A0A096N7N4_PAPAN Loading...

Collagen like tail subunit of asymmetric acetylcholinesterase

AlphaFold DB , UniProt , Accession A0A096N7N4, Species PAPAN (Papio anubis, Olive baboon), Gene COLQ, Length 459 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
1M42.3Very low58.1Low228 Ų228115.7 Ų115.7100%1.12365%0.648SS**  01290-70.5158.265.900108
2V43.8Very low58.6Low133 Ų133120.8 Ų120.881%0.80665%0.652SS**  trans-120.1113.2167.8177.70000106.1L4V2-L4 PolarHBondContact O-N 3.37Å
3V52.2Low59.1Low133 Ų133119.7 Ų119.781%0.80665%0.645SS**  trans-85.793.6-179.3-177.50000107.9N5V3-N5 PolarHBondContact O-N 3.42Å
4L56.2Low59.4Low125 Ų125121.1 Ų121.165%0.65465%0.645SS**  trans-68.3124.5172.3-84.5160.6000109.5V2V2-L4 PolarHBondContact O-N 3.37Å
5N61.1Low59.7Low90 Ų90120.1 Ų120.148%0.48164%0.639SS.*  trans-68.5129.6-178.4-176.4-28.4000109.6V3 M7 T8 L9V3-N5 PolarHBondContact O-N 3.42Å; N5-M7 PolarHBondContact O-N 3.24Å; N5-M7 PolarHBondContact OD1-N 3.46Å; N5-M7 VanDerWaalsContact OD1-N 3.14Å; N5-T8 PolarHBondContact O-N 3.35Å; N5-T8 PolarHBondContact O-OG1 3.47Å; N5-L9 PolarHBondContact O-N 3.42Å
6P60.1Low59.9Low105 Ų105120.1 Ų120.168%0.68263%0.632SS**Hα-helixtrans-56.1-27.2-177.720.7-33.3000113.8L9 G10P6-L9 PolarHBondContact O-N 3.37Å; P6-G10 PolarHBondContact O-N 3.29Å
7M61Low59.8Low146 Ų146120.8 Ų120.872%0.71963%0.629SS**Hα-helixtrans-63.8-39.5174.7-71.3-62.8-158.600113.3N5 G10 I11N5-M7 PolarHBondContact O-N 3.24Å; N5-M7 PolarHBondContact OD1-N 3.46Å; N5-M7 VanDerWaalsContact OD1-N 3.14Å; M7-G10 PolarHBondContact O-N 3.15Å; M7-I11 WeakPolarHBondContact O-CG1 3.06Å; M7-I11 PolarHBondContact O-N 3.23Å
8T62.7Low59.4Low62 Ų62121 Ų12138%0.3863%0.63SS.*Hα-helixtrans-74.5-30.6179.658.10000111.7N5 I11 Y12N5-T8 PolarHBondContact O-N 3.35Å; N5-T8 PolarHBondContact O-OG1 3.47Å; T8-I11 PolarHBondContact O-N 3.37Å; T8-Y12 PolarHBondContact O-N 3.1Å; T8-Y12 VanDerWaalsContact O-N 3.08Å
9L62.8Low59.1Low116 Ų116118.2 Ų118.261%0.60762%0.622SS**Hα-helixtrans-63.9-42.5173.9-157.977.9000111.6N5 P6 Y12 L13N5-L9 PolarHBondContact O-N 3.42Å; P6-L9 PolarHBondContact O-N 3.37Å; L9-Y12 PolarHBondContact O-N 3.27Å; L9-L13 PolarHBondContact O-N 3.4Å
10G68.1Low58.7Low35 Ų35118.7 Ų118.736%0.36162%0.623SS.*Hα-helixtrans-62.7-42.1176.600000113.5P6 M7 L13 Q14P6-G10 PolarHBondContact O-N 3.29Å; M7-G10 PolarHBondContact O-N 3.15Å; G10-L13 PolarHBondContact O-N 3.23Å; G10-Q14 PolarHBondContact O-N 2.98Å
11I68.4Low58.1Low100 Ų100119.3 Ų119.351%0.51363%0.631SS.*Hα-helixtrans-65.1-44.1177.4-65.6165.6000110.9M7 T8 L13 Q14 L15M7-I11 WeakPolarHBondContact O-CG1 3.06Å; M7-I11 PolarHBondContact O-N 3.23Å; T8-I11 PolarHBondContact O-N 3.37Å; I11-L13 VanDerWaalsContact C-N 3.3Å; I11-L13 PolarHBondContact O-N 2.91Å; I11-Q14 PolarHBondContact O-N 2.93Å; I11-L15 HydrophobicContact CG2-CD1 4.09Å; I11-L15 WeakPolarHBondContact O-CG 3.34Å; I11-L15 PolarHBondContact O-N 3.19Å
12Y64.9Low58.2Low177 Ų177112.6 Ų112.669%0.69461%0.607SS**Hα-helixtrans-61.6-37.6175-98.4-87.6000112.6T8 L9 L15 F16T8-Y12 PolarHBondContact O-N 3.1Å; T8-Y12 VanDerWaalsContact O-N 3.08Å; L9-Y12 PolarHBondContact O-N 3.27Å; Y12-L15 PolarHBondContact O-N 3.23Å; Y12-F16 WeakPolarHBondContact O-CB 3.28Å; Y12-F16 PolarHBondContact O-N 3.17Å
13L64.6Low58.1Low106 Ų106113.3 Ų113.356%0.55560%0.601SS**Hα-helixtrans-66.4-42.5177.3-15377.1000111.8L9 G10 I11 F16 F17L9-L13 PolarHBondContact O-N 3.4Å; G10-L13 PolarHBondContact O-N 3.23Å; I11-L13 VanDerWaalsContact C-N 3.3Å; I11-L13 PolarHBondContact O-N 2.91Å; L13-F16 PolarHBondContact O-N 3.01Å; L13-F17 HydrophobicContact CD2-CE2 4.3Å; L13-F17 HydrophobicContact CG-CD2 4.28Å; L13-F17 HydrophobicContact CG-CE2 4.06Å; L13-F17 VanDerWaalsContact O-CD2 3.27Å; L13-F17 WeakPolarHBondContact O-CD2 3.46Å; L13-F17 PolarHBondContact O-N 3.42Å
14Q63.4Low57.9Low139 Ų139113.2 Ų113.265%0.6560%0.603SS**Hα-helixtrans-64.4-42.6175.4-74.3-172.7-21.500112.3G10 I11 F16 F17 L18G10-Q14 PolarHBondContact O-N 2.98Å; I11-Q14 PolarHBondContact O-N 2.93Å; Q14-F16 VanDerWaalsContact C-N 3.3Å; Q14-F16 PolarHBondContact O-N 3.19Å; Q14-F17 PolarHBondContact O-N 3.1Å; Q14-L18 VanDerWaalsContact O-CD1 3.23Å; Q14-L18 WeakPolarHBondContact O-CD1 3.31Å; Q14-L18 PolarHBondContact O-N 3.46Å
15L63.8Low57.5Low107 Ų107112.6 Ų112.656%0.5661%0.605SS**Hα-helixtrans-62.4-36.6175-71.9173.7000112.4I11 Y12 S19I11-L15 HydrophobicContact CG2-CD1 4.09Å; I11-L15 WeakPolarHBondContact O-CG 3.34Å; I11-L15 PolarHBondContact O-N 3.19Å; Y12-L15 PolarHBondContact O-N 3.23Å; L15-S19 WeakPolarHBondContact O-CB 3.39Å; L15-S19 PolarHBondContact O-N 3.11Å
16F63.7Low56.6Low120 Ų120117 Ų11753%0.52662%0.62SS.*Hα-helixtrans-64.5-43.2174-172.2-95.8000112.1Y12 L13 Q14 S19 M20Y12-F16 WeakPolarHBondContact O-CB 3.28Å; Y12-F16 PolarHBondContact O-N 3.17Å; L13-F16 PolarHBondContact O-N 3.01Å; Q14-F16 VanDerWaalsContact C-N 3.3Å; Q14-F16 PolarHBondContact O-N 3.19Å; F16-S19 PolarHBondContact O-N 3.44Å; F16-M20 HydrophobicContact CD1-CG 4.46Å; F16-M20 HydrophobicContact CE1-CG 4.13Å; F16-M20 HydrophobicContact CE2-CE 4.37Å; F16-M20 HydrophobicContact CZ-CE 3.99Å; F16-M20 HydrophobicContact CZ-CG 4.43Å; F16-M20 PolarHBondContact O-N 3.2Å
17F57.2Low55.7Low131 Ų131120 Ų12058%0.57563%0.629SS**Hα-helixtrans-67.8-38.6175.9-82.5-67.8000113.4L13 Q14 S19 M20 V21L13-F17 HydrophobicContact CD2-CE2 4.3Å; L13-F17 HydrophobicContact CG-CD2 4.28Å; L13-F17 HydrophobicContact CG-CE2 4.06Å; L13-F17 VanDerWaalsContact O-CD2 3.27Å; L13-F17 WeakPolarHBondContact O-CD2 3.46Å; L13-F17 PolarHBondContact O-N 3.42Å; Q14-F17 PolarHBondContact O-N 3.1Å; F17-S19 VanDerWaalsContact C-N 3.33Å; F17-S19 PolarHBondContact O-N 3.5Å; F17-M20 PolarHBondContact O-N 2.9Å; F17-V21 WeakPolarHBondContact O-CG2 3.16Å; F17-V21 PolarHBondContact O-N 3.07Å
18L53.1Low54.7Low125 Ų125121.2 Ų121.265%0.65464%0.638SS**Hα-helixtrans-64.4-37.5173.2-91.980000112.1Q14 V21Q14-L18 VanDerWaalsContact O-CD1 3.23Å; Q14-L18 WeakPolarHBondContact O-CD1 3.31Å; Q14-L18 PolarHBondContact O-N 3.46Å; L18-V21 PolarHBondContact O-N 2.8Å
19S53Low53.6Low68 Ų68122.5 Ų122.548%0.47665%0.649SS.*Hα-helixtrans-64.1-42.4176.3-171.30000112.4L15 F16 F17 V21 S22L15-S19 WeakPolarHBondContact O-CB 3.39Å; L15-S19 PolarHBondContact O-N 3.11Å; F16-S19 PolarHBondContact O-N 3.44Å; F17-S19 VanDerWaalsContact C-N 3.33Å; F17-S19 PolarHBondContact O-N 3.5Å; S19-V21 PolarHBondContact O-N 3Å; S19-S22 PolarHBondContact O-N 3.31Å; S19-S22 PolarHBondContact O-OG 3.26Å
20M50.9Low52.5Low128 Ų128123.4 Ų123.463%0.63166%0.659SS**Hα-helixtrans-68.3-19.1179.3-78.2-73.5154.300114.3F16 F17F16-M20 HydrophobicContact CD1-CG 4.46Å; F16-M20 HydrophobicContact CE1-CG 4.13Å; F16-M20 HydrophobicContact CE2-CE 4.37Å; F16-M20 HydrophobicContact CZ-CE 3.99Å; F16-M20 HydrophobicContact CZ-CG 4.43Å; F16-M20 PolarHBondContact O-N 3.2Å; F17-M20 PolarHBondContact O-N 2.9Å
21V47.8Very low50.8Low132 Ų132129.5 Ų129.580%0.868%0.683SS**Hα-helixtrans-89-10.9178175.10000112.4F17 L18 S19F17-V21 WeakPolarHBondContact O-CG2 3.16Å; F17-V21 PolarHBondContact O-N 3.07Å; L18-V21 PolarHBondContact O-N 2.8Å; S19-V21 PolarHBondContact O-N 3Å
22S44.3Very low49.1Very low87 Ų87130.4 Ų130.461%0.60870%0.695SS**SBendtrans-98.47.7-173.968.70000116.1S19S19-S22 PolarHBondContact O-N 3.31Å; S19-S22 PolarHBondContact O-OG 3.26Å
23Q40.4Very low47.5Very low148 Ų148130 Ų13069%0.69270%0.703SS**  trans-119109.3178.7-66.3-161.7-10.400113.1T25Q23-T25 VanDerWaalsContact C-N 3.27Å; Q23-T25 PolarHBondContact O-N 3.38Å; Q23-T25 VanDerWaalsContact O-N 3.07Å
24P47.8Very low45.9Very low130 Ų130130.7 Ų130.784%0.84472%0.717SS**  trans-84.933.8-171.635.5-37.6000114.8
25T47.7Very low44.4Very low113 Ų113128.6 Ų128.669%0.69372%0.723SS**  trans-146.265.2-172.356.30000114.6Q23Q23-T25 VanDerWaalsContact C-N 3.27Å; Q23-T25 PolarHBondContact O-N 3.38Å; Q23-T25 VanDerWaalsContact O-N 3.07Å
26F43.6Very low42.7Very low183 Ų183127.9 Ų127.980%0.80373%0.733SS**SBendtrans-146.817.5171.2-143.8-101.7000118.5
27I39.9Very low41Very low168 Ų168130.3 Ų130.386%0.86275%0.751SS**SBendtrans-132.773.3167.9-49.8-178.9000110.3
28N40.3Very low40.4Very low170 Ų170130.1 Ų130.191%0.90976%0.763SS**SBendtrans-165.737.8162.5-111.8-24.1000112.8
29S41Very low39.1Very low89 Ų89127.3 Ų127.362%0.62276%0.764SS**  trans-146.526.9-16650.80000115.5
30V39.3Very low37.9Very low135 Ų135132.1 Ų132.182%0.81878%0.783SS**SBendtrans-133.292171.9-172.40000111
31L31.3Very low36.9Very low163 Ų163131.3 Ų131.385%0.85378%0.781SS**  trans137.888.5156.4-77.7175.1000112.3
32P33.8Very low36.2Very low119 Ų119132.3 Ų132.377%0.77378%0.777SS**  trans-91.3136.7169.534.6-30.2000112
33I30.9Very low35.4Very low169 Ų169136.9 Ų136.987%0.86779%0.786SS**  trans-131.5105.4158.2-58.8-178.5000108.1
34S31.8Very low34.9Very low121 Ų121138.5 Ų138.585%0.84679%0.791SS**  trans-127.1120.7172-69.70000109.3
35A30.1Very low33.9Very low94 Ų94143.3 Ų143.378%0.77779%0.792SS**  trans-154.3129.617100000111.8
36A28.8Very low32.9Very low92 Ų92141.7 Ų141.776%0.7680%0.798SS**  trans42.8107.8164.100000118.8
37L28.9Very low32.1Very low172 Ų172136 Ų13690%0.90179%0.791SS**  69.2147.860.3-64.7176.8000115.7
38P43Very low31.7Very low127 Ų127137.6 Ų137.683%0.82579%0.794SS**  trans-128.3-176.2-138.444.5-31.6000115.7
39G26.6Very low31.4Very low66 Ų66139.4 Ų139.468%0.6879%0.794SS**  trans-176.4127160.700000115.4
40L28.8Very low30.9Very low168 Ų168139.7 Ų139.788%0.8880%0.802SS**  trans37.1152.3140.4-64167.5000121
41D29.8Very low30.3Very low111 Ų111138.9 Ų138.959%0.59480%0.801SS**  cis-157.3159.824.2-160.15.7000114
42Q33.2Very low30.3Very low154 Ų154136.8 Ų136.872%0.7280%0.798SS**  trans56.3147.8159.5-83170.181.100119.6
43K27.4Very low30.1Very low182 Ų182138.1 Ų138.179%0.79180%0.798SS**  cis-153.8142.231.2-161.5170.1-176.6172.70114.1
44K28.1Very low30.1Very low182 Ų182137 Ų13779%0.79179%0.793SS**  trans-16.2148.9155.4-83.4160168.9159.70116.2
45R27.2Very low30.1Very low232 Ų232137.6 Ų137.688%0.87579%0.792SS**  cis-162.7163.233.9-140.5169-168.8159.3-0.8111.1
46G27.1Very low30.5Very low79 Ų79138.4 Ų138.481%0.81479%0.789SS**  trans-76.7-171178.800000115.2
47G27.4Very low31Very low64 Ų64139.8 Ų139.866%0.6679%0.791SS**  cis165.1-160.32.300000112.9
48H30.9Very low31.6Very low200 Ų200137.4 Ų137.493%0.92679%0.786SS**  trans79139174.4-61.5-89.1000119.4
49K33.6Very low31.4Very low209 Ų209136.8 Ų136.891%0.90978%0.781SS**  trans-93.1148.7168.3-53.5168.7177.1178.80108.8
50A31.6Very low32Very low95 Ų95139.5 Ų139.579%0.78579%0.787SS**  165.9127.512400000114.3
51C27.1Very low32.2Very low117 Ų117139.2 Ų139.279%0.79179%0.786SS**  trans17.5130.2145.2-54.80000123.5
52C30.3Very low32.5Very low119 Ų119143.9 Ų143.980%0.80480%0.801SS**  trans72.9152.4144.3-56.30000117.9
53L30.2Very low32.9Very low147 Ų147142 Ų14277%0.7780%0.803SS**  cis-141.3151.221.2-76164.2000114.4
54L31.3Very low33.5Very low146 Ų146138.7 Ų138.776%0.76480%0.799SS**  trans37.2129139-60.2168.9000123.2
55T30Very low34.1Very low134 Ų134136 Ų13682%0.82280%0.8SS**  159169.1111.1450000110.8
56P39.7Very low34.4Very low110 Ų110134.2 Ų134.271%0.71480%0.799SS**  -122.4171-60.838.2-23.8000112.5
57P38.5Very low34.8Very low122 Ų122141 Ų14179%0.79281%0.807SS**PPolyproline II helixtrans-85151-177.933.9-35.9000114.6
58P41.1Very low35.1Very low122 Ų122149.8 Ų149.879%0.79282%0.82SS**PPolyproline II helixtrans-79.1156169.232.8-34.2000113.1
59P40Very low35.1Very low113 Ų113144.2 Ų144.273%0.73482%0.817SS**PPolyproline II helixtrans-90.5165.7-169.936-36.7000115.1
60P37.9Very low34.9Very low123 Ų123137.8 Ų137.880%0.79981%0.81SS**PPolyproline II helixtrans-79156.7-176.232.7-37.4000114.5
61L34.4Very low35Very low163 Ų163144.8 Ų144.885%0.85382%0.816SS**  trans-136.780.7177.3-73.7175.5000113
62F36.2Very low35.5Very low208 Ų208144.7 Ų144.791%0.91282%0.816SS**  trans-140.3130.2155.3-87-71.6000109.6
63P41.3Very low36.3Very low116 Ų116144.5 Ų144.575%0.75381%0.814SS**PPolyproline II helixtrans-86.9141.7178.333.3-33.2000112.3
64P40.7Very low36.3Very low112 Ų112144.8 Ų144.873%0.72782%0.815SS**PPolyproline II helixtrans-83.7162176.434.5-35.9000113
65P38.7Very low36.3Very low125 Ų125145.4 Ų145.481%0.81282%0.818SS**PPolyproline II helixtrans-73.5159.4173.931.4-35.5000113.3
66F33.7Very low36.2Very low195 Ų195143.7 Ų143.786%0.85581%0.812SS**PPolyproline II helixtrans-77.3135.6-175.4-64-100000113.8
67F36Very low36.8Very low220 Ų220143.5 Ų143.597%0.96581%0.811SS**  trans-136.2156.8146.6-95.1-78.9000111.4
68R33Very low36.5Very low250 Ų250143.7 Ų143.794%0.94381%0.805SS**  trans-104.6134.9-165-80.1179167.2177.6-3.4113.9
69G31.1Very low36.1Very low83 Ų83145.1 Ų145.186%0.85680%0.803SS**  trans98136.2150.900000115.6
70G31.1Very low35.8Very low74 Ų74147.5 Ų147.576%0.76380%0.802SS**  cis168.2178-8.600000114.2
71R33Very low35.6Very low242 Ų242148.6 Ų148.691%0.91380%0.801SS**  trans77.3101.9171.4-65.1-173.7172.2-169.5-1.8119.5
72S37.7Very low35.4Very low114 Ų114148.9 Ų148.980%0.79780%0.802SS**  trans88.1154.3135.3-45.50000119.3
73P46.8Very low35.2Very low115 Ų115146 Ų14675%0.74780%0.795SS**  trans-129.3-147.9-152.944.6-26.7000114.3
74L31.1Very low34.7Very low153 Ų153147.8 Ų147.880%0.80180%0.798SS**  trans94.9136.8-177-53.9168.4000112.5
75L31Very low34.3Very low159 Ų159150.1 Ų150.183%0.83280%0.799SS**  cis-151.5178.91.7-118.8163.7000111.8
76S27.7Very low34Very low98 Ų98152 Ų15269%0.68580%0.801SS**  trans-146.8179.9-177.4-157.60000108.5
77P51.6Low33.9Very low107 Ų107151.5 Ų151.570%0.69580%0.801SS**  cis-107.2-127.2-16.823.22.4000109
78D33.3Very low33.6Very low125 Ų125147.9 Ų147.967%0.66880%0.798SS**  cis-164-177.2-7.6-139.6-7.4000106.7
79M32.7Very low33.3Very low153 Ų153140.4 Ų140.475%0.75478%0.784SS**  cis-149.9175.31.5-160.816759.600110.6
80K32.2Very low33.2Very low163 Ų163145.4 Ų145.471%0.70979%0.785SS**  trans-91.1154.8-178.1-47.4135.4-177169.40113.2
81N33.6Very low33.3Very low145 Ų145147.2 Ų147.278%0.77579%0.785SS**  151112.9113.8-80-36.3000115
82L30.6Very low33.8Very low169 Ų169140.7 Ų140.789%0.88577%0.774SS**  trans-170.1141.3145.7-131.172.3000104.6
83I32.1Very low33.3Very low148 Ų148140.2 Ų140.276%0.75977%0.77SS**  cis-136.816026.2-73.9161.7000110
84L31.9Very low32.7Very low154 Ų154143.1 Ų143.181%0.80678%0.776SS**  trans-122.4159.4167.7-165.873.8000109.4
85E31.5Very low33.2Very low160 Ų160144.9 Ų144.975%0.74878%0.78SS**  trans69.8136.3-179.5-51.6-171.8-176.600113.8
86L33.4Very low33.7Very low165 Ų165140.6 Ų140.686%0.86477%0.774SS**  cis-129.3142.534.2-81.9147.9000114.5
87E30.4Very low34.5Very low185 Ų185141.6 Ų141.686%0.86478%0.781SS**  trans-96.6132.7168.2-63.4-173.5124.800112
88T28.8Very low34.1Very low144 Ų144144.9 Ų144.988%0.88379%0.792SS**  trans-178.4143.3145.113.30000108.7
89S28.2Very low34.9Very low93 Ų93142.2 Ų142.265%0.6579%0.794SS**  cis-153.41524.862.40000112.9
90Q29.3Very low36.3Very low188 Ų188140.1 Ų140.188%0.87979%0.794SS**  trans70.7109.9153.2-68.3172.86.800120
91S33.3Very low38Very low111 Ų111138.4 Ų138.478%0.77680%0.8SS**  trans-74.9-173.8152.560.70000110.4
92P43.5Very low39.5Very low105 Ų105134.5 Ų134.568%0.68279%0.794SS**  cis-142.8-158.214.441.6-18.7000116
93C25.2Very low41.5Very low105 Ų105132.1 Ų132.171%0.70979%0.789SS**  trans77.5136170.9-62.40000116.5
94M35.7Very low43.5Very low175 Ų175131.1 Ų131.186%0.86279%0.792SS**  cis-145.4157.8-5.8-109-60.9167.700110.7G96M94-G96 PolarHBondContact O-N 2.95Å
95Q41.5Very low45.2Very low191 Ų191126.9 Ų126.989%0.89379%0.785SS**  trans-85.1104.1-172.8-170.9174.48.900112.3
96G41Very low46.9Very low69 Ų69125.4 Ų125.471%0.71179%0.79SS**PPolyproline II helixtrans-77.1137.4171.900000112.4M94M94-G96 PolarHBondContact O-N 2.95Å
97S44.2Very low48.9Very low119 Ų119126.7 Ų126.783%0.83279%0.791SS**PPolyproline II helixtrans-70144.1177.848.50000112.4G99S97-G99 PolarHBondContact O-N 3.17Å
98L44.4Very low50.4Low175 Ų175120.5 Ų120.592%0.91678%0.778SS**PPolyproline II helixtrans-61.4121.7171.6-124.278.1000109.8
99G50.2Low52.1Low70 Ų70119.5 Ų119.572%0.72277%0.773SS**PPolyproline II helixtrans-66.7131.7169.700000110.5S97S97-G99 PolarHBondContact O-N 3.17Å
100S61.4Low54.1Low108 Ų108121 Ų12176%0.75578%0.781SS**PPolyproline II helixtrans-60.4144.217354.40000111.1G102S100-G102 PolarHBondContact O-N 3.45Å
101P67.8Low55.5Low127 Ų127115.6 Ų115.683%0.82578%0.776SS**PPolyproline II helixtrans-51.4136.9174.3-27.135.2000112.3
102G65.1Low56.3Low64 Ų64118.2 Ų118.266%0.6678%0.78SS**PPolyproline II helixtrans-62.4150.717800000112.1S100S100-G102 PolarHBondContact O-N 3.45Å
103P72.2Confident57.2Low119 Ų119118.9 Ų118.977%0.77379%0.785SS**PPolyproline II helixtrans-61.8149.2178.127.2-34.9000111.1G105P103-G105 PolarHBondContact O-N 2.97Å
104P74.8Confident58.5Low126 Ų126117.5 Ų117.582%0.81879%0.788SS**PPolyproline II helixtrans-53138.9173.4-26.135000111.8
105G66.6Low59Low65 Ų65118.9 Ų118.967%0.6779%0.789SS**PPolyproline II helixtrans-58.9147.2178.100000112P103P103-G105 PolarHBondContact O-N 2.97Å
106P67.9Low59.6Low129 Ų129116.5 Ų116.584%0.83879%0.787SS**PPolyproline II helixtrans-60.3140.2-178.726-34.6000111G108P106-G108 PolarHBondContact O-N 3.43Å
107Q74.5Confident59.9Low192 Ų192115.9 Ų115.990%0.89778%0.782SS**PPolyproline II helixtrans-58.5130.9176.6-172.7174.38.700110.1
108G63.6Low60.1Low56 Ų56116.3 Ų116.358%0.57778%0.781SS**PPolyproline II helixtrans-58.2146.9179.500000112.1P106P106-G108 PolarHBondContact O-N 3.43Å
109P63.1Low60.5Low122 Ų122117.6 Ų117.679%0.79278%0.779SS**PPolyproline II helixtrans-61.3147.5-177.726.3-34.8000111.3G111P109-G111 PolarHBondContact O-N 2.89Å
110P71.6Confident60.3Low126 Ų126117.7 Ų117.782%0.81878%0.78SS**PPolyproline II helixtrans-53.6139.1175-26.434.9000112.1L112P110-L112 PolarHBondContact O-N 3.48Å
111G57.4Low59.6Low74 Ų74121.7 Ų121.776%0.76379%0.787SS**PPolyproline II helixtrans-56.9134.117800000111.7P109P109-G111 PolarHBondContact O-N 2.89Å
112L50.6Low58.8Low165 Ų165125.5 Ų125.586%0.86479%0.791SS**PPolyproline II helixtrans-58.7135.8179.9-69.8171.8000110.6P110 G114P110-L112 PolarHBondContact O-N 3.48Å; L112-G114 PolarHBondContact O-N 2.78Å
113P63.4Low57.9Low120 Ų120125.7 Ų125.778%0.77979%0.793SS**PPolyproline II helixtrans-53.8133.6175.7-27.635.3000112K115P113-K115 PolarHBondContact O-N 2.7Å
114G50.9Low56.7Low75 Ų75127.1 Ų127.177%0.77379%0.789SS**PPolyproline II helixtrans-56.7126.7178.100000111L112 T116L112-G114 PolarHBondContact O-N 2.78Å; G114-T116 PolarHBondContact O-N 3.06Å
115K46.4Very low55.5Low204 Ų204129.1 Ų129.189%0.88779%0.792SS**PPolyproline II helixtrans-62.3122.5-179.9-65.8-177.5-179.4179.30109.5P113 G117P113-K115 PolarHBondContact O-N 2.7Å; K115-G117 PolarHBondContact O-N 2.84Å
116T55.3Low54.4Low141 Ų141129.2 Ų129.287%0.86579%0.793SS**PPolyproline II helixtrans-52.9125.3172.8-48.60000109.6G114G114-T116 PolarHBondContact O-N 3.06Å
117G46.8Very low53.6Low57 Ų57132.3 Ų132.359%0.58879%0.788SS**PPolyproline II helixtrans-58.2147.2-177.900000112.2K115 K119K115-G117 PolarHBondContact O-N 2.84Å; G117-K119 PolarHBondContact O-N 3.19Å
118P47.9Very low53.1Low127 Ų127129.2 Ų129.283%0.82579%0.785SS**PPolyproline II helixtrans-59.5133.7178.925.8-33.9000110.2G120P118-G120 PolarHBondContact O-N 3.19Å; P118-G120 VanDerWaalsContact O-N 3.1Å
119K53Low52.6Low202 Ų202130.2 Ų130.288%0.87880%0.795SS**  trans-61.1115.3174.7-178.1179.1-179.2178.20108.5G117 E121G117-K119 PolarHBondContact O-N 3.19Å; K119-E121 PolarHBondContact O-N 2.95Å
120G46.3Very low52.1Low72 Ų72136.1 Ų136.174%0.74280%0.802SS**  trans-50.1132-172.500000113.2P118P118-G120 PolarHBondContact O-N 3.19Å; P118-G120 VanDerWaalsContact O-N 3.1Å
121E46.3Very low51.6Low192 Ų192140 Ų14090%0.89781%0.805SS**  trans-65.9140.9-177-62.7-169.5140.500111.3K119 G123K119-E121 PolarHBondContact O-N 2.95Å; E121-G123 PolarHBondContact O-N 2.82Å; E121-G123 VanDerWaalsContact O-N 3.1Å
122K51.2Low51.6Low207 Ų207139.5 Ų139.590%0.980%0.801SS**  trans-73.9103.7175.4-177.3-178.5174.3-178.60108.2
123G46.5Very low51.8Low68 Ų68143.1 Ų143.170%0.70180%0.803SS**PPolyproline II helixtrans-47.4137.8-172.600000114.5E121E121-G123 PolarHBondContact O-N 2.82Å; E121-G123 VanDerWaalsContact O-N 3.1Å
124E45.9Very low52.1Low149 Ų149143.4 Ų143.470%0.69681%0.805SS**PPolyproline II helixtrans-56.1139.8-179.5-71.8-155.1150.300111.5G126 R127E124-G126 PolarHBondContact O-N 2.86Å; E124-R127 IonicContact OE1-NH2 3.44Å; E124-R127 PolarHBondContact OE1-NH2 2.83Å; E124-R127 IonicContact OE2-CZ 2.7Å; E124-R127 IonicContact OE2-NE 2.84Å; E124-R127 PolarHBondContact OE2-NE 2.87Å; E124-R127 IonicContact OE2-NH2 3.11Å; E124-R127 PolarHBondContact OE2-NH2 2.91Å; E124-R127 VanDerWaalsContact OE2-NH2 3.11Å
125L49.3Very low52.6Low168 Ų168142.9 Ų142.988%0.8880%0.799SS**PPolyproline II helixtrans-65.6117168.5-177.267.1000108.9R127L125-R127 PolarHBondContact O-N 2.88Å
126G44.7Very low53.2Low68 Ų68139 Ų13970%0.70180%0.795SS**PPolyproline II helixtrans-50.2120.8-174.800000112.9E124E124-G126 PolarHBondContact O-N 2.86Å
127R50.8Low53.8Low194 Ų194138.3 Ų138.373%0.73279%0.793SS**PPolyproline II helixtrans-63.5131.1-174.7-59.5-178.4-169.5-159.4-0.5110.2E124 L125 G129E124-R127 IonicContact OE1-NH2 3.44Å; E124-R127 PolarHBondContact OE1-NH2 2.83Å; E124-R127 IonicContact OE2-CZ 2.7Å; E124-R127 IonicContact OE2-NE 2.84Å; E124-R127 PolarHBondContact OE2-NE 2.87Å; E124-R127 IonicContact OE2-NH2 3.11Å; E124-R127 PolarHBondContact OE2-NH2 2.91Å; E124-R127 VanDerWaalsContact OE2-NH2 3.11Å; L125-R127 PolarHBondContact O-N 2.88Å; R127-G129 PolarHBondContact O-N 3.35Å
128P64.2Low54.5Low126 Ų126139.1 Ų139.182%0.81880%0.802SS**PPolyproline II helixtrans-54132.4177.5-28.335.5000112.3R130P128-R130 PolarHBondContact O-N 2.88Å
129G53.9Low55Low77 Ų77139.5 Ų139.579%0.79480%0.801SS**PPolyproline II helixtrans-57.1130.5-176.100000112.3R127 K131R127-G129 PolarHBondContact O-N 3.35Å; G129-K131 PolarHBondContact O-N 2.92Å
130R52Low55.5Low247 Ų247135.7 Ų135.793%0.93280%0.797SS**PPolyproline II helixtrans-62.8122.5177.5-78.7-177.3165.9-177-4.5110P128 G132P128-R130 PolarHBondContact O-N 2.88Å; R130-G132 PolarHBondContact O-N 2.87Å
131K61.8Low56.1Low206 Ų206135.9 Ų135.990%0.89680%0.799SS**PPolyproline II helixtrans-55.6127.4172.4-170.8177.8-177.6-1790109.4G129G129-K131 PolarHBondContact O-N 2.92Å
132G55.8Low56.3Low65 Ų65135.2 Ų135.267%0.6780%0.798SS**PPolyproline II helixtrans-56.6144.8179.600000112.1R130R130-G132 PolarHBondContact O-N 2.87Å
133R56Low56.8Low240 Ų240131.4 Ų131.491%0.90679%0.794SS**PPolyproline II helixtrans-64.9142.8172.7-65.1-174.2179.2-160.90.2109.1
134P68.3Low57.5Low127 Ų127131.2 Ų131.283%0.82579%0.793SS**PPolyproline II helixtrans-54.2141.6166.7-23.234000110.5
135G62.1Low57.9Low63 Ų63130.2 Ų130.265%0.64980%0.799SS**PPolyproline II helixtrans-63.6154.4171.500000111.2
136P59.8Low58.2Low122 Ų122130 Ų13079%0.79280%0.797SS**PPolyproline II helixtrans-61150.2173.728-34.7000110.6G138P136-G138 PolarHBondContact O-N 3Å
137P67.3Low58.6Low127 Ų127130 Ų13083%0.82580%0.796SS**PPolyproline II helixtrans-55.1137.6171-23.934.4000111.1
138G61.4Low58.5Low75 Ų75132.2 Ų132.277%0.77381%0.805SS**PPolyproline II helixtrans-62.3136.7174.500000111P136P136-G138 PolarHBondContact O-N 3Å
139V57.8Low58.1Low135 Ų135132.1 Ų132.182%0.81880%0.804SS**PPolyproline II helixtrans-62.9140.7175.6-70.10000110.7G141V139-G141 PolarHBondContact O-N 3.38Å
140P63.4Low58Low122 Ų122131.7 Ų131.779%0.79280%0.8SS**PPolyproline II helixtrans-57.4132.8173.3-24.734.7000111.2M142P140-M142 PolarHBondContact O-N 2.75Å
141G60.3Low57.9Low76 Ų76126 Ų12678%0.78480%0.795SS**PPolyproline II helixtrans-64132.6176.200000111.3V139V139-G141 PolarHBondContact O-N 3.38Å
142M50.8Low57.3Low178 Ų178125.7 Ų125.788%0.87780%0.797SS**PPolyproline II helixtrans-65.1142.9174.7-67.9177.566.600110.5P140 G144P140-M142 PolarHBondContact O-N 2.75Å; M142-G144 PolarHBondContact O-N 3.21Å
143P61.6Low56.7Low126 Ų126125.7 Ų125.782%0.81880%0.797SS**PPolyproline II helixtrans-56.6133.9171.3-24.334.5000111.3
144G60.8Low56.1Low65 Ų65120.5 Ų120.567%0.6779%0.794SS**PPolyproline II helixtrans-66.3146.3176.100000111.9M142M142-G144 PolarHBondContact O-N 3.21Å
145P54.8Low54.8Low128 Ų128126.2 Ų126.283%0.83180%0.799SS**PPolyproline II helixtrans-64.9149.7176.528.5-34.9000111.3G147P145-G147 PolarHBondContact O-N 3.19Å
146I55.8Low54.1Low164 Ų164126.8 Ų126.884%0.84181%0.806SS**PPolyproline II helixtrans-65.6126.3177.9-63.4170.9000109.2
147G52.5Low53.3Low66 Ų66130.7 Ų130.768%0.6881%0.813SS**PPolyproline II helixtrans-71.8140.5178.100000112.5P145P145-G147 PolarHBondContact O-N 3.19Å
148W48.3Very low52Low242 Ų242133.6 Ų133.692%0.91781%0.813SS**PPolyproline II helixtrans-76.3147.8174.6-68.776.5000111.1G150W148-G150 PolarHBondContact O-N 2.88Å
149P56.7Low51.2Low123 Ų123133.4 Ų133.480%0.79981%0.811SS**PPolyproline II helixtrans-59.6130.7173.2-22.934.1000111.8
150G50.2Low50.3Low68 Ų68134 Ų13470%0.70181%0.81SS**PPolyproline II helixtrans-78.9147.6178.600000112.9W148W148-G150 PolarHBondContact O-N 2.88Å
151P50Low49Very low128 Ų128136.6 Ų136.683%0.83182%0.816SS**PPolyproline II helixtrans-71.1159.8173.731-35.3000112.4
152E49.2Very low48.2Very low199 Ų199136.6 Ų136.693%0.9382%0.816SS**PPolyproline II helixtrans-69.1140.3-176.6-165.3167.9-164.700112.7
153G44.4Very low47.4Very low66 Ų66137.4 Ų137.468%0.6882%0.82SS**PPolyproline II helixtrans-96.8135.6-160.600000115.8
154P42.3Very low46.2Very low131 Ų131140.6 Ų140.685%0.85183%0.826SS**PPolyproline II helixtrans-77.8170.3169.832.3-34000113.3
155R42.2Very low45.7Very low246 Ų246140.9 Ų140.993%0.92883%0.829SS**PPolyproline II helixtrans-65.8134-167.7-162177.6-166.3163.62113.3
156G47.3Very low44.9Very low76 Ų76143.2 Ų143.278%0.78483%0.834SS**PPolyproline II helixtrans-76.2147.3-176.700000115.2
157E43Very low44.8Very low203 Ų203141.3 Ų141.395%0.94983%0.832SS**  trans-108.9177.2173.5-68.1-157.4117.900112.9
158K39.4Very low44.4Very low188 Ų188141.7 Ų141.782%0.81784%0.837SS**  trans-89.2128.8-165.6-176.5-169.4175.9-158.50111.3
159G44.5Very low44.2Very low71 Ų71136.2 Ų136.273%0.73284%0.835SS**  trans-80.9146.6178.300000114.2
160D38.2Very low43.8Very low149 Ų149141.9 Ų141.980%0.79784%0.841SS**  trans-116.8168.9171.9-86-47.5000111.9
161L36.8Very low43.7Very low175 Ų175141.4 Ų141.492%0.91684%0.836SS**  trans-80.2145.3-165.5-72.3119.7000114.8
162G44.7Very low44Very low77 Ų77141.6 Ų141.679%0.79484%0.837SS**  trans-89.8177.3-177.600000115.9
163M32.9Very low43.7Very low195 Ų195140.9 Ų140.996%0.96184%0.836SS**PPolyproline II helixtrans-102.8167.1179.3-70.6-166.6-71.300113.8
164M37.2Very low43.6Very low192 Ų192141.2 Ų141.295%0.94684%0.839SS**PPolyproline II helixtrans-50.4143.6-177.1-94.5169.6-82.500115.7
165G48.5Very low43.9Very low71 Ų71140.8 Ų140.873%0.73284%0.839SS**PPolyproline II helixtrans-95.7152.8164.300000112.8
166L39.1Very low44Very low178 Ų178138 Ų13893%0.93283%0.834SS**PPolyproline II helixtrans-83.6149.6173.8-76.6161000111.7
167P53Low43.7Very low123 Ų123137.7 Ų137.780%0.79983%0.831SS**PPolyproline II helixtrans-93.3131.7-158.8-828.5000115.9
168G45.2Very low43.6Very low75 Ų75137.9 Ų137.977%0.77382%0.824SS**  trans26114.5148.200000121.2
169S42.8Very low43.9Very low127 Ų127134.7 Ų134.789%0.88882%0.823SS**PPolyproline II helixtrans-70.7147.7156.855.30000111.8
170R48.4Very low44Very low242 Ų242135.3 Ų135.391%0.91383%0.829SS**PPolyproline II helixtrans-79123.5-173.7-177.3175.3-180158.2-1.7111.6
171G48.7Very low44.2Very low58 Ų58133.7 Ų133.760%0.59883%0.83SS**PPolyproline II helixtrans-65.1153.2179.600000114.4
172P56.6Low44.5Very low132 Ų132136.9 Ų136.986%0.85783%0.829SS**PPolyproline II helixtrans-69.9142.8178.729.4-34.9000112.1
173M42.3Very low44.5Very low184 Ų184136.7 Ų136.791%0.90683%0.828SS**PPolyproline II helixtrans-77138.4172.2-166.2172-72.600110.1
174G43.4Very low44.9Very low73 Ų73136.8 Ų136.875%0.75383%0.826SS**PPolyproline II helixtrans-66.7156.1-162.400000116.6
175S46.9Very low45.2Very low122 Ų122137.2 Ų137.285%0.85382%0.822SS**PPolyproline II helixtrans-72.3144.8173.145.50000112.2
176K44.8Very low45Very low186 Ų186137.1 Ų137.181%0.80982%0.822SS**PPolyproline II helixtrans-74.2126177.8-164.6175.8-174.9178.90109.9
177G42.1Very low44.9Very low70 Ų70134.6 Ų134.672%0.72282%0.819SS**PPolyproline II helixtrans-65.9149.5-173.300000114.8
178Y40.8Very low44.3Very low208 Ų208140.2 Ų140.282%0.81682%0.824SS**  trans-132.9167.4172.9-84.4-77.1000109.4
179P45.1Very low44.6Very low120 Ų120139.6 Ų139.678%0.77982%0.818SS**  trans-64.7144.8-147.1-26.535.1000116.2S181P179-S181 PolarHBondContact O-N 3.46Å; P179-S181 VanDerWaalsContact O-N 3.12Å
180G47.3Very low44.7Very low85 Ų85142.9 Ų142.988%0.87682%0.819SS**  trans-66.2108176.200000112.2
181S42.3Very low44.3Very low114 Ų114140.5 Ų140.580%0.79782%0.815SS**PPolyproline II helixtrans-72.1144.4164.646.30000110.7P179 G183P179-S181 PolarHBondContact O-N 3.46Å; P179-S181 VanDerWaalsContact O-N 3.12Å; S181-G183 PolarHBondContact O-N 3.06Å
182R43.6Very low44.3Very low242 Ų242140.6 Ų140.691%0.91382%0.816SS**PPolyproline II helixtrans-51.1121178.3-174.4-177.2-165.6163.82.1110.7E184R182-E184 PolarHBondContact O-N 2.74Å
183G44Very low43.9Very low74 Ų74141.9 Ų141.976%0.76382%0.816SS**PPolyproline II helixtrans-59.8124.4-177.100000112.6S181S181-G183 PolarHBondContact O-N 3.06Å
184E41Very low43.8Very low196 Ų196141.5 Ų141.592%0.91682%0.817SS**PPolyproline II helixtrans-75.9157.7169-77.1-161111.900111.9R182R182-E184 PolarHBondContact O-N 2.74Å
185K42.5Very low44.1Very low201 Ų201141 Ų14187%0.87481%0.812SS**PPolyproline II helixtrans-73.1125.3-173.6-175.9177.6-178179.90109.9S187K185-S187 PolarHBondContact O-N 3.34Å
186G44.7Very low44.2Very low70 Ų70141.6 Ų141.672%0.72281%0.813SS**PPolyproline II helixtrans-53134.6177.700000112.3
187S38.5Very low44.3Very low124 Ų124141.1 Ų141.187%0.86781%0.81SS**PPolyproline II helixtrans-61.1140.9170.741.60000110.1K185K185-S187 PolarHBondContact O-N 3.34Å
188R39.4Very low44.5Very low241 Ų241141 Ų14191%0.90981%0.81SS**PPolyproline II helixtrans-68.4137.3-174.7-173.1-178.4174161.7-1.3110.2
189G50.8Low44.4Very low62 Ų62139 Ų13964%0.63981%0.808SS**  trans-65.2-178.6169.300000113.3
190E44.4Very low44.4Very low196 Ų196142.9 Ų142.992%0.91681%0.812SS**  trans-64167.4-166.9-63.4-179.2119.800115.3G192E190-G192 PolarHBondContact O-N 3.16Å; E190-G192 VanDerWaalsContact O-N 3.08Å
191K40.6Very low43.9Very low193 Ų193142 Ų14284%0.83980%0.804SS**  trans-71.996-175.3-179.2-164.7173.6-166.50111.2
192G49.8Very low43.9Very low60 Ų60146 Ų14662%0.61981%0.807SS**  trans-70.5156.9160.400000112.5E190E190-G192 PolarHBondContact O-N 3.16Å; E190-G192 VanDerWaalsContact O-N 3.08Å
193D47.7Very low44.4Very low159 Ų159139.8 Ų139.885%0.8580%0.798SS**  trans-70.8168.9-174.5-68-64.4000115.3G195D193-G195 PolarHBondContact O-N 3.21Å; D193-G195 VanDerWaalsContact O-N 3.15Å
194L39.9Very low44.1Very low175 Ų175139.8 Ų139.892%0.91680%0.798SS**  trans-72.5103-174.3-117.975.1000112.6
195G50.8Low44.2Very low63 Ų63139.7 Ų139.765%0.64980%0.795SS**PPolyproline II helixtrans-82140.3157.700000111.5D193D193-G195 PolarHBondContact O-N 3.21Å; D193-G195 VanDerWaalsContact O-N 3.15Å
196P48.1Very low45Very low135 Ų135136 Ų13688%0.87779%0.792SS**PPolyproline II helixtrans-71165.6-179.727.8-33.8000114.2
197K47.6Very low44.7Very low175 Ų175136.1 Ų136.176%0.76179%0.792SS**PPolyproline II helixtrans-67.7137.6-163.2-178.5-169.7170.8-154.20115.3E199K197-E199 WeakPolarHBondContact CE-OE1 3.39Å; K197-E199 IonicContact NZ-OE1 2.62Å; K197-E199 PolarHBondContact NZ-OE1 3.49Å
198G45.1Very low44.6Very low68 Ų68139 Ų13970%0.70180%0.795SS**  trans-129.6161.3157.900000110.6
199E39.5Very low44.9Very low166 Ų166135.7 Ų135.778%0.77679%0.794SS**  trans-104.3-169.6-163-56.6-150.4133.700116.2K197K197-E199 WeakPolarHBondContact CE-OE1 3.39Å; K197-E199 IonicContact NZ-OE1 2.62Å; K197-E199 PolarHBondContact NZ-OE1 3.49Å
200K44.3Very low44.6Very low201 Ų201135.3 Ų135.387%0.87479%0.789SS**  trans-106.1133.9-149177.8-173.7178.6-174.80113.9
201G38.2Very low44.2Very low68 Ų68134.9 Ų134.970%0.70179%0.788SS**  trans-159138.516900000113.5
202F40.4Very low44.2Very low197 Ų197134.6 Ų134.686%0.86479%0.786SS**  trans-155.8167.1-179-86-79.1000107.7
203P54.7Low43.9Very low111 Ų111135.4 Ų135.472%0.72180%0.795SS**  cis-129.5-172.7-21.938.4-21.6000112.8
204G37.4Very low43.8Very low74 Ų74137.6 Ų137.676%0.76380%0.8SS**  trans-157.7136.6165.300000112.9
205F44.3Very low43.8Very low194 Ų194138.4 Ų138.485%0.85180%0.801SS**  trans-137.4-176.6179-76-81000108.4
206P58.4Low43.4Very low125 Ų125138.3 Ų138.381%0.81280%0.8SS**  -131.6175.4-62.939.8-25.2000112.9
207G38.5Very low43.8Very low71 Ų71138.4 Ų138.473%0.73280%0.801SS**  trans151.9156.6161.100000113.7
208M35.8Very low43.6Very low186 Ų186140.1 Ų140.192%0.91681%0.809SS**  cis-152.7152.9-15.4-118-178.371.200109.1
209L46.4Very low43.4Very low171 Ų171140.2 Ų140.290%0.89581%0.809SS**  trans-76.9139.4166.5-169.774.3000107.8
210G44Very low44Very low53 Ų53141.8 Ų141.855%0.54682%0.817SS.*  cis142.8167.58.600000107.6
211Q37.3Very low44Very low188 Ų188138.4 Ų138.488%0.87982%0.815SS**  trans-176.8136.4154.3-111.1177.482.800117.7
212K40.3Very low44Very low187 Ų187138.5 Ų138.581%0.81382%0.816SS**  42.695.3128.2-165.4-178.6178.9-175.70121
213G43.2Very low44.5Very low77 Ų77137.8 Ų137.879%0.79482%0.819SS**  67.8115.2114.500000120.2
214E46.1Very low43.8Very low204 Ų204137.3 Ų137.395%0.95383%0.825SS**  trans-94.2159.6172.9-62.7-170.7133.600113.4
215M39.4Very low44Very low192 Ų192137.1 Ų137.195%0.94682%0.823SS**  trans-117.8169.4-178.6-171.4156.456.700110.4
216G43.3Very low44.4Very low61 Ų61137.7 Ų137.763%0.62983%0.828SS**  trans-56.5163.8-163.400000118.1
217P55.3Low43.7Very low138 Ų138143.5 Ų143.590%0.89683%0.834SS**  trans-70.6151-162.328.8-36.9000114.6
218K44.4Very low44.2Very low211 Ų211143.2 Ų143.292%0.91783%0.831SS**  trans-110.6141.5169.7-165.1174.3-178.6-179.20109.3
219G40.1Very low44.7Very low69 Ų69140.8 Ų140.871%0.71183%0.829SS**  trans-73.8171.3-161.700000117.7
220E51.4Low45Very low200 Ų200139.3 Ų139.394%0.93583%0.827SS**  trans-64.9131.2-176.3-54.5177.4143.300112.9
221P44.8Very low45Very low129 Ų129140 Ų14084%0.83883%0.834SS**  -143.5160.2111.537.4-24.4000112.7
222G38.5Very low45.3Very low71 Ų71142.4 Ų142.473%0.73284%0.835SS**  cis-167.5178.9-1.300000110.3
223I50.9Low46.5Very low181 Ų181139.5 Ų139.593%0.92884%0.835SS**  trans-91.5110.7-164.7-53.4172.2000113.7
224A40.9Very low46.7Very low102 Ų102139.5 Ų139.584%0.84384%0.835SS**  trans-167.3138.414900000109.8
225G41Very low46.4Very low70 Ų70139.8 Ų139.872%0.72283%0.833SS**  cis-159.4172.9-500000110.9
226H52.8Low47.2Very low205 Ų205142.2 Ų142.295%0.94983%0.832SS**  trans-68.3134.8-169.9-61.2-79.2000114.2
227R44.2Very low47.4Very low248 Ų248142.9 Ų142.994%0.93684%0.839SS**  trans-145104.4168.2-170.1175.3-174.3168.52.8113.1
228G47.7Very low46.9Very low65 Ų65146.5 Ų146.567%0.6784%0.841SS**  trans76.4116.9159.200000116.7
229P47.6Very low47Very low134 Ų134145.7 Ų145.787%0.8784%0.84SS**PPolyproline II helixtrans-67.7140164.329.8-33.4000110.4
230T52.3Low47.2Very low140 Ų140146 Ų14686%0.85984%0.844SS**PPolyproline II helixtrans-55138.3-179.9-50.20000112R232T230-R232 PolarHBondContact O-N 3.09Å
231G44.2Very low47.1Very low67 Ų67146.3 Ų146.369%0.69185%0.845SS**PPolyproline II helixtrans-55.9135.5-17900000112.9
232R43.9Very low47.3Very low240 Ų240150 Ų15091%0.90685%0.848SS**PPolyproline II helixtrans-65135.6179.3-67.3176.7175.3169.2-2.9110.7T230T230-R232 PolarHBondContact O-N 3.09Å
233P63.9Low47.7Very low125 Ų125150 Ų15081%0.81285%0.848SS**PPolyproline II helixtrans-54.5150.2167-26.435.5000112.6
234G48Very low47.7Very low77 Ų77149.2 Ų149.279%0.79485%0.845SS**PPolyproline II helixtrans-59.7142.5-179.500000113.1R236G234-R236 PolarHBondContact O-N 2.89Å
235K40.6Very low48.1Very low211 Ų211150.1 Ų150.192%0.91785%0.845SS**PPolyproline II helixtrans-66.7123-179.7-63.3173-177.71710110.5
236R56Low48.5Very low242 Ų242150.5 Ų150.591%0.91385%0.85SS**PPolyproline II helixtrans-68.9144.6161.3-158.7174.5-168.3176.93.6109.1G234G234-R236 PolarHBondContact O-N 2.89Å
237G47.1Very low48.3Very low76 Ų76147.6 Ų147.678%0.78485%0.846SS**PPolyproline II helixtrans-59.8147.7177.900000112.7
238K44.8Very low48.6Very low213 Ų213144.3 Ų144.393%0.92684%0.843SS**PPolyproline II helixtrans-89.2141.5179.8-67-174.3176.2-172.70111.8
239Q46.8Very low49.2Very low195 Ų195143.5 Ų143.591%0.91184%0.835SS**  trans-149.6136.8149.4-170.3173.38.600109.7
240G43.3Very low49.7Very low76 Ų76143 Ų14378%0.78483%0.832SS**  trans69111.7164.800000117.6
241Q49.8Very low50.1Low206 Ų206142.3 Ų142.396%0.96383%0.83SS**  trans-86.5145.3154.8-78.7179.1-4900109.8
242K49.4Very low50.7Low207 Ų207142.5 Ų142.590%0.983%0.831SS**  trans-130.8140.1152.1-169173.7-178.9-179.30106.6
243G47.3Very low51.2Low70 Ų70140.6 Ų140.672%0.72283%0.83SS**  trans-63.6156.9-162.500000115.6
244D49.8Very low51Low165 Ų165140.7 Ų140.788%0.88283%0.83SS**  trans-68.3141.6-175.8-55.1-82.3000113.5
245S49.9Very low51.5Low120 Ų120139.9 Ų139.984%0.83982%0.822SS**  trans-109.6135159.5-70.20000108.4
246G49.5Very low52.2Low79 Ų79136.2 Ų136.281%0.81482%0.82SS**  trans-59.6143.3-165.500000115.4M248G246-M248 PolarHBondContact O-N 2.93Å; G246-M248 VanDerWaalsContact O-N 3.16Å
247V48.7Very low52.2Low144 Ų144130.5 Ų130.587%0.87382%0.817SS**  trans-69.5108.1174.4179.90000109.6G249V247-G249 PolarHBondContact O-N 2.82Å
248M50.6Low52.6Low178 Ų178129.9 Ų129.988%0.87781%0.811SS**PPolyproline II helixtrans-66.9124.4164.6-173.8167.662.500108.7G246G246-M248 PolarHBondContact O-N 2.93Å; G246-M248 VanDerWaalsContact O-N 3.16Å
249G60.1Low53Low48 Ų48128.8 Ų128.850%0.49581%0.809SS.*PPolyproline II helixtrans-62.1152.6-177.400000112.7V247V247-G249 PolarHBondContact O-N 2.82Å
250P58.1Low53.9Low125 Ų125125.4 Ų125.481%0.81280%0.804SS**PPolyproline II helixtrans-60.7134177.726.2-34000110.3G252P250-G252 PolarHBondContact O-N 2.88Å
251P59.5Low54.5Low125 Ų125125.1 Ų125.181%0.81280%0.801SS**PPolyproline II helixtrans-53137.6176.3-28.535.8000112.1
252G57.6Low54.8Low70 Ų70126.8 Ų126.872%0.72280%0.799SS**PPolyproline II helixtrans-57.2140.6177.800000111.3P250P250-G252 PolarHBondContact O-N 2.88Å
253K53.7Low55.4Low200 Ų200123 Ų12387%0.8780%0.795SS**PPolyproline II helixtrans-55.8130.7175-68.1-179.1178.9179.10109.1G255K253-G255 PolarHBondContact O-N 3.24Å
254P60.9Low56Low127 Ų127122.7 Ų122.783%0.82579%0.792SS**PPolyproline II helixtrans-52.2132.7172.7-27.735.5000110.8
255G58.2Low56.2Low61 Ų61120.8 Ų120.863%0.62979%0.788SS**PPolyproline II helixtrans-61.9151.1176.400000111.2K253 S257K253-G255 PolarHBondContact O-N 3.24Å; G255-S257 PolarHBondContact O-N 3.31Å
256P55.7Low56.9Low134 Ų134121.2 Ų121.287%0.8779%0.789SS**PPolyproline II helixtrans-59.5131.1173.726.8-33.8000109.4G258P256-G258 PolarHBondContact O-N 2.69Å
257S56.3Low57.2Low122 Ų122120.6 Ų120.685%0.85378%0.782SS**PPolyproline II helixtrans-59.5133.1178.2-164.10000110.1G255G255-S257 PolarHBondContact O-N 3.31Å
258G55.7Low57.3Low63 Ų63119.7 Ų119.765%0.64978%0.779SS**PPolyproline II helixtrans-60.5138.9-177.800000111.5P256P256-G258 PolarHBondContact O-N 2.69Å
259Q52.7Low57.4Low189 Ų189117.6 Ų117.688%0.88378%0.779SS**PPolyproline II helixtrans-62.3132.6172.9-66.1-175.38.500109.2G261Q259-G261 PolarHBondContact O-N 2.89Å
260P64.3Low56.7Low124 Ų124118.6 Ų118.681%0.80579%0.789SS**PPolyproline II helixtrans-54.3133.5175.7-27.835.7000111.5R262P260-R262 PolarHBondContact O-N 3.46Å
261G56.1Low56.2Low71 Ų71118.8 Ų118.873%0.73279%0.79SS**PPolyproline II helixtrans-57.8138.2177.300000111.1Q259Q259-G261 PolarHBondContact O-N 2.89Å
262R56.2Low56Low241 Ų241119 Ų11991%0.90979%0.792SS**PPolyproline II helixtrans-62.1133.9175.2-66.7-174.2178-148.8-0.9109.2P260 G264P260-R262 PolarHBondContact O-N 3.46Å; R262-G264 PolarHBondContact O-N 3.17Å
263P63.4Low55.3Low127 Ų127121.2 Ų121.283%0.82580%0.796SS**PPolyproline II helixtrans-54.1137.5174.7-2735.3000111.7
264G58.1Low54.9Low63 Ų63116.8 Ų116.865%0.64980%0.797SS**PPolyproline II helixtrans-65.9155173.600000111.7R262R262-G264 PolarHBondContact O-N 3.17Å
265P55.9Low54.1Low125 Ų125114.4 Ų114.481%0.81280%0.795SS**PPolyproline II helixtrans-62.3145.4174.327.8-34.4000110.7
266P64.1Low53.3Low130 Ų130120.9 Ų120.984%0.84481%0.809SS**PPolyproline II helixtrans-57.7139.6177.1-25.334.8000112.7
267G54.5Low52.7Low66 Ų66122.9 Ų122.968%0.6881%0.811SS**PPolyproline II helixtrans-69.2155.4172.900000112.5
268P51.1Low52.1Low125 Ų125125 Ų12581%0.81281%0.811SS**PPolyproline II helixtrans-67.2150.1178.528.8-34.9000112
269P53.7Low51.5Low134 Ų134130.5 Ų130.587%0.8782%0.822SS**PPolyproline II helixtrans-64.3137.6-179.5-21.933.7000113.6
270G45.6Very low51.7Low68 Ų68123.6 Ų123.670%0.70180%0.802SS**PPolyproline II helixtrans-87.9150.7170.800000112.9
271P47.3Very low51.4Low130 Ų130124 Ų12484%0.84481%0.805SS**PPolyproline II helixtrans-73.3158.1175.131.6-35.2000112.4
272P54.4Low51.2Low130 Ų130130.1 Ų130.184%0.84481%0.811SS**PPolyproline II helixtrans-96.8133.4-162.835.2-34.3000115.4
273S43.7Very low51.1Low116 Ų116121.7 Ų121.781%0.81180%0.799SS**  trans-163.7138.2150.559.30000113
274A44.6Very low50.9Low107 Ų107124.9 Ų124.988%0.88480%0.803SS**  trans59.791.515700000119.9
275G44.6Very low50.8Low76 Ų76133.5 Ų133.578%0.78482%0.816SS**  96.290.4123.300000120
276Q40.9Very low50.3Low198 Ų198130.4 Ų130.493%0.92581%0.807SS**  -159.8166.1128.4-115.8172.4-9.200111.7
277L43.3Very low49.6Very low175 Ų175133.7 Ų133.792%0.91681%0.808SS**  trans-79.7126.2-163.3-65165.5000113
278I43.5Very low49.4Very low166 Ų166136.5 Ų136.585%0.85181%0.814SS**  trans-93.1107.5163-62175.9000107.7G280I278-G280 PolarHBondContact O-N 3.39Å; I278-G280 VanDerWaalsContact O-N 3.17Å
279M44.4Very low48.8Very low179 Ų179133.4 Ų133.488%0.88281%0.805SS**  trans-66.5110.3167.2-179.5178.8175.900108.7
280G55.9Low48.4Very low45 Ų45132.8 Ų132.846%0.46480%0.801SS.*PPolyproline II helixtrans-64157.6175.400000112.1I278 K282I278-G280 PolarHBondContact O-N 3.39Å; I278-G280 VanDerWaalsContact O-N 3.17Å; G280-K282 PolarHBondContact O-N 3.04Å
281P57.3Low48.2Very low132 Ų132135.6 Ų135.686%0.85781%0.807SS**PPolyproline II helixtrans-57.6133173.126.1-33.9000109.9G283P281-G283 PolarHBondContact O-N 2.88Å; P281-G283 VanDerWaalsContact O-N 3.16Å
282K53.5Low47.6Very low200 Ų200132.7 Ų132.787%0.8780%0.801SS**PPolyproline II helixtrans-53.8121.5-178.9-177.1170.1-176165.30109.8G280G280-K282 PolarHBondContact O-N 3.04Å
283G54Low47Very low64 Ų64137.4 Ų137.466%0.6680%0.802SS**PPolyproline II helixtrans-55.7147.9-178.200000112.4P281P281-G283 PolarHBondContact O-N 2.88Å; P281-G283 VanDerWaalsContact O-N 3.16Å
284E58.6Low46.3Very low193 Ų193137.3 Ų137.390%0.90280%0.8SS**PPolyproline II helixtrans-57.9146.1176.9-62.7-171.2156.100110.7G286E284-G286 PolarHBondContact O-N 3.22Å
285R54.9Low46.1Very low245 Ų245139.9 Ų139.993%0.92580%0.798SS**PPolyproline II helixtrans-60.4116.7-178.3-174.5-171.7-63.3-172.5-1.1109
286G45.7Very low45.8Very low60 Ų60142.1 Ų142.162%0.61980%0.8SS**PPolyproline II helixtrans-52.2144.6175.500000111.7E284E284-G286 PolarHBondContact O-N 3.22Å
287F49.8Very low45.6Very low199 Ų199135.6 Ų135.687%0.87379%0.786SS**PPolyproline II helixtrans-55144.5176.3-67.4-80.9000110.5G289F287-G289 PolarHBondContact O-N 3.3Å
288P50.6Low45.5Very low124 Ų124132.7 Ų132.781%0.80578%0.778SS**PPolyproline II helixtrans-51126.9174.8-26.134.6000110.5
289G38.5Very low45.2Very low61 Ų61131.6 Ų131.663%0.62978%0.779SS**PPolyproline II helixtrans-57.3148.4177.700000110.9F287F287-G289 PolarHBondContact O-N 3.3Å
290P44.9Very low44.8Very low121 Ų121131.4 Ų131.479%0.78678%0.778SS**PPolyproline II helixtrans-56139.5173.925.9-34.1000109.3G292P290-G292 PolarHBondContact O-N 3.41Å
291P41.7Very low43.8Very low126 Ų126137 Ų13782%0.81880%0.797SS**PPolyproline II helixtrans-57125.4-17322.1-33.3000110.7R293P291-R293 PolarHBondContact O-N 2.94Å
292G35.5Very low43Very low69 Ų69136.8 Ų136.871%0.71179%0.793SS**PPolyproline II helixtrans-57.2121.7-174.100000111.7P290 C294P290-G292 PolarHBondContact O-N 3.41Å; G292-C294 PolarHBondContact O-N 2.95Å
293R40.4Very low42.1Very low229 Ų229135.1 Ų135.186%0.86479%0.794SS**  trans-75.9101.2170.4-81.8-173167.7-163-3.4109.2P291 L295P291-R293 PolarHBondContact O-N 2.94Å; R293-L295 PolarHBondContact O-N 2.8Å
294C30.2Very low41.2Very low114 Ų114139.3 Ų139.377%0.7780%0.801SS**  trans-62.8101.4167.4-57.30000109.5G292 C296G292-C294 PolarHBondContact O-N 2.95Å; C294-C296 PolarHBondContact O-N 2.82Å
295L40.4Very low40.8Very low161 Ų161135.1 Ų135.184%0.84379%0.791SS**  trans-79.357.1176.3-70.3174.8000111.1R293R293-L295 PolarHBondContact O-N 2.8Å
296C37.8Very low39.5Very low123 Ų123129.1 Ų129.183%0.83179%0.786SS**  trans-101.873.2-179.3-59.50000110.4C294C294-C296 PolarHBondContact O-N 2.82Å
297G36Very low39.5Very low61 Ų61137.7 Ų137.763%0.62980%0.802SS**SBendtrans175.5146.3174.600000112.7
298P41.9Very low39.3Very low114 Ų114131.1 Ų131.174%0.7479%0.79SS**  trans-69.1158.7177.230.2-35.2000111.8M300P298-M300 PolarHBondContact O-N 3.13Å; P298-M300 VanDerWaalsContact O-N 3.15Å
299T36.5Very low38.6Very low144 Ų144134.1 Ų134.188%0.88379%0.794SS**  trans-62.4111.9-174.450.90000112.7
300M36.8Very low38.5Very low174 Ų174136.8 Ų136.886%0.85780%0.802SS**  trans-90.8131166.8-75-66.3163.400110.6P298P298-M300 PolarHBondContact O-N 3.13Å; P298-M300 VanDerWaalsContact O-N 3.15Å
301N34.8Very low38.1Very low162 Ų162137.3 Ų137.387%0.86680%0.803SS**  trans-83.5147.4-175.2-146.9-5.3000110.8N303N301-N303 PolarHBondContact O-N 3Å
302V41.4Very low38Very low128 Ų128142 Ų14278%0.77681%0.806SS**  trans-80.6109.7-173.6179.30000111
303N34.2Very low37.7Very low165 Ų165142 Ų14288%0.88281%0.806SS**  trans-161146.9141.6-95.3-40.4000111.2N301N301-N303 PolarHBondContact O-N 3Å
304N34.6Very low37.7Very low153 Ų153137.4 Ų137.482%0.81881%0.806SS**  trans-91.8161.8-169.4-173.258.8000111.8
305P50.1Low38.3Very low105 Ų105137.7 Ų137.768%0.68281%0.809SS**  cis-124170.4-12.836.9-22.4000114.6
306S26.9Very low38.1Very low119 Ų119134.8 Ų134.883%0.83280%0.802SS**  trans-168.2160.8130.8-162.60000112.2
307Y47.2Very low38.3Very low239 Ų239133.3 Ų133.394%0.93779%0.791SS**  trans-101.296.4167.9-168.4-85.3000108.1
308G44.5Very low38.9Very low62 Ų62141 Ų14164%0.63980%0.801SS**  trans175.4151.3-179.500000115.8
309E36.8Very low39.3Very low187 Ų187138.3 Ų138.387%0.87478%0.782SS**  trans51.585.1157.6-59.4-170.9114.100119.4
310S35.3Very low40.1Very low116 Ų116136.6 Ų136.681%0.81177%0.774SS**  trans-77.9118.2147.358.20000109.9Y312S310-Y312 PolarHBondContact O-N 3.14Å
311V38.1Very low41.2Very low133 Ų133131.9 Ų131.981%0.80676%0.755SS**SBendtrans-76.380.1-171.3-173.20000112.7
312Y38.7Very low43.3Very low225 Ų225129.4 Ų129.488%0.88274%0.74SS**SBendtrans-146.6147.2159.8-89.9-80.3000109.8S310S310-Y312 PolarHBondContact O-N 3.14Å
313G30.1Very low45.3Very low68 Ų68126.1 Ų126.170%0.70172%0.715SS**  trans-65149.2-170.200000115.2S315G313-S315 PolarHBondContact O-N 2.79Å
314P40.2Very low47.7Very low133 Ų133121.9 Ų121.986%0.86470%0.695SS**SBendtrans-95.690.2-166.136.5-35.7000114.6
315S41Very low50.2Low119 Ų119114.9 Ų114.983%0.83266%0.658SS**  trans-167.345.8164.152.70000116.7G313G313-S315 PolarHBondContact O-N 2.79Å
316S37Very low51.7Low100 Ų100113.2 Ų113.270%0.69964%0.644SS**  trans-126104156.156.20000110.7R318S316-R318 PolarHBondContact O-N 3.06Å
317P42.8Very low54.5Low92 Ų92110 Ų11060%0.59762%0.617SS**  trans-71.194.517728.6-32000108.9V319P317-V319 PolarHBondContact O-N 3.12Å
318R49Very low56.3Low224 Ų224101.9 Ų101.985%0.84559%0.588SS**  trans-56.7105.4169.9-65.1-180-179.5179.4-0.9108.1S316 P320S316-R318 PolarHBondContact O-N 3.06Å; R318-P320 WeakPolarHBondContact O-CD 3.31Å; R318-P320 WeakPolarHBondContact O-CG 3.43Å; R318-P320 VanDerWaalsContact O-N 3.13Å
319V50.2Low58.3Low57 Ų57104.1 Ų104.135%0.34558%0.582SS.*  trans-64.4108.8170.9178.40000106.8P317 V321 I340P317-V319 PolarHBondContact O-N 3.12Å; V319-V321 PolarHBondContact O-N 2.88Å; V319-I340 HydrophobicContact CG1-CB 4.09Å; V319-I340 HydrophobicContact CG1-CD1 4.02Å; V319-I340 HydrophobicContact CG1-CG1 3.84Å; V319-I340 HydrophobicContact CG2-CD1 4.18Å; V319-I340 HydrophobicContact CG2-CG1 4.38Å
320P53Low60.6Low108 Ų10898 Ų9870%0.70155%0.553SS**  trans-77.9-27-162.8-1732.1000113.6R318R318-P320 WeakPolarHBondContact O-CD 3.31Å; R318-P320 WeakPolarHBondContact O-CG 3.43Å; R318-P320 VanDerWaalsContact O-N 3.13Å
321V59.6Low63Low75 Ų7592.4 Ų92.446%0.45551%0.514SS..  trans-151141.2-172.6178.80000108.7V319 F323V319-V321 PolarHBondContact O-N 2.88Å; V321-F323 HydrophobicContact CB-CE2 3.96Å; V321-F323 HydrophobicContact CB-CZ 3.97Å; V321-F323 HydrophobicContact CG1-CD1 4.3Å; V321-F323 HydrophobicContact CG1-CD2 4.34Å; V321-F323 HydrophobicContact CG1-CE1 4.07Å; V321-F323 HydrophobicContact CG1-CE2 4.1Å; V321-F323 HydrophobicContact CG1-CG 4.43Å; V321-F323 HydrophobicContact CG1-CZ 3.96Å
322I78.4Confident65.2Low110 Ų11092 Ų9256%0.56450%0.503SS*.EExtended strand (participates in β ladder)trans-94.3117.5162.3-61.5173.8000107.8I340I322-I340 WeakPolarHBondContact CA-O 3.29Å; I322-I340 HydrophobicContact CG1-CB 4.38Å; I322-I340 HydrophobicContact CG1-CG2 4.39Å; I322-I340 HydrophobicContact CG2-CG2 4.28Å
323F82.9Confident67.4Low58 Ų5889.2 Ų89.225%0.25449%0.491SS..EExtended strand (participates in β ladder)trans-83.7153.4176.1-63.4-86.9000110.9V321 L334 T336 A339 I340 A341 F342V321-F323 HydrophobicContact CB-CE2 3.96Å; V321-F323 HydrophobicContact CB-CZ 3.97Å; V321-F323 HydrophobicContact CG1-CD1 4.3Å; V321-F323 HydrophobicContact CG1-CD2 4.34Å; V321-F323 HydrophobicContact CG1-CE1 4.07Å; V321-F323 HydrophobicContact CG1-CE2 4.1Å; V321-F323 HydrophobicContact CG1-CG 4.43Å; V321-F323 HydrophobicContact CG1-CZ 3.96Å; F323-L334 HydrophobicContact CB-CD1 3.61Å; F323-L334 HydrophobicContact CB-CD2 4.33Å; F323-L334 HydrophobicContact CD1-CD1 4.48Å; F323-L334 HydrophobicContact CD1-CD2 3.68Å; F323-L334 HydrophobicContact CD2-CD1 4.46Å; F323-L334 HydrophobicContact CE1-CD2 4.16Å; F323-L334 HydrophobicContact CG-CD1 3.94Å; F323-L334 HydrophobicContact CG-CD2 3.95Å; F323-T336 HydrophobicContact CE2-CG2 4.22Å; F323-T336 HydrophobicContact CZ-CG2 3.92Å; F323-A339 HydrophobicContact CD2-CB 4.08Å; F323-A339 HydrophobicContact CE2-CB 3.9Å; F323-I340 PolarHBondContact N-O 2.9Å; F323-A341 HydrophobicContact CB-CB 4.09Å; F323-A341 CarbonylContact O-C 3.53Å; F323-A341 VanDerWaalsContact O-CA 3.31Å; F323-A341 WeakPolarHBondContact O-CA 3.48Å; F323-F342 PolarHBondContact O-N 3.02Å
324V85.5Confident69.9Low76 Ų7687.3 Ų87.346%0.46147%0.465SS..EExtended strand (participates in β ladder)trans-125.9119.2175.9179.30000108.5F342 R344V324-F342 HydrophobicContact CG1-CD1 4.4Å; V324-R344 HydrophobicContact CG1-CG 4Å; V324-R344 VanDerWaalsContact CG1-NE 3.31Å
325V86Confident71.5Confident7 Ų788.2 Ų88.24%0.04246%0.462CS..EExtended strand (participates in β ladder)trans-126.8150.4-173.8-70.80000111.2E330 L331 L334 A341 F342 R343 R344V325-E330 WeakPolarHBondContact CA-OE2 3.45Å; V325-E330 HydrophobicContact CB-CB 3.79Å; V325-E330 HydrophobicContact CG1-CB 3.82Å; V325-L331 HydrophobicContact CG2-CB 4.17Å; V325-L331 HydrophobicContact CG2-CD1 4.09Å; V325-L334 HydrophobicContact CG1-CD1 3.69Å; V325-L334 HydrophobicContact CG1-CG 4.28Å; V325-A341 HydrophobicContact CG2-CB 4.43Å; V325-F342 WeakPolarHBondContact CG2-O 3.35Å; V325-F342 PolarHBondContact N-O 3.19Å; V325-R343 HydrophobicContact CG2-CG 3.64Å; V325-R343 WeakPolarHBondContact O-CA 3.33Å; V325-R344 PolarHBondContact O-N 3.41Å
326N81.8Confident73.2Confident70 Ų7084.6 Ų84.637%0.37444%0.435SS..SBendtrans-90-22.8-174-53.8-63000113.2E330 R344 D345N326-E330 WeakPolarHBondContact CB-OE2 3.47Å; N326-E330 PolarHBondContact N-OE2 2.92Å; N326-E330 VanDerWaalsContact ND2-CD 3.3Å; N326-E330 PolarHBondContact ND2-OE1 2.9Å; N326-E330 PolarHBondContact ND2-OE2 2.81Å; N326-R344 WeakPolarHBondContact OD1-CD 3.48Å; N326-R344 PolarHBondContact OD1-NH1 3.38Å; N326-D345 WeakPolarHBondContact O-CB 3.44Å
327N85.7Confident74.8Confident52 Ų5287.9 Ų87.928%0.27844%0.44SS..SBendtrans-158.8178.9-174.660.445000112.1E329 E330 L331N327-E329 WeakPolarHBondContact OD1-CB 3.46Å; N327-E329 PolarHBondContact OD1-N 3.42Å; N327-E330 PolarHBondContact OD1-N 2.83Å; N327-L331 PolarHBondContact O-N 3.12Å
328Q85.7Confident75.9Confident68 Ų6886.8 Ų86.832%0.31843%0.429SS..Hα-helixtrans-64.1-36.9177.6-178.46414.700113.6E330 L331 E332Q328-E330 PolarHBondContact O-N 3.47Å; Q328-L331 WeakPolarHBondContact O-CB 3.48Å; Q328-L331 PolarHBondContact O-N 2.87Å; Q328-E332 HydrophobicContact CG-CG 4.44Å; Q328-E332 WeakPolarHBondContact CG-OE1 3.39Å; Q328-E332 PolarHBondContact NE2-OE1 3.03Å; Q328-E332 WeakPolarHBondContact O-CG 3.41Å; Q328-E332 PolarHBondContact O-N 2.93Å
329E86.1Confident77.3Confident109 Ų10976.2 Ų76.251%0.50939%0.389SS..Hα-helixtrans-65.2-40.1-179.7-54.5178.7-166.900112N327 L331 E332 R333N327-E329 WeakPolarHBondContact OD1-CB 3.46Å; N327-E329 PolarHBondContact OD1-N 3.42Å; E329-L331 VanDerWaalsContact C-N 3.33Å; E329-E332 PolarHBondContact O-N 3.43Å; E329-R333 VanDerWaalsContact CB-NH1 3.25Å; E329-R333 WeakPolarHBondContact O-CB 3.48Å; E329-R333 WeakPolarHBondContact O-CD 3.48Å; E329-R333 WeakPolarHBondContact O-CG 3.36Å; E329-R333 PolarHBondContact O-N 3.2Å; E329-R333 IonicContact OE2-CZ 3.77Å; E329-R333 IonicContact OE2-NH1 3.21Å; E329-R333 PolarHBondContact OE2-NH1 3.18Å; E329-R333 IonicContact OE2-NH2 3.5Å; E329-R333 PolarHBondContact OE2-NH2 3.01Å
330E85.6Confident78.9Confident57 Ų5775.2 Ų75.227%0.26638%0.382SS..Hα-helixtrans-66-37174-73.3179-161.100111.4V325 N326 N327 Q328 R333 L334V325-E330 WeakPolarHBondContact CA-OE2 3.45Å; V325-E330 HydrophobicContact CB-CB 3.79Å; V325-E330 HydrophobicContact CG1-CB 3.82Å; N326-E330 WeakPolarHBondContact CB-OE2 3.47Å; N326-E330 PolarHBondContact N-OE2 2.92Å; N326-E330 VanDerWaalsContact ND2-CD 3.3Å; N326-E330 PolarHBondContact ND2-OE1 2.9Å; N326-E330 PolarHBondContact ND2-OE2 2.81Å; N327-E330 PolarHBondContact OD1-N 2.83Å; Q328-E330 PolarHBondContact O-N 3.47Å; E330-R333 PolarHBondContact O-N 2.97Å; E330-L334 PolarHBondContact O-N 3.19Å
331L85Confident80.4Confident0 Ų070 Ų700%035%0.348CS..Hα-helixtrans-62-46.5173.1-172.965.7000111.2V325 N327 Q328 E329 R333 L334 A341 R343 Y350 W357V325-L331 HydrophobicContact CG2-CB 4.17Å; V325-L331 HydrophobicContact CG2-CD1 4.09Å; N327-L331 PolarHBondContact O-N 3.12Å; Q328-L331 WeakPolarHBondContact O-CB 3.48Å; Q328-L331 PolarHBondContact O-N 2.87Å; E329-L331 VanDerWaalsContact C-N 3.33Å; L331-R333 PolarHBondContact O-N 3.23Å; L331-L334 WeakPolarHBondContact O-CB 3.22Å; L331-L334 PolarHBondContact O-N 2.89Å; L331-A341 HydrophobicContact CD1-CB 3.42Å; L331-A341 VanDerWaalsContact CD1-CB 3.42Å; L331-R343 HydrophobicContact CB-CG 4.49Å; L331-R343 HydrophobicContact CD2-CG 4.28Å; L331-Y350 HydrophobicContact CD2-CD1 4.1Å; L331-Y350 HydrophobicContact CD2-CD2 4.18Å; L331-Y350 HydrophobicContact CD2-CG 3.89Å; L331-W357 HydrophobicContact CD1-CD2 3.52Å; L331-W357 VanDerWaalsContact CD1-CE2 3.46Å; L331-W357 HydrophobicContact CD1-CE3 3.75Å; L331-W357 HydrophobicContact CD1-CG 4.09Å; L331-W357 HydrophobicContact CD1-CH2 3.93Å; L331-W357 HydrophobicContact CD1-CZ2 3.7Å; L331-W357 HydrophobicContact CD1-CZ3 3.94Å; L331-W357 HydrophobicContact CD2-CB 4.03Å; L331-W357 HydrophobicContact CD2-CD2 4.15Å; L331-W357 HydrophobicContact CD2-CG 3.88Å; L331-W357 HydrophobicContact CG-CB 4.45Å; L331-W357 HydrophobicContact CG-CD2 3.76Å; L331-W357 HydrophobicContact CG-CE3 4.41Å; L331-W357 HydrophobicContact CG-CG 3.76Å; L331-W357 HydrophobicContact CG-CZ2 4.4Å; L331-W357 PolarHBondContact O-NE1 3.19Å
332E85.1Confident81.6Confident123 Ų12369.7 Ų69.758%0.57534%0.341SS*.Hα-helixtrans-66.8-34.7178.8-73.1171.6-171.500112.8Q328 E329 L334Q328-E332 HydrophobicContact CG-CG 4.44Å; Q328-E332 WeakPolarHBondContact CG-OE1 3.39Å; Q328-E332 PolarHBondContact NE2-OE1 3.03Å; Q328-E332 WeakPolarHBondContact O-CG 3.41Å; Q328-E332 PolarHBondContact O-N 2.93Å; E329-E332 PolarHBondContact O-N 3.43Å; E332-L334 PolarHBondContact O-N 3.2Å
333R85Confident82Confident167 Ų16765.2 Ų65.263%0.6332%0.317SS*.Hα-helixtrans-66.3-18.3174.9-74.5165.8-173.9132.910.3114.1E329 E330 L331 N335E329-R333 VanDerWaalsContact CB-NH1 3.25Å; E329-R333 WeakPolarHBondContact O-CB 3.48Å; E329-R333 WeakPolarHBondContact O-CD 3.48Å; E329-R333 WeakPolarHBondContact O-CG 3.36Å; E329-R333 PolarHBondContact O-N 3.2Å; E329-R333 IonicContact OE2-CZ 3.77Å; E329-R333 IonicContact OE2-NH1 3.21Å; E329-R333 PolarHBondContact OE2-NH1 3.18Å; E329-R333 IonicContact OE2-NH2 3.5Å; E329-R333 PolarHBondContact OE2-NH2 3.01Å; E330-R333 PolarHBondContact O-N 2.97Å; L331-R333 PolarHBondContact O-N 3.23Å; R333-N335 PolarHBondContact O-N 3.42Å
334L82.5Confident81.7Confident29 Ų2969.3 Ų69.315%0.15233%0.33CS..  trans-7294.5176.4-75.4173.6000111.4F323 V325 E330 L331 E332 T336 A341 K352 W357F323-L334 HydrophobicContact CB-CD1 3.61Å; F323-L334 HydrophobicContact CB-CD2 4.33Å; F323-L334 HydrophobicContact CD1-CD1 4.48Å; F323-L334 HydrophobicContact CD1-CD2 3.68Å; F323-L334 HydrophobicContact CD2-CD1 4.46Å; F323-L334 HydrophobicContact CE1-CD2 4.16Å; F323-L334 HydrophobicContact CG-CD1 3.94Å; F323-L334 HydrophobicContact CG-CD2 3.95Å; V325-L334 HydrophobicContact CG1-CD1 3.69Å; V325-L334 HydrophobicContact CG1-CG 4.28Å; E330-L334 PolarHBondContact O-N 3.19Å; L331-L334 WeakPolarHBondContact O-CB 3.22Å; L331-L334 PolarHBondContact O-N 2.89Å; E332-L334 PolarHBondContact O-N 3.2Å; L334-T336 PolarHBondContact O-N 2.03Å; L334-A341 HydrophobicContact CD1-CB 3.93Å; L334-K352 PolarHBondContact O-NZ 3.38Å; L334-W357 HydrophobicContact CB-CZ2 3.8Å; L334-W357 HydrophobicContact CD1-CH2 4.28Å; L334-W357 HydrophobicContact CD1-CZ2 4.03Å
335N74.6Confident81.5Confident151 Ų15169.6 Ų69.681%0.80733%0.329SS*.  trans-82.448.5178.2-161.926000113.8R333R333-N335 PolarHBondContact O-N 3.42Å
336T75.4Confident81.2Confident44 Ų4474.5 Ų74.527%0.2735%0.352SS..  trans-117.7122.6-18049.80000110.5F323 L334 A339 K352F323-T336 HydrophobicContact CE2-CG2 4.22Å; F323-T336 HydrophobicContact CZ-CG2 3.92Å; L334-T336 PolarHBondContact O-N 2.03Å; T336-A339 VanDerWaalsContact OG1-CB 3.28Å; T336-A339 WeakPolarHBondContact OG1-CB 3.36Å; T336-K352 VanDerWaalsContact O-CD 3.31Å; T336-K352 WeakPolarHBondContact O-CD 3.27Å
337Q69.9Low81.1Confident168 Ų16878.1 Ų78.179%0.78536%0.36SS*.THydrogen-bonded Turntrans-79.3153.5172.8-66.7175.4-1500110.7A339Q337-A339 PolarHBondContact O-N 2.98Å
338N67.8Low80.8Confident70 Ų7077 Ų7737%0.37436%0.357SS..THydrogen-bonded Turntrans53.435.5179.8-59-17000113.5K352N338-K352 PolarHBondContact N-O 2.85Å
339A76.9Confident80.7Confident2 Ų276 Ų762%0.01735%0.353CS..  trans-103.7148.4-178.100000111.3F323 T336 Q337 F351 K352 W357F323-A339 HydrophobicContact CD2-CB 4.08Å; F323-A339 HydrophobicContact CE2-CB 3.9Å; T336-A339 VanDerWaalsContact OG1-CB 3.28Å; T336-A339 WeakPolarHBondContact OG1-CB 3.36Å; Q337-A339 PolarHBondContact O-N 2.98Å; A339-F351 WeakPolarHBondContact O-CA 3.41Å; A339-K352 PolarHBondContact O-N 2.73Å; A339-W357 HydrophobicContact CB-CH2 4.15Å; A339-W357 WeakPolarHBondContact O-CZ3 3.16Å
340I84.1Confident80.5Confident35 Ų3571.9 Ų71.918%0.17933%0.333CS..EExtended strand (participates in β ladder)trans-104138.9166.3-66.8173.9000108.4V319 I322 F323 L349 Y350 F351 I360V319-I340 HydrophobicContact CG1-CB 4.09Å; V319-I340 HydrophobicContact CG1-CD1 4.02Å; V319-I340 HydrophobicContact CG1-CG1 3.84Å; V319-I340 HydrophobicContact CG2-CD1 4.18Å; V319-I340 HydrophobicContact CG2-CG1 4.38Å; I322-I340 WeakPolarHBondContact CA-O 3.29Å; I322-I340 HydrophobicContact CG1-CB 4.38Å; I322-I340 HydrophobicContact CG1-CG2 4.39Å; I322-I340 HydrophobicContact CG2-CG2 4.28Å; F323-I340 PolarHBondContact N-O 2.9Å; I340-L349 HydrophobicContact CG2-CD2 3.86Å; I340-Y350 CarbonylContact C-O 3.53Å; I340-Y350 VanDerWaalsContact CA-O 3.29Å; I340-Y350 WeakPolarHBondContact CA-O 3.48Å; I340-F351 HydrophobicContact CG1-CD2 3.97Å; I340-I360 HydrophobicContact CD1-CD1 4.48Å
341A84.8Confident80.4Confident0 Ų072 Ų720%033%0.333CS..EExtended strand (participates in β ladder)trans-134133.4175.400000111.3F323 V325 L331 L334 Y350 W357F323-A341 HydrophobicContact CB-CB 4.09Å; F323-A341 CarbonylContact O-C 3.53Å; F323-A341 VanDerWaalsContact O-CA 3.31Å; F323-A341 WeakPolarHBondContact O-CA 3.48Å; V325-A341 HydrophobicContact CG2-CB 4.43Å; L331-A341 HydrophobicContact CD1-CB 3.42Å; L331-A341 VanDerWaalsContact CD1-CB 3.42Å; L334-A341 HydrophobicContact CD1-CB 3.93Å; A341-Y350 PolarHBondContact N-O 3.44Å; A341-Y350 PolarHBondContact O-N 3.26Å; A341-W357 HydrophobicContact CB-CH2 3.52Å; A341-W357 HydrophobicContact CB-CZ2 4.31Å; A341-W357 HydrophobicContact CB-CZ3 3.62Å
342F85.8Confident80.2Confident67 Ų6773.6 Ų73.629%0.29434%0.34SS..EExtended strand (participates in β ladder)trans-93.9122.5172.5-179.4-103000110.4F323 V324 V325 R344 R347 L349F323-F342 PolarHBondContact O-N 3.02Å; V324-F342 HydrophobicContact CG1-CD1 4.4Å; V325-F342 WeakPolarHBondContact CG2-O 3.35Å; V325-F342 PolarHBondContact N-O 3.19Å; F342-R344 HydrophobicContact CD1-CG 4.24Å; F342-R344 HydrophobicContact CE1-CG 4.12Å; F342-R347 HydrophobicContact CZ-CB 4.41Å; F342-L349 HydrophobicContact CB-CD2 3.87Å; F342-L349 HydrophobicContact CD2-CD2 3.94Å; F342-L349 HydrophobicContact CD2-CG 4.17Å; F342-L349 HydrophobicContact CG-CD2 4.4Å
343R85.1Confident79.7Confident16 Ų1670.4 Ų70.46%0.0633%0.326CS..EExtended strand (participates in β ladder)trans-91.7114.9173.3-93.4-176.365.5-171.1-0.8110.6V325 L331 D345 Q346 R347 S348 Y350V325-R343 HydrophobicContact CG2-CG 3.64Å; V325-R343 WeakPolarHBondContact O-CA 3.33Å; L331-R343 HydrophobicContact CB-CG 4.49Å; L331-R343 HydrophobicContact CD2-CG 4.28Å; R343-D345 VanDerWaalsContact C-N 3.32Å; R343-D345 WeakPolarHBondContact CB-OD1 3.27Å; R343-D345 IonicContact CZ-OD1 3.59Å; R343-D345 IonicContact CZ-OD2 3.54Å; R343-D345 IonicContact NE-OD1 2.89Å; R343-D345 PolarHBondContact NE-OD1 3.28Å; R343-D345 IonicContact NE-OD2 3.56Å; R343-D345 IonicContact NH2-OD1 3.46Å; R343-D345 PolarHBondContact NH2-OD1 3.46Å; R343-D345 IonicContact NH2-OD2 2.69Å; R343-D345 PolarHBondContact NH2-OD2 3.12Å; R343-D345 PolarHBondContact O-N 2.74Å; R343-Q346 VanDerWaalsContact CZ-CD 3.49Å; R343-Q346 VanDerWaalsContact NH2-NE2 3.1Å; R343-R347 VanDerWaalsContact O-CA 3.27Å; R343-R347 WeakPolarHBondContact O-CA 3.45Å; R343-R347 PolarHBondContact O-N 2.66Å; R343-S348 PolarHBondContact N-O 3.07Å; R343-S348 PolarHBondContact O-N 2.81Å; R343-Y350 HydrophobicContact CB-CD2 4.23Å; R343-Y350 HydrophobicContact CB-CE2 3.85Å; R343-Y350 HydrophobicContact CG-CD2 4.22Å; R343-Y350 HydrophobicContact CG-CE2 4.08Å
344R77.4Confident79.2Confident144 Ų14467.5 Ų67.554%0.54333%0.332SS..THydrogen-bonded Turntrans-65.5-31.9-180-70.8173.1166.8160.8-1.3113.7V324 V325 N326 F342V324-R344 HydrophobicContact CG1-CG 4Å; V324-R344 VanDerWaalsContact CG1-NE 3.31Å; V325-R344 PolarHBondContact O-N 3.41Å; N326-R344 WeakPolarHBondContact OD1-CD 3.48Å; N326-R344 PolarHBondContact OD1-NH1 3.38Å; F342-R344 HydrophobicContact CD1-CG 4.24Å; F342-R344 HydrophobicContact CE1-CG 4.12Å
345D81.4Confident78.8Confident82 Ų8273.4 Ų73.444%0.43936%0.363SS..THydrogen-bonded Turntrans-73.4-34.4-178.562.3-30.4000113.2N326 R343N326-D345 WeakPolarHBondContact O-CB 3.44Å; R343-D345 VanDerWaalsContact C-N 3.32Å; R343-D345 WeakPolarHBondContact CB-OD1 3.27Å; R343-D345 IonicContact CZ-OD1 3.59Å; R343-D345 IonicContact CZ-OD2 3.54Å; R343-D345 IonicContact NE-OD1 2.89Å; R343-D345 PolarHBondContact NE-OD1 3.28Å; R343-D345 IonicContact NE-OD2 3.56Å; R343-D345 IonicContact NH2-OD1 3.46Å; R343-D345 PolarHBondContact NH2-OD1 3.46Å; R343-D345 IonicContact NH2-OD2 2.69Å; R343-D345 PolarHBondContact NH2-OD2 3.12Å; R343-D345 PolarHBondContact O-N 2.74Å
346Q79.1Confident78.9Confident110 Ų11067.3 Ų67.351%0.51434%0.336SS..THydrogen-bonded Turntrans-104.6-4.5177.7-65-170.4-1000113.6R343 S348 Y350R343-Q346 VanDerWaalsContact CZ-CD 3.49Å; R343-Q346 VanDerWaalsContact NH2-NE2 3.1Å; Q346-S348 VanDerWaalsContact CB-OG 3.27Å; Q346-S348 WeakPolarHBondContact CB-OG 3.48Å; Q346-S348 PolarHBondContact O-N 3.45Å; Q346-S348 PolarHBondContact O-OG 2.93Å; Q346-Y350 PolarHBondContact OE1-OH 2.82Å
347R79.4Confident79.2Confident147 Ų14767.1 Ų67.156%0.55533%0.33SS*.THydrogen-bonded Turntrans54.728.9-179.3-63.1174166.1-160.3-17.2113.5F342 R343 T459F342-R347 HydrophobicContact CZ-CB 4.41Å; R343-R347 VanDerWaalsContact O-CA 3.27Å; R343-R347 WeakPolarHBondContact O-CA 3.45Å; R343-R347 PolarHBondContact O-N 2.66Å; R347-T459 VanDerWaalsContact CZ-CB 3.48Å; R347-T459 VanDerWaalsContact NH1-CB 3.27Å; R347-T459 PolarHBondContact NH1-OG1 3.48Å; R347-T459 PolarHBondContact NH2-OXT 3.36Å
348S79.4Confident79.6Confident29 Ų2963.4 Ų63.420%0.20332%0.315CS..EExtended strand (participates in β ladder)trans-119.7149.1-172.741.20000111.6R343 Q346 Y350R343-S348 PolarHBondContact N-O 3.07Å; R343-S348 PolarHBondContact O-N 2.81Å; Q346-S348 VanDerWaalsContact CB-OG 3.27Å; Q346-S348 WeakPolarHBondContact CB-OG 3.48Å; Q346-S348 PolarHBondContact O-N 3.45Å; Q346-S348 PolarHBondContact O-OG 2.93Å; S348-Y350 WeakPolarHBondContact OG-CE2 3.25Å; S348-Y350 PolarHBondContact OG-OH 3.21Å
349L83.8Confident80.2Confident46 Ų4663.9 Ų63.924%0.24132%0.322CS..EExtended strand (participates in β ladder)trans-88.9144.4171.8-71.6166000110.2I340 F342 I360 L362I340-L349 HydrophobicContact CG2-CD2 3.86Å; F342-L349 HydrophobicContact CB-CD2 3.87Å; F342-L349 HydrophobicContact CD2-CD2 3.94Å; F342-L349 HydrophobicContact CD2-CG 4.17Å; F342-L349 HydrophobicContact CG-CD2 4.4Å; L349-I360 HydrophobicContact CB-CB 4.08Å; L349-I360 HydrophobicContact CB-CD1 4.07Å; L349-I360 HydrophobicContact CB-CG1 4.31Å; L349-I360 PolarHBondContact O-N 2.93Å; L349-L362 HydrophobicContact CD1-CD1 4.3Å
350Y81.6Confident80.3Confident22 Ų2266.8 Ų66.89%0.08634%0.337CS..EExtended strand (participates in β ladder)trans-128144.7174.1-63.4-99.8000109.6L331 I340 A341 R343 Q346 S348 L358 P359L331-Y350 HydrophobicContact CD2-CD1 4.1Å; L331-Y350 HydrophobicContact CD2-CD2 4.18Å; L331-Y350 HydrophobicContact CD2-CG 3.89Å; I340-Y350 CarbonylContact C-O 3.53Å; I340-Y350 VanDerWaalsContact CA-O 3.29Å; I340-Y350 WeakPolarHBondContact CA-O 3.48Å; A341-Y350 PolarHBondContact N-O 3.44Å; A341-Y350 PolarHBondContact O-N 3.26Å; R343-Y350 HydrophobicContact CB-CD2 4.23Å; R343-Y350 HydrophobicContact CB-CE2 3.85Å; R343-Y350 HydrophobicContact CG-CD2 4.22Å; R343-Y350 HydrophobicContact CG-CE2 4.08Å; Q346-Y350 PolarHBondContact OE1-OH 2.82Å; S348-Y350 WeakPolarHBondContact OG-CE2 3.25Å; S348-Y350 PolarHBondContact OG-OH 3.21Å; Y350-L358 CarbonylContact C-O 3.54Å; Y350-L358 VanDerWaalsContact CA-O 3.22Å; Y350-L358 WeakPolarHBondContact CA-O 3.27Å; Y350-P359 HydrophobicContact CD1-CB 4.08Å; Y350-P359 HydrophobicContact CE1-CB 3.72Å
351F85.4Confident79.4Confident59 Ų5973.5 Ų73.526%0.25937%0.367SS..EExtended strand (participates in β ladder)trans-111137.6170.3175.3-106.3000109.9A339 I340 D353 W357 L358 I360A339-F351 WeakPolarHBondContact O-CA 3.41Å; I340-F351 HydrophobicContact CG1-CD2 3.97Å; F351-D353 HydrophobicContact CD1-CB 4.07Å; F351-D353 HydrophobicContact CE1-CB 3.8Å; F351-W357 VanDerWaalsContact C-CE3 3.43Å; F351-W357 WeakPolarHBondContact O-CA 3.14Å; F351-L358 PolarHBondContact N-O 3.03Å; F351-L358 PolarHBondContact O-N 3.25Å; F351-I360 HydrophobicContact CB-CD1 4.18Å; F351-I360 HydrophobicContact CB-CG1 4.31Å
352K79.8Confident78.1Confident34 Ų3480.1 Ų80.115%0.14840%0.402CS..EExtended strand (participates in β ladder)trans-96.896.5174.3-176.2149165.11760111L334 T336 N338 A339 G356 W357L334-K352 PolarHBondContact O-NZ 3.38Å; T336-K352 VanDerWaalsContact O-CD 3.31Å; T336-K352 WeakPolarHBondContact O-CD 3.27Å; N338-K352 PolarHBondContact N-O 2.85Å; A339-K352 PolarHBondContact O-N 2.73Å; K352-G356 WeakPolarHBondContact CA-O 3.4Å; K352-W357 HydrophobicContact CB-CD2 3.75Å; K352-W357 HydrophobicContact CB-CE3 3.6Å; K352-W357 HydrophobicContact CB-CH2 3.7Å; K352-W357 HydrophobicContact CB-CZ2 3.83Å; K352-W357 HydrophobicContact CB-CZ3 3.58Å; K352-W357 HydrophobicContact CD-CD2 4.08Å; K352-W357 VanDerWaalsContact CD-CE2 3.5Å; K352-W357 HydrophobicContact CD-CG 4.49Å; K352-W357 HydrophobicContact CD-CH2 4.38Å; K352-W357 HydrophobicContact CD-CZ2 3.67Å; K352-W357 HydrophobicContact CG-CD2 4.34Å; K352-W357 HydrophobicContact CG-CZ2 4.4Å
353D74.7Confident76.2Confident56 Ų5681.5 Ų81.530%0.29942%0.416SS..EExtended strand (participates in β ladder)trans-80.7171166.5-17316.5000110.3F351 L355 G356 L358F351-D353 HydrophobicContact CD1-CB 4.07Å; F351-D353 HydrophobicContact CE1-CB 3.8Å; D353-L355 PolarHBondContact O-N 3.02Å; D353-G356 PolarHBondContact N-O 3.36Å; D353-G356 PolarHBondContact O-N 3.49Å; D353-L358 HydrophobicContact CB-CD1 4.37Å
354S73.9Confident74Confident107 Ų10785.4 Ų85.475%0.74844%0.444SS*.THydrogen-bonded Turntrans-43-34.8163.258.10000114.5
355L73.8Confident72.2Confident152 Ų15287.7 Ų87.780%0.79646%0.458SS*.THydrogen-bonded Turntrans-85.9-7178.4-61.4178.7000114.5D353D353-L355 PolarHBondContact O-N 3.02Å
356G76.7Confident69.9Low24 Ų2493 Ų9325%0.24747%0.473CS..EExtended strand (participates in β ladder)trans118.1-159.8-178.600000114K352 D353K352-G356 WeakPolarHBondContact CA-O 3.4Å; D353-G356 PolarHBondContact N-O 3.36Å; D353-G356 PolarHBondContact O-N 3.49Å
357W81.9Confident67.8Low40 Ų4093.4 Ų93.415%0.15249%0.485CS..EExtended strand (participates in β ladder)trans-85.2116.5-177.2-72.9112000112.1L331 L334 A339 A341 F351 K352L331-W357 HydrophobicContact CD1-CD2 3.52Å; L331-W357 VanDerWaalsContact CD1-CE2 3.46Å; L331-W357 HydrophobicContact CD1-CE3 3.75Å; L331-W357 HydrophobicContact CD1-CG 4.09Å; L331-W357 HydrophobicContact CD1-CH2 3.93Å; L331-W357 HydrophobicContact CD1-CZ2 3.7Å; L331-W357 HydrophobicContact CD1-CZ3 3.94Å; L331-W357 HydrophobicContact CD2-CB 4.03Å; L331-W357 HydrophobicContact CD2-CD2 4.15Å; L331-W357 HydrophobicContact CD2-CG 3.88Å; L331-W357 HydrophobicContact CG-CB 4.45Å; L331-W357 HydrophobicContact CG-CD2 3.76Å; L331-W357 HydrophobicContact CG-CE3 4.41Å; L331-W357 HydrophobicContact CG-CG 3.76Å; L331-W357 HydrophobicContact CG-CZ2 4.4Å; L331-W357 PolarHBondContact O-NE1 3.19Å; L334-W357 HydrophobicContact CB-CZ2 3.8Å; L334-W357 HydrophobicContact CD1-CH2 4.28Å; L334-W357 HydrophobicContact CD1-CZ2 4.03Å; A339-W357 HydrophobicContact CB-CH2 4.15Å; A339-W357 WeakPolarHBondContact O-CZ3 3.16Å; A341-W357 HydrophobicContact CB-CH2 3.52Å; A341-W357 HydrophobicContact CB-CZ2 4.31Å; A341-W357 HydrophobicContact CB-CZ3 3.62Å; F351-W357 VanDerWaalsContact C-CE3 3.43Å; F351-W357 WeakPolarHBondContact O-CA 3.14Å; K352-W357 HydrophobicContact CB-CD2 3.75Å; K352-W357 HydrophobicContact CB-CE3 3.6Å; K352-W357 HydrophobicContact CB-CH2 3.7Å; K352-W357 HydrophobicContact CB-CZ2 3.83Å; K352-W357 HydrophobicContact CB-CZ3 3.58Å; K352-W357 HydrophobicContact CD-CD2 4.08Å; K352-W357 VanDerWaalsContact CD-CE2 3.5Å; K352-W357 HydrophobicContact CD-CG 4.49Å; K352-W357 HydrophobicContact CD-CH2 4.38Å; K352-W357 HydrophobicContact CD-CZ2 3.67Å; K352-W357 HydrophobicContact CG-CD2 4.34Å; K352-W357 HydrophobicContact CG-CZ2 4.4Å
358L78.8Confident65.7Low89 Ų8992 Ų9247%0.46649%0.492SS..EExtended strand (participates in β ladder)trans-110.8135.9177.9-62.6173.1000110.6Y350 F351 D353Y350-L358 CarbonylContact C-O 3.54Å; Y350-L358 VanDerWaalsContact CA-O 3.22Å; Y350-L358 WeakPolarHBondContact CA-O 3.27Å; F351-L358 PolarHBondContact N-O 3.03Å; F351-L358 PolarHBondContact O-N 3.25Å; D353-L358 HydrophobicContact CB-CD1 4.37Å
359P80.8Confident63.5Low81 Ų8197.7 Ų97.753%0.52652%0.521SS..EExtended strand (participates in β ladder)trans-72.9135.6178.129.5-33.7000111.7Y350Y350-P359 HydrophobicContact CD1-CB 4.08Å; Y350-P359 HydrophobicContact CE1-CB 3.72Å
360I79.6Confident61.1Low63 Ų63105.7 Ų105.732%0.32355%0.549SS..EExtended strand (participates in β ladder)trans-89.6115.1173-52.5-178.9000108.4I340 L349 F351 L362I340-I360 HydrophobicContact CD1-CD1 4.48Å; L349-I360 HydrophobicContact CB-CB 4.08Å; L349-I360 HydrophobicContact CB-CD1 4.07Å; L349-I360 HydrophobicContact CB-CG1 4.31Å; L349-I360 PolarHBondContact O-N 2.93Å; F351-I360 HydrophobicContact CB-CD1 4.18Å; F351-I360 HydrophobicContact CB-CG1 4.31Å; I360-L362 HydrophobicContact CG2-CD2 4.33Å
361Q64Low58.8Low175 Ų175110.4 Ų110.482%0.81858%0.581SS**  trans-84.2114.2172.6-68.5-172.9-7.300110.2T363Q361-T363 PolarHBondContact O-N 3.42Å
362L57Low56.6Low139 Ų139111.6 Ų111.673%0.72860%0.601SS**  trans-88.896.3170.9-63177.7000109.3L349 I360L349-L362 HydrophobicContact CD1-CD1 4.3Å; I360-L362 HydrophobicContact CG2-CD2 4.33Å
363T45.9Very low54.6Low97 Ų97117.3 Ų117.360%0.59563%0.633SS**  trans-73.4122.3169.348.80000109.8Q361 F365Q361-T363 PolarHBondContact O-N 3.42Å; T363-F365 PolarHBondContact O-N 3.07Å
364P40.6Very low52.9Low97 Ų97123.3 Ų123.363%0.6366%0.66SS**  trans-69.9115.6174.528.5-32.9000109.8Y366P364-Y366 PolarHBondContact O-N 3.24Å
365F38.5Very low51.5Low193 Ų193127.4 Ų127.485%0.84666%0.659SS**PPolyproline II helixtrans-72.8123168-79.5-94.1000109.4T363T363-F365 PolarHBondContact O-N 3.07Å
366Y33.3Very low49.9Very low194 Ų194121.5 Ų121.576%0.76164%0.635SS**PPolyproline II helixtrans-82134.2165.3-60.9-87.5000108.2P364P364-Y366 PolarHBondContact O-N 3.24Å
367P36.1Very low48.3Very low117 Ų117124 Ų12476%0.7665%0.645SS**PPolyproline II helixtrans-57.2140166.2-21.333.4000109.8
368V33.5Very low46.7Very low117 Ų117122.2 Ų122.271%0.70964%0.639SS**  trans-96.8111.9176.11790000107.9Y370V368-Y370 HydrophobicContact CG1-CD2 4.33Å; V368-Y370 HydrophobicContact CG1-CE2 4.18Å; V368-Y370 PolarHBondContact O-N 3.05Å
369D33.4Very low45.2Very low149 Ų149118 Ų11880%0.79762%0.618SS**  trans-63.9125.4172.3-64.5-47.2000109.9
370Y33.2Very low43.7Very low214 Ų214117.5 Ų117.584%0.83961%0.61SS**  trans-100.8129.6171-95.7-95.4000110.3V368V368-Y370 HydrophobicContact CG1-CD2 4.33Å; V368-Y370 HydrophobicContact CG1-CE2 4.18Å; V368-Y370 PolarHBondContact O-N 3.05Å
371T33.9Very low42.2Very low122 Ų122116.8 Ų116.875%0.74862%0.618SS**  trans-116.7111.6-174.656.30000112.4
372A38.4Very low41.5Very low84 Ų84114.1 Ų114.169%0.69461%0.609SS**  trans63.9169.2160.500000115.6
373D38.2Very low41.3Very low153 Ų153113.3 Ų113.382%0.81861%0.605SS**  cis-150.395.5-2.5-147.72.7000110
374Q40.2Very low41.5Very low183 Ų183112.7 Ų112.786%0.85560%0.595SS**  trans-142.5125.4167-68.7-165.210.600109.3
375R42.8Very low41.6Very low192 Ų192114.8 Ų114.873%0.72561%0.609SS**  trans-98.493.1175-171.7-173.4-63.9-118.81.7108D399R375-D399 IonicContact CZ-OD1 3.58Å; R375-D399 IonicContact NE-OD1 3.91Å; R375-D399 IonicContact NH1-OD1 2.66Å; R375-D399 PolarHBondContact NH1-OD1 3.29Å; R375-D399 IonicContact NH1-OD2 2.88Å; R375-D399 PolarHBondContact NH1-OD2 3.4Å
376G41.7Very low42.1Very low29 Ų29109 Ų10930%0.29960%0.604SS.*  trans-65.5165.7166.700000111.6E387G376-E387 VanDerWaalsContact CA-OE1 3.23Å; G376-E387 WeakPolarHBondContact CA-OE1 3.36Å
377T42.4Very low42.9Very low75 Ų75101.6 Ų101.646%0.4658%0.576SS.*  trans-135.286.817849.70000107.9E387T377-E387 PolarHBondContact N-OE1 2.97Å
378C47.8Very low43.4Very low4 Ų4104.2 Ų104.23%0.02758%0.578CS.*  trans-71.8175.617050.90000110.9C400C378-C400 HydrophobicContact CB-CB 4.36Å; C378-C400 WeakPolarHBondContact CB-SG 3.48Å; C378-C400 PolarHBondContact N-SG 3.5Å; C378-C400 WeakPolarHBondContact SG-CA 3.04Å; C378-C400 WeakPolarHBondContact SG-CB 3.2Å; C378-C400 CovalentContact SG-SG 2.04Å; C378-C400 PolarHBondContact SG-SG 3.36Å
379G48Very low44.1Very low1 Ų1101 Ų1011%0.0156%0.56CS.*  trans89.911.1-17500000115N393 S394G379-N393 CarbonylContact C-O 3.52Å; G379-S394 CarbonylContact O-C 3.56Å; G379-S394 WeakPolarHBondContact O-CA 3.44Å
380D48.6Very low44.9Very low69 Ų6996.5 Ų96.537%0.36954%0.536SS..SBendtrans-98.9-3.7170.479.5-14.1000113.9L382 Q384D380-L382 PolarHBondContact OD1-N 3.48Å; D380-Q384 PolarHBondContact OD2-NE2 2.99Å
381G50Low46Very low48 Ų4890.4 Ų90.450%0.49552%0.518SS..SBendtrans77.112.7-177.800000115.1D390G381-D390 WeakPolarHBondContact CA-OD2 3.31Å
382L48.8Very low46.8Very low119 Ų11987.4 Ų87.462%0.62351%0.511SS*.SBendtrans-133.5101.7-174.5-66.4172.4000111.9D380 Q384D380-L382 PolarHBondContact OD1-N 3.48Å; L382-Q384 WeakPolarHBondContact O-CG 3.12Å; L382-Q384 PolarHBondContact O-N 3.42Å
383L51.6Low47.3Very low122 Ų12286.1 Ų86.164%0.63949%0.492SS*.  trans-47.5105.8173.7-100.6164.4000112.8E387L383-E387 WeakPolarHBondContact CD2-O 3.42Å
384Q51Low48.1Very low84 Ų8483.9 Ų83.939%0.39349%0.489SS..  trans-89.2157.8-178-51.9-158.415.100112.1D380 L382 G386 E387D380-Q384 PolarHBondContact OD2-NE2 2.99Å; L382-Q384 WeakPolarHBondContact O-CG 3.12Å; L382-Q384 PolarHBondContact O-N 3.42Å; Q384-G386 VanDerWaalsContact C-N 3.33Å; Q384-G386 PolarHBondContact O-N 3.32Å; Q384-E387 WeakPolarHBondContact CB-OE2 3.32Å; Q384-E387 PolarHBondContact N-OE2 3.04Å; Q384-E387 PolarHBondContact O-N 3.32Å
385P43.4Very low48.6Very low142 Ų14280 Ų8092%0.92247%0.474SS*.THydrogen-bonded Turntrans-70.180.5-175.3-19.934.7000113.9
386G48.4Very low48.7Very low71 Ų7176.1 Ų76.173%0.73247%0.471SS*.THydrogen-bonded Turntrans157.6-12.8-179.200000114.2Q384Q384-G386 VanDerWaalsContact C-N 3.33Å; Q384-G386 PolarHBondContact O-N 3.32Å
387E50.3Low49Very low38 Ų3878.2 Ų78.218%0.17849%0.493CS..  trans-101.1132.9-176.9-68.2161.5166.600110.6G376 T377 L383 Q384G376-E387 VanDerWaalsContact CA-OE1 3.23Å; G376-E387 WeakPolarHBondContact CA-OE1 3.36Å; T377-E387 PolarHBondContact N-OE1 2.97Å; L383-E387 WeakPolarHBondContact CD2-O 3.42Å; Q384-E387 WeakPolarHBondContact CB-OE2 3.32Å; Q384-E387 PolarHBondContact N-OE2 3.04Å; Q384-E387 PolarHBondContact O-N 3.32Å
388E45.3Very low49.1Very low173 Ų17377.2 Ų77.281%0.80849%0.485SS*.SBendtrans-84.5-17.8178.5-69.9-161.9139.400113.3
389C49.6Very low48.9Very low48 Ų4882.5 Ų82.532%0.32451%0.513SS..  trans-153.8150.6-179.361.20000111.7C404C389-C404 WeakPolarHBondContact SG-CB 3.4Å
390D50.6Low49Very low56 Ų5684.1 Ų84.130%0.29952%0.524SS..  trans-107.4142.2161.517924.4000107.3G381 G392G381-D390 WeakPolarHBondContact CA-OD2 3.31Å; D390-G392 PolarHBondContact OD1-N 3.3Å
391D55.5Low48.9Very low86 Ų8686.3 Ų86.346%0.4653%0.534SS..  trans-89.5-8.1179.360.525.5000113N393D391-N393 VanDerWaalsContact C-N 3.28Å; D391-N393 VanDerWaalsContact OD1-CB 3.24Å; D391-N393 WeakPolarHBondContact OD1-CB 3.43Å; D391-N393 PolarHBondContact OD1-N 3.02Å
392G51.2Low48.3Very low58 Ų5893.8 Ų93.860%0.59855%0.548SS*.  trans76.213.5178.100000113.8D390D390-G392 PolarHBondContact OD1-N 3.3Å
393N49.2Very low47.9Very low57 Ų5793.8 Ų93.831%0.30555%0.548SS..  trans-69.7166.5168.3-158.92.3000110.9G379 D391 D395 D398G379-N393 CarbonylContact C-O 3.52Å; D391-N393 VanDerWaalsContact C-N 3.28Å; D391-N393 VanDerWaalsContact OD1-CB 3.24Å; D391-N393 WeakPolarHBondContact OD1-CB 3.43Å; D391-N393 PolarHBondContact OD1-N 3.02Å; N393-D395 WeakPolarHBondContact ND2-CB 3.34Å; N393-D395 PolarHBondContact ND2-OD2 3.43Å; N393-D395 VanDerWaalsContact ND2-OD2 3.11Å; N393-D395 PolarHBondContact OD1-N 3.28Å; N393-D395 PolarHBondContact OD1-OD2 3.49Å; N393-D398 PolarHBondContact ND2-OD2 3.17Å
394S53.9Low47.2Very low107 Ų10790.5 Ų90.575%0.74854%0.535SS*.  trans-113-0.9170-530000112.7G379G379-S394 CarbonylContact O-C 3.56Å; G379-S394 WeakPolarHBondContact O-CA 3.44Å
395D50.7Low46.6Very low101 Ų10193.9 Ų93.954%0.5455%0.551SS.*  trans-81.7140.2174.3-61-51.3000109.8N393 D398N393-D395 WeakPolarHBondContact ND2-CB 3.34Å; N393-D395 PolarHBondContact ND2-OD2 3.43Å; N393-D395 VanDerWaalsContact ND2-OD2 3.11Å; N393-D395 PolarHBondContact OD1-N 3.28Å; N393-D395 PolarHBondContact OD1-OD2 3.49Å; D395-D398 WeakPolarHBondContact CB-OD1 3.05Å
396V45.9Very low46.2Very low110 Ų11097.2 Ų97.267%0.66755%0.545SS*.SBendtrans-109.737.1-177-160.20000109.7
397G46.8Very low45.2Very low74 Ų7498.4 Ų98.476%0.76355%0.547SS*.  trans-123.14.1-17400000114
398D44.8Very low44.4Very low53 Ų53106.6 Ų106.628%0.28358%0.578SS.*  trans-98.9118.2-160-56.748.2000108.9N393 D395 C400N393-D398 PolarHBondContact ND2-OD2 3.17Å; D395-D398 WeakPolarHBondContact CB-OD1 3.05Å; D398-C400 PolarHBondContact O-N 3.24Å; D398-C400 VanDerWaalsContact O-N 3.12Å
399D44.3Very low43.8Very low115 Ų115104.4 Ų104.462%0.61558%0.581SS**  trans-71.6104.5169.1-97.7-27.3000107.7R375R375-D399 IonicContact CZ-OD1 3.58Å; R375-D399 IonicContact NE-OD1 3.91Å; R375-D399 IonicContact NH1-OD1 2.66Å; R375-D399 PolarHBondContact NH1-OD1 3.29Å; R375-D399 IonicContact NH1-OD2 2.88Å; R375-D399 PolarHBondContact NH1-OD2 3.4Å
400C48.8Very low43.1Very low35 Ų35105.2 Ų105.224%0.23660%0.597CS.*  trans-48.8139.6-175.3-53.80000112.9C378 D398 R402C378-C400 HydrophobicContact CB-CB 4.36Å; C378-C400 WeakPolarHBondContact CB-SG 3.48Å; C378-C400 PolarHBondContact N-SG 3.5Å; C378-C400 WeakPolarHBondContact SG-CA 3.04Å; C378-C400 WeakPolarHBondContact SG-CB 3.2Å; C378-C400 CovalentContact SG-SG 2.04Å; C378-C400 PolarHBondContact SG-SG 3.36Å; D398-C400 PolarHBondContact O-N 3.24Å; D398-C400 VanDerWaalsContact O-N 3.12Å; C400-R402 PolarHBondContact O-N 2.96Å
401I47.2Very low42.4Very low116 Ų116109.4 Ų109.460%0.59562%0.619SS**  trans-64.897.2-179.8-59.1178.5000109.3D403 C404I401-D403 PolarHBondContact O-N 2.78Å; I401-C404 HydrophobicContact CB-CB 4.3Å; I401-C404 HydrophobicContact CG2-CB 4.21Å; I401-C404 WeakPolarHBondContact O-CB 3.49Å; I401-C404 PolarHBondContact O-N 3.46Å
402R37.7Very low41.5Very low205 Ų205107.9 Ų107.977%0.77462%0.624SS**THydrogen-bonded Turntrans-60.8-4.1-170.2-124.2-167.263.9-174.2-4.7116.6C400C400-R402 PolarHBondContact O-N 2.96Å
403D40.5Very low40.9Very low118 Ų118111.8 Ų111.863%0.63163%0.626SS**THydrogen-bonded Turntrans-144.547.3-175.6-62.1-80.8000110.1I401 H405I401-D403 PolarHBondContact O-N 2.78Å; D403-H405 PolarHBondContact O-N 3.41Å
404C37Very low40.4Very low54 Ų54118.8 Ų118.837%0.36565%0.648SS.*  trans-75.150.1-171.1-158.20000115.1C389 I401 R406C389-C404 WeakPolarHBondContact SG-CB 3.4Å; I401-C404 HydrophobicContact CB-CB 4.3Å; I401-C404 HydrophobicContact CG2-CB 4.21Å; I401-C404 WeakPolarHBondContact O-CB 3.49Å; I401-C404 PolarHBondContact O-N 3.46Å; C404-R406 PolarHBondContact O-N 3.29Å
405H37.5Very low39.8Very low155 Ų155120.4 Ų120.472%0.71864%0.644SS**  trans-7947.4177-70.3-17.3000113.5D403D403-H405 PolarHBondContact O-N 3.41Å
406R34.5Very low39.3Very low211 Ų211122.7 Ų122.780%0.79665%0.651SS**  trans-141.3106.4176.6-70.8-170.2174.6-171.1-2.7112.6C404C404-R406 PolarHBondContact O-N 3.29Å
407A28.9Very low39.3Very low96 Ų96121.3 Ų121.379%0.79366%0.659SS**  trans-71.9128.6160.200000109.5
408Y32.5Very low38.9Very low211 Ų211123.8 Ų123.883%0.82766%0.659SS**  trans-73142.3164.2-76.6-92.4000109.7
409C33Very low38.5Very low127 Ų127129.5 Ų129.586%0.85868%0.684SS**  trans-111.7136.7170.9-69.10000108.7
410G34.9Very low38.3Very low64 Ų64131.8 Ų131.866%0.6670%0.697SS**SBendtrans82.4132.1-170.800000111.8G412G410-G412 PolarHBondContact O-N 3.08Å
411D34.8Very low37.8Very low145 Ų145134.7 Ų134.778%0.77572%0.716SS**SBendtrans-3.8-13.5-179.775.15.5000124.7H413D411-H413 PolarHBondContact OD1-N 3.47Å
412G37.4Very low37.1Very low53 Ų53135.7 Ų135.755%0.54672%0.723SS.*SBendtrans108.51.7-178.400000114.6G410G410-G412 PolarHBondContact O-N 3.08Å
413H37.9Very low37.1Very low141 Ų141128.8 Ų128.865%0.65372%0.716SS**  trans-124.7123.3-174.9-67.6-20.8000114.5D411 H415D411-H413 PolarHBondContact OD1-N 3.47Å; H413-H415 PolarHBondContact O-N 3.39Å
414R40Very low37.2Very low204 Ų204128 Ų12877%0.7772%0.72SS**  trans-85.391.8-179.8-176-179.3177.7-95.7-10.3111.6E416R414-E416 IonicContact CZ-OE1 3.15Å; R414-E416 IonicContact NH1-OE1 2.8Å; R414-E416 PolarHBondContact NH1-OE1 3.43Å; R414-E416 IonicContact NH2-OE1 2.68Å; R414-E416 PolarHBondContact NH2-OE1 2.98Å
415H40.9Very low37.3Very low140 Ų140129 Ų12965%0.64872%0.721SS**  trans-85.6112.6173.2-80.3-101.8000112H413 G417H413-H415 PolarHBondContact O-N 3.39Å; H415-G417 PolarHBondContact O-N 3.43Å
416E40.8Very low37.1Very low149 Ų149130.7 Ų130.770%0.69673%0.727SS**THydrogen-bonded Turntrans-82.9113.4-171.4-160.8164.7-107.800112.2R414R414-E416 IonicContact CZ-OE1 3.15Å; R414-E416 IonicContact NH1-OE1 2.8Å; R414-E416 PolarHBondContact NH1-OE1 3.43Å; R414-E416 IonicContact NH2-OE1 2.68Å; R414-E416 PolarHBondContact NH2-OE1 2.98Å
417G45.8Very low37.1Very low82 Ų82123 Ų12385%0.84571%0.713SS**THydrogen-bonded Turntrans94.518.1168.100000117.4H415H415-G417 PolarHBondContact O-N 3.43Å
418V38.4Very low37.5Very low125 Ų125127.4 Ų127.476%0.75871%0.71SS**THydrogen-bonded Turntrans-124.4-24.4179.7-177.60000114.1
419E36.6Very low37.7Very low173 Ų173120.2 Ų120.281%0.80869%0.686SS**  trans-108.297-178.2-56-152.6159.400112.4
420D39.5Very low38Very low164 Ų164116.5 Ų116.588%0.87766%0.659SS**  trans-91.495.8163.3-87.8-38.5000108.9D422D420-D422 PolarHBondContact O-N 3.04Å
421C38.3Very low38.1Very low95 Ų95113.4 Ų113.464%0.64263%0.628SS**  trans4.793.9165.8-67.90000116.5G423 D425C421-G423 VanDerWaalsContact C-N 3.28Å; C421-G423 PolarHBondContact O-N 2.98Å; C421-D425 WeakPolarHBondContact CA-OD2 3.32Å; C421-D425 HydrophobicContact CB-CB 4.09Å; C421-D425 WeakPolarHBondContact CB-OD1 3.28Å; C421-D425 VanDerWaalsContact CB-OD2 3.31Å; C421-D425 WeakPolarHBondContact CB-OD2 3.41Å; C421-D425 VanDerWaalsContact SG-CG 3.59Å; C421-D425 PolarHBondContact SG-OD1 2.8Å
422D32.6Very low38.1Very low137 Ų137113.2 Ų113.273%0.73362%0.622SS**  trans-82.75.8-172.492.7-27.1000115.6D420 S424 D425D420-D422 PolarHBondContact O-N 3.04Å; D422-S424 PolarHBondContact OD1-N 3.47Å; D422-S424 PolarHBondContact OD1-OG 3.41Å; D422-D425 PolarHBondContact N-OD2 3.14Å
423G37.1Very low38.2Very low61 Ų61115.2 Ų115.263%0.62962%0.624SS**SBendtrans97.62.6177.400000114.1C421 D425C421-G423 VanDerWaalsContact C-N 3.28Å; C421-G423 PolarHBondContact O-N 2.98Å; G423-D425 PolarHBondContact N-OD2 3.23Å; G423-D425 PolarHBondContact O-N 2.97Å
424S41.7Very low38.3Very low102 Ų102114.7 Ų114.771%0.71362%0.617SS**  trans-62.7-17.2151.8-550000111.6D422D422-S424 PolarHBondContact OD1-N 3.47Å; D422-S424 PolarHBondContact OD1-OG 3.41Å
425D39.3Very low38.6Very low75 Ų75107.5 Ų107.540%0.40159%0.594SS.*  trans-84.9105.5-174.8-37.6-104.6000112.8C421 D422 G423 G427C421-D425 WeakPolarHBondContact CA-OD2 3.32Å; C421-D425 HydrophobicContact CB-CB 4.09Å; C421-D425 WeakPolarHBondContact CB-OD1 3.28Å; C421-D425 VanDerWaalsContact CB-OD2 3.31Å; C421-D425 WeakPolarHBondContact CB-OD2 3.41Å; C421-D425 VanDerWaalsContact SG-CG 3.59Å; C421-D425 PolarHBondContact SG-OD1 2.8Å; D422-D425 PolarHBondContact N-OD2 3.14Å; G423-D425 PolarHBondContact N-OD2 3.23Å; G423-D425 PolarHBondContact O-N 2.97Å; D425-G427 PolarHBondContact O-N 2.68Å
426F33.9Very low38.6Very low189 Ų189106.9 Ų106.983%0.82960%0.602SS**  trans-75.779.3158.4-81-90.2000109.4
427G33.8Very low38.6Very low49 Ų49102.2 Ų102.251%0.50559%0.594SS.*  trans-59163.3-178.400000113.8D425 L429D425-G427 PolarHBondContact O-N 2.68Å; G427-L429 PolarHBondContact O-N 2.94Å
428Y38.5Very low38.4Very low189 Ų18998.4 Ų98.474%0.74155%0.554SS**  trans-53.699.8177.5-101.4-107.5000111.8T430 D441Y428-T430 PolarHBondContact O-N 3.33Å; Y428-D441 HydrophobicContact CD1-CB 4.39Å; Y428-D441 WeakPolarHBondContact CD1-OD1 3.21Å; Y428-D441 HydrophobicContact CE1-CB 4.22Å
429L36.5Very low38.6Very low61 Ų6197.5 Ų97.532%0.31954%0.538SS..  trans-82.194.7173.6-63.7175.4000108.6G427 Y434 L442G427-L429 PolarHBondContact O-N 2.94Å; L429-Y434 HydrophobicContact CB-CE2 4.1Å; L429-Y434 HydrophobicContact CD1-CE2 3.86Å; L429-Y434 HydrophobicContact CD2-CE2 4.18Å; L429-Y434 HydrophobicContact CG-CE2 4.26Å; L429-L442 HydrophobicContact CB-CB 4.39Å; L429-L442 HydrophobicContact CB-CD1 3.93Å; L429-L442 VanDerWaalsContact O-CB 3.32Å; L429-L442 WeakPolarHBondContact O-CB 3.4Å; L429-L442 WeakPolarHBondContact O-CD1 3.37Å; L429-L442 VanDerWaalsContact O-CG 3.25Å; L429-L442 WeakPolarHBondContact O-CG 3.41Å; L429-L442 PolarHBondContact O-N 2.89Å
430T39.7Very low39.1Very low48 Ų4890.4 Ų90.429%0.29451%0.511SS..BIsolated β-bridgetrans-69.7143.6173.761.20000110.4Y428 E432 T433 G440Y428-T430 PolarHBondContact O-N 3.33Å; T430-E432 PolarHBondContact O-N 2.88Å; T430-T433 PolarHBondContact O-N 2.78Å; T430-T433 PolarHBondContact O-OG1 3.25Å; T430-G440 WeakPolarHBondContact CA-O 3.21Å
431C36.4Very low39.3Very low0 Ų086.2 Ų86.20%049%0.489CS..G310 helixtrans-58.4-24.3-174.2-53.60000113.7T433 Y434 L435 S438 G440 C455C431-T433 PolarHBondContact O-N 3.24Å; C431-T433 VanDerWaalsContact O-N 3.12Å; C431-Y434 PolarHBondContact O-N 2.86Å; C431-Y434 VanDerWaalsContact O-N 3.14Å; C431-L435 PolarHBondContact O-N 3.38Å; C431-S438 WeakPolarHBondContact CB-OG 3.38Å; C431-G440 PolarHBondContact N-O 3.47Å; C431-G440 PolarHBondContact SG-O 3.01Å; C431-C455 HydrophobicContact CB-CB 3.73Å; C431-C455 WeakPolarHBondContact CB-SG 3.23Å; C431-C455 WeakPolarHBondContact SG-CA 3.46Å; C431-C455 WeakPolarHBondContact SG-CB 3.03Å; C431-C455 CovalentContact SG-SG 2.03Å; C431-C455 PolarHBondContact SG-SG 3.15Å
432E34.9Very low39.3Very low140 Ų14082.9 Ų82.965%0.65447%0.465SS*.G310 helixtrans-51.4-34.5174.6-65.2-170.9123.900113.1T430 S438T430-E432 PolarHBondContact O-N 2.88Å; E432-S438 WeakPolarHBondContact CA-O 3.23Å; E432-S438 PolarHBondContact N-O 3.41Å
433T38.7Very low39.8Very low96 Ų9684.7 Ų84.759%0.58946%0.461SS*.G310 helixtrans-79.6-23.5-175.160.30000113.7T430 C431T430-T433 PolarHBondContact O-N 2.78Å; T430-T433 PolarHBondContact O-OG1 3.25Å; C431-T433 PolarHBondContact O-N 3.24Å; C431-T433 VanDerWaalsContact O-N 3.12Å
434Y40.9Very low39.8Very low130 Ų13086.8 Ų86.851%0.5147%0.465SS..THydrogen-bonded Turntrans-104.3-31.2-179.5-79.7-97.1000113.3L429 C431 L442L429-Y434 HydrophobicContact CB-CE2 4.1Å; L429-Y434 HydrophobicContact CD1-CE2 3.86Å; L429-Y434 HydrophobicContact CD2-CE2 4.18Å; L429-Y434 HydrophobicContact CG-CE2 4.26Å; C431-Y434 PolarHBondContact O-N 2.86Å; C431-Y434 VanDerWaalsContact O-N 3.14Å; Y434-L442 HydrophobicContact CD2-CD1 3.52Å; Y434-L442 HydrophobicContact CE2-CD1 3.99Å; Y434-L442 HydrophobicContact CG-CD1 3.99Å
435L45.7Very low39.6Very low53 Ų5383.5 Ų83.528%0.27744%0.441SS..SBendtrans-139.293.7-167.2-76.4163.1000109.3C431 G437 S438 Y457C431-L435 PolarHBondContact O-N 3.38Å; L435-G437 PolarHBondContact O-N 3.39Å; L435-S438 WeakPolarHBondContact CB-OG 3.41Å; L435-S438 PolarHBondContact O-N 3.42Å; L435-S438 PolarHBondContact O-OG 3.41Å; L435-Y457 WeakPolarHBondContact CD1-OH 3.27Å; L435-Y457 HydrophobicContact CD2-CE1 4.41Å
436P42.5Very low39.2Very low127 Ų12788.7 Ų88.783%0.82546%0.462SS*.THydrogen-bonded Turntrans-62.6120.7-173.124.1-33.5000111.3
437G40.1Very low39Very low50 Ų5088.3 Ų88.352%0.51546%0.457SS..THydrogen-bonded Turntrans97.76.6-174.900000115.1L435 F458L435-G437 PolarHBondContact O-N 3.39Å; G437-F458 PolarHBondContact O-N 3.16Å
438S42.1Very low38.9Very low3 Ų392.3 Ų92.32%0.02148%0.476CS..EExtended strand (participates in β ladder)trans-115.6154.417273.80000113C431 E432 L435 R456C431-S438 WeakPolarHBondContact CB-OG 3.38Å; E432-S438 WeakPolarHBondContact CA-O 3.23Å; E432-S438 PolarHBondContact N-O 3.41Å; L435-S438 WeakPolarHBondContact CB-OG 3.41Å; L435-S438 PolarHBondContact O-N 3.42Å; L435-S438 PolarHBondContact O-OG 3.41Å; S438-R456 CarbonylContact C-O 3.51Å; S438-R456 WeakPolarHBondContact CA-O 3.47Å; S438-R456 WeakPolarHBondContact CB-O 3.3Å
439Y41.4Very low39Very low106 Ų10689.4 Ų89.442%0.41646%0.464SS..EExtended strand (participates in β ladder)trans-138.1148.5-178.166.7-80.7000111C455 R456 F458Y439-C455 WeakPolarHBondContact O-CA 3.08Å; Y439-R456 HydrophobicContact CD1-CB 4.11Å; Y439-R456 WeakPolarHBondContact CD1-O 3.34Å; Y439-R456 HydrophobicContact CD2-CB 4.44Å; Y439-R456 HydrophobicContact CE1-CB 3.54Å; Y439-R456 HydrophobicContact CE2-CB 3.93Å; Y439-R456 HydrophobicContact CE2-CG 4.46Å; Y439-R456 VanDerWaalsContact CZ-CB 3.45Å; Y439-R456 PolarHBondContact N-O 3.37Å; Y439-R456 PolarHBondContact O-N 3.11Å; Y439-R456 VanDerWaalsContact OH-CD 3.3Å; Y439-R456 WeakPolarHBondContact OH-CD 3.11Å; Y439-F458 HydrophobicContact CE1-CD2 4.15Å
440G48.1Very low39.3Very low24 Ų2490.4 Ų90.425%0.24747%0.469CS..SBendtrans137179.9-173.700000111.6T430 C431T430-G440 WeakPolarHBondContact CA-O 3.21Å; C431-G440 PolarHBondContact N-O 3.47Å; C431-G440 PolarHBondContact SG-O 3.01Å
441D42.3Very low39.5Very low75 Ų7590 Ų9040%0.40147%0.465SS..BIsolated β-bridgetrans-107.5131.3-178-57.5-41000111Y428 P454Y428-D441 HydrophobicContact CD1-CB 4.39Å; Y428-D441 WeakPolarHBondContact CD1-OD1 3.21Å; Y428-D441 HydrophobicContact CE1-CB 4.22Å; D441-P454 WeakPolarHBondContact O-CB 3.42Å; D441-P454 WeakPolarHBondContact O-CG 3.4Å
442L38.5Very low40.2Very low26 Ų2692.7 Ų92.714%0.13648%0.484CS..PPolyproline II helixtrans-80.4130.7174.9-66173.5000110.7L429 Y434 I450 C455L429-L442 HydrophobicContact CB-CB 4.39Å; L429-L442 HydrophobicContact CB-CD1 3.93Å; L429-L442 VanDerWaalsContact O-CB 3.32Å; L429-L442 WeakPolarHBondContact O-CB 3.4Å; L429-L442 WeakPolarHBondContact O-CD1 3.37Å; L429-L442 VanDerWaalsContact O-CG 3.25Å; L429-L442 WeakPolarHBondContact O-CG 3.41Å; L429-L442 PolarHBondContact O-N 2.89Å; Y434-L442 HydrophobicContact CD2-CD1 3.52Å; Y434-L442 HydrophobicContact CE2-CD1 3.99Å; Y434-L442 HydrophobicContact CG-CD1 3.99Å; L442-I450 HydrophobicContact CB-CG2 3.69Å; L442-I450 HydrophobicContact CD1-CG2 4.09Å; L442-I450 HydrophobicContact CD2-CG2 4.08Å; L442-I450 HydrophobicContact CG-CG2 4.17Å; L442-C455 WeakPolarHBondContact CD2-SG 3.12Å
443R43.1Very low41.1Very low175 Ų17591.7 Ų91.766%0.6649%0.487SS*.EExtended strand (participates in β ladder)trans-102128.2-179.5-72.3-174.7171.8-158.1-4.4111.2D451 P454R443-D451 HydrophobicContact CB-CB 4.34Å; R443-D451 PolarHBondContact N-O 3.33Å; R443-D451 WeakPolarHBondContact O-CB 3.37Å; R443-D451 PolarHBondContact O-N 3.12Å; R443-P454 HydrophobicContact CG-CG 4.37Å
444C36.7Very low41.8Very low105 Ų10589.4 Ų89.471%0.70947%0.474SS*.EExtended strand (participates in β ladder)trans-77.2131.4170.1-70.40000110.1
445T37.6Very low42.1Very low33 Ų3383.8 Ų83.820%0.20245%0.454CS..PPolyproline II helixtrans-102.1158.5178.266.40000112Y447 C448 Y449 D451T445-Y447 PolarHBondContact O-N 2.04Å; T445-C448 PolarHBondContact O-N 3.14Å; T445-C448 VanDerWaalsContact O-N 3.09Å; T445-Y449 HydrophobicContact CG2-CD2 4.06Å; T445-Y449 HydrophobicContact CG2-CE1 4.38Å; T445-Y449 HydrophobicContact CG2-CE2 3.53Å; T445-Y449 PolarHBondContact N-O 3.33Å; T445-Y449 VanDerWaalsContact N-O 3.13Å; T445-Y449 VanDerWaalsContact OG1-CD1 3.27Å; T445-Y449 WeakPolarHBondContact OG1-CD1 3.47Å; T445-Y449 WeakPolarHBondContact OG1-CE1 3.44Å; T445-Y449 PolarHBondContact OG1-N 3Å; T445-Y449 PolarHBondContact OG1-O 2.66Å; T445-D451 HydrophobicContact CG2-CB 3.86Å
446Q31.6Very low42.1Very low183 Ų18389.4 Ų89.486%0.85547%0.471SS*.THydrogen-bonded Turntrans-58.9-14.5177.1-66.3176.5-11.900113.9
447Y29.6Very low42.2Very low181 Ų18190.3 Ų90.371%0.7146%0.459SS*.THydrogen-bonded Turntrans-99.417.4179.7-55.8-72.4000113.5T445 Y449T445-Y447 PolarHBondContact O-N 2.04Å; Y447-Y449 HydrophobicContact CD2-CE1 4.12Å; Y447-Y449 HydrophobicContact CG-CE1 4.41Å; Y447-Y449 PolarHBondContact O-N 2.8Å
448C32.3Very low42.1Very low134 Ų13495.7 Ų95.791%0.90547%0.469SS*.SBendtrans56.830.2179.1-59.90000114.8T445T445-C448 PolarHBondContact O-N 3.14Å; T445-C448 VanDerWaalsContact O-N 3.09Å
449Y39.2Very low41.8Very low127 Ų127101.7 Ų101.750%0.49851%0.506SS..  trans-112.1149.6164.271.8-98.6000111.1T445 Y447 D451T445-Y449 HydrophobicContact CG2-CD2 4.06Å; T445-Y449 HydrophobicContact CG2-CE1 4.38Å; T445-Y449 HydrophobicContact CG2-CE2 3.53Å; T445-Y449 PolarHBondContact N-O 3.33Å; T445-Y449 VanDerWaalsContact N-O 3.13Å; T445-Y449 VanDerWaalsContact OG1-CD1 3.27Å; T445-Y449 WeakPolarHBondContact OG1-CD1 3.47Å; T445-Y449 WeakPolarHBondContact OG1-CE1 3.44Å; T445-Y449 PolarHBondContact OG1-N 3Å; T445-Y449 PolarHBondContact OG1-O 2.66Å; Y447-Y449 HydrophobicContact CD2-CE1 4.12Å; Y447-Y449 HydrophobicContact CG-CE1 4.41Å; Y447-Y449 PolarHBondContact O-N 2.8Å; Y449-D451 HydrophobicContact CE2-CB 4.23Å
450I43.8Very low41.8Very low82 Ų82101.5 Ų101.542%0.42151%0.51SS..EExtended strand (participates in β ladder)trans-86.2120.1176-55.7177.3000108L442L442-I450 HydrophobicContact CB-CG2 3.69Å; L442-I450 HydrophobicContact CD1-CG2 4.09Å; L442-I450 HydrophobicContact CD2-CG2 4.08Å; L442-I450 HydrophobicContact CG-CG2 4.17Å
451D43.2Very low41.5Very low41 Ų41105.6 Ų105.622%0.21952%0.524CS..EExtended strand (participates in β ladder)trans-88124.1175.2-172.5-3.6000110.5R443 T445 Y449 T453R443-D451 HydrophobicContact CB-CB 4.34Å; R443-D451 PolarHBondContact N-O 3.33Å; R443-D451 WeakPolarHBondContact O-CB 3.37Å; R443-D451 PolarHBondContact O-N 3.12Å; T445-D451 HydrophobicContact CG2-CB 3.86Å; Y449-D451 HydrophobicContact CE2-CB 4.23Å; D451-T453 VanDerWaalsContact CG-OG1 3.26Å; D451-T453 VanDerWaalsContact OD1-CB 3.32Å; D451-T453 WeakPolarHBondContact OD1-CB 3.24Å; D451-T453 VanDerWaalsContact OD1-CG2 3.28Å; D451-T453 WeakPolarHBondContact OD1-CG2 3.5Å; D451-T453 PolarHBondContact OD1-N 3.08Å; D451-T453 PolarHBondContact OD1-OG1 2.62Å; D451-T453 PolarHBondContact OD2-OG1 3.37Å
452S51.3Low41.4Very low55 Ų55107.3 Ų107.339%0.38553%0.531SS..  trans-111.59.8179.258.20000113.5P454 C455S452-P454 VanDerWaalsContact C-N 3.26Å; S452-C455 WeakPolarHBondContact O-CB 3.44Å; S452-C455 PolarHBondContact O-N 3.43Å; S452-C455 PolarHBondContact O-SG 3.39Å; S452-C455 VanDerWaalsContact O-SG 3.38Å
453T54Low41.6Very low119 Ų119112.1 Ų112.173%0.7355%0.554SS**THydrogen-bonded Turntrans-57.4-25.7171.1570000115D451 C455D451-T453 VanDerWaalsContact CG-OG1 3.26Å; D451-T453 VanDerWaalsContact OD1-CB 3.32Å; D451-T453 WeakPolarHBondContact OD1-CB 3.24Å; D451-T453 VanDerWaalsContact OD1-CG2 3.28Å; D451-T453 WeakPolarHBondContact OD1-CG2 3.5Å; D451-T453 PolarHBondContact OD1-N 3.08Å; D451-T453 PolarHBondContact OD1-OG1 2.62Å; D451-T453 PolarHBondContact OD2-OG1 3.37Å; T453-C455 VanDerWaalsContact C-N 3.27Å; T453-C455 PolarHBondContact O-N 3.41Å
454P53.3Low41.5Very low49 Ų49108.1 Ų108.132%0.31855%0.547SS..THydrogen-bonded Turntrans-73.4-14171.6-1833.5000114.2D441 R443 S452 R456D441-P454 WeakPolarHBondContact O-CB 3.42Å; D441-P454 WeakPolarHBondContact O-CG 3.4Å; R443-P454 HydrophobicContact CG-CG 4.37Å; S452-P454 VanDerWaalsContact C-N 3.26Å; P454-R456 PolarHBondContact O-N 2.88Å
455C47.3Very low41.9Very low11 Ų11108.3 Ų108.37%0.07454%0.537CS..  trans-71.4114.2-177.3-58.80000111.6C431 Y439 L442 S452 T453C431-C455 HydrophobicContact CB-CB 3.73Å; C431-C455 WeakPolarHBondContact CB-SG 3.23Å; C431-C455 WeakPolarHBondContact SG-CA 3.46Å; C431-C455 WeakPolarHBondContact SG-CB 3.03Å; C431-C455 CovalentContact SG-SG 2.03Å; C431-C455 PolarHBondContact SG-SG 3.15Å; Y439-C455 WeakPolarHBondContact O-CA 3.08Å; L442-C455 WeakPolarHBondContact CD2-SG 3.12Å; S452-C455 WeakPolarHBondContact O-CB 3.44Å; S452-C455 PolarHBondContact O-N 3.43Å; S452-C455 PolarHBondContact O-SG 3.39Å; S452-C455 VanDerWaalsContact O-SG 3.38Å; T453-C455 VanDerWaalsContact C-N 3.27Å; T453-C455 PolarHBondContact O-N 3.41Å
456R45.1Very low42.2Very low172 Ų172113.7 Ų113.765%0.64956%0.56SS**EExtended strand (participates in β ladder)trans-85.8128.4169.5-68.5-177.4178.3-174.2-0109.7S438 Y439 P454S438-R456 CarbonylContact C-O 3.51Å; S438-R456 WeakPolarHBondContact CA-O 3.47Å; S438-R456 WeakPolarHBondContact CB-O 3.3Å; Y439-R456 HydrophobicContact CD1-CB 4.11Å; Y439-R456 WeakPolarHBondContact CD1-O 3.34Å; Y439-R456 HydrophobicContact CD2-CB 4.44Å; Y439-R456 HydrophobicContact CE1-CB 3.54Å; Y439-R456 HydrophobicContact CE2-CB 3.93Å; Y439-R456 HydrophobicContact CE2-CG 4.46Å; Y439-R456 VanDerWaalsContact CZ-CB 3.45Å; Y439-R456 PolarHBondContact N-O 3.37Å; Y439-R456 PolarHBondContact O-N 3.11Å; Y439-R456 VanDerWaalsContact OH-CD 3.3Å; Y439-R456 WeakPolarHBondContact OH-CD 3.11Å; P454-R456 PolarHBondContact O-N 2.88Å
457Y45.7Very low43Very low145 Ų145108.4 Ų108.457%0.56954%0.538SS*.EExtended strand (participates in β ladder)trans-87.3135.4173.2-68.4-96.4000110.6L435L435-Y457 WeakPolarHBondContact CD1-OH 3.27Å; L435-Y457 HydrophobicContact CD2-CE1 4.41Å
458F37.2Very low44.1Very low163 Ų163102.3 Ų102.372%0.71552%0.523SS*.  trans-104.3153.2161.9-133-86.4000109.5G437 Y439G437-F458 PolarHBondContact O-N 3.16Å; Y439-F458 HydrophobicContact CE1-CD2 4.15Å
459T36.4Very low45.1Very low130 Ų13099.5 Ų99.580%0.79849%0.489SS*.  trans-1350-160.6680000114.4R347R347-T459 VanDerWaalsContact CZ-CB 3.48Å; R347-T459 VanDerWaalsContact NH1-CB 3.27Å; R347-T459 PolarHBondContact NH1-OG1 3.48Å; R347-T459 PolarHBondContact NH2-OXT 3.36Å

Retrieved 459 of 459 residues in 130.6 ms (Link to these results)