarHBondContact O-N 3.39Å; C67-K71 HydrophobicContact CB-CG 4.29Å; C67-K85 WeakPolarHBondContact CB-O 3.4Å; C67-K85 PolarHBondContact N-O 2.9Å; C67-C87 HydrophobicContact CB-CB 4.25Å; C67-C87 WeakPolarHBondContact CB-SG 3.35Å; C67-C87 WeakPolarHBondContact SG-CB 3.17Å; C67-C87 CovalentContact SG-SG 2.07Å; C67-C87 PolarHBondContact SG-SG 3.27Å
68K79.7Confident84.4Confident180 Ų18085.5 Ų85.578%0.78341%0.409SS*.SBendtrans-57-31.2-179.7-66.6-174.1178.5-174.50114.7Y66Y66-K68 HydrophobicContact CD1-CG 3.99Å; Y66-K68 HydrophobicContact CE1-CG 4.25Å; Y66-K68 PolarHBondContact O-N 3.19Å
69K79.9Confident84.6Confident158 Ų15883.6 Ų83.669%0.68740%0.403SS*.SBendtrans-116.3154.4175.9-65.7-172.6178.5-173.20109C67 K71C67-K69 VanDerWaalsContact C-N 3.25Å; C67-K69 PolarHBondContact O-N 3.39Å; K69-K71 PolarHBondContact O-N 2.93Å
70P81.3Confident84.6Confident100 Ų10080.7 Ų80.765%0.64938%0.384SS*.  trans-51.3124.4170.4-2534.2000110.4M79P70-M79 HydrophobicContact CB-SD 4.13Å
71K82.8Confident83.9Confident86 Ų8684 Ų8437%0.37441%0.406SS..  trans-122.2142.8175.7-68.7-58.2-176.1-178.80108.4C67 K69 I80C67-K71 HydrophobicContact CB-CG 4.29Å; K69-K71 PolarHBondContact O-N 2.93Å; K71-I80 HydrophobicContact CB-CD1 4.27Å; K71-I80 WeakPolarHBondContact O-CB 3.5Å; K71-I80 WeakPolarHBondContact O-CG1 3.31Å; K71-I80 PolarHBondContact O-N 3.31Å
72F84.6Confident82.4Confident129 Ų12982 Ų8257%0.56640%0.401SS*.BIsolated β-bridgetrans-91.2145.1170.8-65-88.2000109.1R78 M79F72-R78 WeakPolarHBondContact CA-O 3.46Å; F72-M79 HydrophobicContact CD1-CB 4.11Å; F72-M79 HydrophobicContact CE1-CB 3.93Å
73C85.8Confident80.9Confident2 Ų288.1 Ų88.11%0.01444%0.435CS..  trans-73.1126.3174.5173.50000109.7V75 C76 A77 R78 I80 N96 H98C73-V75 PolarHBondContact O-N 3.46Å; C73-V75 PolarHBondContact SG-N 3.02Å; C73-C76 VanDerWaalsContact CB-SG 3.53Å; C73-C76 VanDerWaalsContact SG-SG 3.65Å; C73-A77 WeakPolarHBondContact O-CA 3.31Å; C73-A77 PolarHBondContact O-N 3.17Å; C73-R78 PolarHBondContact N-O 3.43Å; C73-I80 HydrophobicContact CB-CD1 4.22Å; C73-I80 HydrophobicContact CB-CG1 3.92Å; C73-N96 WeakPolarHBondContact CA-O 3.14Å; C73-H98 WeakPolarHBondContact CB-CE1 3.42Å; C73-H98 WeakPolarHBondContact CB-ND1 2.87Å; C73-H98 PolarHBondContact SG-N 3.24Å; C73-H98 PolarHBondContact SG-ND1 3.42Å; C73-H98 VanDerWaalsContact SG-ND1 3.37Å
74D83.7Confident79.5Confident69 Ų6987.1 Ų87.137%0.36944%0.437SS..THydrogen-bonded Turntrans-67.3-16-178.7-66.6-51.3000112.9T95 N96 I97 V284D74-T95 HydrophobicContact CB-CG2 3.57Å; D74-T95 VanDerWaalsContact OD2-CA 3.32Å; D74-T95 WeakPolarHBondContact OD2-CA 3.44Å; D74-T95 WeakPolarHBondContact OD2-CG2 3.44Å; D74-N96 PolarHBondContact N-O 3.06Å; D74-N96 PolarHBondContact OD2-N 3.12Å; D74-I97 HydrophobicContact CB-CG2 4.41Å; D74-V284 HydrophobicContact CB-CG1 4.33Å; D74-V284 WeakPolarHBondContact O-CG1 3.17Å
75V83.6Confident78.4Confident12 Ų1287.1 Ų87.17%0.07343%0.432CS..THydrogen-bonded Turntrans-88.8-55.4176.9-169.20000112.2C73 I97 C101 Y104 V105 V284C73-V75 PolarHBondContact O-N 3.46Å; C73-V75 PolarHBondContact SG-N 3.02Å; V75-I97 HydrophobicContact CG2-CB 4.06Å; V75-I97 HydrophobicContact CG2-CG2 3.56Å; V75-C101 HydrophobicContact CB-CB 3.82Å; V75-C101 HydrophobicContact CG1-CB 4.2Å; V75-C101 HydrophobicContact CG2-CB 3.76Å; V75-Y104 HydrophobicContact CG1-CD2 3.8Å; V75-Y104 HydrophobicContact CG1-CG 3.99Å; V75-V105 HydrophobicContact CG2-CG1 3.77Å; V75-V284 HydrophobicContact CB-CG2 4.18Å; V75-V284 HydrophobicContact CG1-CG2 4.1Å; V75-V284 HydrophobicContact CG2-CG2 3.96Å
76C80.1Confident78.1Confident22 Ų2288.9 Ų88.915%0.14944%0.439CS..THydrogen-bonded Turntrans-99.3-5.4-170.975.70000113.6C73 R78 H98C73-C76 VanDerWaalsContact CB-SG 3.53Å; C73-C76 VanDerWaalsContact SG-SG 3.65Å; C76-R78 PolarHBondContact O-N 3.23Å; C76-R78 PolarHBondContact SG-N 3.37Å; C76-H98 PolarHBondContact SG-CE1 2.93Å; C76-H98 PolarHBondContact SG-ND1 3.04Å
77A80.8Confident78.1Confident72 Ų7283.6 Ų83.660%0.59542%0.418SS*.  trans57.97.9-175.100000115.3C73C73-A77 WeakPolarHBondContact O-CA 3.31Å; C73-A77 PolarHBondContact O-N 3.17Å
78R82.1Confident78.6Confident170 Ų17083.7 Ų83.764%0.64242%0.418SS*.SBendtrans-85.9153.8174.4-60.8-174179115.3-4.1110.8F72 C73 C76F72-R78 WeakPolarHBondContact CA-O 3.46Å; C73-R78 PolarHBondContact N-O 3.43Å; C76-R78 PolarHBondContact O-N 3.23Å; C76-R78 PolarHBondContact SG-N 3.37Å
79M84.3Confident79Confident81 Ų8178.1 Ų78.140%0.39939%0.392SS..BIsolated β-bridgetrans-62.2137.9176-173.7168.255.200110.4P70 F72 V81 H98P70-M79 HydrophobicContact CB-SD 4.13Å; F72-M79 HydrophobicContact CD1-CB 4.11Å; F72-M79 HydrophobicContact CE1-CB 3.93Å; M79-V81 VanDerWaalsContact C-N 3.26Å; M79-V81 HydrophobicContact CB-CG2 4.05Å; M79-V81 HydrophobicContact CE-CB 4.36Å; M79-V81 HydrophobicContact CE-CG1 3.66Å; M79-V81 HydrophobicContact CE-CG2 3.74Å; M79-V81 HydrophobicContact CG-CG1 4.24Å; M79-V81 HydrophobicContact CG-CG2 4.05Å; M79-V81 PolarHBondContact O-N 3.11Å; M79-V81 HydrophobicContact SD-CG1 4.22Å; M79-H98 PolarHBondContact O-NE2 2.84Å
80I85.1Confident79.4Confident6 Ų670.6 Ų70.63%0.03136%0.359CS..  trans-82.881.2172.6-52.4171.2000107.7K71 C73 C87 N96 H98K71-I80 HydrophobicContact CB-CD1 4.27Å; K71-I80 WeakPolarHBondContact O-CB 3.5Å; K71-I80 WeakPolarHBondContact O-CG1 3.31Å; K71-I80 PolarHBondContact O-N 3.31Å; C73-I80 HydrophobicContact CB-CD1 4.22Å; C73-I80 HydrophobicContact CB-CG1 3.92Å; I80-C87 HydrophobicContact CD1-CB 3.92Å; I80-C87 HydrophobicContact CG2-CB 3.8Å; I80-N96 HydrophobicContact CD1-CB 4.04Å; I80-H98 WeakPolarHBondContact CA-NE2 3.36Å
81V71.4Confident79.8Confident101 Ų10171.3 Ų71.361%0.61235%0.352SS*.  trans-111.877.1169.7-98.20000106.7M79M79-V81 VanDerWaalsContact C-N 3.26Å; M79-V81 HydrophobicContact CB-CG2 4.05Å; M79-V81 HydrophobicContact CE-CB 4.36Å; M79-V81 HydrophobicContact CE-CG1 3.66Å; M79-V81 HydrophobicContact CE-CG2 3.74Å; M79-V81 HydrophobicContact CG-CG1 4.24Å; M79-V81 HydrophobicContact CG-CG2 4.05Å; M79-V81 PolarHBondContact O-N 3.11Å; M79-V81 HydrophobicContact SD-CG1 4.22Å
82L57.5Low79.9Confident90 Ų9070 Ų7047%0.47135%0.35SS..  trans-91153.1156-92.194.2000108N84 K85L82-N84 PolarHBondContact O-N 3.17Å; L82-K85 PolarHBondContact O-N 3.47Å
83N60.1Low79.9Confident166 Ų16664.7 Ų64.789%0.88833%0.328SS*.THydrogen-bonded Turntrans-52.6-2.4-178.8-77.45.3000115.3
84N62.1Low79.9Confident111 Ų11169.9 Ų69.959%0.59435%0.35SS*.THydrogen-bonded Turntrans-136.418.5175.2-73.9-32.2000115.2L82 F86L82-N84 PolarHBondContact O-N 3.17Å; N84-F86 HydrophobicContact CB-CD2 3.31Å; N84-F86 HydrophobicContact CB-CE2 3.55Å; N84-F86 HydrophobicContact CB-CG 4.46Å; N84-F86 VanDerWaalsContact O-CD2 3.27Å; N84-F86 WeakPolarHBondContact O-CD2 3.35Å; N84-F86 PolarHBondContact O-N 3.38Å
85K67.1Low79.9Confident100 Ų10068 Ų6844%0.43534%0.342SS..  trans49.918.9-178-56.5-175.8-171.21690115.1Y66 C67 L82Y66-K85 HydrophobicContact CD2-CB 4.13Å; Y66-K85 HydrophobicContact CE1-CD 4.41Å; Y66-K85 HydrophobicContact CE2-CB 3.78Å; Y66-K85 HydrophobicContact CE2-CD 4.34Å; Y66-K85 HydrophobicContact CE2-CG 4.44Å; C67-K85 WeakPolarHBondContact CB-O 3.4Å; C67-K85 PolarHBondContact N-O 2.9Å; L82-K85 PolarHBondContact O-N 3.47Å
86F80.3Confident80.2Confident96 Ų9668.2 Ų68.242%0.42134%0.343SS..EExtended strand (participates in β ladder)trans-79.2129.4176.8-71.7-69000110.2Y66 N84Y66-F86 HydrophobicContact CD2-CE1 4.34Å; N84-F86 HydrophobicContact CB-CD2 3.31Å; N84-F86 HydrophobicContact CB-CE2 3.55Å; N84-F86 HydrophobicContact CB-CG 4.46Å; N84-F86 VanDerWaalsContact O-CD2 3.27Å; N84-F86 WeakPolarHBondContact O-CD2 3.35Å; N84-F86 PolarHBondContact O-N 3.38Å
87C87.5Confident80.6Confident0 Ų067.2 Ų67.20%034%0.335CS..EExtended strand (participates in β ladder)trans-134.8147.1-178.559.60000108.5H65 C67 I80H65-C87 PolarHBondContact N-O 3.43Å; H65-C87 PolarHBondContact O-N 3.23Å; H65-C87 VanDerWaalsContact O-O 3.14Å; H65-C87 PolarHBondContact O-SG 3.13Å; C67-C87 HydrophobicContact CB-CB 4.25Å; C67-C87 WeakPolarHBondContact CB-SG 3.35Å; C67-C87 WeakPolarHBondContact SG-CB 3.17Å; C67-C87 CovalentContact SG-SG 2.07Å; C67-C87 PolarHBondContact SG-SG 3.27Å; I80-C87 HydrophobicContact CD1-CB 3.92Å; I80-C87 HydrophobicContact CG2-CB 3.8Å
88L90.1Very high81Confident6 Ų664.7 Ų64.73%0.03131%0.312CS..EExtended strand (participates in β ladder)trans-81.1122.5169.7-73.4176.8000108.5F62 D64 N96 I97 H99 Q102F62-L88 HydrophobicContact CB-CB 4.28Å; F62-L88 HydrophobicContact CB-CD2 4.3Å; F62-L88 HydrophobicContact CD1-CB 4.03Å; F62-L88 HydrophobicContact CG-CB 4.37Å; D64-L88 VanDerWaalsContact OD1-CD2 3.26Å; D64-L88 WeakPolarHBondContact OD1-CD2 3.42Å; L88-N96 WeakPolarHBondContact O-CA 3.17Å; L88-I97 HydrophobicContact CB-CD1 4.4Å; L88-I97 HydrophobicContact CB-CG1 3.69Å; L88-I97 HydrophobicContact CD1-CD1 4.43Å; L88-I97 HydrophobicContact CD1-CG1 4.35Å; L88-I97 PolarHBondContact N-O 3.48Å; L88-I97 PolarHBondContact O-N 3.24Å; L88-H99 HydrophobicContact CD1-CB 4.45Å; L88-Q102 HydrophobicContact CD1-CB 3.81Å; L88-Q102 HydrophobicContact CD1-CG 4.13Å
89R89.1Confident81.3Confident63 Ų6360.6 Ų60.624%0.23830%0.299CS..EExtended strand (participates in β ladder)trans-114.1128.5175.4179.4175.9-72.8-172.9-2.6110.9K63 H65 K91 T95 N96K63-R89 PolarHBondContact N-O 3.27Å; K63-R89 PolarHBondContact O-N 2.87Å; H65-R89 HydrophobicContact CB-CB 3.6Å; H65-R89 PolarHBondContact CE1-NH1 3.4Å; H65-R89 VanDerWaalsContact CE1-NH1 3.33Å; H65-R89 PolarHBondContact CE1-NH2 3.45Å; H65-R89 VanDerWaalsContact NE2-CZ 3.35Å; H65-R89 PolarHBondContact NE2-NH1 2.89Å; R89-K91 PolarHBondContact O-N 2.91Å; R89-T95 WeakPolarHBondContact CA-O 3.39Å; R89-N96 PolarHBondContact NE-OD1 3Å; R89-N96 PolarHBondContact NH2-OD1 3.06Å
90C89Confident81.5Confident0 Ų061 Ų610%031%0.31CS..EExtended strand (participates in β ladder)trans-70.8128.6172.9-1720000110.7H60 K61 F62 N92 C93 K94 T95H60-C90 PolarHBondContact ND1-SG 3.02Å; H60-C90 VanDerWaalsContact ND1-SG 3.45Å; K61-C90 CarbonylContact O-C 3.49Å; K61-C90 WeakPolarHBondContact O-CA 3.24Å; F62-C90 HydrophobicContact CD1-CB 3.93Å; F62-C90 HydrophobicContact CE1-CB 3.67Å; F62-C90 HydrophobicContact CZ-CB 4.28Å; C90-N92 PolarHBondContact O-N 3.03Å; C90-C93 WeakPolarHBondContact CB-SG 3.08Å; C90-K94 VanDerWaalsContact O-CA 3.28Å; C90-K94 WeakPolarHBondContact O-CA 3.44Å; C90-K94 PolarHBondContact O-N 3.49Å; C90-T95 PolarHBondContact N-O 2.81Å
91K88.3Confident81.6Confident115 Ų11561.1 Ų61.150%0.531%0.311SS..THydrogen-bonded Turntrans-62.1-34177.5-71.1-176.6-179.6176.20112.5K61 R89 K94K61-K91 HydrophobicContact CB-CB 4.44Å; K61-K91 PolarHBondContact O-N 2.98Å; R89-K91 PolarHBondContact O-N 2.91Å; K91-K94 PolarHBondContact O-NZ 2.98Å
92N86.2Confident82.4Confident60 Ų6060 Ų6032%0.32130%0.3SS..THydrogen-bonded Turntrans-83.4-61.8-173.6-63.9-9.5000111.6C90 C110 G112 K113C90-N92 PolarHBondContact O-N 3.03Å; N92-C110 VanDerWaalsContact CB-SG 3.53Å; N92-G112 CarbonylContact O-C 3.59Å; N92-K113 VanDerWaalsContact O-CG 3.23Å; N92-K113 WeakPolarHBondContact O-CG 2.95Å; N92-K113 PolarHBondContact O-N 3.49Å
93C83.4Confident83.7Confident17 Ų1760.1 Ų60.112%0.11530%0.298CS..THydrogen-bonded Turntrans-96.8-2.9-174.663.70000115.8H60 C90 T95 C110 G112H60-C93 PolarHBondContact CE1-SG 2.79Å; H60-C93 PolarHBondContact ND1-SG 3.02Å; C90-C93 WeakPolarHBondContact CB-SG 3.08Å; C93-T95 PolarHBondContact O-N 3.17Å; C93-T95 PolarHBondContact SG-OG1 2.84Å; C93-C110 VanDerWaalsContact SG-SG 3.66Å; C93-G112 WeakPolarHBondContact CA-O 3.25Å; C93-G112 VanDerWaalsContact CB-O 3.27Å; C93-G112 WeakPolarHBondContact CB-O 3.47Å
94K86.1Confident84.7Confident110 Ų11057 Ų5748%0.47827%0.274SS..  trans61.97179.8-51.3-55.7-172.3-162.50116.4C90 K91 N96C90-K94 VanDerWaalsContact O-CA 3.28Å; C90-K94 WeakPolarHBondContact O-CA 3.44Å; C90-K94 PolarHBondContact O-N 3.49Å; K91-K94 PolarHBondContact O-NZ 2.98Å; K94-N96 PolarHBondContact O-ND2 3.34Å
95T84.8Confident85.7Confident30 Ų3051.9 Ų51.918%0.18425%0.247CC..  trans-50.3137.3167.4-57.20000110.7D74 R89 C90 C93 I97D74-T95 HydrophobicContact CB-CG2 3.57Å; D74-T95 VanDerWaalsContact OD2-CA 3.32Å; D74-T95 WeakPolarHBondContact OD2-CA 3.44Å; D74-T95 WeakPolarHBondContact OD2-CG2 3.44Å; R89-T95 WeakPolarHBondContact CA-O 3.39Å; C90-T95 PolarHBondContact N-O 2.81Å; C93-T95 PolarHBondContact O-N 3.17Å; C93-T95 PolarHBondContact SG-OG1 2.84Å; T95-I97 HydrophobicContact CG2-CG2 3.86Å
96N87.9Confident86.3Confident17 Ų1752.2 Ų52.29%0.09125%0.25CC..EExtended strand (participates in β ladder)trans-116.8127179-54.9-92.9000109.2C73 D74 I80 L88 R89 K94C73-N96 WeakPolarHBondContact CA-O 3.14Å; D74-N96 PolarHBondContact N-O 3.06Å; D74-N96 PolarHBondContact OD2-N 3.12Å; I80-N96 HydrophobicContact CD1-CB 4.04Å; L88-N96 WeakPolarHBondContact O-CA 3.17Å; R89-N96 PolarHBondContact NE-OD1 3Å; R89-N96 PolarHBondContact NH2-OD1 3.06Å; K94-N96 PolarHBondContact O-ND2 3.34Å
97I89.4Confident86Confident0 Ų053.3 Ų53.30%026%0.255CS..EExtended strand (participates in β ladder)trans-135.3160.9-177.969.2177.6000110.6F62 D74 V75 L88 T95 C101 Q102 V105F62-I97 HydrophobicContact CD1-CD1 4.07Å; F62-I97 HydrophobicContact CD1-CG1 4.27Å; F62-I97 HydrophobicContact CD2-CD1 4.36Å; F62-I97 HydrophobicContact CE1-CD1 3.59Å; F62-I97 HydrophobicContact CE1-CG1 3.93Å; F62-I97 HydrophobicContact CE2-CD1 3.9Å; F62-I97 HydrophobicContact CG-CD1 4.45Å; F62-I97 HydrophobicContact CZ-CD1 3.52Å; F62-I97 HydrophobicContact CZ-CG1 4.34Å; D74-I97 HydrophobicContact CB-CG2 4.41Å; V75-I97 HydrophobicContact CG2-CB 4.06Å; V75-I97 HydrophobicContact CG2-CG2 3.56Å; L88-I97 HydrophobicContact CB-CD1 4.4Å; L88-I97 HydrophobicContact CB-CG1 3.69Å; L88-I97 HydrophobicContact CD1-CD1 4.43Å; L88-I97 HydrophobicContact CD1-CG1 4.35Å; L88-I97 PolarHBondContact N-O 3.48Å; L88-I97 PolarHBondContact O-N 3.24Å; T95-I97 HydrophobicContact CG2-CG2 3.86Å; I97-C101 HydrophobicContact CB-CB 4.28Å; I97-Q102 HydrophobicContact CD1-CB 4.26Å; I97-V105 HydrophobicContact CD1-CG2 3.58Å
98H89.5Confident85.5Confident20 Ų2054 Ų549%0.09326%0.258CS..  trans-70.3156.3165.5-58.4107.8000110.5C73 C76 M79 I80 S100 C101C73-H98 WeakPolarHBondContact CB-CE1 3.42Å; C73-H98 WeakPolarHBondContact CB-ND1 2.87Å; C73-H98 PolarHBondContact SG-N 3.24Å; C73-H98 PolarHBondContact SG-ND1 3.42Å; C73-H98 VanDerWaalsContact SG-ND1 3.37Å; C76-H98 PolarHBondContact SG-CE1 2.93Å; C76-H98 PolarHBondContact SG-ND1 3.04Å; M79-H98 PolarHBondContact O-NE2 2.84Å; I80-H98 WeakPolarHBondContact CA-NE2 3.36Å; H98-S100 VanDerWaalsContact C-N 3.31Å; H98-S100 PolarHBondContact O-N 2.79Å; H98-C101 HydrophobicContact CB-CB 4.21Å; H98-C101 WeakPolarHBondContact O-CB 3.46Å; H98-C101 PolarHBondContact O-N 2.83Å
99H88.8Confident85.1Confident83 Ų8360.5 Ų60.538%0.38428%0.282SS..G310 helixtrans-56.3-45.3171.3-77.6-99.1000112.1D64 L88 C101 Q102D64-H99 IonicContact OD1-CE1 3.16Å; D64-H99 PolarHBondContact OD1-CE1 2.91Å; D64-H99 IonicContact OD1-NE2 3.71Å; L88-H99 HydrophobicContact CD1-CB 4.45Å; H99-C101 PolarHBondContact O-N 3.08Å; H99-Q102 WeakPolarHBondContact O-CB 3.35Å; H99-Q102 PolarHBondContact O-N 2.68Å; H99-Q102 VanDerWaalsContact O-N 3.14Å
100S88.2Confident84.8Confident90 Ų9057.8 Ų57.863%0.62927%0.273SS*.G310 helixtrans-65-6.1175.758.90000114.6H98 H103H98-S100 VanDerWaalsContact C-N 3.31Å; H98-S100 PolarHBondContact O-N 2.79Å; S100-H103 PolarHBondContact O-CE1 3.31Å; S100-H103 PolarHBondContact O-ND1 2.88Å
101C87.6Confident84.2Confident8 Ų861.3 Ų61.35%0.05429%0.288CS..G310 helixtrans-104.7-0.8178.6-67.90000113.4V75 I97 H98 H99 Y104V75-C101 HydrophobicContact CB-CB 3.82Å; V75-C101 HydrophobicContact CG1-CB 4.2Å; V75-C101 HydrophobicContact CG2-CB 3.76Å; I97-C101 HydrophobicContact CB-CB 4.28Å; H98-C101 HydrophobicContact CB-CB 4.21Å; H98-C101 WeakPolarHBondContact O-CB 3.46Å; H98-C101 PolarHBondContact O-N 2.83Å; H99-C101 PolarHBondContact O-N 3.08Å; C101-Y104 HydrophobicContact CB-CD2 4.39Å; C101-Y104 PolarHBondContact O-N 2.93Å
102Q87.9Confident83.9Confident78 Ų7856.8 Ų56.836%0.36427%0.274SS..SBendtrans-62.6-44.6-175.9-177.1177.3-24.800112.9F62 L88 I97 H99 Y104 V105 E106F62-Q102 HydrophobicContact CD2-CG 4.36Å; L88-Q102 HydrophobicContact CD1-CB 3.81Å; L88-Q102 HydrophobicContact CD1-CG 4.13Å; I97-Q102 HydrophobicContact CD1-CB 4.26Å; H99-Q102 WeakPolarHBondContact O-CB 3.35Å; H99-Q102 PolarHBondContact O-N 2.68Å; H99-Q102 VanDerWaalsContact O-N 3.14Å; Q102-Y104 PolarHBondContact O-N 3.5Å; Q102-V105 WeakPolarHBondContact O-CG2 3.49Å; Q102-V105 PolarHBondContact O-N 3.3Å; Q102-E106 PolarHBondContact O-N 2.91Å
103H84.9Confident83.3Confident93 Ų9361.7 Ų61.743%0.43129%0.292SS..Hα-helixtrans-62.4-26.7-17768.4-72000112.8S100 V105S100-H103 PolarHBondContact O-CE1 3.31Å; S100-H103 PolarHBondContact O-ND1 2.88Å; H103-V105 PolarHBondContact O-N 3.49Å
104Y81.5Confident82.2Confident101 Ų10163.7 Ų63.740%0.39630%0.302SS..Hα-helixtrans-68.9-22.3177.5-65-64.7000113.4V75 C101 Q102 Q108V75-Y104 HydrophobicContact CG1-CD2 3.8Å; V75-Y104 HydrophobicContact CG1-CG 3.99Å; C101-Y104 HydrophobicContact CB-CD2 4.39Å; C101-Y104 PolarHBondContact O-N 2.93Å; Q102-Y104 PolarHBondContact O-N 3.5Å; Y104-Q108 PolarHBondContact O-NE2 3Å
105V81.4Confident80.8Confident2 Ų263.1 Ų63.11%0.01231%0.309CS..Hα-helixtrans-115-2.2-175.7-66.50000113.4F62 V75 I97 Q102 H103 F107 Q108 V284F62-V105 HydrophobicContact CE2-CG2 3.55Å; F62-V105 HydrophobicContact CZ-CG2 3.64Å; V75-V105 HydrophobicContact CG2-CG1 3.77Å; I97-V105 HydrophobicContact CD1-CG2 3.58Å; Q102-V105 WeakPolarHBondContact O-CG2 3.49Å; Q102-V105 PolarHBondContact O-N 3.3Å; H103-V105 PolarHBondContact O-N 3.49Å; V105-F107 VanDerWaalsContact C-N 3.3Å; V105-F107 PolarHBondContact O-N 2.93Å; V105-Q108 PolarHBondContact O-N 3.41Å; V105-Q108 VanDerWaalsContact O-N 3.08Å; V105-V284 HydrophobicContact CG1-CB 4.07Å; V105-V284 HydrophobicContact CG1-CG2 3.51Å
106E80.1Confident78.9Confident107 Ų10768.4 Ų68.450%0.534%0.344SS..Hα-helixtrans-59.1-42.3-179.4-176.5163.7-156.100112.1N56 Q102 Q108N56-E106 PolarHBondContact ND2-O 2.86Å; Q102-E106 PolarHBondContact O-N 2.91Å; E106-Q108 VanDerWaalsContact C-N 3.3Å; E106-Q108 PolarHBondContact O-N 3.47Å
107F73.6Confident77.1Confident120 Ų12071.2 Ų71.253%0.52638%0.376SS..THydrogen-bonded Turntrans-85.93.2178.5-52.5-74.4000113.8V105V105-F107 VanDerWaalsContact C-N 3.3Å; V105-F107 PolarHBondContact O-N 2.93Å
108Q77.7Confident75.3Confident15 Ų1575.8 Ų75.87%0.0740%0.396CS..SBendtrans-97.5137.3-177.2-62.8-176.734.600112.6N56 H60 Y104 V105 E106 C110 F283 V284N56-Q108 PolarHBondContact ND2-N 2.95Å; N56-Q108 PolarHBondContact ND2-O 3.29Å; H60-Q108 PolarHBondContact CD2-O 3.47Å; H60-Q108 VanDerWaalsContact CD2-O 3.24Å; Y104-Q108 PolarHBondContact O-NE2 3Å; V105-Q108 PolarHBondContact O-N 3.41Å; V105-Q108 VanDerWaalsContact O-N 3.08Å; E106-Q108 VanDerWaalsContact C-N 3.3Å; E106-Q108 PolarHBondContact O-N 3.47Å; Q108-C110 PolarHBondContact O-N 3.43Å; Q108-F283 HydrophobicContact CG-CD2 4.09Å; Q108-V284 VanDerWaalsContact NE2-N 3.12Å; Q108-V284 VanDerWaalsContact OE1-CB 3.3Å; Q108-V284 PolarHBondContact OE1-O 3.42Å
109R81.4Confident73.3Confident142 Ų14285.4 Ų85.454%0.53643%0.432SS..PPolyproline II helixtrans-64.6123.3178.9-171.9177167.7172.7-4.9111.7N56 K58 F111N56-R109 VanDerWaalsContact OD1-CA 3.25Å; N56-R109 WeakPolarHBondContact OD1-CA 3.23Å; K58-R109 HydrophobicContact CB-CG 4.1Å; R109-F111 WeakPolarHBondContact O-CD2 3.34Å; R109-F111 WeakPolarHBondContact O-CE2 3.31Å; R109-F111 PolarHBondContact O-N 2.97Å
110C84Confident71.4Confident6 Ų687.2 Ų87.24%0.04144%0.435CS..PPolyproline II helixtrans-71.4122.2173.4-1730000110.7K58 H60 N92 C93 Q108 G112K58-C110 WeakPolarHBondContact O-CB 3.46Å; K58-C110 PolarHBondContact O-N 3.47Å; H60-C110 HydrophobicContact CB-CB 4.49Å; N92-C110 VanDerWaalsContact CB-SG 3.53Å; C93-C110 VanDerWaalsContact SG-SG 3.66Å; Q108-C110 PolarHBondContact O-N 3.43Å; C110-G112 VanDerWaalsContact C-N 3.27Å; C110-G112 PolarHBondContact O-N 3.05Å
111F76.2Confident69.2Low74 Ų7485.8 Ų85.833%0.32543%0.429SS..  trans-77.9-4.2180-63.7-79.6000114.7R109 N286R109-F111 WeakPolarHBondContact O-CD2 3.34Å; R109-F111 WeakPolarHBondContact O-CE2 3.31Å; R109-F111 PolarHBondContact O-N 2.97Å; F111-N286 HydrophobicContact CD2-CB 4.19Å; F111-N286 HydrophobicContact CE2-CB 4.19Å
112G81.9Confident67.2Low20 Ų2094 Ų9421%0.20646%0.46CS..  trans69.1-167.9-178.500000113.8N92 C93 C110 I114N92-G112 CarbonylContact O-C 3.59Å; C93-G112 WeakPolarHBondContact CA-O 3.25Å; C93-G112 VanDerWaalsContact CB-O 3.27Å; C93-G112 WeakPolarHBondContact CB-O 3.47Å; C110-G112 VanDerWaalsContact C-N 3.27Å; C110-G112 PolarHBondContact O-N 3.05Å; G112-I114 PolarHBondContact O-N 3.22Å
113K73Confident65.1Low162 Ų16295.3 Ų95.370%0.70448%0.478SS*.PPolyproline II helixtrans-70.7116.5176.2-64.4179.6-175.5174.10107.8N92N92-K113 VanDerWaalsContact O-CG 3.23Å; N92-K113 WeakPolarHBondContact O-CG 2.95Å; N92-K113 PolarHBondContact O-N 3.49Å
114I61.1Low62.9Low60 Ų6094 Ų9431%0.30848%0.48SS..PPolyproline II helixtrans-65.9132.3168.2-53.5104.1000108G112 F118 E288G112-I114 PolarHBondContact O-N 3.22Å; I114-F118 HydrophobicContact CG2-CB 4.06Å; I114-E288 WeakPolarHBondContact CB-OE2 3.45Å; I114-E288 VanDerWaalsContact CD1-OE2 3.24Å; I114-E288 WeakPolarHBondContact CD1-OE2 3.43Å; I114-E288 WeakPolarHBondContact CG1-OE2 3.43Å; I114-E288 WeakPolarHBondContact CG2-OE2 3.41Å
115P56Low61Low97 Ų9794.6 Ų94.663%0.6350%0.496SS*.PPolyproline II helixtrans-52.2134.2179.9-28.835.6000112.2G117 F118P115-G117 PolarHBondContact O-N 3.46Å; P115-F118 PolarHBondContact O-N 3.07Å
116P43.8Very low58.9Low142 Ų142102.2 Ų102.292%0.92254%0.535SS*.THydrogen-bonded Turntrans-64.7104.217726.1-30.8000108.8
117G50.5Low57Low75 Ų75105 Ų10577%0.77354%0.543SS*.THydrogen-bonded Turntrans153.7-22.7-173.400000112.6P115P115-G117 PolarHBondContact O-N 3.46Å
118F52Low55.2Low96 Ų96103.6 Ų103.642%0.42155%0.548SS..  trans-99.422.8179.7-132.6-101.9000114.6I114 P115 R120I114-F118 HydrophobicContact CG2-CB 4.06Å; P115-F118 PolarHBondContact O-N 3.07Å; F118-R120 VanDerWaalsContact CZ-NH2 3.33Å; F118-R120 PolarHBondContact O-N 3.02Å
119R47.3Very low53.4Low223 Ų223108.8 Ų108.884%0.84259%0.586SS**  trans-78.678.3168.2-75-132.3-82.2-92.3-0.3109.4A121R119-A121 PolarHBondContact O-N 3.37Å
120R50Low51.5Low120 Ų120108.6 Ų108.645%0.45360%0.595SS.*  trans-69.9117.4171.4-68.3-178.1-167-103-1.9108.8F118F118-R120 VanDerWaalsContact CZ-NH2 3.33Å; F118-R120 PolarHBondContact O-N 3.02Å
121A42.3Very low49.5Very low61 Ų61117.3 Ų117.350%0.50464%0.636SS.*  trans-63.9143.4160.300000107.9R119 S123 S124R119-A121 PolarHBondContact O-N 3.37Å; A121-S123 PolarHBondContact O-N 3.43Å; A121-S124 PolarHBondContact O-N 3.34Å; A121-S124 VanDerWaalsContact O-N 3.11Å
122Y45.4Very low47.9Very low180 Ų180118.5 Ų118.571%0.70665%0.651SS**THydrogen-bonded Turntrans-59.3-5.2-177.2-98.6-94.1000114.8R287Y122-R287 HydrophobicContact CE2-CG 4.33Å; Y122-R287 VanDerWaalsContact CE2-CZ 3.41Å; Y122-R287 VanDerWaalsContact CZ-NE 3.32Å; Y122-R287 VanDerWaalsContact CZ-NH2 3.29Å; Y122-R287 VanDerWaalsContact OH-CG 3.31Å; Y122-R287 WeakPolarHBondContact OH-CG 3.26Å; Y122-R287 PolarHBondContact OH-NE 2.97Å; Y122-R287 PolarHBondContact OH-NH2 3.03Å
123S43.2Very low46.3Very low105 Ų105123.5 Ų123.573%0.73467%0.672SS**THydrogen-bonded Turntrans-97.22.3178.251.20000114.7A121A121-S123 PolarHBondContact O-N 3.43Å
124S38.8Very low45.1Very low66 Ų66121.5 Ų121.546%0.46268%0.676SS.*SBendtrans-90124.3179.8-58.70000111.9A121A121-S124 PolarHBondContact O-N 3.34Å; A121-S124 VanDerWaalsContact O-N 3.11Å
125P42.1Very low44.4Very low114 Ų114125.3 Ų125.374%0.7470%0.697SS**PPolyproline II helixtrans-57.2141.6177.1-20.331.2000111.4Y127P125-Y127 PolarHBondContact O-N 2.91Å
126L37.5Very low44.3Very low161 Ų161126.1 Ų126.184%0.84370%0.696SS**PPolyproline II helixtrans-62122.5176.7-70.3167.4000108.9S128L126-S128 PolarHBondContact O-N 3.2Å; L126-S128 VanDerWaalsContact O-N 3.1Å
127Y39.5Very low44.4Very low166 Ų166125.6 Ų125.665%0.65169%0.693SS**  trans-65.1109.9166.5-119.5-100.6000106.8P125 S129P125-Y127 PolarHBondContact O-N 2.91Å; Y127-S129 PolarHBondContact O-N 3.38Å
128S36.5Very low44.7Very low90 Ų90128.8 Ų128.863%0.62969%0.692SS**  trans-64.6123.4161.7-66.60000107.3L126 D130L126-S128 PolarHBondContact O-N 3.2Å; L126-S128 VanDerWaalsContact O-N 3.1Å; S128-D130 PolarHBondContact O-N 3.09Å
129S39.7Very low44.8Very low124 Ų124132.5 Ų132.587%0.86770%0.703SS**  trans-77.962.6172.2-56.90000109.8Y127Y127-S129 PolarHBondContact O-N 3.38Å
130D40.5Very low45.2Very low139 Ų139126.1 Ų126.174%0.74369%0.686SS**  trans-90.5115.3163-74.6-50.1000107.3S128S128-D130 PolarHBondContact O-N 3.09Å
131Q42.5Very low45.7Very low189 Ų189124.1 Ų124.188%0.88368%0.684SS**PPolyproline II helixtrans-63135.5174-70.7-159.4-50.700109.3
132P41.8Very low46.5Very low99 Ų99123.3 Ų123.364%0.64367%0.674SS**PPolyproline II helixtrans-77.9129.6-178.728.6-30.6000111.4
133D49.3Very low47.1Very low124 Ų124118.9 Ų118.966%0.66367%0.665SS**PPolyproline II helixtrans-62.6131.8165.6-172.8-43.6000110.2N135D133-N135 VanDerWaalsContact C-N 3.28Å; D133-N135 PolarHBondContact O-N 3.42Å; D133-N135 PolarHBondContact OD1-N 3.42Å
134P47.2Very low47.8Very low120 Ų120120 Ų12078%0.77966%0.657SS**THydrogen-bonded Turntrans-72.3-1.8-171.327-34.2000116.5
135N48Very low48.9Very low140 Ų140119.8 Ų119.875%0.74965%0.651SS**THydrogen-bonded Turntrans-109.618.9-166-79.2-36.8000118D133 P137D133-N135 VanDerWaalsContact C-N 3.28Å; D133-N135 PolarHBondContact O-N 3.42Å; D133-N135 PolarHBondContact OD1-N 3.42Å; N135-P137 WeakPolarHBondContact O-CD 3.45Å
136N52.5Low50Low115 Ų115119 Ų11962%0.61564%0.644SS**  trans-105111177.3-164.6-14.2000113.4N138N136-N138 VanDerWaalsContact C-N 3.31Å; N136-N138 PolarHBondContact O-N 3.16Å; N136-N138 PolarHBondContact OD1-N 3.04Å
137P45.7Very low51.5Low131 Ų131116.5 Ų116.585%0.85163%0.631SS**  trans-80.2-3.3-176.531.9-34.5000114.5N135N135-P137 WeakPolarHBondContact O-CD 3.45Å
138N56.9Low53Low141 Ų141113.9 Ų113.975%0.75462%0.62SS**  trans-106.571-179-155.312.1000111.3N136N136-N138 VanDerWaalsContact C-N 3.31Å; N136-N138 PolarHBondContact O-N 3.16Å; N136-N138 PolarHBondContact OD1-N 3.04Å
139R53.7Low54.6Low175 Ų175113.3 Ų113.366%0.6661%0.613SS**  trans-108.4113.1-178.2-131.8-172.5169.4-151.8-4.4110.6
140N55.9Low56Low88 Ų88109.3 Ų109.347%0.47159%0.591SS.*  trans-79.6135.6153.5-79.7-17000108.1D145 R148N140-D145 WeakPolarHBondContact CB-OD1 3.42Å; N140-R148 PolarHBondContact ND2-NH1 3.26Å; N140-R148 PolarHBondContact ND2-NH2 3.31Å
141D60.5Low57.6Low79 Ų79106.7 Ų106.742%0.42258%0.58SS.*  trans-56.2125.5-179.4167.74.4000109.3V143 F144 D145D141-V143 PolarHBondContact O-N 3.47Å; D141-V143 VanDerWaalsContact O-N 3.11Å; D141-V143 VanDerWaalsContact OD1-CB 3.32Å; D141-V143 WeakPolarHBondContact OD1-CB 3.29Å; D141-V143 WeakPolarHBondContact OD1-CG2 3.46Å; D141-V143 PolarHBondContact OD1-N 3.34Å; D141-F144 HydrophobicContact CB-CB 4.03Å; D141-F144 HydrophobicContact CB-CD2 4.38Å; D141-F144 CarbonylContact O-C 3.51Å; D141-F144 VanDerWaalsContact O-CA 3.28Å; D141-F144 WeakPolarHBondContact O-CA 3.25Å; D141-F144 WeakPolarHBondContact O-CB 3.43Å; D141-F144 PolarHBondContact O-N 2.87Å; D141-D145 PolarHBondContact O-N 2.88Å
142P60Low59Low44 Ų44102.4 Ų102.429%0.28656%0.562SS.*Hα-helixtrans-58.2-26-178.721.4-32.1000112.6T146P142-T146 WeakPolarHBondContact O-CB 3.46Å; P142-T146 PolarHBondContact O-N 3.42Å; P142-T146 PolarHBondContact O-OG1 2.85Å
143V58.6Low60Low86 Ų86103.7 Ų103.752%0.52156%0.561SS.*Hα-helixtrans-67.1-44170.3-177.70000110.2D141 T146 L147D141-V143 PolarHBondContact O-N 3.47Å; D141-V143 VanDerWaalsContact O-N 3.11Å; D141-V143 VanDerWaalsContact OD1-CB 3.32Å; D141-V143 WeakPolarHBondContact OD1-CB 3.29Å; D141-V143 WeakPolarHBondContact OD1-CG2 3.46Å; D141-V143 PolarHBondContact OD1-N 3.34Å; V143-T146 PolarHBondContact O-N 2.77Å; V143-L147 HydrophobicContact CG1-CD1 3.96Å; V143-L147 HydrophobicContact CG1-CG 4.47Å; V143-L147 WeakPolarHBondContact O-CB 3.31Å; V143-L147 WeakPolarHBondContact O-CG 3.22Å; V143-L147 PolarHBondContact O-N 2.81Å
144F57.3Low60.8Low129 Ų12999.9 Ų99.957%0.56655%0.547SS*.Hα-helixtrans-64.7-40.5175.9-110.1-89.8000113.4D141 L147 R148D141-F144 HydrophobicContact CB-CB 4.03Å; D141-F144 HydrophobicContact CB-CD2 4.38Å; D141-F144 CarbonylContact O-C 3.51Å; D141-F144 VanDerWaalsContact O-CA 3.28Å; D141-F144 WeakPolarHBondContact O-CA 3.25Å; D141-F144 WeakPolarHBondContact O-CB 3.43Å; D141-F144 PolarHBondContact O-N 2.87Å; F144-L147 PolarHBondContact O-N 3.26Å; F144-R148 VanDerWaalsContact O-CB 3.25Å; F144-R148 WeakPolarHBondContact O-CB 3.4Å; F144-R148 PolarHBondContact O-N 2.88Å
145D61.8Low61.8Low61 Ų6198 Ų9833%0.32653%0.53SS..Hα-helixtrans-67.8-40.1176.7-78.7-20.5000111.2N140 D141 R148 V149N140-D145 WeakPolarHBondContact CB-OD1 3.42Å; D141-D145 PolarHBondContact O-N 2.88Å; D145-R148 PolarHBondContact O-N 3.39Å; D145-R148 IonicContact OD1-CZ 3.67Å; D145-R148 IonicContact OD1-NH1 2.92Å; D145-R148 PolarHBondContact OD1-NH1 2.87Å; D145-R148 IonicContact OD1-NH2 3.39Å; D145-V149 VanDerWaalsContact O-CG2 3.31Å; D145-V149 WeakPolarHBondContact O-CG2 3.49Å; D145-V149 PolarHBondContact O-N 2.88Å
146T65.6Low62.8Low99 Ų9998.9 Ų98.961%0.60753%0.527SS*.Hα-helixtrans-65.7-41.5175.8-47.50000111.4P142 V143 V149 G150P142-T146 WeakPolarHBondContact O-CB 3.46Å; P142-T146 PolarHBondContact O-N 3.42Å; P142-T146 PolarHBondContact O-OG1 2.85Å; V143-T146 PolarHBondContact O-N 2.77Å; T146-V149 PolarHBondContact O-N 3.14Å; T146-G150 PolarHBondContact O-N 2.82Å
147L67.6Low63.1Low107 Ų107100.4 Ų100.456%0.5653%0.53SS*.Hα-helixtrans-64-42.8174.1-74.2169.4000111.4V143 F144 V149 G150 V151V143-L147 HydrophobicContact CG1-CD1 3.96Å; V143-L147 HydrophobicContact CG1-CG 4.47Å; V143-L147 WeakPolarHBondContact O-CB 3.31Å; V143-L147 WeakPolarHBondContact O-CG 3.22Å; V143-L147 PolarHBondContact O-N 2.81Å; F144-L147 PolarHBondContact O-N 3.26Å; L147-V149 PolarHBondContact O-N 2.77Å; L147-G150 PolarHBondContact O-N 2.75Å; L147-V151 VanDerWaalsContact O-CG2 3.29Å; L147-V151 WeakPolarHBondContact O-CG2 3.35Å; L147-V151 PolarHBondContact O-N 2.96Å
148R71.6Confident63.9Low111 Ų111102.7 Ų102.742%0.41952%0.522SS..Hα-helixtrans-60.8-46.3177.3-171.3-171.7-63.4137.23.1111.3N140 F144 D145 G150 V151 I152N140-R148 PolarHBondContact ND2-NH1 3.26Å; N140-R148 PolarHBondContact ND2-NH2 3.31Å; F144-R148 VanDerWaalsContact O-CB 3.25Å; F144-R148 WeakPolarHBondContact O-CB 3.4Å; F144-R148 PolarHBondContact O-N 2.88Å; D145-R148 PolarHBondContact O-N 3.39Å; D145-R148 IonicContact OD1-CZ 3.67Å; D145-R148 IonicContact OD1-NH1 2.92Å; D145-R148 PolarHBondContact OD1-NH1 2.87Å; D145-R148 IonicContact OD1-NH2 3.39Å; R148-G150 VanDerWaalsContact C-N 3.35Å; R148-G150 PolarHBondContact O-N 2.87Å; R148-V151 PolarHBondContact O-N 3.04Å; R148-I152 HydrophobicContact CG-CD1 3.96Å; R148-I152 VanDerWaalsContact O-CG1 3.22Å; R148-I152 WeakPolarHBondContact O-CG1 3.46Å; R148-I152 PolarHBondContact O-N 2.96Å
149V71.2Confident64.1Low79 Ų79103.2 Ų103.248%0.47952%0.518SS..Hα-helixtrans-62-43176.7172.90000111.1D145 T146 L147 V151 I152 M153D145-V149 VanDerWaalsContact O-CG2 3.31Å; D145-V149 WeakPolarHBondContact O-CG2 3.49Å; D145-V149 PolarHBondContact O-N 2.88Å; T146-V149 PolarHBondContact O-N 3.14Å; L147-V149 PolarHBondContact O-N 2.77Å; V149-V151 PolarHBondContact O-N 3.48Å; V149-I152 PolarHBondContact O-N 2.97Å; V149-M153 HydrophobicContact CG1-CE 4.34Å; V149-M153 HydrophobicContact CG1-SD 4.39Å; V149-M153 WeakPolarHBondContact O-CG 3.5Å; V149-M153 PolarHBondContact O-N 3.12Å
150G68.6Low64.6Low40 Ų40101.8 Ų101.841%0.41252%0.516SS..Hα-helixtrans-60.3-42.8175.500000113.2T146 L147 R148 M153 A154T146-G150 PolarHBondContact O-N 2.82Å; L147-G150 PolarHBondContact O-N 2.75Å; R148-G150 VanDerWaalsContact C-N 3.35Å; R148-G150 PolarHBondContact O-N 2.87Å; G150-M153 PolarHBondContact O-N 3.1Å; G150-A154 WeakPolarHBondContact O-CB 3.33Å; G150-A154 PolarHBondContact O-N 3.28Å
151V73.5Confident64.6Low83 Ų83102.5 Ų102.550%0.50352%0.52SS..Hα-helixtrans-66.7-40.1176.4171.90000111.5L147 R148 V149 A154 N155L147-V151 VanDerWaalsContact O-CG2 3.29Å; L147-V151 WeakPolarHBondContact O-CG2 3.35Å; L147-V151 PolarHBondContact O-N 2.96Å; R148-V151 PolarHBondContact O-N 3.04Å; V149-V151 PolarHBondContact O-N 3.48Å; V151-A154 PolarHBondContact O-N 3.39Å; V151-N155 WeakPolarHBondContact O-CB 3.46Å; V151-N155 PolarHBondContact O-N 2.95Å; V151-N155 PolarHBondContact O-ND2 3.47Å
152I72.6Confident64.7Low100 Ų100104.3 Ų104.351%0.51353%0.526SS..Hα-helixtrans-62.9-43.9175.7-69.7165.3000110.7R148 V149 N155 K156R148-I152 HydrophobicContact CG-CD1 3.96Å; R148-I152 VanDerWaalsContact O-CG1 3.22Å; R148-I152 WeakPolarHBondContact O-CG1 3.46Å; R148-I152 PolarHBondContact O-N 2.96Å; V149-I152 PolarHBondContact O-N 2.97Å; I152-N155 PolarHBondContact O-N 2.87Å; I152-K156 WeakPolarHBondContact O-CB 3.39Å; I152-K156 PolarHBondContact O-N 3.36Å
153M63.2Low64.8Low126 Ų126107.4 Ų107.462%0.62154%0.54SS*.Hα-helixtrans-64.2-45.5177.9-74.9-173.3165.100112V149 G150 N155 K156 E157V149-M153 HydrophobicContact CG1-CE 4.34Å; V149-M153 HydrophobicContact CG1-SD 4.39Å; V149-M153 WeakPolarHBondContact O-CG 3.5Å; V149-M153 PolarHBondContact O-N 3.12Å; G150-M153 PolarHBondContact O-N 3.1Å; M153-N155 VanDerWaalsContact C-N 3.34Å; M153-N155 PolarHBondContact O-N 3.1Å; M153-K156 PolarHBondContact O-N 3.27Å; M153-E157 PolarHBondContact O-N 2.8Å
154A65.2Low64.9Low44 Ų44107.4 Ų107.436%0.36454%0.537SS..Hα-helixtrans-64-37.6178.600000112.8G150 V151 E157 R158G150-A154 WeakPolarHBondContact O-CB 3.33Å; G150-A154 PolarHBondContact O-N 3.28Å; V151-A154 PolarHBondContact O-N 3.39Å; A154-E157 PolarHBondContact O-N 2.9Å; A154-R158 PolarHBondContact O-N 3.2Å
155N67.7Low65.4Low80 Ų80108.4 Ų108.443%0.42854%0.541SS..Hα-helixtrans-73.4-31.1176.4-73.9-20.3000112.5V151 I152 M153 R158 K159V151-N155 WeakPolarHBondContact O-CB 3.46Å; V151-N155 PolarHBondContact O-N 2.95Å; V151-N155 PolarHBondContact O-ND2 3.47Å; I152-N155 PolarHBondContact O-N 2.87Å; M153-N155 VanDerWaalsContact C-N 3.34Å; M153-N155 PolarHBondContact O-N 3.1Å; N155-R158 PolarHBondContact O-N 3.42Å; N155-K159 PolarHBondContact O-N 3.06Å
156K68.7Low65.6Low158 Ų158112.4 Ų112.469%0.68756%0.556SS**Hα-helixtrans-66.6-38173.1-174.4171180175.10111.7I152 M153 K159 K160I152-K156 WeakPolarHBondContact O-CB 3.39Å; I152-K156 PolarHBondContact O-N 3.36Å; M153-K156 PolarHBondContact O-N 3.27Å; K156-K159 PolarHBondContact O-N 3.45Å; K156-K160 WeakPolarHBondContact O-CB 3.23Å; K156-K160 PolarHBondContact O-N 2.84Å
157E59.8Low65.4Low147 Ų147112.5 Ų112.569%0.68755%0.553SS**Hα-helixtrans-65.4-39.9174-75.4-176.3162.500112.4M153 A154 K160 N161M153-E157 PolarHBondContact O-N 2.8Å; A154-E157 PolarHBondContact O-N 2.9Å; E157-K160 PolarHBondContact O-N 2.82Å; E157-N161 PolarHBondContact O-N 3.23Å
158R62.7Low64.8Low180 Ų180114.2 Ų114.268%0.67956%0.56SS**Hα-helixtrans-64.2-42.6174.8-71-179-173.7179.81.8112.6A154 N155 N161 E162A154-R158 PolarHBondContact O-N 3.2Å; N155-R158 PolarHBondContact O-N 3.42Å; R158-N161 PolarHBondContact O-N 3.11Å; R158-E162 PolarHBondContact O-N 2.61Å
159K60.3Low64.1Low152 Ų152114.7 Ų114.766%0.66157%0.568SS**Hα-helixtrans-66.4-35.1175.8-81.3-172.3172-176.20113.1N155 K156 E162 N163N155-K159 PolarHBondContact O-N 3.06Å; K156-K159 PolarHBondContact O-N 3.45Å; K159-E162 PolarHBondContact O-N 3.49Å; K159-N163 PolarHBondContact O-N 3Å
160K64.4Low63.4Low144 Ų144117.1 Ų117.163%0.62658%0.576SS**Hα-helixtrans-64.4-47174-170.7178.5177.6-175.50110.7K156 E157 E162 N163 D164K156-K160 WeakPolarHBondContact O-CB 3.23Å; K156-K160 PolarHBondContact O-N 2.84Å; E157-K160 PolarHBondContact O-N 2.82Å; K160-E162 VanDerWaalsContact C-N 3.29Å; K160-E162 PolarHBondContact O-N 2.91Å; K160-N163 PolarHBondContact O-N 3.27Å; K160-D164 WeakPolarHBondContact O-CB 3.42Å; K160-D164 PolarHBondContact O-N 3Å
161N55.8Low62.8Low103 Ų103121.1 Ų121.155%0.55159%0.585SS**Hα-helixtrans-65.3-28.9177.9-123.319.9000113.5E157 R158 K165E157-N161 PolarHBondContact O-N 3.23Å; R158-N161 PolarHBondContact O-N 3.11Å; N161-K165 WeakPolarHBondContact O-CG 3.34Å; N161-K165 PolarHBondContact O-N 3.3Å
162E63.7Low62Low118 Ų118123.3 Ų123.355%0.55159%0.591SS**Hα-helixtrans-74.3-40.5171.7-84.7-175.8145.600112.8R158 K159 K160 K165 K166R158-E162 PolarHBondContact O-N 2.61Å; K159-E162 PolarHBondContact O-N 3.49Å; K160-E162 VanDerWaalsContact C-N 3.29Å; K160-E162 PolarHBondContact O-N 2.91Å; E162-K165 PolarHBondContact O-N 3.04Å; E162-K166 WeakPolarHBondContact O-CG 3.42Å; E162-K166 PolarHBondContact O-N 3.29Å; E162-K166 VanDerWaalsContact O-N 3.09Å
163N60.9Low61.2Low109 Ų109124 Ų12458%0.58359%0.592SS**Hα-helixtrans-66.4-40.3175.9-99.316.5000111.7K159 K160 K165 K166 N167K159-N163 PolarHBondContact O-N 3Å; K160-N163 PolarHBondContact O-N 3.27Å; N163-K165 VanDerWaalsContact C-N 3.27Å; N163-K165 PolarHBondContact O-N 3.02Å; N163-K166 PolarHBondContact O-N 2.79Å; N163-N167 WeakPolarHBondContact O-CB 3.39Å; N163-N167 PolarHBondContact O-N 2.79Å
164D61.4Low60.8Low86 Ų86124.9 Ų124.946%0.4660%0.595SS.*Hα-helixtrans-63.2-35.3178.3-64.8-19.5000111.2K160 M168K160-D164 WeakPolarHBondContact O-CB 3.42Å; K160-D164 PolarHBondContact O-N 3Å; D164-M168 PolarHBondContact O-N 3.31Å
165K66.6Low60.1Low150 Ų150130.1 Ų130.165%0.65261%0.612SS**Hα-helixtrans-71.1-39.1174.2-74.9176.7-177.5-177.80113.4N161 E162 N163 M168 M169N161-K165 WeakPolarHBondContact O-CG 3.34Å; N161-K165 PolarHBondContact O-N 3.3Å; E162-K165 PolarHBondContact O-N 3.04Å; N163-K165 VanDerWaalsContact C-N 3.27Å; N163-K165 PolarHBondContact O-N 3.02Å; K165-M168 PolarHBondContact O-N 2.89Å; K165-M169 PolarHBondContact O-N 3.01Å
166K66.4Low59.2Low144 Ų144133.4 Ų133.463%0.62663%0.625SS**Hα-helixtrans-67-38.4175.8-74.1179.6179.5179.10111.7E162 N163 M168 M169 M170E162-K166 WeakPolarHBondContact O-CG 3.42Å; E162-K166 PolarHBondContact O-N 3.29Å; E162-K166 VanDerWaalsContact O-N 3.09Å; N163-K166 PolarHBondContact O-N 2.79Å; K166-M168 VanDerWaalsContact C-N 3.34Å; K166-M169 PolarHBondContact O-N 3.05Å; K166-M170 PolarHBondContact O-N 2.87Å; K166-M170 VanDerWaalsContact O-N 3.11Å
167N61.5Low58.3Low102 Ų102134.1 Ų134.155%0.54563%0.631SS.*Hα-helixtrans-67-35.1177.6-137.161.8000112.3N163 M171N163-N167 WeakPolarHBondContact O-CB 3.39Å; N163-N167 PolarHBondContact O-N 2.79Å; N167-M171 PolarHBondContact O-N 3.42Å
168M55.6Low57.4Low143 Ų143135.9 Ų135.970%0.70464%0.639SS**Hα-helixtrans-68-37174.2-165.796.3148.100112.5D164 K165 K166 M172D164-M168 PolarHBondContact O-N 3.31Å; K165-M168 PolarHBondContact O-N 2.89Å; K166-M168 VanDerWaalsContact C-N 3.34Å; M168-M172 PolarHBondContact O-N 3.4Å
169M56.8Low56.5Low121 Ų121134.2 Ų134.260%0.59664%0.643SS**Hα-helixtrans-70.8-37.1179.1-167.6167.8-177.700111.9K165 K166 M172 E173K165-M169 PolarHBondContact O-N 3.01Å; K166-M169 PolarHBondContact O-N 3.05Å; M169-M172 PolarHBondContact O-N 3.22Å; M169-E173 PolarHBondContact O-N 3.12Å; M169-E173 VanDerWaalsContact O-N 3.13Å
170M56.3Low55.6Low130 Ų130135 Ų13564%0.6465%0.649SS**Hα-helixtrans-65.9-37.5176.8-131.9-176.5-168.200112.9K166 M172 E174K166-M170 PolarHBondContact O-N 2.87Å; K166-M170 VanDerWaalsContact O-N 3.11Å; M170-M172 VanDerWaalsContact C-N 3.3Å; M170-M172 PolarHBondContact O-N 3.18Å; M170-E174 PolarHBondContact O-N 3.04Å; M170-E174 VanDerWaalsContact O-N 3.12Å
171M56.1Low54.4Low123 Ų123137.2 Ų137.261%0.60666%0.662SS**Hα-helixtrans-67.5-29.7174.8-78.2-169.5-170.300113.1N167 E175N167-M171 PolarHBondContact O-N 3.42Å; M171-E175 PolarHBondContact O-N 2.76Å
172M56.6Low53.5Low129 Ų129138.1 Ų138.164%0.63567%0.673SS**Hα-helixtrans-79.2-33.9-179.8-135.5175.4-159.400111.7M168 M169 M170 E176M168-M172 PolarHBondContact O-N 3.4Å; M169-M172 PolarHBondContact O-N 3.22Å; M170-M172 VanDerWaalsContact C-N 3.3Å; M170-M172 PolarHBondContact O-N 3.18Å; M172-E176 PolarHBondContact O-N 2.92Å
173E55.8Low52.5Low114 Ų114142.2 Ų142.253%0.53369%0.689SS.*Hα-helixtrans-71.4-33.4172.5-80175.6159.200112.1M169 E176 E177M169-E173 PolarHBondContact O-N 3.12Å; M169-E173 VanDerWaalsContact O-N 3.13Å; E173-E176 PolarHBondContact O-N 3.38Å; E173-E177 PolarHBondContact O-N 3.04Å
174E54Low50.9Low145 Ų145145.7 Ų145.768%0.67870%0.702SS**Hα-helixtrans-69.1-35172.1-92.1-179155.700112.9M170M170-E174 PolarHBondContact O-N 3.04Å; M170-E174 VanDerWaalsContact O-N 3.12Å
175E51.8Low49.2Very low155 Ų155148 Ų14872%0.72472%0.715SS**Hα-helixtrans-72.9-25.8175.3-91.6-173.8152.700113.5M171M171-E175 PolarHBondContact O-N 2.76Å
176E48.6Very low47.4Very low148 Ų148149 Ų14969%0.69272%0.721SS**Hα-helixtrans-81.7-23.5178.9-80.1-172.716400113.6M172 E173M172-E176 PolarHBondContact O-N 2.92Å; E173-E176 PolarHBondContact O-N 3.38Å
177E48.2Very low45.5Very low174 Ų174150.7 Ų150.781%0.81373%0.732SS**Hα-helixtrans-82.2-20.4177.1-75.6-166.1156.300113.9E173E173-E177 PolarHBondContact O-N 3.04Å
178E42.7Very low43.7Very low184 Ų184149.9 Ų149.986%0.8675%0.747SS**SBendtrans-85-8-178.6-125.1-175.2173.300114.3
179N42.4Very low42.3Very low144 Ų144147 Ų14777%0.7776%0.755SS**  trans-110.246.6-172.7-157.418000114.4
180Q42.6Very low40.9Very low169 Ų169151.2 Ų151.279%0.7977%0.773SS**  trans-134.692.9167.2-68.8-177.527.700111.7
181Q37.6Very low39.5Very low191 Ų191148.8 Ų148.889%0.89378%0.781SS**  171.7159.5129.8-96.9-172.10.300113.5
182P37.6Very low38.2Very low121 Ų121152.5 Ų152.579%0.78679%0.794SS**  trans-105.1165-136.824.8-6.1000115.4
183K42.1Very low37.7Very low204 Ų204150.6 Ų150.689%0.88779%0.791SS**  trans-78.8138176.5-66.5-178.7174.8-179.30112.4
184E27.1Very low36.4Very low182 Ų182153 Ų15385%0.8580%0.802SS**  trans-141.3122.5146.1-74-166.9160.700112.1
185N27.4Very low35.3Very low136 Ų136150.7 Ų150.773%0.72780%0.795SS**  trans52118.8137.1-60.8-8.4000124.1
186E27.7Very low34.4Very low169 Ų169150.5 Ų150.579%0.7979%0.791SS**  76.1139.5121.4-66.1-162.7151.300123.7
187E26.1Very low33.4Very low181 Ų181151.1 Ų151.185%0.84679%0.792SS**  trans70.9113.4154.1-75.4-172.6147.600121.7
188G25Very low32.5Very low85 Ų85148.6 Ų148.688%0.87678%0.78SS**  82132.3113.600000118.6
189G26.7Very low31.8Very low83 Ų83148.4 Ų148.486%0.85678%0.777SS**  trans140.9119.2153.500000115.8
190E26.3Very low31Very low208 Ų208145.4 Ų145.497%0.97278%0.779SS**  trans-64.7159177.1-60.8167121.500114.2
191G28Very low30.3Very low80 Ų80140.9 Ų140.983%0.82578%0.778SS**  trans165.893164.200000115.3
192K27.7Very low30Very low200 Ų200139.4 Ų139.487%0.8778%0.776SS**  trans-91.4178153.5-128.8-165.6171.5179.40107.4
193P46.7Very low29.7Very low89 Ų89143.4 Ų143.458%0.57878%0.781SS**  cis-134.9-161.1-19.422.63.9000111.7
194E28.3Very low29.4Very low164 Ų164137.3 Ų137.377%0.76677%0.769SS**  trans93.3135.1153.8-55.3-172.5171.400116
195D30.7Very low29.6Very low98 Ų98135.8 Ų135.852%0.52477%0.767SS.*  cis-166.2157.513.5-132.1-25.7000112.9
196K32.8Very low30Very low150 Ų150135.6 Ų135.665%0.65277%0.766SS**  trans64.2111.1142.7-81.6154.8-1641550120.4
197K28.5Very low30.6Very low161 Ų161135 Ų13570%0.776%0.761SS**  86.1143.984.9-93-163.1168.2-1470110
198E27.6Very low31.2Very low121 Ų121131.5 Ų131.557%0.56576%0.762SS**  cis-177.2144.66.4-120.7170.7-169.400101.9
199K29.1Very low32Very low181 Ų181134.9 Ų134.979%0.78775%0.753SS**  168.1135.869.3-112.3159.8-177.8-178.50103.2
200G25.3Very low32.5Very low80 Ų80134.5 Ų134.583%0.82575%0.75SS**  74.3121.972.200000109.6
201G27.7Very low33.1Very low75 Ų75130.4 Ų130.477%0.77374%0.739SS**  cis178.1-177.69.100000110
202D32Very low33.9Very low159 Ų159131.3 Ų131.385%0.8572%0.72SS**  trans-28142.9174.8-77-86.2000118.7
203K31.2Very low34.9Very low205 Ų205125.7 Ų125.789%0.89170%0.703SS**  -161.2137.3117.7-105.8167.3-173.7178.30111.8
204A34.9Very low35.4Very low76 Ų76125.2 Ų125.263%0.62871%0.714SS**  trans-55.9149.3168.300000111.2
205D32.6Very low37.7Very low151 Ų151120.3 Ų120.381%0.80770%0.698SS**  168.3146.6114.9-81.7-41.5000111.9
206D36Very low40.4Very low131 Ų131116.6 Ų116.670%0.70168%0.677SS**  trans73.991.9153.5-84.7-58.1000121.3
207K40.3Very low43.2Very low158 Ų158110.9 Ų110.969%0.68765%0.652SS**  60.373.5107.1-150.4-177.9-153.7161.20114.7K209K207-K209 HydrophobicContact CD-CG 4.47Å; K207-K209 HydrophobicContact CG-CG 4.21Å; K207-K209 PolarHBondContact O-N 3.2Å
208A38.2Very low46.3Very low106 Ų106104 Ų10488%0.87662%0.622SS**  trans-64.583.3152.100000109G210A208-G210 PolarHBondContact O-N 2.89Å
209K40.7Very low49.4Very low156 Ų15698.3 Ų98.368%0.67860%0.595SS**  trans-55.9105.6162-82.7177.6175.4173.10107.2K207 T211K207-K209 HydrophobicContact CD-CG 4.47Å; K207-K209 HydrophobicContact CG-CG 4.21Å; K207-K209 PolarHBondContact O-N 3.2Å; K209-T211 VanDerWaalsContact C-N 3.27Å; K209-T211 PolarHBondContact O-N 3.24Å
210G39Very low52.5Low76 Ų7689.7 Ų89.778%0.78456%0.557SS**  trans-53.697.7157.700000107.9A208 F212A208-G210 PolarHBondContact O-N 2.89Å; G210-F212 VanDerWaalsContact C-N 3.3Å; G210-F212 PolarHBondContact O-N 3.03Å
211T38.6Very low55.6Low121 Ų12186.4 Ų86.474%0.74252%0.521SS*.  trans-70.991178.326.20000107.1K209 T213K209-T211 VanDerWaalsContact C-N 3.27Å; K209-T211 PolarHBondContact O-N 3.24Å; T211-T213 PolarHBondContact O-N 3.02Å
212F44.3Very low58.6Low99 Ų9986.2 Ų86.243%0.43450%0.497SS..  trans-66.690.5168.6-153.1-107000107.7G210 G214 H216 Y218G210-F212 VanDerWaalsContact C-N 3.3Å; G210-F212 PolarHBondContact O-N 3.03Å; F212-G214 PolarHBondContact O-N 3.13Å; F212-G214 VanDerWaalsContact O-N 3.12Å; F212-H216 AromaticContact CD2-NE2 3.7Å; F212-H216 WeakPolarHBondContact CE1-O 3.28Å; F212-H216 AromaticContact CE2-CD2 3.4Å; F212-H216 VanDerWaalsContact CE2-CD2 3.4Å; F212-H216 WeakPolarHBondContact CE2-CD2 3.45Å; F212-H216 AromaticContact CE2-CE1 3.97Å; F212-H216 AromaticContact CE2-NE2 3.08Å; F212-H216 WeakPolarHBondContact CE2-NE2 3.14Å; F212-H216 AromaticContact CZ-CD2 3.24Å; F212-H216 WeakPolarHBondContact CZ-CD2 3.47Å; F212-H216 AromaticContact CZ-NE2 3.46Å; F212-H216 WeakPolarHBondContact CZ-NE2 3.12Å; F212-Y218 HydrophobicContact CE2-CD2 4.13Å; F212-Y218 AromaticContact CE2-CE2 3.38Å; F212-Y218 HydrophobicContact CE2-CE2 3.38Å; F212-Y218 AromaticContact CZ-CD2 3.8Å; F212-Y218 HydrophobicContact CZ-CD2 3.8Å; F212-Y218 AromaticContact CZ-CE2 3.51Å; F212-Y218 HydrophobicContact CZ-CE2 3.51Å
213T48.7Very low61.4Low82 Ų8283.8 Ų83.850%0.50348%0.476SS..  trans-54122.1168.759.70000106.5T211 S215 H216T211-T213 PolarHBondContact O-N 3.02Å; T213-S215 PolarHBondContact O-N 3.46Å; T213-S215 PolarHBondContact O-OG 3.15Å; T213-S215 PolarHBondContact OG1-OG 3.16Å; T213-H216 PolarHBondContact O-ND1 3.48Å
214G56.7Low64.3Low79 Ų7974.9 Ų74.981%0.81444%0.437SS*.THydrogen-bonded Turntrans-6321.6-179.300000114.9F212F212-G214 PolarHBondContact O-N 3.13Å; F212-G214 VanDerWaalsContact O-N 3.12Å
215S76.7Confident67Low61 Ų6178.4 Ų78.443%0.42744%0.439SS..THydrogen-bonded Turntrans-84-17178.664.50000113.3T213 R271 A272T213-S215 PolarHBondContact O-N 3.46Å; T213-S215 PolarHBondContact O-OG 3.15Å; T213-S215 PolarHBondContact OG1-OG 3.16Å; S215-R271 WeakPolarHBondContact O-CA 3.22Å; S215-A272 PolarHBondContact O-N 3.24Å
216H88.1Confident69.8Low20 Ų2073 Ų739%0.09342%0.415CS..EExtended strand (participates in β ladder)trans-141.1161.2-176.758.7-80.5000112.4F212 T213 K269 V270F212-H216 AromaticContact CD2-NE2 3.7Å; F212-H216 WeakPolarHBondContact CE1-O 3.28Å; F212-H216 AromaticContact CE2-CD2 3.4Å; F212-H216 VanDerWaalsContact CE2-CD2 3.4Å; F212-H216 WeakPolarHBondContact CE2-CD2 3.45Å; F212-H216 AromaticContact CE2-CE1 3.97Å; F212-H216 AromaticContact CE2-NE2 3.08Å; F212-H216 WeakPolarHBondContact CE2-NE2 3.14Å; F212-H216 AromaticContact CZ-CD2 3.24Å; F212-H216 WeakPolarHBondContact CZ-CD2 3.47Å; F212-H216 AromaticContact CZ-NE2 3.46Å; F212-H216 WeakPolarHBondContact CZ-NE2 3.12Å; T213-H216 PolarHBondContact O-ND1 3.48Å; H216-K269 HydrophobicContact CB-CG 4.19Å; H216-K269 WeakPolarHBondContact CD2-CE 3.48Å; H216-K269 PolarHBondContact CD2-NZ 3.46Å; H216-K269 PolarHBondContact CE1-NZ 3.39Å; H216-K269 VanDerWaalsContact CG-CE 3.47Å; H216-K269 WeakPolarHBondContact NE2-CE 3.36Å; H216-K269 PolarHBondContact NE2-NZ 2.92Å; H216-V270 CarbonylContact C-O 3.51Å; H216-V270 WeakPolarHBondContact CA-O 3.43Å; H216-V270 VanDerWaalsContact CB-O 3.31Å; H216-V270 WeakPolarHBondContact CB-O 3.48Å
217Y91.1Very high72.3Confident31 Ų3174 Ų7412%0.12242%0.418CS..EExtended strand (participates in β ladder)trans-143.3164.1173.261.3-82000109.3L219 R239 V270 F332Y217-L219 HydrophobicContact CD2-CD2 3.84Å; Y217-L219 HydrophobicContact CD2-CG 3.9Å; Y217-L219 HydrophobicContact CE2-CD1 3.82Å; Y217-L219 HydrophobicContact CE2-CD2 3.69Å; Y217-L219 HydrophobicContact CE2-CG 3.6Å; Y217-R239 HydrophobicContact CD2-CG 4.26Å; Y217-V270 HydrophobicContact CD1-CB 4.35Å; Y217-V270 HydrophobicContact CD2-CB 4.33Å; Y217-V270 HydrophobicContact CE1-CB 3.96Å; Y217-V270 HydrophobicContact CE1-CG1 3.81Å; Y217-V270 HydrophobicContact CE2-CB 3.96Å; Y217-V270 HydrophobicContact CE2-CG1 4.21Å; Y217-V270 HydrophobicContact CE2-CG2 4.37Å; Y217-V270 PolarHBondContact N-O 3.39Å; Y217-V270 PolarHBondContact O-N 2.75Å; Y217-V270 WeakPolarHBondContact OH-CG1 3.49Å; Y217-F332 HydrophobicContact CE2-CD2 4.11Å; Y217-F332 AromaticContact CE2-CE2 3.78Å; Y217-F332 HydrophobicContact CE2-CE2 3.78Å; Y217-F332 HydrophobicContact CE2-CZ 4.39Å
218Y93.1Very high74.7Confident17 Ų1772.8 Ų72.87%0.06742%0.416CS..EExtended strand (participates in β ladder)trans-110139.7178.4-63.3-83.2000111.6F212 R239 I240 V242 W251 L267 I268 K269F212-Y218 HydrophobicContact CE2-CD2 4.13Å; F212-Y218 AromaticContact CE2-CE2 3.38Å; F212-Y218 HydrophobicContact CE2-CE2 3.38Å; F212-Y218 AromaticContact CZ-CD2 3.8Å; F212-Y218 HydrophobicContact CZ-CD2 3.8Å; F212-Y218 AromaticContact CZ-CE2 3.51Å; F212-Y218 HydrophobicContact CZ-CE2 3.51Å; Y218-R239 WeakPolarHBondContact O-CA 3.22Å; Y218-I240 PolarHBondContact O-N 3.36Å; Y218-V242 HydrophobicContact CD2-CB 3.99Å; Y218-V242 HydrophobicContact CD2-CG2 3.3Å; Y218-V242 HydrophobicContact CE2-CB 3.9Å; Y218-V242 HydrophobicContact CE2-CG2 3.54Å; Y218-V242 HydrophobicContact CG-CG2 3.85Å; Y218-W251 HydrophobicContact CD1-CZ3 4.39Å; Y218-W251 HydrophobicContact CE1-CH2 4.4Å; Y218-W251 AromaticContact CE1-CZ3 3.95Å; Y218-W251 HydrophobicContact CE1-CZ3 3.95Å; Y218-L267 HydrophobicContact CD1-CB 4.33Å; Y218-L267 HydrophobicContact CG-CD1 4.34Å; Y218-I268 WeakPolarHBondContact CA-O 3.32Å; Y218-K269 HydrophobicContact CD1-CB 4.02Å; Y218-K269 HydrophobicContact CE1-CB 3.66Å; Y218-K269 HydrophobicContact CE1-CD 4.22Å; Y218-K269 HydrophobicContact CE1-CG 3.96Å
219L93.8Very high77.1Confident0 Ų077.9 Ų77.90%042%0.418CS..EExtended strand (participates in β ladder)trans-122.1143.7174.3-65.6-175.5000111.5Y217 L221 D238 R239 L267 I268 V270 V276 F332Y217-L219 HydrophobicContact CD2-CD2 3.84Å; Y217-L219 HydrophobicContact CD2-CG 3.9Å; Y217-L219 HydrophobicContact CE2-CD1 3.82Å; Y217-L219 HydrophobicContact CE2-CD2 3.69Å; Y217-L219 HydrophobicContact CE2-CG 3.6Å; L219-L221 PolarHBondContact O-N 3.09Å; L219-D238 CarbonylContact C-O 3.47Å; L219-D238 WeakPolarHBondContact CA-O 3.28Å; L219-R239 HydrophobicContact CD2-CB 3.88Å; L219-R239 HydrophobicContact CD2-CG 4.29Å; L219-L267 CarbonylContact O-C 3.48Å; L219-L267 VanDerWaalsContact O-CA 3.25Å; L219-L267 WeakPolarHBondContact O-CA 3.29Å; L219-I268 HydrophobicContact CB-CG2 4.01Å; L219-I268 PolarHBondContact N-O 2.92Å; L219-I268 PolarHBondContact O-N 3.3Å; L219-V270 HydrophobicContact CD1-CG2 4.06Å; L219-V270 HydrophobicContact CG-CG2 4.14Å; L219-V276 HydrophobicContact CD1-CB 4.01Å; L219-V276 HydrophobicContact CD1-CG1 3.56Å; L219-V276 HydrophobicContact CD1-CG2 3.68Å; L219-F332 HydrophobicContact CD1-CE2 3.89Å; L219-F332 HydrophobicContact CD1-CZ 3.57Å; L219-F332 HydrophobicContact CD2-CE1 3.74Å; L219-F332 HydrophobicContact CD2-CE2 4.02Å; L219-F332 HydrophobicContact CD2-CZ 3.32Å; L219-F332 HydrophobicContact CG-CZ 4.08Å
220A93.8Very high79.5Confident0 Ų075.4 Ų75.40%041%0.412CS..EExtended strand (participates in β ladder)trans-70.3125.8171.300000111.7F234 H235 P236 G237 D238 I240 L267A220-F234 HydrophobicContact CB-CD2 3.4Å; A220-F234 HydrophobicContact CB-CE2 3.68Å; A220-F234 HydrophobicContact CB-CG 4.33Å; A220-H235 VanDerWaalsContact CB-O 3.22Å; A220-H235 WeakPolarHBondContact CB-O 3.3Å; A220-P236 CarbonylContact O-C 3.48Å; A220-P236 WeakPolarHBondContact O-CA 3.34Å; A220-G237 PolarHBondContact O-N 2.98Å; A220-D238 HydrophobicContact CB-CB 4.46Å; A220-D238 PolarHBondContact N-O 2.92Å; A220-I240 HydrophobicContact CB-CD1 4.11Å; A220-L267 HydrophobicContact CB-CD2 4.15Å
221L90.9Very high82.1Confident12 Ų1272.7 Ų72.76%0.06338%0.38CS..SBendtrans-85.5-29.8173-69.7177.2000112.6L219 Y266 I268 I299L219-L221 PolarHBondContact O-N 3.09Å; L221-Y266 WeakPolarHBondContact CB-O 3.39Å; L221-Y266 PolarHBondContact N-O 3.38Å; L221-I268 HydrophobicContact CD1-CB 4.01Å; L221-I268 HydrophobicContact CD2-CB 3.84Å; L221-I268 HydrophobicContact CD2-CD1 4.26Å; L221-I268 HydrophobicContact CD2-CG2 3.58Å; L221-I268 HydrophobicContact CG-CB 3.87Å; L221-I268 HydrophobicContact CG-CG2 3.94Å; L221-I299 HydrophobicContact CD2-CB 4.19Å
222Y89.2Confident84.7Confident70 Ų7067.1 Ų67.128%0.27535%0.345SS..SBendtrans-133.3157.8-173.8-52.6-62.4000110.4F224 F234 Y266Y222-F224 PolarHBondContact O-N 3.32Å; Y222-F234 WeakPolarHBondContact O-CE2 3.49Å; Y222-Y266 HydrophobicContact CD2-CD1 4.33Å; Y222-Y266 HydrophobicContact CD2-CD2 4.46Å; Y222-Y266 HydrophobicContact CD2-CG 4.27Å
223R90.9Very high87Confident108 Ų10864.6 Ų64.641%0.40834%0.336SS..  trans-70.6127.9169.7177143.2-17760.4-0.8108.9D233 F234 H235 P236R223-D233 IonicContact CZ-OD1 3.04Å; R223-D233 IonicContact CZ-OD2 3.97Å; R223-D233 IonicContact NH1-OD1 2.69Å; R223-D233 PolarHBondContact NH1-OD1 2.89Å; R223-D233 IonicContact NH1-OD2 3.09Å; R223-D233 PolarHBondContact NH1-OD2 2.76Å; R223-D233 IonicContact NH2-OD1 2.96Å; R223-D233 PolarHBondContact NH2-OD1 2.79Å; R223-D233 IonicContact NH2-OD2 3.94Å; R223-D233 PolarHBondContact NH2-OD2 2.91Å; R223-D233 VanDerWaalsContact NH2-OD2 3.16Å; R223-F234 WeakPolarHBondContact CA-O 3.29Å; R223-F234 PolarHBondContact NH1-O 3.09Å; R223-H235 PolarHBondContact NE-NE2 3.27Å; R223-H235 PolarHBondContact NH1-CE1 2.82Å; R223-H235 PolarHBondContact NH1-ND1 2.69Å; R223-H235 PolarHBondContact NH1-NE2 3.38Å; R223-H235 VanDerWaalsContact NH1-NE2 3.15Å; R223-P236 HydrophobicContact CB-CG 4.45Å
224F92.5Very high89.2Confident18 Ų1860.7 Ų60.78%0.07931%0.312CS..BIsolated β-bridgetrans-115.9119.5167.4-176.3-122.1000107.8Y222 D231 L232 D233 F234 W250 Y261 F262 P263 Y266Y222-F224 PolarHBondContact O-N 3.32Å; F224-D231 HydrophobicContact CE1-CB 4.02Å; F224-D231 HydrophobicContact CZ-CB 4.32Å; F224-L232 WeakPolarHBondContact CD1-O 3.2Å; F224-D233 WeakPolarHBondContact O-CA 3.36Å; F224-F234 HydrophobicContact CB-CD1 4.22Å; F224-F234 HydrophobicContact CB-CD2 3.97Å; F224-F234 HydrophobicContact CB-CE1 3.84Å; F224-F234 HydrophobicContact CB-CE2 3.55Å; F224-F234 HydrophobicContact CB-CG 4.29Å; F224-F234 HydrophobicContact CB-CZ 3.48Å; F224-F234 VanDerWaalsContact CB-CZ 3.48Å; F224-F234 HydrophobicContact CD1-CD1 4.35Å; F224-F234 AromaticContact CD1-CE1 3.79Å; F224-F234 HydrophobicContact CD1-CE1 3.79Å; F224-F234 HydrophobicContact CD1-CZ 4.12Å; F224-F234 HydrophobicContact CG-CE1 4.24Å; F224-F234 HydrophobicContact CG-CZ 4.13Å; F224-F234 PolarHBondContact N-O 2.96Å; F224-F234 PolarHBondContact O-N 3.07Å; F224-W250 HydrophobicContact CZ-CH2 4.17Å; F224-W250 AromaticContact CZ-CZ3 3.95Å; F224-W250 HydrophobicContact CZ-CZ3 3.95Å; F224-Y261 WeakPolarHBondContact CE1-O 3.41Å; F224-F262 HydrophobicContact CD1-CB 3.75Å; F224-F262 HydrophobicContact CE1-CB 3.84Å; F224-P263 HydrophobicContact CE2-CG 4.25Å; F224-Y266 HydrophobicContact CB-CD1 3.88Å; F224-Y266 HydrophobicContact CB-CE1 4.07Å; F224-Y266 HydrophobicContact CD2-CE1 4.21Å
225K91.7Very high90.9Very high151 Ų15161.3 Ų61.366%0.65729%0.294SS*.  trans-98.3121178.1-173.8-177.8178.7-175.50107.6I227 D233K225-I227 PolarHBondContact O-N 3.15Å; K225-D233 VanDerWaalsContact CA-OD2 3.32Å; K225-D233 WeakPolarHBondContact CA-OD2 3.38Å
226A90.9Very high91.6Very high37 Ų3760.2 Ų60.231%0.30629%0.285SS..  trans-56.6128.3178.100000110.4D231 D233A226-D231 HydrophobicContact CB-CB 3.66Å; A226-D233 HydrophobicContact CB-CB 3.99Å
227I89.1Confident91.7Very high151 Ų15159.8 Ų59.877%0.77429%0.286SS*.  trans-103.9-46.8176.3-59.4177000108.4K225 D231K225-I227 PolarHBondContact O-N 3.15Å; I227-D231 PolarHBondContact N-OD2 3.11Å
228E90.6Very high91.8Very high134 Ų13460.5 Ų60.563%0.62629%0.292SS*.SBendtrans-92.4164175.9-59.9-171177.400111.6D230 D231E228-D230 PolarHBondContact O-N 3.43Å; E228-D231 PolarHBondContact N-OD2 2.87Å; E228-D231 PolarHBondContact O-N 2.76Å
229K88.2Confident91.8Very high212 Ų21266.2 Ų66.292%0.92231%0.313SS*.THydrogen-bonded Turntrans-66.7-26.5179-66-178.8-177.9178.30112.5
230D91.8Very high91.8Very high105 Ų10566.3 Ų66.356%0.56131%0.314SS*.THydrogen-bonded Turntrans-94.52.2-178.6-59.7-36.4000112.5E228 G260 Y261E228-D230 PolarHBondContact O-N 3.43Å; D230-G260 CarbonylContact O-C 3.59Å; D230-G260 WeakPolarHBondContact O-CA 3.31Å; D230-Y261 HydrophobicContact CB-CD2 4.18Å; D230-Y261 HydrophobicContact CB-CE2 4.5Å; D230-Y261 PolarHBondContact O-N 3.32Å
231D93.2Very high91.8Very high19 Ų1971.2 Ų71.210%0.10234%0.339CS..BIsolated β-bridgetrans-80.7145.5175.3-75.2-24000111.8F224 A226 I227 E228F224-D231 HydrophobicContact CE1-CB 4.02Å; F224-D231 HydrophobicContact CZ-CB 4.32Å; A226-D231 HydrophobicContact CB-CB 3.66Å; I227-D231 PolarHBondContact N-OD2 3.11Å; E228-D231 PolarHBondContact N-OD2 2.87Å; E228-D231 PolarHBondContact O-N 2.76Å
232L93.3Very high91.9Very high3 Ų371.6 Ų71.62%0.01634%0.342CS..  trans-94.2109.5176-172.168000111.6F224 F234 I240 M255 K258 Y261 F262F224-L232 WeakPolarHBondContact CD1-O 3.2Å; L232-F234 HydrophobicContact CB-CD1 4.43Å; L232-F234 HydrophobicContact CD2-CD1 4.23Å; L232-F234 HydrophobicContact CG-CD1 4.16Å; L232-F234 WeakPolarHBondContact O-CD1 3.47Å; L232-I240 HydrophobicContact CD2-CG2 4.25Å; L232-M255 HydrophobicContact CD1-CB 4.42Å; L232-M255 HydrophobicContact CD2-CB 4.4Å; L232-K258 HydrophobicContact CD1-CB 3.78Å; L232-Y261 PolarHBondContact N-O 2.96Å; L232-F262 HydrophobicContact CB-CD1 4.08Å; L232-F262 HydrophobicContact CD2-CD1 3.83Å; L232-F262 HydrophobicContact CD2-CE1 3.88Å
233D93.4Very high92.1Very high47 Ų4772.4 Ų72.425%0.25135%0.351SS..  trans-72.5133172.4-173.7-79.5000111.8R223 F224 K225 A226 H235R223-D233 IonicContact CZ-OD1 3.04Å; R223-D233 IonicContact CZ-OD2 3.97Å; R223-D233 IonicContact NH1-OD1 2.69Å; R223-D233 PolarHBondContact NH1-OD1 2.89Å; R223-D233 IonicContact NH1-OD2 3.09Å; R223-D233 PolarHBondContact NH1-OD2 2.76Å; R223-D233 IonicContact NH2-OD1 2.96Å; R223-D233 PolarHBondContact NH2-OD1 2.79Å; R223-D233 IonicContact NH2-OD2 3.94Å; R223-D233 PolarHBondContact NH2-OD2 2.91Å; R223-D233 VanDerWaalsContact NH2-OD2 3.16Å; F224-D233 WeakPolarHBondContact O-CA 3.36Å; K225-D233 VanDerWaalsContact CA-OD2 3.32Å; K225-D233 WeakPolarHBondContact CA-OD2 3.38Å; A226-D233 HydrophobicContact CB-CB 3.99Å; D233-H235 IonicContact OD1-CE1 3.44Å
234F93.9Very high92.1Very high0 Ų070.5 Ų70.50%035%0.348CS..BIsolated β-bridgetrans-153.9162.3175.555.1-104.1000114.7A220 Y222 R223 F224 L232 D238 I240 M255 F262 Y266 L267A220-F234 HydrophobicContact CB-CD2 3.4Å; A220-F234 HydrophobicContact CB-CE2 3.68Å; A220-F234 HydrophobicContact CB-CG 4.33Å; Y222-F234 WeakPolarHBondContact O-CE2 3.49Å; R223-F234 WeakPolarHBondContact CA-O 3.29Å; R223-F234 PolarHBondContact NH1-O 3.09Å; F224-F234 HydrophobicContact CB-CD1 4.22Å; F224-F234 HydrophobicContact CB-CD2 3.97Å; F224-F234 HydrophobicContact CB-CE1 3.84Å; F224-F234 HydrophobicContact CB-CE2 3.55Å; F224-F234 HydrophobicContact CB-CG 4.29Å; F224-F234 HydrophobicContact CB-CZ 3.48Å; F224-F234 VanDerWaalsContact CB-CZ 3.48Å; F224-F234 HydrophobicContact CD1-CD1 4.35Å; F224-F234 AromaticContact CD1-CE1 3.79Å; F224-F234 HydrophobicContact CD1-CE1 3.79Å; F224-F234 HydrophobicContact CD1-CZ 4.12Å; F224-F234 HydrophobicContact CG-CE1 4.24Å; F224-F234 HydrophobicContact CG-CZ 4.13Å; F224-F234 PolarHBondContact N-O 2.96Å; F224-F234 PolarHBondContact O-N 3.07Å; L232-F234 HydrophobicContact CB-CD1 4.43Å; L232-F234 HydrophobicContact CD2-CD1 4.23Å; L232-F234 HydrophobicContact CG-CD1 4.16Å; L232-F234 WeakPolarHBondContact O-CD1 3.47Å; F234-D238 HydrophobicContact CB-CB 4.4Å; F234-I240 HydrophobicContact CB-CD1 4.12Å; F234-I240 HydrophobicContact CD1-CD1 3.54Å; F234-I240 HydrophobicContact CD2-CD1 3.95Å; F234-I240 HydrophobicContact CE1-CD1 3.76Å; F234-I240 HydrophobicContact CE2-CD1 4.15Å; F234-I240 HydrophobicContact CG-CD1 3.63Å; F234-I240 HydrophobicContact CZ-CD1 4.06Å; F234-M255 HydrophobicContact CB-CE 3.13Å; F234-M255 HydrophobicContact CG-CE 4.36Å; F234-F262 HydrophobicContact CE1-CB 3.47Å; F234-F262 VanDerWaalsContact CE1-CB 3.47Å; F234-F262 AromaticContact CE1-CD1 3.92Å; F234-F262 HydrophobicContact CE1-CD1 3.92Å; F234-F262 HydrophobicContact CE1-CD2 4.25Å; F234-F262 AromaticContact CE1-CG 3.61Å; F234-F262 HydrophobicContact CE1-CG 3.61Å; F234-F262 HydrophobicContact CZ-CB 3.85Å; F234-F262 HydrophobicContact CZ-CD2 4.28Å; F234-F262 HydrophobicContact CZ-CG 4.04Å; F234-Y266 HydrophobicContact CE2-CD1 4.21Å; F234-Y266 HydrophobicContact CZ-CD1 4.42Å; F234-L267 HydrophobicContact CE2-CD2 4.31Å; F234-L267 HydrophobicContact CZ-CD2 4.19Å
235H92.6Very high92.1Very high91 Ų9174.1 Ų74.142%0.42137%0.369SS..  trans-110.4156.6178.9-65.183.7000111.9A220 R223 D233 G237 D238A220-H235 VanDerWaalsContact CB-O 3.22Å; A220-H235 WeakPolarHBondContact CB-O 3.3Å; R223-H235 PolarHBondContact NE-NE2 3.27Å; R223-H235 PolarHBondContact NH1-CE1 2.82Å; R223-H235 PolarHBondContact NH1-ND1 2.69Å; R223-H235 PolarHBondContact NH1-NE2 3.38Å; R223-H235 VanDerWaalsContact NH1-NE2 3.15Å; D233-H235 IonicContact OD1-CE1 3.44Å; H235-G237 PolarHBondContact O-N 3.48Å; H235-D238 PolarHBondContact N-OD2 3.07Å; H235-D238 WeakPolarHBondContact O-CB 3.35Å; H235-D238 VanDerWaalsContact O-CG 3.29Å; H235-D238 PolarHBondContact O-N 3.33Å; H235-D238 VanDerWaalsContact O-N 3.14Å
236P91.3Very high92.1Very high39 Ų3972 Ų7225%0.25337%0.373SS..THydrogen-bonded Turntrans-57.6127.1173.5-17.628.7000110.9A220 R223 I299A220-P236 CarbonylContact O-C 3.48Å; A220-P236 WeakPolarHBondContact O-CA 3.34Å; R223-P236 HydrophobicContact CB-CG 4.45Å; P236-I299 HydrophobicContact CB-CD1 4.25Å; P236-I299 HydrophobicContact CB-CG1 3.85Å
237G90.9Very high92Very high10 Ų1074.1 Ų74.110%0.10338%0.379CS..THydrogen-bonded Turntrans102.9-12.9-178.800000113.7A220 H235A220-G237 PolarHBondContact O-N 2.98Å; H235-G237 PolarHBondContact O-N 3.48Å
238D92.6Very high92Very high47 Ų4775.3 Ų75.325%0.25138%0.381SS..  trans-68.4138.4179.9-67.4-13.1000111.4L219 A220 F234 H235 M255L219-D238 CarbonylContact C-O 3.47Å; L219-D238 WeakPolarHBondContact CA-O 3.28Å; A220-D238 HydrophobicContact CB-CB 4.46Å; A220-D238 PolarHBondContact N-O 2.92Å; F234-D238 HydrophobicContact CB-CB 4.4Å; H235-D238 PolarHBondContact N-OD2 3.07Å; H235-D238 WeakPolarHBondContact O-CB 3.35Å; H235-D238 VanDerWaalsContact O-CG 3.29Å; H235-D238 PolarHBondContact O-N 3.33Å; H235-D238 VanDerWaalsContact O-N 3.14Å; D238-M255 HydrophobicContact CB-CE 3.7Å; D238-M255 HydrophobicContact CB-SD 4.45Å; D238-M255 WeakPolarHBondContact OD2-CE 3.14Å
239R92.5Very high92Very high136 Ų13675.7 Ų75.751%0.51338%0.383SS..EExtended strand (participates in β ladder)trans-84.6125175-173.4177.4-179.7-175.41.7110.1Y217 Y218 L219 F332Y217-R239 HydrophobicContact CD2-CG 4.26Å; Y218-R239 WeakPolarHBondContact O-CA 3.22Å; L219-R239 HydrophobicContact CD2-CB 3.88Å; L219-R239 HydrophobicContact CD2-CG 4.29Å; R239-F332 HydrophobicContact CB-CE1 4.43Å
240I93.9Very high92.2Very high3 Ų370.8 Ų70.82%0.01536%0.359CS..EExtended strand (participates in β ladder)trans-118.9130.9-177.7-66.6162.4000109.1Y218 A220 L232 F234 M255 F262 L267Y218-I240 PolarHBondContact O-N 3.36Å; A220-I240 HydrophobicContact CB-CD1 4.11Å; L232-I240 HydrophobicContact CD2-CG2 4.25Å; F234-I240 HydrophobicContact CB-CD1 4.12Å; F234-I240 HydrophobicContact CD1-CD1 3.54Å; F234-I240 HydrophobicContact CD2-CD1 3.95Å; F234-I240 HydrophobicContact CE1-CD1 3.76Å; F234-I240 HydrophobicContact CE2-CD1 4.15Å; F234-I240 HydrophobicContact CG-CD1 3.63Å; F234-I240 HydrophobicContact CZ-CD1 4.06Å; I240-M255 HydrophobicContact CG1-CE 4.45Å; I240-F262 HydrophobicContact CG2-CE1 3.75Å; I240-F262 HydrophobicContact CG2-CZ 3.73Å; I240-L267 HydrophobicContact CB-CD1 4.07Å; I240-L267 HydrophobicContact CB-CD2 4.49Å; I240-L267 HydrophobicContact CD1-CD1 4.39Å; I240-L267 HydrophobicContact CD1-CD2 3.47Å; I240-L267 VanDerWaalsContact CD1-CD2 3.47Å; I240-L267 HydrophobicContact CG2-CD1 3.98Å
241I93.6Very high92.4Very high102 Ų10267.9 Ų67.952%0.52334%0.34SS..EExtended strand (participates in β ladder)trans-88.9111.5172.4-57.8171.9000106.5L243 G253 K254I241-L243 HydrophobicContact CG2-CD2 4.25Å; I241-L243 PolarHBondContact O-N 3.01Å; I241-G253 CarbonylContact O-C 3.54Å; I241-G253 WeakPolarHBondContact O-CA 3.39Å; I241-K254 PolarHBondContact N-O 3.46Å; I241-K254 PolarHBondContact O-N 2.87Å
242V94.2Very high92.4Very high20 Ų2071.8 Ų71.812%0.12135%0.353CS..EExtended strand (participates in β ladder)trans-74.3124.7175177.80000108.2Y218 D245 W251 F262 L267Y218-V242 HydrophobicContact CD2-CB 3.99Å; Y218-V242 HydrophobicContact CD2-CG2 3.3Å; Y218-V242 HydrophobicContact CE2-CB 3.9Å; Y218-V242 HydrophobicContact CE2-CG2 3.54Å; Y218-V242 HydrophobicContact CG-CG2 3.85Å; V242-D245 HydrophobicContact CG1-CB 4.04Å; V242-W251 HydrophobicContact CG1-CE3 4.16Å; V242-W251 HydrophobicContact CG2-CE3 3.96Å; V242-W251 HydrophobicContact CG2-CZ3 4.32Å; V242-F262 HydrophobicContact CG2-CZ 4.39Å; V242-L267 HydrophobicContact CG2-CD1 3.97Å
243L93.3Very high92.5Very high88 Ų8871.7 Ų71.746%0.46135%0.353SS..EExtended strand (participates in β ladder)trans-100.1-35.8179.3-63.9-178.3000111.6I241 R252 K254 T259I241-L243 HydrophobicContact CG2-CD2 4.25Å; I241-L243 PolarHBondContact O-N 3.01Å; L243-R252 PolarHBondContact N-O 3.15Å; L243-K254 HydrophobicContact CD1-CB 3.96Å; L243-K254 HydrophobicContact CD2-CB 4.5Å; L243-K254 HydrophobicContact CG-CB 4.19Å; L243-T259 HydrophobicContact CD1-CG2 3.68Å
244D91.7Very high92.6Very high67 Ų6773.5 Ų73.536%0.35836%0.358SS..EExtended strand (participates in β ladder)trans-144.2120.6179.9-169.3-5.2000110S246 W251 R252D244-S246 WeakPolarHBondContact OD1-CB 3.5Å; D244-S246 PolarHBondContact OD1-N 3.13Å; D244-S246 PolarHBondContact OD1-OG 3.22Å; D244-W251 WeakPolarHBondContact O-CA 2.89Å; D244-R252 HydrophobicContact CB-CB 3.87Å; D244-R252 PolarHBondContact N-O 3.3Å; D244-R252 PolarHBondContact O-N 2.82Å
245D92.1Very high92.5Very high95 Ų9575.8 Ų75.851%0.50837%0.37SS..  trans-116.117.1176.460.6-14.8000112.9V242 N247 W251V242-D245 HydrophobicContact CG1-CB 4.04Å; D245-N247 PolarHBondContact O-N 2.98Å; D245-W251 HydrophobicContact CB-CD2 4.02Å; D245-W251 HydrophobicContact CB-CG 4.26Å; D245-W251 HydrophobicContact CB-CZ2 4.11Å
246S91.2Very high92.3Very high106 Ų10674.5 Ų74.574%0.74138%0.381SS*.  trans-64-23.6-176.9-540000113.9D244D244-S246 WeakPolarHBondContact OD1-CB 3.5Å; D244-S246 PolarHBondContact OD1-N 3.13Å; D244-S246 PolarHBondContact OD1-OG 3.22Å
247N89.4Confident92.2Very high81 Ų8181.7 Ų81.743%0.43341%0.411SS..SBendtrans-105133.3177.5178.3-44.3000109.8D245 E249 W250 W251D245-N247 PolarHBondContact O-N 2.98Å; N247-E249 VanDerWaalsContact C-N 3.32Å; N247-E249 PolarHBondContact O-N 3.32Å; N247-E249 PolarHBondContact OD1-N 2.89Å; N247-W250 WeakPolarHBondContact CB-O 3.49Å; N247-W250 PolarHBondContact OD1-N 3.12Å; N247-W250 VanDerWaalsContact OD1-N 3.08Å; N247-W251 PolarHBondContact O-NE1 2.7Å
248E88.9Confident92.3Very high177 Ų17788 Ų8883%0.82744%0.436SS*.SBendtrans-72.9-23.4-175.2-61.8-172.3168.700114A264E248-A264 WeakPolarHBondContact O-CB 3.34Å
249E89.8Confident92.4Very high141 Ų14188.5 Ų88.566%0.65944%0.44SS*.SBendtrans-96.7-41.4-174.2-68.9166.9164.300111.4N247 P263 A264N247-E249 VanDerWaalsContact C-N 3.32Å; N247-E249 PolarHBondContact O-N 3.32Å; N247-E249 PolarHBondContact OD1-N 2.89Å; E249-P263 VanDerWaalsContact O-CA 3.26Å; E249-P263 WeakPolarHBondContact O-CA 3.24Å; E249-A264 PolarHBondContact O-N 3.09Å
250W93.1Very high92.5Very high109 Ų10982.1 Ų82.141%0.41342%0.417SS..EExtended strand (participates in β ladder)trans-127.5117.9-174.6-71.886.6000111.9F224 N247 F262 P263F224-W250 HydrophobicContact CZ-CH2 4.17Å; F224-W250 AromaticContact CZ-CZ3 3.95Å; F224-W250 HydrophobicContact CZ-CZ3 3.95Å; N247-W250 WeakPolarHBondContact CB-O 3.49Å; N247-W250 PolarHBondContact OD1-N 3.12Å; N247-W250 VanDerWaalsContact OD1-N 3.08Å; W250-F262 WeakPolarHBondContact CA-O 3.07Å; W250-P263 HydrophobicContact CH2-CG 4.4Å; W250-P263 HydrophobicContact CZ3-CG 4.42Å
251W95.3Very high92.5Very high44 Ų4486.6 Ų86.617%0.16744%0.435CS..EExtended strand (participates in β ladder)trans-101.1152.1175-70.2-4.3000110.7Y218 V242 D244 D245 N247 Y261 F262 A264Y218-W251 HydrophobicContact CD1-CZ3 4.39Å; Y218-W251 HydrophobicContact CE1-CH2 4.4Å; Y218-W251 AromaticContact CE1-CZ3 3.95Å; Y218-W251 HydrophobicContact CE1-CZ3 3.95Å; V242-W251 HydrophobicContact CG1-CE3 4.16Å; V242-W251 HydrophobicContact CG2-CE3 3.96Å; V242-W251 HydrophobicContact CG2-CZ3 4.32Å; D244-W251 WeakPolarHBondContact O-CA 2.89Å; D245-W251 HydrophobicContact CB-CD2 4.02Å; D245-W251 HydrophobicContact CB-CG 4.26Å; D245-W251 HydrophobicContact CB-CZ2 4.11Å; N247-W251 PolarHBondContact O-NE1 2.7Å; W251-Y261 CarbonylContact O-C 3.58Å; W251-Y261 VanDerWaalsContact O-CA 3.29Å; W251-Y261 WeakPolarHBondContact O-CA 3.31Å; W251-F262 HydrophobicContact CB-CD2 4.36Å; W251-F262 HydrophobicContact CB-CE2 3.72Å; W251-F262 HydrophobicContact CB-CZ 3.97Å; W251-F262 HydrophobicContact CE3-CE2 4.39Å; W251-F262 PolarHBondContact N-O 2.87Å; W251-F262 PolarHBondContact O-N 2.94Å; W251-A264 HydrophobicContact CD2-CB 3.63Å; W251-A264 VanDerWaalsContact CE2-CB 3.46Å; W251-A264 HydrophobicContact CE3-CB 4.2Å; W251-A264 HydrophobicContact CG-CB 3.91Å; W251-A264 HydrophobicContact CH2-CB 4.44Å; W251-A264 HydrophobicContact CZ2-CB 3.9Å
252R94.3Very high92.6Very high102 Ų10281.8 Ų81.839%0.38541%0.41SS..EExtended strand (participates in β ladder)trans-101.3133.4169.3-160177.3179.2-127.10.4109L243 D244 T259 G260 Y261L243-R252 PolarHBondContact N-O 3.15Å; D244-R252 HydrophobicContact CB-CB 3.87Å; D244-R252 PolarHBondContact N-O 3.3Å; D244-R252 PolarHBondContact O-N 2.82Å; R252-T259 HydrophobicContact CG-CG2 4.41Å; R252-G260 WeakPolarHBondContact CA-O 3.42Å; R252-Y261 HydrophobicContact CB-CD1 3.94Å; R252-Y261 HydrophobicContact CB-CE1 3.78Å; R252-Y261 HydrophobicContact CG-CD1 4.17Å; R252-Y261 HydrophobicContact CG-CE1 3.96Å
253G95Very high92.5Very high0 Ų082 Ų820%041%0.412CS..EExtended strand (participates in β ladder)trans-150.6177.2175.500000113I241 T259 G260I241-G253 CarbonylContact O-C 3.54Å; I241-G253 WeakPolarHBondContact O-CA 3.39Å; G253-T259 WeakPolarHBondContact O-CA 3.46Å; G253-T259 WeakPolarHBondContact O-CG2 3.34Å; G253-G260 PolarHBondContact N-O 2.74Å; G253-G260 PolarHBondContact O-N 2.94Å
254K94.6Very high92.4Very high85 Ų8578.3 Ų78.337%0.3739%0.394SS..EExtended strand (participates in β ladder)trans-128.9135.6-174.4-179.4173.9178.11760110.1I241 L243 G256 K258I241-K254 PolarHBondContact N-O 3.46Å; I241-K254 PolarHBondContact O-N 2.87Å; L243-K254 HydrophobicContact CD1-CB 3.96Å; L243-K254 HydrophobicContact CD2-CB 4.5Å; L243-K254 HydrophobicContact CG-CB 4.19Å; K254-G256 WeakPolarHBondContact CE-O 3.49Å; K254-K258 CarbonylContact C-O 3.35Å; K254-K258 VanDerWaalsContact CA-O 3.31Å; K254-K258 WeakPolarHBondContact CA-O 3.45Å; K254-K258 WeakPolarHBondContact CG-O 3.32Å
255M92.7Very high92.4Very high49 Ų4980.6 Ų80.624%0.24141%0.406CS..EExtended strand (participates in β ladder)trans-131.3116.8169.6-172.4-145.7-62.300108.6L232 F234 D238 I240 E257 K258L232-M255 HydrophobicContact CD1-CB 4.42Å; L232-M255 HydrophobicContact CD2-CB 4.4Å; F234-M255 HydrophobicContact CB-CE 3.13Å; F234-M255 HydrophobicContact CG-CE 4.36Å; D238-M255 HydrophobicContact CB-CE 3.7Å; D238-M255 HydrophobicContact CB-SD 4.45Å; D238-M255 WeakPolarHBondContact OD2-CE 3.14Å; I240-M255 HydrophobicContact CG1-CE 4.45Å; M255-E257 PolarHBondContact O-N 3.03Å; M255-K258 PolarHBondContact N-O 3.18Å; M255-K258 PolarHBondContact O-N 3.48Å
256G88.3Confident92.4Very high64 Ų6479.5 Ų79.566%0.6640%0.395SS*.THydrogen-bonded Turntrans57.4-121.2-17200000110.6K254K254-G256 WeakPolarHBondContact CE-O 3.49Å
257E89.4Confident92.5Very high189 Ų18975.2 Ų75.288%0.88336%0.364SS*.THydrogen-bonded Turntrans-90.6-15.9176.2-61.5-172.4142.400113.6M255M255-E257 PolarHBondContact O-N 3.03Å
258K92.4Very high92.6Very high144 Ų14472 Ų7263%0.62635%0.347SS*.EExtended strand (participates in β ladder)trans-82.6136.6-176.5-62.4-179.1-177.11770110.6L232 K254 M255L232-K258 HydrophobicContact CD1-CB 3.78Å; K254-K258 CarbonylContact C-O 3.35Å; K254-K258 VanDerWaalsContact CA-O 3.31Å; K254-K258 WeakPolarHBondContact CA-O 3.45Å; K254-K258 WeakPolarHBondContact CG-O 3.32Å; M255-K258 PolarHBondContact N-O 3.18Å; M255-K258 PolarHBondContact O-N 3.48Å
259T94.9Very high92.7Very high56 Ų5668.7 Ų68.734%0.34433%0.329SS..EExtended strand (participates in β ladder)trans-130.2138.5176.2-53.80000108.5L243 R252 G253L243-T259 HydrophobicContact CD1-CG2 3.68Å; R252-T259 HydrophobicContact CG-CG2 4.41Å; G253-T259 WeakPolarHBondContact O-CA 3.46Å; G253-T259 WeakPolarHBondContact O-CG2 3.34Å
260G94.8Very high92.8Very high2 Ų262 Ų622%0.02130%0.298CS..EExtended strand (participates in β ladder)trans-175.7-177.9179.600000113D230 R252 G253D230-G260 CarbonylContact O-C 3.59Å; D230-G260 WeakPolarHBondContact O-CA 3.31Å; R252-G260 WeakPolarHBondContact CA-O 3.42Å; G253-G260 PolarHBondContact N-O 2.74Å; G253-G260 PolarHBondContact O-N 2.94Å
261Y94.4Very high92.6Very high98 Ų9864.3 Ų64.338%0.38431%0.307SS..EExtended strand (participates in β ladder)trans-92152179-65.1-81.6000111.9F224 D230 L232 W251 R252F224-Y261 WeakPolarHBondContact CE1-O 3.41Å; D230-Y261 HydrophobicContact CB-CD2 4.18Å; D230-Y261 HydrophobicContact CB-CE2 4.5Å; D230-Y261 PolarHBondContact O-N 3.32Å; L232-Y261 PolarHBondContact N-O 2.96Å; W251-Y261 CarbonylContact O-C 3.58Å; W251-Y261 VanDerWaalsContact O-CA 3.29Å; W251-Y261 WeakPolarHBondContact O-CA 3.31Å; R252-Y261 HydrophobicContact CB-CD1 3.94Å; R252-Y261 HydrophobicContact CB-CE1 3.78Å; R252-Y261 HydrophobicContact CG-CD1 4.17Å; R252-Y261 HydrophobicContact CG-CE1 3.96Å
262F94.7Very high92.1Very high0 Ų065.4 Ų65.40%033%0.325CS..EExtended strand (participates in β ladder)trans-160161.6173.554.9-95.6000111.6F224 L232 F234 I240 V242 W250 W251 A264 L267F224-F262 HydrophobicContact CD1-CB 3.75Å; F224-F262 HydrophobicContact CE1-CB 3.84Å; L232-F262 HydrophobicContact CB-CD1 4.08Å; L232-F262 HydrophobicContact CD2-CD1 3.83Å; L232-F262 HydrophobicContact CD2-CE1 3.88Å; F234-F262 HydrophobicContact CE1-CB 3.47Å; F234-F262 VanDerWaalsContact CE1-CB 3.47Å; F234-F262 AromaticContact CE1-CD1 3.92Å; F234-F262 HydrophobicContact CE1-CD1 3.92Å; F234-F262 HydrophobicContact CE1-CD2 4.25Å; F234-F262 AromaticContact CE1-CG 3.61Å; F234-F262 HydrophobicContact CE1-CG 3.61Å; F234-F262 HydrophobicContact CZ-CB 3.85Å; F234-F262 HydrophobicContact CZ-CD2 4.28Å; F234-F262 HydrophobicContact CZ-CG 4.04Å; I240-F262 HydrophobicContact CG2-CE1 3.75Å; I240-F262 HydrophobicContact CG2-CZ 3.73Å; V242-F262 HydrophobicContact CG2-CZ 4.39Å; W250-F262 WeakPolarHBondContact CA-O 3.07Å; W251-F262 HydrophobicContact CB-CD2 4.36Å; W251-F262 HydrophobicContact CB-CE2 3.72Å; W251-F262 HydrophobicContact CB-CZ 3.97Å; W251-F262 HydrophobicContact CE3-CE2 4.39Å; W251-F262 PolarHBondContact N-O 2.87Å; W251-F262 PolarHBondContact O-N 2.94Å; F262-A264 PolarHBondContact O-N 2.96Å; F262-L267 HydrophobicContact CD2-CD1 4.21Å; F262-L267 HydrophobicContact CD2-CG 4.17Å; F262-L267 HydrophobicContact CE2-CD1 3.26Å; F262-L267 HydrophobicContact CE2-CD2 4.34Å; F262-L267 HydrophobicContact CE2-CG 3.64Å; F262-L267 HydrophobicContact CZ-CD1 3.54Å; F262-L267 HydrophobicContact CZ-CG 4.37Å
263P93.3Very high91.7Very high25 Ų2565.3 Ų65.316%0.16234%0.34CS..EExtended strand (participates in β ladder)trans-70.6132.1179.2-1730.4000112.4F224 E249 W250 N265 Y266F224-P263 HydrophobicContact CE2-CG 4.25Å; E249-P263 VanDerWaalsContact O-CA 3.26Å; E249-P263 WeakPolarHBondContact O-CA 3.24Å; W250-P263 HydrophobicContact CH2-CG 4.4Å; W250-P263 HydrophobicContact CZ3-CG 4.42Å; P263-N265 PolarHBondContact O-N 3.17Å; P263-N265 VanDerWaalsContact O-N 3.12Å; P263-Y266 HydrophobicContact CB-CD2 3.74Å; P263-Y266 HydrophobicContact CB-CE2 4.09Å; P263-Y266 HydrophobicContact CG-CD2 4Å; P263-Y266 HydrophobicContact CG-CE2 4.03Å; P263-Y266 WeakPolarHBondContact O-CB 3.39Å; P263-Y266 PolarHBondContact O-N 2.74Å
264A90.3Very high91.5Very high11 Ų1166.7 Ų66.79%0.09135%0.347CS..G310 helixtrans-54.9-37.3-17800000113.1E248 E249 W251 F262 Y266 L267E248-A264 WeakPolarHBondContact O-CB 3.34Å; E249-A264 PolarHBondContact O-N 3.09Å; W251-A264 HydrophobicContact CD2-CB 3.63Å; W251-A264 VanDerWaalsContact CE2-CB 3.46Å; W251-A264 HydrophobicContact CE3-CB 4.2Å; W251-A264 HydrophobicContact CG-CB 3.91Å; W251-A264 HydrophobicContact CH2-CB 4.44Å; W251-A264 HydrophobicContact CZ2-CB 3.9Å; F262-A264 PolarHBondContact O-N 2.96Å; A264-Y266 PolarHBondContact O-N 3.36Å; A264-L267 PolarHBondContact O-N 3.35Å; A264-L267 VanDerWaalsContact O-N 3.17Å
265N91.5Very high91.4Very high114 Ų11468.7 Ų68.761%0.6135%0.352SS*.G310 helixtrans-68.2-3.8-179-73.2-46.6000115.5P263P263-N265 PolarHBondContact O-N 3.17Å; P263-N265 VanDerWaalsContact O-N 3.12Å
266Y92.1Very high91.5Very high73 Ų7366.5 Ų66.529%0.28634%0.341SS..G310 helixtrans-87.8-14.9176.5-83.2-126.8000112L221 Y222 F224 F234 P263 A264L221-Y266 WeakPolarHBondContact CB-O 3.39Å; L221-Y266 PolarHBondContact N-O 3.38Å; Y222-Y266 HydrophobicContact CD2-CD1 4.33Å; Y222-Y266 HydrophobicContact CD2-CD2 4.46Å; Y222-Y266 HydrophobicContact CD2-CG 4.27Å; F224-Y266 HydrophobicContact CB-CD1 3.88Å; F224-Y266 HydrophobicContact CB-CE1 4.07Å; F224-Y266 HydrophobicContact CD2-CE1 4.21Å; F234-Y266 HydrophobicContact CE2-CD1 4.21Å; F234-Y266 HydrophobicContact CZ-CD1 4.42Å; P263-Y266 HydrophobicContact CB-CD2 3.74Å; P263-Y266 HydrophobicContact CB-CE2 4.09Å; P263-Y266 HydrophobicContact CG-CD2 4Å; P263-Y266 HydrophobicContact CG-CE2 4.03Å; P263-Y266 WeakPolarHBondContact O-CB 3.39Å; P263-Y266 PolarHBondContact O-N 2.74Å; A264-Y266 PolarHBondContact O-N 3.36Å
267L92.4Very high91.8Very high16 Ų1664.8 Ų64.88%0.08432%0.315CS..EExtended strand (participates in β ladder)trans-102.2152.9179.1-55.3-164.6000112Y218 L219 A220 F234 I240 V242 F262 A264Y218-L267 HydrophobicContact CD1-CB 4.33Å; Y218-L267 HydrophobicContact CG-CD1 4.34Å; L219-L267 CarbonylContact O-C 3.48Å; L219-L267 VanDerWaalsContact O-CA 3.25Å; L219-L267 WeakPolarHBondContact O-CA 3.29Å; A220-L267 HydrophobicContact CB-CD2 4.15Å; F234-L267 HydrophobicContact CE2-CD2 4.31Å; F234-L267 HydrophobicContact CZ-CD2 4.19Å; I240-L267 HydrophobicContact CB-CD1 4.07Å; I240-L267 HydrophobicContact CB-CD2 4.49Å; I240-L267 HydrophobicContact CD1-CD1 4.39Å; I240-L267 HydrophobicContact CD1-CD2 3.47Å; I240-L267 VanDerWaalsContact CD1-CD2 3.47Å; I240-L267 HydrophobicContact CG2-CD1 3.98Å; V242-L267 HydrophobicContact CG2-CD1 3.97Å; F262-L267 HydrophobicContact CD2-CD1 4.21Å; F262-L267 HydrophobicContact CD2-CG 4.17Å; F262-L267 HydrophobicContact CE2-CD1 3.26Å; F262-L267 HydrophobicContact CE2-CD2 4.34Å; F262-L267 HydrophobicContact CE2-CG 3.64Å; F262-L267 HydrophobicContact CZ-CD1 3.54Å; F262-L267 HydrophobicContact CZ-CG 4.37Å; A264-L267 PolarHBondContact O-N 3.35Å; A264-L267 VanDerWaalsContact O-N 3.17Å
268I91.6Very high92.1Very high14 Ų1459 Ų597%0.07229%0.287CS..EExtended strand (participates in β ladder)trans-117.4133.7166.2-171.8158.6000109.6Y218 L219 L221 V270 V301Y218-I268 WeakPolarHBondContact CA-O 3.32Å; L219-I268 HydrophobicContact CB-CG2 4.01Å; L219-I268 PolarHBondContact N-O 2.92Å; L219-I268 PolarHBondContact O-N 3.3Å; L221-I268 HydrophobicContact CD1-CB 4.01Å; L221-I268 HydrophobicContact CD2-CB 3.84Å; L221-I268 HydrophobicContact CD2-CD1 4.26Å; L221-I268 HydrophobicContact CD2-CG2 3.58Å; L221-I268 HydrophobicContact CG-CB 3.87Å; L221-I268 HydrophobicContact CG-CG2 3.94Å; I268-V270 HydrophobicContact CG2-CG2 3.98Å; I268-V301 HydrophobicContact CD1-CG2 3.65Å; I268-V301 HydrophobicContact CG1-CG2 4.24Å; I268-V301 HydrophobicContact CG2-CG2 4.42Å
269K91.6Very high92.1Very high106 Ų10652.1 Ų52.146%0.46126%0.257SS..EExtended strand (participates in β ladder)trans-76.9121.3170.7-173169.1176.2141.60109.2H216 Y218H216-K269 HydrophobicContact CB-CG 4.19Å; H216-K269 WeakPolarHBondContact CD2-CE 3.48Å; H216-K269 PolarHBondContact CD2-NZ 3.46Å; H216-K269 PolarHBondContact CE1-NZ 3.39Å; H216-K269 VanDerWaalsContact CG-CE 3.47Å; H216-K269 WeakPolarHBondContact NE2-CE 3.36Å; H216-K269 PolarHBondContact NE2-NZ 2.92Å; Y218-K269 HydrophobicContact CD1-CB 4.02Å; Y218-K269 HydrophobicContact CE1-CB 3.66Å; Y218-K269 HydrophobicContact CE1-CD 4.22Å; Y218-K269 HydrophobicContact CE1-CG 3.96Å
270V91.6Very high92Very high0 Ų052 Ų520%026%0.257CS..EExtended strand (participates in β ladder)trans-117.5129.5179.7-172.10000108.9H216 Y217 L219 I268 E274 V276 V301H216-V270 CarbonylContact C-O 3.51Å; H216-V270 WeakPolarHBondContact CA-O 3.43Å; H216-V270 VanDerWaalsContact CB-O 3.31Å; H216-V270 WeakPolarHBondContact CB-O 3.48Å; Y217-V270 HydrophobicContact CD1-CB 4.35Å; Y217-V270 HydrophobicContact CD2-CB 4.33Å; Y217-V270 HydrophobicContact CE1-CB 3.96Å; Y217-V270 HydrophobicContact CE1-CG1 3.81Å; Y217-V270 HydrophobicContact CE2-CB 3.96Å; Y217-V270 HydrophobicContact CE2-CG1 4.21Å; Y217-V270 HydrophobicContact CE2-CG2 4.37Å; Y217-V270 PolarHBondContact N-O 3.39Å; Y217-V270 PolarHBondContact O-N 2.75Å; Y217-V270 WeakPolarHBondContact OH-CG1 3.49Å; L219-V270 HydrophobicContact CD1-CG2 4.06Å; L219-V270 HydrophobicContact CG-CG2 4.14Å; I268-V270 HydrophobicContact CG2-CG2 3.98Å; V270-E274 HydrophobicContact CG1-CB 3.87Å; V270-V276 HydrophobicContact CB-CG2 4.43Å; V270-V276 HydrophobicContact CG1-CG2 3.59Å; V270-V276 HydrophobicContact CG2-CG2 4.05Å; V270-V301 HydrophobicContact CG1-CG1 4.46Å; V270-V301 HydrophobicContact CG2-CG2 3.97Å
271R90.3Very high91.7Very high159 Ų15958 Ų5860%0.628%0.279SS*.EExtended strand (participates in β ladder)trans-80.5152.3173.2-64.6177.4174.5165.9-2.3110.2S215 S273 E274S215-R271 WeakPolarHBondContact O-CA 3.22Å; R271-S273 PolarHBondContact O-N 3.42Å; R271-S273 VanDerWaalsContact O-N 3.08Å; R271-E274 HydrophobicContact CB-CG 4.04Å; R271-E274 PolarHBondContact N-OE2 2.71Å; R271-E274 VanDerWaalsContact N-OE2 3.13Å; R271-E274 WeakPolarHBondContact O-CB 3.44Å; R271-E274 PolarHBondContact O-N 2.98Å
272A84.4Confident91.4Very high66 Ų6654.2 Ų54.255%0.54527%0.266SS..THydrogen-bonded Turntrans-57.3-26.9179.300000114S215 E274S215-A272 PolarHBondContact O-N 3.24Å; A272-E274 VanDerWaalsContact C-N 3.35Å
273S86.4Confident91Very high101 Ų10155 Ų5571%0.70627%0.27SS*.THydrogen-bonded Turntrans-81.8-10.8176.264.40000114R271R271-S273 PolarHBondContact O-N 3.42Å; R271-S273 VanDerWaalsContact O-N 3.08Å
274E90.9Very high90.8Very high28 Ų2854.7 Ų54.713%0.13127%0.267CS..  trans-89.3140.8-176.6-68-180152.200110.8V270 R271 A272 V301 K303V270-E274 HydrophobicContact CG1-CB 3.87Å; R271-E274 HydrophobicContact CB-CG 4.04Å; R271-E274 PolarHBondContact N-OE2 2.71Å; R271-E274 VanDerWaalsContact N-OE2 3.13Å; R271-E274 WeakPolarHBondContact O-CB 3.44Å; R271-E274 PolarHBondContact O-N 2.98Å; A272-E274 VanDerWaalsContact C-N 3.35Å; E274-V301 HydrophobicContact CB-CG1 3.76Å; E274-V301 HydrophobicContact CG-CG1 4.3Å; E274-K303 VanDerWaalsContact CD-NZ 3.35Å; E274-K303 IonicContact OE1-NZ 2.63Å; E274-K303 PolarHBondContact OE1-NZ 3.18Å; E274-K303 IonicContact OE2-NZ 3.44Å; E274-K303 PolarHBondContact OE2-NZ 3.43Å
275R92.5Very high90.5Very high128 Ų12854.6 Ų54.648%0.48327%0.267SS..  trans-95.8139.6174.7-64.2-54.3-164.1-120-2.9110.4Y277 K302 E329R275-Y277 HydrophobicContact CB-CD2 4.49Å; R275-Y277 HydrophobicContact CB-CE2 3.56Å; R275-K302 HydrophobicContact CB-CB 4.22Å; R275-K302 HydrophobicContact CB-CD 4.39Å; R275-K302 PolarHBondContact O-N 3.21Å; R275-E329 WeakPolarHBondContact CD-OE1 3.27Å; R275-E329 IonicContact NE-OE1 3.46Å; R275-E329 PolarHBondContact NE-OE1 2.9Å
276V94Very high90.1Very high2 Ų250.3 Ų50.31%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-113.3137.2-179.3-173.40000108.8L219 V270 I299 V300 V301 I330L219-V276 HydrophobicContact CD1-CB 4.01Å; L219-V276 HydrophobicContact CD1-CG1 3.56Å; L219-V276 HydrophobicContact CD1-CG2 3.68Å; V270-V276 HydrophobicContact CB-CG2 4.43Å; V270-V276 HydrophobicContact CG1-CG2 3.59Å; V270-V276 HydrophobicContact CG2-CG2 4.05Å; V276-I299 HydrophobicContact CG1-CG2 3.49Å; V276-I299 VanDerWaalsContact CG1-CG2 3.49Å; V276-V300 WeakPolarHBondContact CA-O 3.1Å; V276-V301 HydrophobicContact CG2-CG2 4.35Å; V276-I330 HydrophobicContact CG1-CD1 4.11Å; V276-I330 PolarHBondContact O-N 3.44Å
277Y94.9Very high89.7Confident28 Ų2854.7 Ų54.711%0.1126%0.26CS..EExtended strand (participates in β ladder)trans-126.6144.8-179.8-62.5-92.3000110.6R275 V300 K302 L311 L327 Q328 E329R275-Y277 HydrophobicContact CB-CD2 4.49Å; R275-Y277 HydrophobicContact CB-CE2 3.56Å; Y277-V300 PolarHBondContact N-O 3.08Å; Y277-V300 PolarHBondContact O-N 3.48Å; Y277-K302 HydrophobicContact CD2-CB 4.2Å; Y277-K302 HydrophobicContact CE2-CB 3.72Å; Y277-K302 HydrophobicContact CE2-CD 4.19Å; Y277-L311 HydrophobicContact CD2-CD2 4.06Å; Y277-L311 HydrophobicContact CE2-CD2 3.81Å; Y277-L327 HydrophobicContact CD1-CB 3.86Å; Y277-L327 HydrophobicContact CG-CB 4.13Å; Y277-L327 HydrophobicContact CG-CD1 4.41Å; Y277-Q328 CarbonylContact C-O 3.44Å; Y277-Q328 VanDerWaalsContact CA-O 3.23Å; Y277-Q328 WeakPolarHBondContact CA-O 3.26Å; Y277-E329 HydrophobicContact CD1-CB 3.92Å; Y277-E329 HydrophobicContact CD1-CG 4.39Å; Y277-E329 HydrophobicContact CE1-CB 3.6Å; Y277-E329 HydrophobicContact CE1-CG 3.89Å; Y277-E329 PolarHBondContact OH-OE2 2.71Å
278K94.4Very high89Confident67 Ų6757 Ų5729%0.29127%0.27SS..EExtended strand (participates in β ladder)trans-99.8133.6167.5-173.6174.3178-173.90109.3T280 D297 I299 Q328 I330K278-T280 PolarHBondContact O-N 3.18Å; K278-D297 WeakPolarHBondContact CE-OD1 3.24Å; K278-D297 IonicContact NZ-OD1 3.27Å; K278-D297 PolarHBondContact NZ-OD1 3.33Å; K278-I299 HydrophobicContact CB-CD1 4.16Å; K278-I299 HydrophobicContact CG-CD1 4.04Å; K278-Q328 PolarHBondContact N-O 3.03Å; K278-Q328 PolarHBondContact O-N 2.88Å; K278-I330 HydrophobicContact CB-CD1 3.8Å; K278-I330 HydrophobicContact CB-CG1 3.93Å
279V94.1Very high88.5Confident0 Ų061.8 Ų61.80%029%0.294CS..EExtended strand (participates in β ladder)trans-74.8118.3176.9176.90000109.8R281 L294 K295 D297 Q298 F322 L326 L327V279-R281 WeakPolarHBondContact CG1-O 3.25Å; V279-L294 HydrophobicContact CG1-CB 4.42Å; V279-L294 HydrophobicContact CG2-CB 3.96Å; V279-L294 HydrophobicContact CG2-CD1 3.71Å; V279-L294 HydrophobicContact CG2-CG 4.49Å; V279-K295 WeakPolarHBondContact CB-O 3.12Å; V279-K295 VanDerWaalsContact CG1-O 3.24Å; V279-K295 WeakPolarHBondContact CG1-O 3.19Å; V279-D297 PolarHBondContact O-N 3.05Å; V279-Q298 HydrophobicContact CG2-CB 4.25Å; V279-Q298 WeakPolarHBondContact CG2-O 3.19Å; V279-Q298 PolarHBondContact N-O 3.37Å; V279-F322 HydrophobicContact CG1-CE1 3.99Å; V279-F322 HydrophobicContact CG1-CZ 3.66Å; V279-F322 HydrophobicContact CG2-CE1 4.15Å; V279-F322 HydrophobicContact CG2-CZ 4.26Å; V279-L326 WeakPolarHBondContact CA-O 3.43Å; V279-L327 HydrophobicContact CG2-CD2 3.89Å
280T92.3Very high88.2Confident55 Ų5558.3 Ų58.334%0.33729%0.289SS..SBendtrans-79.9-27.3-177.761.20000112.6K278 K296 L326 Q328K278-T280 PolarHBondContact O-N 3.18Å; T280-K296 WeakPolarHBondContact O-CG 3.06Å; T280-L326 PolarHBondContact N-O 3.38Å; T280-L326 WeakPolarHBondContact OG1-CA 3.44Å; T280-L326 PolarHBondContact OG1-O 2.9Å; T280-Q328 HydrophobicContact CG2-CB 3.6Å
281R87.9Confident88.1Confident128 Ų12858.8 Ų58.848%0.48329%0.291SS..SBendtrans-146.5141.5-179.8-163.9-179.6-61.1179.62.2111.4V279 F283 L326V279-R281 WeakPolarHBondContact CG1-O 3.25Å; R281-F283 PolarHBondContact O-N 3.18Å; R281-L326 HydrophobicContact CB-CD2 4.06Å
282S87.8Confident88.1Confident18 Ų1852.2 Ų52.213%0.12627%0.268CS..  trans-60.1130.6172.3-59.20000110.6L294 K295 K296S282-L294 WeakPolarHBondContact CA-O 3.49Å; S282-K295 WeakPolarHBondContact OG-CA 3.49Å; S282-K296 PolarHBondContact OG-N 3.49Å
283F87.9Confident88.4Confident17 Ų1751.7 Ų51.78%0.07526%0.258CS..BIsolated β-bridgetrans-137.3137.6179171.6-96000110.4Q108 R281 T293 L294 Y310 F322 L326Q108-F283 HydrophobicContact CG-CD2 4.09Å; R281-F283 PolarHBondContact O-N 3.18Å; F283-T293 VanDerWaalsContact O-CA 3.29Å; F283-T293 WeakPolarHBondContact O-CA 3.32Å; F283-L294 PolarHBondContact N-O 3.41Å; F283-L294 PolarHBondContact O-N 2.85Å; F283-L294 VanDerWaalsContact O-N 3.07Å; F283-Y310 HydrophobicContact CE1-CE1 4.15Å; F283-Y310 HydrophobicContact CZ-CE1 4.1Å; F283-F322 HydrophobicContact CB-CE2 3.59Å; F283-F322 HydrophobicContact CB-CZ 3.68Å; F283-F322 AromaticContact CD1-CD2 3.92Å; F283-F322 HydrophobicContact CD1-CD2 3.92Å; F283-F322 AromaticContact CD1-CE2 3.67Å; F283-F322 HydrophobicContact CD1-CE2 3.67Å; F283-F322 HydrophobicContact CD1-CZ 4.38Å; F283-F322 HydrophobicContact CG-CE2 4.08Å; F283-F322 HydrophobicContact CG-CZ 4.42Å; F283-L326 HydrophobicContact CB-CD1 3.59Å; F283-L326 HydrophobicContact CD2-CD1 3.99Å; F283-L326 HydrophobicContact CG-CD1 3.97Å
284V87Confident88.6Confident18 Ų1847.2 Ų47.211%0.10923%0.225CC..  trans-103102.5-179.2179.90000108.2D74 V75 V105 Q108 T293D74-V284 HydrophobicContact CB-CG1 4.33Å; D74-V284 WeakPolarHBondContact O-CG1 3.17Å; V75-V284 HydrophobicContact CB-CG2 4.18Å; V75-V284 HydrophobicContact CG1-CG2 4.1Å; V75-V284 HydrophobicContact CG2-CG2 3.96Å; V105-V284 HydrophobicContact CG1-CB 4.07Å; V105-V284 HydrophobicContact CG1-CG2 3.51Å; Q108-V284 VanDerWaalsContact NE2-N 3.12Å; Q108-V284 VanDerWaalsContact OE1-CB 3.3Å; Q108-V284 PolarHBondContact OE1-O 3.42Å; V284-T293 HydrophobicContact CB-CG2 4.37Å; V284-T293 HydrophobicContact CG1-CG2 4.49Å; V284-T293 HydrophobicContact CG2-CG2 3.98Å
285G85.9Confident88.5Confident9 Ų950.1 Ų50.19%0.09324%0.238CC..  trans-72.7145.3-179.800000112.6R287 I292 T293G285-R287 PolarHBondContact O-N 3.29Å; G285-I292 PolarHBondContact N-O 3.01Å; G285-T293 PolarHBondContact N-OG1 3.18Å
286N83.2Confident88.3Confident23 Ų2349.9 Ų49.912%0.12324%0.24CC..  trans-74103.8166.5-173.1-5.1000111.2F111 E288 M289 Q291F111-N286 HydrophobicContact CD2-CB 4.19Å; F111-N286 HydrophobicContact CE2-CB 4.19Å; N286-E288 PolarHBondContact O-N 3.33Å; N286-E288 VanDerWaalsContact O-N 3.15Å; N286-E288 PolarHBondContact OD1-N 3.23Å; N286-E288 VanDerWaalsContact OD1-N 3.13Å; N286-M289 HydrophobicContact CB-CB 4.45Å; N286-M289 HydrophobicContact CB-CG 4.4Å; N286-M289 PolarHBondContact O-N 3.08Å; N286-Q291 WeakPolarHBondContact O-CB 3.27Å; N286-Q291 PolarHBondContact O-N 3.04Å; N286-Q291 VanDerWaalsContact O-N 3.09Å
287R83Confident88.1Confident165 Ų16553 Ų5362%0.62326%0.257SS*.G310 helixtrans-57.9-28.2-179.1-163.3173.4-178.5-167.8-7113.6Y122 G285 M289 G290Y122-R287 HydrophobicContact CE2-CG 4.33Å; Y122-R287 VanDerWaalsContact CE2-CZ 3.41Å; Y122-R287 VanDerWaalsContact CZ-NE 3.32Å; Y122-R287 VanDerWaalsContact CZ-NH2 3.29Å; Y122-R287 VanDerWaalsContact OH-CG 3.31Å; Y122-R287 WeakPolarHBondContact OH-CG 3.26Å; Y122-R287 PolarHBondContact OH-NE 2.97Å; Y122-R287 PolarHBondContact OH-NH2 3.03Å; G285-R287 PolarHBondContact O-N 3.29Å; R287-M289 VanDerWaalsContact C-N 3.28Å; R287-M289 PolarHBondContact O-N 3.45Å; R287-G290 PolarHBondContact O-N 3.21Å; R287-G290 VanDerWaalsContact O-N 3.15Å
288E77.3Confident87.9Confident64 Ų6454.2 Ų54.230%0.29926%0.263SS..G310 helixtrans-72.5-23.6178.8-61.7-175.516400112.7I114 N286 G290I114-E288 WeakPolarHBondContact CB-OE2 3.45Å; I114-E288 VanDerWaalsContact CD1-OE2 3.24Å; I114-E288 WeakPolarHBondContact CD1-OE2 3.43Å; I114-E288 WeakPolarHBondContact CG1-OE2 3.43Å; I114-E288 WeakPolarHBondContact CG2-OE2 3.41Å; N286-E288 PolarHBondContact O-N 3.33Å; N286-E288 VanDerWaalsContact O-N 3.15Å; N286-E288 PolarHBondContact OD1-N 3.23Å; N286-E288 VanDerWaalsContact OD1-N 3.13Å; E288-G290 VanDerWaalsContact C-N 3.32Å
289M80.3Confident87.9Confident115 Ų11551.2 Ų51.257%0.56725%0.251SS*.G310 helixtrans-93.28.8172.8-61.7-175.469.700112.3N286 R287 Q291N286-M289 HydrophobicContact CB-CB 4.45Å; N286-M289 HydrophobicContact CB-CG 4.4Å; N286-M289 PolarHBondContact O-N 3.08Å; R287-M289 VanDerWaalsContact C-N 3.28Å; R287-M289 PolarHBondContact O-N 3.45Å; M289-Q291 HydrophobicContact CB-CG 4.23Å; M289-Q291 PolarHBondContact O-N 3.3Å
290G85.6Confident87.9Confident34 Ų3451.2 Ų51.235%0.35125%0.251SS..THydrogen-bonded Turntrans72.113-175.100000114.1R287 E288 G320 Y321R287-G290 PolarHBondContact O-N 3.21Å; R287-G290 VanDerWaalsContact O-N 3.15Å; E288-G290 VanDerWaalsContact C-N 3.32Å; G290-G320 WeakPolarHBondContact O-CA 3.29Å; G290-Y321 PolarHBondContact O-N 2.07Å
291Q89.9Confident88Confident9 Ų948.6 Ų48.64%0.04224%0.235CC..BIsolated β-bridgetrans-78.6151.1175.2-58.8171.73.900110.7N286 M289 Y310 Y321N286-Q291 WeakPolarHBondContact O-CB 3.27Å; N286-Q291 PolarHBondContact O-N 3.04Å; N286-Q291 VanDerWaalsContact O-N 3.09Å; M289-Q291 HydrophobicContact CB-CG 4.23Å; M289-Q291 PolarHBondContact O-N 3.3Å; Q291-Y310 VanDerWaalsContact CD-CE1 3.45Å; Q291-Y310 HydrophobicContact CG-CD1 4.11Å; Q291-Y310 HydrophobicContact CG-CE1 3.99Å; Q291-Y310 VanDerWaalsContact NE2-CE1 3.35Å; Q291-Y310 PolarHBondContact NE2-OH 3.34Å; Q291-Y321 CarbonylContact C-O 3.6Å; Q291-Y321 WeakPolarHBondContact CA-O 3.18Å; Q291-Y321 WeakPolarHBondContact CB-O 3.17Å
292I89.9Confident88.4Confident22 Ų2245.6 Ų45.611%0.11323%0.225CC..  trans-114.4147.6-179.357.7172.9000111.5G285 L294 V313 Y321 F322G285-I292 PolarHBondContact N-O 3.01Å; I292-L294 HydrophobicContact CD1-CD1 3.99Å; I292-L294 HydrophobicContact CD1-CD2 3.88Å; I292-L294 HydrophobicContact CD1-CG 3.99Å; I292-L294 HydrophobicContact CG1-CD1 4.4Å; I292-L294 HydrophobicContact CG1-CD2 4.39Å; I292-L294 HydrophobicContact CG1-CG 4.14Å; I292-V313 HydrophobicContact CD1-CG2 3.73Å; I292-Y321 PolarHBondContact N-O 3.09Å; I292-F322 HydrophobicContact CG1-CB 4.27Å; I292-F322 HydrophobicContact CG1-CD2 4.39Å
293T90.3Very high88.6Confident55 Ų5549.2 Ų49.234%0.33724%0.238SC..  trans-86.7119.4171.4-59.30000109.4F283 V284 G285F283-T293 VanDerWaalsContact O-CA 3.29Å; F283-T293 WeakPolarHBondContact O-CA 3.32Å; V284-T293 HydrophobicContact CB-CG2 4.37Å; V284-T293 HydrophobicContact CG1-CG2 4.49Å; V284-T293 HydrophobicContact CG2-CG2 3.98Å; G285-T293 PolarHBondContact N-OG1 3.18Å
294L91.2Very high88.7Confident6 Ų649.3 Ų49.33%0.03124%0.244CC..BIsolated β-bridgetrans-123.7151.9173.5-55.4176.1000110.3V279 S282 F283 I292 V300 V313 T315 F322V279-L294 HydrophobicContact CG1-CB 4.42Å; V279-L294 HydrophobicContact CG2-CB 3.96Å; V279-L294 HydrophobicContact CG2-CD1 3.71Å; V279-L294 HydrophobicContact CG2-CG 4.49Å; S282-L294 WeakPolarHBondContact CA-O 3.49Å; F283-L294 PolarHBondContact N-O 3.41Å; F283-L294 PolarHBondContact O-N 2.85Å; F283-L294 VanDerWaalsContact O-N 3.07Å; I292-L294 HydrophobicContact CD1-CD1 3.99Å; I292-L294 HydrophobicContact CD1-CD2 3.88Å; I292-L294 HydrophobicContact CD1-CG 3.99Å; I292-L294 HydrophobicContact CG1-CD1 4.4Å; I292-L294 HydrophobicContact CG1-CD2 4.39Å; I292-L294 HydrophobicContact CG1-CG 4.14Å; L294-V300 HydrophobicContact CD1-CG1 3.56Å; L294-V300 HydrophobicContact CD2-CG1 4.34Å; L294-V313 HydrophobicContact CD1-CG2 4.29Å; L294-T315 HydrophobicContact CD2-CG2 3.38Å; L294-F322 HydrophobicContact CB-CD2 3.98Å; L294-F322 HydrophobicContact CB-CE2 3.48Å; L294-F322 VanDerWaalsContact CB-CE2 3.48Å; L294-F322 HydrophobicContact CB-CZ 3.98Å; L294-F322 HydrophobicContact CD1-CB 4.21Å; L294-F322 HydrophobicContact CD1-CD1 4.16Å; L294-F322 HydrophobicContact CD1-CD2 3.51Å; L294-F322 HydrophobicContact CD1-CE1 4.4Å; L294-F322 HydrophobicContact CD1-CE2 3.79Å; L294-F322 HydrophobicContact CD1-CG 3.68Å; L294-F322 HydrophobicContact CD1-CZ 4.23Å; L294-F322 HydrophobicContact CG-CD2 3.68Å; L294-F322 HydrophobicContact CG-CE2 3.75Å; L294-F322 HydrophobicContact CG-CG 4.37Å; L294-F322 HydrophobicContact CG-CZ 4.49Å
295K89.3Confident88.9Confident89 Ų8954 Ų5439%0.38727%0.269SS..  trans-97.5155.8176.4-62.6-178.5-177.2177.90110.4V279 S282 Q298V279-K295 WeakPolarHBondContact CB-O 3.12Å; V279-K295 VanDerWaalsContact CG1-O 3.24Å; V279-K295 WeakPolarHBondContact CG1-O 3.19Å; S282-K295 WeakPolarHBondContact OG-CA 3.49Å; K295-Q298 HydrophobicContact CB-CG 4.08Å; K295-Q298 WeakPolarHBondContact O-CB 3.43Å; K295-Q298 WeakPolarHBondContact O-CG 3.36Å; K295-Q298 PolarHBondContact O-N 3.37Å
296K88.1Confident89.1Confident123 Ų12358.9 Ų58.954%0.53529%0.289SS..THydrogen-bonded Turntrans-48.1143.2167.3-172-176.9174.6-168.70110.6T280 S282 Q298T280-K296 WeakPolarHBondContact O-CG 3.06Å; S282-K296 PolarHBondContact OG-N 3.49Å; K296-Q298 PolarHBondContact O-N 3.27Å
297D89.7Confident89.3Confident68 Ų6864.4 Ų64.436%0.36431%0.312SS..THydrogen-bonded Turntrans676.5178.9-54.8-56000115.2K278 V279K278-D297 WeakPolarHBondContact CE-OD1 3.24Å; K278-D297 IonicContact NZ-OD1 3.27Å; K278-D297 PolarHBondContact NZ-OD1 3.33Å; V279-D297 PolarHBondContact O-N 3.05Å
298Q91.9Very high89.5Confident53 Ų5361.4 Ų61.425%0.24832%0.323CS..  trans-73.4142170.4-71-168.4-4200111.6V279 K295 K296V279-Q298 HydrophobicContact CG2-CB 4.25Å; V279-Q298 WeakPolarHBondContact CG2-O 3.19Å; V279-Q298 PolarHBondContact N-O 3.37Å; K295-Q298 HydrophobicContact CB-CG 4.08Å; K295-Q298 WeakPolarHBondContact O-CB 3.43Å; K295-Q298 WeakPolarHBondContact O-CG 3.36Å; K295-Q298 PolarHBondContact O-N 3.37Å; K296-Q298 PolarHBondContact O-N 3.27Å
299I93.7Very high90Very high4 Ų459.6 Ų59.62%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-94.7134.4177.1-51.6-52000109.9L221 P236 V276 K278 I330L221-I299 HydrophobicContact CD2-CB 4.19Å; P236-I299 HydrophobicContact CB-CD1 4.25Å; P236-I299 HydrophobicContact CB-CG1 3.85Å; V276-I299 HydrophobicContact CG1-CG2 3.49Å; V276-I299 VanDerWaalsContact CG1-CG2 3.49Å; K278-I299 HydrophobicContact CB-CD1 4.16Å; K278-I299 HydrophobicContact CG-CD1 4.04Å; I299-I330 HydrophobicContact CD1-CD1 3.68Å; I299-I330 HydrophobicContact CG2-CD1 4.48Å
300V94.7Very high90.5Very high0 Ų056.6 Ų56.60%030%0.304CS..EExtended strand (participates in β ladder)trans-137.7151.7177-63.10000112V276 Y277 L294 V313 S314 T315 L327V276-V300 WeakPolarHBondContact CA-O 3.1Å; Y277-V300 PolarHBondContact N-O 3.08Å; Y277-V300 PolarHBondContact O-N 3.48Å; L294-V300 HydrophobicContact CD1-CG1 3.56Å; L294-V300 HydrophobicContact CD2-CG1 4.34Å; V300-V313 HydrophobicContact CB-CB 3.97Å; V300-V313 HydrophobicContact CB-CG2 4.15Å; V300-V313 HydrophobicContact CG1-CG2 4.34Å; V300-V313 HydrophobicContact CG2-CB 3.9Å; V300-V313 HydrophobicContact CG2-CG1 4.03Å; V300-V313 HydrophobicContact CG2-CG2 4.11Å; V300-S314 CarbonylContact C-O 3.51Å; V300-S314 WeakPolarHBondContact CA-O 3.35Å; V300-T315 HydrophobicContact CG1-CG2 3.75Å; V300-L327 HydrophobicContact CG2-CD2 3.86Å
301V94.4Very high91Very high1 Ų155.2 Ų55.21%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-109.1131.1179.1-176.30000109I268 V270 E274 V276 K303 V313 S314I268-V301 HydrophobicContact CD1-CG2 3.65Å; I268-V301 HydrophobicContact CG1-CG2 4.24Å; I268-V301 HydrophobicContact CG2-CG2 4.42Å; V270-V301 HydrophobicContact CG1-CG1 4.46Å; V270-V301 HydrophobicContact CG2-CG2 3.97Å; E274-V301 HydrophobicContact CB-CG1 3.76Å; E274-V301 HydrophobicContact CG-CG1 4.3Å; V276-V301 HydrophobicContact CG2-CG2 4.35Å; V301-K303 PolarHBondContact O-N 2.75Å; V301-V313 CarbonylContact O-C 3.6Å; V301-V313 VanDerWaalsContact O-CA 3.31Å; V301-V313 WeakPolarHBondContact O-CA 3.19Å; V301-S314 PolarHBondContact N-O 2.96Å; V301-S314 PolarHBondContact O-N 2.86Å
302K94.5Very high91.2Very high65 Ų6558 Ų5828%0.28330%0.301SS..EExtended strand (participates in β ladder)trans-66.2128.8174.1176.7179.5176.4175.20109.9R275 Y277 G304 L311R275-K302 HydrophobicContact CB-CB 4.22Å; R275-K302 HydrophobicContact CB-CD 4.39Å; R275-K302 PolarHBondContact O-N 3.21Å; Y277-K302 HydrophobicContact CD2-CB 4.2Å; Y277-K302 HydrophobicContact CE2-CB 3.72Å; Y277-K302 HydrophobicContact CE2-CD 4.19Å; K302-G304 WeakPolarHBondContact CE-O 3.43Å; K302-G304 WeakPolarHBondContact CG-O 3.49Å; K302-L311 HydrophobicContact CB-CD2 4.31Å; K302-L311 HydrophobicContact CD-CD1 3.95Å; K302-L311 HydrophobicContact CD-CD2 4.22Å; K302-L311 HydrophobicContact CD-CG 4.5Å; K302-L311 HydrophobicContact CG-CD1 4.08Å; K302-L311 HydrophobicContact CG-CD2 4.18Å; K302-L311 HydrophobicContact CG-CG 4.27Å
303K93.2Very high91.5Very high93 Ų9357 Ų5740%0.40430%0.295SS..EExtended strand (participates in β ladder)trans-121.40.6179.4-67.4-63.1-176.7-179.80113.4E274 V301 K312 L319E274-K303 VanDerWaalsContact CD-NZ 3.35Å; E274-K303 IonicContact OE1-NZ 2.63Å; E274-K303 PolarHBondContact OE1-NZ 3.18Å; E274-K303 IonicContact OE2-NZ 3.44Å; E274-K303 PolarHBondContact OE2-NZ 3.43Å; V301-K303 PolarHBondContact O-N 2.75Å; K303-K312 PolarHBondContact N-O 3.04Å; K303-L319 HydrophobicContact CB-CD1 3.83Å; K303-L319 HydrophobicContact CG-CD1 3.92Å
304G90.6Very high91.6Very high19 Ų1955.1 Ų55.120%0.19628%0.284CS..EExtended strand (participates in β ladder)trans-172.7-177.8176.500000111.9K302 K312K302-G304 WeakPolarHBondContact CE-O 3.43Å; K302-G304 WeakPolarHBondContact CG-O 3.49Å; G304-K312 PolarHBondContact N-O 3.46Å
305D89.4Confident91.5Very high117 Ų11755.8 Ų55.863%0.62629%0.289SS*.EExtended strand (participates in β ladder)trans-75.2160.5-175.6-55.5-57.9000113.1
306E91.1Very high91.3Very high112 Ų11253.9 Ų53.952%0.52330%0.295SS..EExtended strand (participates in β ladder)trans-75.5132.9172.6-167.6-179.114100110G309 Y310 L311 A324E306-G309 WeakPolarHBondContact OE1-CA 3.4Å; E306-Y310 WeakPolarHBondContact CA-O 3.46Å; E306-L311 HydrophobicContact CB-CD1 4.01Å; E306-A324 HydrophobicContact CG-CB 4.21Å; E306-A324 WeakPolarHBondContact OE2-CB 3.34Å
307K87.3Confident91.2Very high138 Ų13856 Ų5660%0.630%0.299SS*.EExtended strand (participates in β ladder)trans-132.5122.7174.2-65.7-172.7179.5-173.20109G309 Y310K307-G309 VanDerWaalsContact C-N 3.31Å; K307-G309 PolarHBondContact O-N 3.41Å; K307-Y310 PolarHBondContact N-O 3.14Å; K307-Y310 PolarHBondContact O-N 3.02Å
308A86.4Confident91.2Very high102 Ų10259.4 Ų59.484%0.84331%0.311SS*.THydrogen-bonded Turntrans53.142177.700000114.2Y310A308-Y310 VanDerWaalsContact C-N 3.28Å; A308-Y310 WeakPolarHBondContact O-CD2 3.17Å; A308-Y310 PolarHBondContact O-N 2.98Å
309G88.3Confident91.2Very high26 Ų2661.5 Ų61.527%0.26832%0.323SS..THydrogen-bonded Turntrans794.7-179.200000114.9E306 K307 A324E306-G309 WeakPolarHBondContact OE1-CA 3.4Å; K307-G309 VanDerWaalsContact C-N 3.31Å; K307-G309 PolarHBondContact O-N 3.41Å; G309-A324 PolarHBondContact O-N 2.99Å
310Y92.1Very high91.1Very high52 Ų5261.6 Ų61.620%0.20433%0.326CS..EExtended strand (participates in β ladder)trans-114.7128.1175.9-68-93.8000111.5F283 Q291 E306 K307 A308 F322F283-Y310 HydrophobicContact CE1-CE1 4.15Å; F283-Y310 HydrophobicContact CZ-CE1 4.1Å; Q291-Y310 VanDerWaalsContact CD-CE1 3.45Å; Q291-Y310 HydrophobicContact CG-CD1 4.11Å; Q291-Y310 HydrophobicContact CG-CE1 3.99Å; Q291-Y310 VanDerWaalsContact NE2-CE1 3.35Å; Q291-Y310 PolarHBondContact NE2-OH 3.34Å; E306-Y310 WeakPolarHBondContact CA-O 3.46Å; K307-Y310 PolarHBondContact N-O 3.14Å; K307-Y310 PolarHBondContact O-N 3.02Å; A308-Y310 VanDerWaalsContact C-N 3.28Å; A308-Y310 WeakPolarHBondContact O-CD2 3.17Å; A308-Y310 PolarHBondContact O-N 2.98Å; Y310-F322 CarbonylContact C-O 3.4Å; Y310-F322 VanDerWaalsContact CA-O 3.31Å; Y310-F322 WeakPolarHBondContact CA-O 3.23Å
311L94.5Very high91.1Very high6 Ų665 Ų653%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-93.4137175.9-168.265.7000110.8Y277 K302 E306 V313 Y321 F322 A324 L327Y277-L311 HydrophobicContact CD2-CD2 4.06Å; Y277-L311 HydrophobicContact CE2-CD2 3.81Å; K302-L311 HydrophobicContact CB-CD2 4.31Å; K302-L311 HydrophobicContact CD-CD1 3.95Å; K302-L311 HydrophobicContact CD-CD2 4.22Å; K302-L311 HydrophobicContact CD-CG 4.5Å; K302-L311 HydrophobicContact CG-CD1 4.08Å; K302-L311 HydrophobicContact CG-CD2 4.18Å; K302-L311 HydrophobicContact CG-CG 4.27Å; E306-L311 HydrophobicContact CB-CD1 4.01Å; L311-V313 HydrophobicContact CB-CG1 4.15Å; L311-V313 HydrophobicContact CD2-CG1 3.86Å; L311-V313 HydrophobicContact CG-CG1 3.9Å; L311-V313 PolarHBondContact O-N 3.44Å; L311-Y321 WeakPolarHBondContact O-CA 3.28Å; L311-F322 PolarHBondContact N-O 3.04Å; L311-F322 PolarHBondContact O-N 3Å; L311-A324 HydrophobicContact CB-CB 4.4Å; L311-L327 HydrophobicContact CB-CD1 4.03Å; L311-L327 HydrophobicContact CD2-CD1 3.73Å; L311-L327 HydrophobicContact CG-CD1 4.47Å
312K94.9Very high91.1Very high68 Ų6864.9 Ų64.930%0.29634%0.338SS..EExtended strand (participates in β ladder)trans-79.7112.4172.6-169176.8-178.6-176.40110.1K303 G304 Y321K303-K312 PolarHBondContact N-O 3.04Å; G304-K312 PolarHBondContact N-O 3.46Å; K312-Y321 HydrophobicContact CB-CD1 4.06Å; K312-Y321 HydrophobicContact CB-CE1 3.8Å; K312-Y321 HydrophobicContact CD-CE1 4.44Å; K312-Y321 HydrophobicContact CG-CE1 4.25Å
313V95Very high91Very high0 Ų062.6 Ų62.60%033%0.33CS..EExtended strand (participates in β ladder)trans-126.8159.7-174.4-57.40000112.3I292 L294 V300 V301 L311 G320 F322 L327I292-V313 HydrophobicContact CD1-CG2 3.73Å; L294-V313 HydrophobicContact CD1-CG2 4.29Å; V300-V313 HydrophobicContact CB-CB 3.97Å; V300-V313 HydrophobicContact CB-CG2 4.15Å; V300-V313 HydrophobicContact CG1-CG2 4.34Å; V300-V313 HydrophobicContact CG2-CB 3.9Å; V300-V313 HydrophobicContact CG2-CG1 4.03Å; V300-V313 HydrophobicContact CG2-CG2 4.11Å; V301-V313 CarbonylContact O-C 3.6Å; V301-V313 VanDerWaalsContact O-CA 3.31Å; V301-V313 WeakPolarHBondContact O-CA 3.19Å; L311-V313 HydrophobicContact CB-CG1 4.15Å; L311-V313 HydrophobicContact CD2-CG1 3.86Å; L311-V313 HydrophobicContact CG-CG1 3.9Å; L311-V313 PolarHBondContact O-N 3.44Å; V313-G320 PolarHBondContact N-O 3.25Å; V313-G320 PolarHBondContact O-N 2.91Å; V313-F322 HydrophobicContact CG2-CB 3.8Å; V313-L327 HydrophobicContact CG1-CD1 3.91Å
314S93Very high91Very high15 Ų1559.1 Ų59.111%0.10532%0.319CS..EExtended strand (participates in β ladder)trans-126.1137.1175.7-177.50000111.7V300 V301 G316 K318V300-S314 CarbonylContact C-O 3.51Å; V300-S314 WeakPolarHBondContact CA-O 3.35Å; V301-S314 PolarHBondContact N-O 2.96Å; V301-S314 PolarHBondContact O-N 2.86Å; S314-G316 VanDerWaalsContact C-N 3.34Å; S314-G316 PolarHBondContact OG-N 2.9Å; S314-K318 VanDerWaalsContact CA-O 3.28Å; S314-K318 WeakPolarHBondContact CA-O 3.35Å; S314-K318 PolarHBondContact OG-O 2.77Å
315T90.4Very high91Very high20 Ų2062.5 Ų62.512%0.12333%0.333CS..  trans-94.512.2172.562.60000112.6L294 V300 R317 K318L294-T315 HydrophobicContact CD2-CG2 3.38Å; V300-T315 HydrophobicContact CG1-CG2 3.75Å; T315-R317 PolarHBondContact O-N 3.03Å; T315-R317 VanDerWaalsContact O-N 3.1Å; T315-K318 PolarHBondContact N-O 2.91Å; T315-K318 PolarHBondContact OG1-N 3.33Å; T315-K318 VanDerWaalsContact OG1-N 3.12Å; T315-K318 PolarHBondContact OG1-O 2.99Å
316G85Confident91.2Very high50 Ų5058.1 Ų58.152%0.51531%0.309SS..SBendtrans80.7-34.8-167.800000113.6S314S314-G316 VanDerWaalsContact C-N 3.34Å; S314-G316 PolarHBondContact OG-N 2.9Å
317R85.6Confident91.4Very high166 Ų16653.9 Ų53.963%0.62629%0.29SS*.SBendtrans-103.5-29.7178.4-57.5-175.4-169.3-173.33.4114.1T315T315-R317 PolarHBondContact O-N 3.03Å; T315-R317 VanDerWaalsContact O-N 3.1Å
318K88.4Confident91.8Very high141 Ų14153 Ų5361%0.61329%0.288SS*.  trans-130.7148.3-175.9-62.9179.8-178.3175.40109.5S314 T315S314-K318 VanDerWaalsContact CA-O 3.28Å; S314-K318 WeakPolarHBondContact CA-O 3.35Å; S314-K318 PolarHBondContact OG-O 2.77Å; T315-K318 PolarHBondContact N-O 2.91Å; T315-K318 PolarHBondContact OG1-N 3.33Å; T315-K318 VanDerWaalsContact OG1-N 3.12Å; T315-K318 PolarHBondContact OG1-O 2.99Å
319L92Very high92.1Very high96 Ų9651.9 Ų51.950%0.50327%0.265SS..EExtended strand (participates in β ladder)trans-120.8137.8174.6-174.583.1000108.1K303K303-L319 HydrophobicContact CB-CD1 3.83Å; K303-L319 HydrophobicContact CG-CD1 3.92Å
320G92.7Very high92.2Very high7 Ų752.4 Ų52.47%0.07226%0.262CS..EExtended strand (participates in β ladder)trans174.5-170.1168.700000113.4G290 V313G290-G320 WeakPolarHBondContact O-CA 3.29Å; V313-G320 PolarHBondContact N-O 3.25Å; V313-G320 PolarHBondContact O-N 2.91Å
321Y94.1Very high91.8Very high70 Ų7055 Ų5528%0.27528%0.283SS..EExtended strand (participates in β ladder)trans-92.2135.2-175-68.3-77.8000111.5G290 Q291 I292 L311 K312G290-Y321 PolarHBondContact O-N 2.07Å; Q291-Y321 CarbonylContact C-O 3.6Å; Q291-Y321 WeakPolarHBondContact CA-O 3.18Å; Q291-Y321 WeakPolarHBondContact CB-O 3.17Å; I292-Y321 PolarHBondContact N-O 3.09Å; L311-Y321 WeakPolarHBondContact O-CA 3.28Å; K312-Y321 HydrophobicContact CB-CD1 4.06Å; K312-Y321 HydrophobicContact CB-CE1 3.8Å; K312-Y321 HydrophobicContact CD-CE1 4.44Å; K312-Y321 HydrophobicContact CG-CE1 4.25Å
322F94.4Very high90.7Very high0 Ų058 Ų580%030%0.296CS..EExtended strand (participates in β ladder)trans-136.6146.7178.5-169-97.4000110.4V279 F283 I292 L294 Y310 L311 V313 A324 L326 L327V279-F322 HydrophobicContact CG1-CE1 3.99Å; V279-F322 HydrophobicContact CG1-CZ 3.66Å; V279-F322 HydrophobicContact CG2-CE1 4.15Å; V279-F322 HydrophobicContact CG2-CZ 4.26Å; F283-F322 HydrophobicContact CB-CE2 3.59Å; F283-F322 HydrophobicContact CB-CZ 3.68Å; F283-F322 AromaticContact CD1-CD2 3.92Å; F283-F322 HydrophobicContact CD1-CD2 3.92Å; F283-F322 AromaticContact CD1-CE2 3.67Å; F283-F322 HydrophobicContact CD1-CE2 3.67Å; F283-F322 HydrophobicContact CD1-CZ 4.38Å; F283-F322 HydrophobicContact CG-CE2 4.08Å; F283-F322 HydrophobicContact CG-CZ 4.42Å; I292-F322 HydrophobicContact CG1-CB 4.27Å; I292-F322 HydrophobicContact CG1-CD2 4.39Å; L294-F322 HydrophobicContact CB-CD2 3.98Å; L294-F322 HydrophobicContact CB-CE2 3.48Å; L294-F322 VanDerWaalsContact CB-CE2 3.48Å; L294-F322 HydrophobicContact CB-CZ 3.98Å; L294-F322 HydrophobicContact CD1-CB 4.21Å; L294-F322 HydrophobicContact CD1-CD1 4.16Å; L294-F322 HydrophobicContact CD1-CD2 3.51Å; L294-F322 HydrophobicContact CD1-CE1 4.4Å; L294-F322 HydrophobicContact CD1-CE2 3.79Å; L294-F322 HydrophobicContact CD1-CG 3.68Å; L294-F322 HydrophobicContact CD1-CZ 4.23Å; L294-F322 HydrophobicContact CG-CD2 3.68Å; L294-F322 HydrophobicContact CG-CE2 3.75Å; L294-F322 HydrophobicContact CG-CG 4.37Å; L294-F322 HydrophobicContact CG-CZ 4.49Å; Y310-F322 CarbonylContact C-O 3.4Å; Y310-F322 VanDerWaalsContact CA-O 3.31Å; Y310-F322 WeakPolarHBondContact CA-O 3.23Å; L311-F322 PolarHBondContact N-O 3.04Å; L311-F322 PolarHBondContact O-N 3Å; V313-F322 HydrophobicContact CG2-CB 3.8Å; F322-A324 PolarHBondContact O-N 2.84Å; F322-L326 HydrophobicContact CE1-CB 3.72Å; F322-L326 HydrophobicContact CZ-CB 4.22Å; F322-L327 HydrophobicContact CD1-CD1 4.07Å; F322-L327 HydrophobicContact CD1-CD2 3.54Å; F322-L327 HydrophobicContact CD1-CG 3.7Å; F322-L327 HydrophobicContact CE1-CD2 3.72Å; F322-L327 HydrophobicContact CE1-CG 4.08Å
323S92.9Very high88.6Confident16 Ų1664.7 Ų64.711%0.11234%0.343CS..EExtended strand (participates in β ladder)trans-59.6121.4-175.9-163.40000110.6D325 L326S323-D325 VanDerWaalsContact C-N 3.29Å; S323-D325 PolarHBondContact O-N 3.12Å; S323-L326 PolarHBondContact O-N 3.22Å; S323-L326 VanDerWaalsContact O-N 3.12Å
324A92.8Very high88.2Confident21 Ų2168 Ų6817%0.17436%0.36CS..G310 helixtrans-62.8-36.7-178.700000111.8E306 G309 L311 F322 L326 L327E306-A324 HydrophobicContact CG-CB 4.21Å; E306-A324 WeakPolarHBondContact OE2-CB 3.34Å; G309-A324 PolarHBondContact O-N 2.99Å; L311-A324 HydrophobicContact CB-CB 4.4Å; F322-A324 PolarHBondContact O-N 2.84Å; A324-L326 PolarHBondContact O-N 3.01Å; A324-L327 WeakPolarHBondContact O-CB 3.39Å; A324-L327 PolarHBondContact O-N 3.38Å
325D91.5Very high88Confident89 Ų8970.7 Ų70.748%0.47637%0.373SS..G310 helixtrans-55.9-21.3174.6-61-40.4000114.4R54 S323R54-D325 IonicContact CZ-OD1 3.6Å; R54-D325 IonicContact CZ-OD2 2.68Å; R54-D325 IonicContact NH1-OD2 3.95Å; R54-D325 PolarHBondContact NH1-OD2 3.42Å; R54-D325 IonicContact NH2-OD1 3.12Å; R54-D325 PolarHBondContact NH2-OD1 2.81Å; R54-D325 VanDerWaalsContact NH2-OD1 3.09Å; R54-D325 IonicContact NH2-OD2 3.04Å; R54-D325 PolarHBondContact NH2-OD2 3.2Å; S323-D325 VanDerWaalsContact C-N 3.29Å; S323-D325 PolarHBondContact O-N 3.12Å
326L93.3Very high87.9Confident26 Ų2673.6 Ų73.614%0.13639%0.387CS..G310 helixtrans-105.315.4-176.3-57.2-177.5000112.4V279 T280 R281 F283 F322 S323 A324V279-L326 WeakPolarHBondContact CA-O 3.43Å; T280-L326 PolarHBondContact N-O 3.38Å; T280-L326 WeakPolarHBondContact OG1-CA 3.44Å; T280-L326 PolarHBondContact OG1-O 2.9Å; R281-L326 HydrophobicContact CB-CD2 4.06Å; F283-L326 HydrophobicContact CB-CD1 3.59Å; F283-L326 HydrophobicContact CD2-CD1 3.99Å; F283-L326 HydrophobicContact CG-CD1 3.97Å; F322-L326 HydrophobicContact CE1-CB 3.72Å; F322-L326 HydrophobicContact CZ-CB 4.22Å; S323-L326 PolarHBondContact O-N 3.22Å; S323-L326 VanDerWaalsContact O-N 3.12Å; A324-L326 PolarHBondContact O-N 3.01Å
327L94.8Very high88Confident22 Ų2274.9 Ų74.912%0.11538%0.38CS..EExtended strand (participates in β ladder)trans-117.3133.3178.7-65.9177.8000109.9Y277 V279 V300 L311 V313 F322 A324Y277-L327 HydrophobicContact CD1-CB 3.86Å; Y277-L327 HydrophobicContact CG-CB 4.13Å; Y277-L327 HydrophobicContact CG-CD1 4.41Å; V279-L327 HydrophobicContact CG2-CD2 3.89Å; V300-L327 HydrophobicContact CG2-CD2 3.86Å; L311-L327 HydrophobicContact CB-CD1 4.03Å; L311-L327 HydrophobicContact CD2-CD1 3.73Å; L311-L327 HydrophobicContact CG-CD1 4.47Å; V313-L327 HydrophobicContact CG1-CD1 3.91Å; F322-L327 HydrophobicContact CD1-CD1 4.07Å; F322-L327 HydrophobicContact CD1-CD2 3.54Å; F322-L327 HydrophobicContact CD1-CG 3.7Å; F322-L327 HydrophobicContact CE1-CD2 3.72Å; F322-L327 HydrophobicContact CE1-CG 4.08Å; A324-L327 WeakPolarHBondContact O-CB 3.39Å; A324-L327 PolarHBondContact O-N 3.38Å
328Q94.9Very high88.2Confident119 Ų11969.3 Ų69.356%0.55636%0.364SS*.EExtended strand (participates in β ladder)trans-113.2124.3171.8-179.2175.515.900108.4Y277 K278 T280 I330Y277-Q328 CarbonylContact C-O 3.44Å; Y277-Q328 VanDerWaalsContact CA-O 3.23Å; Y277-Q328 WeakPolarHBondContact CA-O 3.26Å; K278-Q328 PolarHBondContact N-O 3.03Å; K278-Q328 PolarHBondContact O-N 2.88Å; T280-Q328 HydrophobicContact CG2-CB 3.6Å; Q328-I330 PolarHBondContact O-N 2.86Å
329E93.6Very high88.2Confident79 Ų7964.5 Ų64.537%0.36935%0.348SS..EExtended strand (participates in β ladder)trans-66133178.2-165159.5155.100110.2R275 Y277 T331R275-E329 WeakPolarHBondContact CD-OE1 3.27Å; R275-E329 IonicContact NE-OE1 3.46Å; R275-E329 PolarHBondContact NE-OE1 2.9Å; Y277-E329 HydrophobicContact CD1-CB 3.92Å; Y277-E329 HydrophobicContact CD1-CG 4.39Å; Y277-E329 HydrophobicContact CE1-CB 3.6Å; Y277-E329 HydrophobicContact CE1-CG 3.89Å; Y277-E329 PolarHBondContact OH-OE2 2.71Å; E329-T331 HydrophobicContact CG-CG2 4.37Å
330I90.7Very high87.9Confident38 Ų3862.2 Ų62.220%0.19534%0.337CS..  trans-95.2106.3171.8-57.3167000107V276 K278 I299 Q328 F332V276-I330 HydrophobicContact CG1-CD1 4.11Å; V276-I330 PolarHBondContact O-N 3.44Å; K278-I330 HydrophobicContact CB-CD1 3.8Å; K278-I330 HydrophobicContact CB-CG1 3.93Å; I299-I330 HydrophobicContact CD1-CD1 3.68Å; I299-I330 HydrophobicContact CG2-CD1 4.48Å; Q328-I330 PolarHBondContact O-N 2.86Å; I330-F332 HydrophobicContact CB-CE2 4.46Å; I330-F332 HydrophobicContact CB-CZ 4.25Å; I330-F332 HydrophobicContact CG2-CD1 4.37Å; I330-F332 HydrophobicContact CG2-CE1 3.69Å; I330-F332 HydrophobicContact CG2-CE2 3.89Å; I330-F332 HydrophobicContact CG2-CZ 3.39Å
331T83.7Confident87.5Confident105 Ų10566.5 Ų66.564%0.64436%0.357SS*.  trans-94.7125171.452.40000109.2E329E329-T331 HydrophobicContact CG-CG2 4.37Å
332F70.8Confident87Confident71 Ų7166.2 Ų66.231%0.31136%0.364SS..  trans-92.7107.6171.5-54-81.5000106.9Y217 L219 R239 I330Y217-F332 HydrophobicContact CE2-CD2 4.11Å; Y217-F332 AromaticContact CE2-CE2 3.78Å; Y217-F332 HydrophobicContact CE2-CE2 3.78Å; Y217-F332 HydrophobicContact CE2-CZ 4.39Å; L219-F332 HydrophobicContact CD1-CE2 3.89Å; L219-F332 HydrophobicContact CD1-CZ 3.57Å; L219-F332 HydrophobicContact CD2-CE1 3.74Å; L219-F332 HydrophobicContact CD2-CE2 4.02Å; L219-F332 HydrophobicContact CD2-CZ 3.32Å; L219-F332 HydrophobicContact CG-CZ 4.08Å; R239-F332 HydrophobicContact CB-CE1 4.43Å; I330-F332 HydrophobicContact CB-CE2 4.46Å; I330-F332 HydrophobicContact CB-CZ 4.25Å; I330-F332 HydrophobicContact CG2-CD1 4.37Å; I330-F332 HydrophobicContact CG2-CE1 3.69Å; I330-F332 HydrophobicContact CG2-CE2 3.89Å; I330-F332 HydrophobicContact CG2-CZ 3.39Å
333T50.5Low86.3Confident208 Ų20872.2 Ų72.2100%1.27640%0.397SS*.  trans-72.50171.846.10000111.5

Retrieved 333 of 333 residues in 192.6 ms (Link to these results)