A0A096N4L4_PAPAN Loading...

Growth differentiation factor 1

AlphaFold DB , UniProt , Accession A0A096N4L4, Species PAPAN (Papio anubis, Olive baboon), Gene GDF1, Length 370 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
1M37.8Very low43.3Very low241 Ų241148.1 Ų148.1100%1.18786%0.862SS**  0115.80-75.5173.7172.700107.7
2L43.5Very low43.6Very low170 Ų170149 Ų14989%0.8985%0.852SS**  trans-62.6151.6166.6-95.385.4000109.8
3P44Very low43.9Very low116 Ų116149.1 Ų149.175%0.75385%0.847SS**  trans-118.2164137.425.9-9.8000112.1
4P43.6Very low44.1Very low116 Ų116149.9 Ų149.975%0.75385%0.846SS**  trans-113158.1-142.337.4-27.1000115.7
5R36.1Very low44.3Very low248 Ų248148.8 Ų148.894%0.93684%0.836SS**  trans24.8110145.4-77.9-176.6159.7173.8-5.1119.1
6Q41.1Very low44.3Very low200 Ų200146.5 Ų146.594%0.93582%0.821SS**  trans-61.2130.4147.1-76.3172.5-12.900110.6
7G38.8Very low44.3Very low69 Ų69146.1 Ų146.171%0.71182%0.815SS**  trans-87.9137.6160.900000110.1G9G7-G9 PolarHBondContact O-N 3.26Å
8P47.3Very low44.4Very low140 Ų140143.9 Ų143.991%0.90981%0.806SS**  trans-90.1104.3178.433.8-26.8000108.9
9G49.2Very low44.4Very low80 Ų80143.7 Ų143.783%0.82580%0.802SS**  trans-165.876.617900000110.9G7G7-G9 PolarHBondContact O-N 3.26Å
10G45.7Very low44.4Very low75 Ų75143.8 Ų143.877%0.77380%0.8SS**SBendtrans168.63.8177.300000118
11Q49.5Very low44.5Very low174 Ų174143.4 Ų143.481%0.81380%0.796SS**SBendtrans-117.12.5-179.1-102.41796.300115.6
12H46.5Very low44.7Very low159 Ų159137.2 Ų137.274%0.73677%0.774SS**SBendtrans-99.1-7.6178.3-74.6-56.5000115.1
13L47.2Very low44.6Very low150 Ų150134.4 Ų134.479%0.78577%0.769SS**SBendtrans-87.9-17-176.1-139.978.4000114.6
14L47.7Very low44.7Very low161 Ų161136.4 Ų136.484%0.84377%0.772SS**SBendtrans-91.8-13.6177.3-100.8113.4000114.4
15L46.2Very low44.5Very low133 Ų133135.5 Ų135.570%0.69677%0.766SS**SBendtrans-90.1-12.4177.4-98.6135.1000113.8
16L44.7Very low44.8Very low112 Ų112129.3 Ų129.359%0.58676%0.758SS**SBendtrans-92.9-10.9-179.7-88.5154.6000114.3L19L16-L19 HydrophobicContact CD2-CD1 4.44Å
17L44.2Very low44.7Very low139 Ų139126.1 Ų126.173%0.72875%0.753SS**SBendtrans-86.5-8.2178.2-125.791.6000114.5L19L17-L19 VanDerWaalsContact C-N 3.35Å
18V45.6Very low44.5Very low108 Ų108128.5 Ų128.566%0.65576%0.757SS**G310 helixtrans-83.6-14.6176.5-178.60000111.8
19L44.3Very low44.1Very low139 Ų139125.8 Ų125.873%0.72875%0.746SS**G310 helixtrans-88.81.8-177.4-72.8164.7000114.5L16 L17L16-L19 HydrophobicContact CD2-CD1 4.44Å; L17-L19 VanDerWaalsContact C-N 3.35Å
20L44.6Very low43.9Very low145 Ų145127.7 Ų127.776%0.75974%0.744SS**G310 helixtrans-1137.9180-74.5167.8000114.2P22L20-P22 WeakPolarHBondContact O-CD 3.32Å
21L47.1Very low43.6Very low136 Ų136130.1 Ų130.171%0.71274%0.743SS**SBendtrans-72120.3165.3-83.6141.9000107.9S23L21-S23 PolarHBondContact O-N 3.34Å
22P42.4Very low43.6Very low111 Ų111126.8 Ų126.872%0.72174%0.737SS**  trans-56.8120.8173.624-31.1000107.2L20 L24L20-P22 WeakPolarHBondContact O-CD 3.32Å; P22-L24 PolarHBondContact O-N 3.01Å
23S41Very low44Very low112 Ų112122 Ų12278%0.78372%0.72SS**  trans-54105170.951.40000107.1L21 P25L21-S23 PolarHBondContact O-N 3.34Å; S23-P25 VanDerWaalsContact O-N 3.16Å
24L45.4Very low44.7Very low157 Ų157116.8 Ų116.882%0.82270%0.703SS**  trans-50.1125.3167-84.3137000105.7P22P22-L24 PolarHBondContact O-N 3.01Å
25P39.9Very low45.5Very low97 Ų97115 Ų11563%0.6370%0.701SS**  trans-54145.4176.524.9-32.6000107.2S23 T27S23-P25 VanDerWaalsContact O-N 3.16Å; P25-T27 PolarHBondContact O-N 2.73Å
26P43.1Very low46.4Very low119 Ų119111.1 Ų111.177%0.77369%0.688SS**  trans-49.8115.1172.622.9-32.2000106C28P26-C28 VanDerWaalsContact C-N 3.33Å; P26-C28 PolarHBondContact O-N 2.71Å
27T38.3Very low47.3Very low133 Ų133107.7 Ų107.782%0.81668%0.676SS**  trans-52110.2170.9290000104.1P25 A29P25-T27 PolarHBondContact O-N 2.73Å; T27-A29 PolarHBondContact O-N 2.82Å
28C33.9Very low48.1Very low119 Ų119103 Ų10380%0.80466%0.657SS**PPolyproline II helixtrans-47.3118.1174.5-84.60000105.3P26P26-C28 VanDerWaalsContact C-N 3.33Å; P26-C28 PolarHBondContact O-N 2.71Å
29A39.5Very low49.2Very low82 Ų82100.4 Ų100.468%0.67864%0.639SS**PPolyproline II helixtrans-46.2130.5163.800000105.5T27 V31T27-A29 PolarHBondContact O-N 2.82Å; A29-V31 PolarHBondContact O-N 3.32Å
30P44.6Very low50.5Low121 Ų12194.7 Ų94.779%0.78661%0.609SS**PPolyproline II helixtrans-49.7125.4-179.219.4-30.7000107.2P32P30-P32 VanDerWaalsContact O-N 3.12Å
31V39.3Very low51.6Low125 Ų12593.8 Ų93.876%0.75860%0.601SS**  trans-42.9124.8178.9174.10000106.9A29 P33A29-V31 PolarHBondContact O-N 3.32Å; V31-P33 VanDerWaalsContact O-N 3.14Å
32P49.8Very low52.2Low105 Ų10590.6 Ų90.668%0.68260%0.595SS**PPolyproline II helixtrans-53129.8-178.620.3-31000107.1P30 G34P30-P32 VanDerWaalsContact O-N 3.12Å; P32-G34 PolarHBondContact O-N 3.19Å; P32-G34 VanDerWaalsContact O-N 3.12Å
33P55Low53.4Low57 Ų5785.6 Ų85.637%0.3756%0.562SS.*PPolyproline II helixtrans-51.2129.4-177.818.9-29.9000107.7V31 A37 A38V31-P33 VanDerWaalsContact O-N 3.14Å; P33-A37 HydrophobicContact CB-CB 3.5Å; P33-A37 VanDerWaalsContact CB-CB 3.5Å; P33-A38 HydrophobicContact CG-CB 4.31Å
34G62.3Low54.5Low42 Ų4281.3 Ų81.343%0.43354%0.535SS..PPolyproline II helixtrans-50.8156.9173.800000109.6P32 A36 A37 A38P32-G34 PolarHBondContact O-N 3.19Å; P32-G34 VanDerWaalsContact O-N 3.12Å; G34-A36 CarbonylContact O-C 3.59Å; G34-A36 PolarHBondContact O-N 3.05Å; G34-A37 WeakPolarHBondContact O-CA 3.31Å; G34-A37 PolarHBondContact O-N 3.36Å; G34-A38 PolarHBondContact O-N 3.18Å
35P64.7Low55.7Low122 Ų12274.8 Ų74.879%0.79250%0.501SS*.Hα-helixtrans-51.5-32.4-169.816-29.9000113.9L39P35-L39 WeakPolarHBondContact O-CB 3.04Å; P35-L39 PolarHBondContact O-N 2.04Å; P35-L39 VanDerWaalsContact O-N 3.08Å
36A64.4Low56.9Low52 Ų5280 Ų8043%0.4351%0.508SS..Hα-helixtrans-66.7-41.2173.600000113.9G34 L39 L40G34-A36 CarbonylContact O-C 3.59Å; G34-A36 PolarHBondContact O-N 3.05Å; A36-L39 PolarHBondContact O-N 2.94Å; A36-L40 WeakPolarHBondContact O-CG 3.27Å; A36-L40 PolarHBondContact O-N 2.81Å
37A63.9Low58.2Low40 Ų4079.8 Ų79.833%0.33150%0.5SS..Hα-helixtrans-72.8-34.9177.900000111.8P33 G34 L39 L40 Q41P33-A37 HydrophobicContact CB-CB 3.5Å; P33-A37 VanDerWaalsContact CB-CB 3.5Å; G34-A37 WeakPolarHBondContact O-CA 3.31Å; G34-A37 PolarHBondContact O-N 3.36Å; A37-L39 VanDerWaalsContact C-N 3.31Å; A37-L39 PolarHBondContact O-N 2.85Å; A37-L40 PolarHBondContact O-N 2.79Å; A37-Q41 WeakPolarHBondContact O-CG 3.22Å; A37-Q41 PolarHBondContact O-N 2.92Å
38A62.1Low59.8Low41 Ų4175.7 Ų75.734%0.33948%0.48SS..Hα-helixtrans-63-39.9171.700000111.5P33 G34 Q41 A42P33-A38 HydrophobicContact CG-CB 4.31Å; G34-A38 PolarHBondContact O-N 3.18Å; A38-Q41 PolarHBondContact O-N 3.18Å; A38-A42 WeakPolarHBondContact O-CB 3.3Å; A38-A42 PolarHBondContact O-N 2.94Å
39L68Low61.9Low54 Ų5470.5 Ų70.528%0.28345%0.445SS..Hα-helixtrans-66.4-42.1175.4-16967.2000111.8P35 A36 A37 Q41 A42 L43 W279 M362P35-L39 WeakPolarHBondContact O-CB 3.04Å; P35-L39 PolarHBondContact O-N 2.04Å; P35-L39 VanDerWaalsContact O-N 3.08Å; A36-L39 PolarHBondContact O-N 2.94Å; A37-L39 VanDerWaalsContact C-N 3.31Å; A37-L39 PolarHBondContact O-N 2.85Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 2.95Å; L39-A42 PolarHBondContact O-N 3.2Å; L39-L43 WeakPolarHBondContact O-CB 3.22Å; L39-L43 VanDerWaalsContact O-CG 3.26Å; L39-L43 WeakPolarHBondContact O-CG 3.08Å; L39-L43 PolarHBondContact O-N 2.78Å; L39-W279 HydrophobicContact CB-CH2 4.19Å; L39-W279 HydrophobicContact CB-CZ2 4.27Å; L39-W279 HydrophobicContact CD2-CH2 3.37Å; L39-W279 HydrophobicContact CD2-CZ2 3.74Å; L39-W279 HydrophobicContact CD2-CZ3 4.02Å; L39-W279 HydrophobicContact CG-CH2 3.53Å; L39-W279 HydrophobicContact CG-CZ2 4.05Å; L39-W279 HydrophobicContact CG-CZ3 4.43Å; L39-M362 HydrophobicContact CD1-CE 4.42Å
40L71.1Confident63.5Low19 Ų1975.8 Ų75.810%0.09946%0.455CS..Hα-helixtrans-59.9-43.7174.4-71169.1000111.9A36 A37 L43 G44 L45 A48 W279 W282A36-L40 WeakPolarHBondContact O-CG 3.27Å; A36-L40 PolarHBondContact O-N 2.81Å; A37-L40 PolarHBondContact O-N 2.79Å; L40-L43 CarbonylContact O-C 3.58Å; L40-L43 WeakPolarHBondContact O-CA 3.15Å; L40-L43 PolarHBondContact O-N 2.81Å; L40-L43 VanDerWaalsContact O-N 3.14Å; L40-G44 PolarHBondContact O-N 2.93Å; L40-L45 CarbonylContact C-O 3.57Å; L40-L45 VanDerWaalsContact C-O 3.29Å; L40-L45 HydrophobicContact CB-CB 4.46Å; L40-L45 HydrophobicContact CD2-CB 4.27Å; L40-L45 HydrophobicContact CD2-CD1 4.07Å; L40-L45 PolarHBondContact O-N 3.39Å; L40-L45 VanDerWaalsContact O-O 3.04Å; L40-A48 HydrophobicContact CD1-CB 3.94Å; L40-A48 HydrophobicContact CD2-CB 4.3Å; L40-W279 HydrophobicContact CD2-CH2 4Å; L40-W279 HydrophobicContact CD2-CZ2 3.44Å; L40-W279 VanDerWaalsContact CD2-CZ2 3.44Å; L40-W279 HydrophobicContact CG-CH2 4.48Å; L40-W279 HydrophobicContact CG-CZ2 3.72Å; L40-W282 HydrophobicContact CD2-CZ2 4.16Å
41Q67.2Low64.5Low126 Ų12670.9 Ų70.959%0.58943%0.427SS*.Hα-helixtrans-63.1-42.3175.8-74178.6-7.500112.4A37 A38 L39 L43 G44A37-Q41 WeakPolarHBondContact O-CG 3.22Å; A37-Q41 PolarHBondContact O-N 2.92Å; A38-Q41 PolarHBondContact O-N 3.18Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 2.95Å; Q41-L43 PolarHBondContact O-N 3.22Å; Q41-G44 WeakPolarHBondContact O-CA 3.35Å; Q41-G44 PolarHBondContact O-N 2.75Å
42A61.2Low65.8Low69 Ų6967 Ų6757%0.5741%0.408SS*.Hα-helixtrans-61.5-33.7174.100000111.7A38 L39 G44A38-A42 WeakPolarHBondContact O-CB 3.3Å; A38-A42 PolarHBondContact O-N 2.94Å; L39-A42 PolarHBondContact O-N 3.2Å; A42-G44 PolarHBondContact O-N 3.09Å
43L66.2Low66.7Low6 Ų663.6 Ų63.63%0.03139%0.386CS..THydrogen-bonded Turntrans-81.210.1172.2-62.5-175.4000113.6L39 L40 Q41 L45 W279 R357 Y359 M362L39-L43 WeakPolarHBondContact O-CB 3.22Å; L39-L43 VanDerWaalsContact O-CG 3.26Å; L39-L43 WeakPolarHBondContact O-CG 3.08Å; L39-L43 PolarHBondContact O-N 2.78Å; L40-L43 CarbonylContact O-C 3.58Å; L40-L43 WeakPolarHBondContact O-CA 3.15Å; L40-L43 PolarHBondContact O-N 2.81Å; L40-L43 VanDerWaalsContact O-N 3.14Å; Q41-L43 PolarHBondContact O-N 3.22Å; L43-L45 HydrophobicContact CB-CD1 4.4Å; L43-L45 HydrophobicContact CB-CG 4.32Å; L43-L45 PolarHBondContact O-N 2.86Å; L43-L45 VanDerWaalsContact O-N 3.09Å; L43-W279 HydrophobicContact CD1-CE3 4.42Å; L43-W279 HydrophobicContact CD1-CH2 3.25Å; L43-W279 HydrophobicContact CD1-CZ3 3.18Å; L43-W279 HydrophobicContact CG-CH2 4.35Å; L43-R357 PolarHBondContact O-NH1 2.9Å; L43-R357 PolarHBondContact O-NH2 3.4Å; L43-R357 VanDerWaalsContact O-NH2 3.11Å; L43-Y359 VanDerWaalsContact C-CE1 3.5Å; L43-Y359 HydrophobicContact CB-CD1 4.23Å; L43-Y359 HydrophobicContact CB-CE1 3.57Å; L43-Y359 HydrophobicContact CD2-CD1 3.32Å; L43-Y359 HydrophobicContact CD2-CD2 3.82Å; L43-Y359 HydrophobicContact CD2-CE1 3.55Å; L43-Y359 HydrophobicContact CD2-CE2 3.99Å; L43-Y359 HydrophobicContact CD2-CG 3.45Å; L43-Y359 VanDerWaalsContact CD2-CG 3.45Å; L43-Y359 HydrophobicContact CG-CD1 4.33Å; L43-Y359 HydrophobicContact CG-CE1 4.1Å; L43-Y359 WeakPolarHBondContact O-CE1 3.34Å; L43-Y359 PolarHBondContact O-OH 3.47Å; L43-M362 HydrophobicContact CD2-CE 3.95Å; L43-M362 HydrophobicContact CD2-SD 3.91Å
44G64.7Low66.9Low21 Ų2172.9 Ų72.922%0.21641%0.413CS..THydrogen-bonded Turntrans46.340.7-17600000112.5L40 Q41 A42 R357L40-G44 PolarHBondContact O-N 2.93Å; Q41-G44 WeakPolarHBondContact O-CA 3.35Å; Q41-G44 PolarHBondContact O-N 2.75Å; A42-G44 PolarHBondContact O-N 3.09Å; G44-R357 PolarHBondContact O-NH1 3.06Å
45L71Confident67Low21 Ų2178.8 Ų78.811%0.1143%0.434CS..  trans-106.8123167.6-62.2177000106.2L40 L43 W282 F347L40-L45 CarbonylContact C-O 3.57Å; L40-L45 VanDerWaalsContact C-O 3.29Å; L40-L45 HydrophobicContact CB-CB 4.46Å; L40-L45 HydrophobicContact CD2-CB 4.27Å; L40-L45 HydrophobicContact CD2-CD1 4.07Å; L40-L45 PolarHBondContact O-N 3.39Å; L40-L45 VanDerWaalsContact O-O 3.04Å; L43-L45 HydrophobicContact CB-CD1 4.4Å; L43-L45 HydrophobicContact CB-CG 4.32Å; L43-L45 PolarHBondContact O-N 2.86Å; L43-L45 VanDerWaalsContact O-N 3.09Å; L45-W282 HydrophobicContact CD1-CH2 3.49Å; L45-W282 VanDerWaalsContact CD1-CH2 3.49Å; L45-W282 HydrophobicContact CD1-CZ2 4.34Å; L45-W282 HydrophobicContact CD1-CZ3 3.76Å; L45-F347 HydrophobicContact CD2-CE2 3.98Å; L45-F347 HydrophobicContact CD2-CZ 4.02Å
46R65.6Low67.5Low206 Ų20677.7 Ų77.778%0.77741%0.414SS*.SBendtrans-68-40.4179.1-66-177.8177.1-132-1.7111.5
47D69.3Low68.4Low115 Ų11580.5 Ų80.562%0.61543%0.428SS*.SBendtrans-141.8156178.2-62.4-68.8000109.7P49D47-P49 WeakPolarHBondContact O-CD 3.44Å
48A71.2Confident69.7Low47 Ų4779.7 Ų79.739%0.38842%0.419SS..  trans-66.2130.3171.600000109.8L40L40-A48 HydrophobicContact CD1-CB 3.94Å; L40-A48 HydrophobicContact CD2-CB 4.3Å
49P77.8Confident71Confident9 Ų978.9 Ų78.96%0.05841%0.41CS..  trans-59146.1176.7-24.131.4000113.3D47 G51 W282 F348 N350D47-P49 WeakPolarHBondContact O-CD 3.44Å; P49-G51 PolarHBondContact O-N 2.86Å; P49-W282 HydrophobicContact CB-CB 3.78Å; P49-W282 HydrophobicContact CB-CD2 4.27Å; P49-W282 HydrophobicContact CB-CG 3.9Å; P49-W282 HydrophobicContact CG-CB 4.27Å; P49-W282 HydrophobicContact CG-CD2 3.85Å; P49-W282 HydrophobicContact CG-CE3 3.8Å; P49-W282 HydrophobicContact CG-CG 4.02Å; P49-W282 HydrophobicContact CG-CZ3 4.45Å; P49-F348 WeakPolarHBondContact CB-O 3.37Å; P49-F348 WeakPolarHBondContact CG-O 3.13Å; P49-N350 VanDerWaalsContact CA-OD1 3.24Å; P49-N350 WeakPolarHBondContact CA-OD1 3.06Å
50Q73.1Confident72.1Confident194 Ų19481 Ų8191%0.90743%0.428SS*.SBendtrans-63.4-14.6-173.1-64.9-175.3-9.200113.8
51G66.8Low73Confident18 Ų1881.8 Ų81.819%0.18643%0.433CS..  trans137170.9174.900000112P49 R281P49-G51 PolarHBondContact O-N 2.86Å; G51-R281 CarbonylContact C-O 3.52Å
52A65.8Low74.3Confident44 Ų4475.8 Ų75.836%0.36441%0.405SS..  trans-75.8131.9175.600000109.5R54 R281 F348A52-R54 PolarHBondContact O-N 3.1Å; A52-R281 WeakPolarHBondContact CA-O 3.26Å; A52-R281 WeakPolarHBondContact CB-O 2.84Å; A52-R281 PolarHBondContact N-O 2.98Å; A52-F348 HydrophobicContact CB-CD2 3.5Å; A52-F348 VanDerWaalsContact CB-CD2 3.5Å; A52-F348 HydrophobicContact CB-CE2 3.7Å; A52-F348 HydrophobicContact CB-CG 4.48Å
53P70Confident75.7Confident33 Ų3376.7 Ų76.721%0.21439%0.394CS..  trans-60.7132.2173.722.4-31.8000110.4L55 R56 F348 D352P53-L55 PolarHBondContact O-N 2.92Å; P53-R56 HydrophobicContact CB-CB 4.26Å; P53-R56 HydrophobicContact CG-CB 3.83Å; P53-F348 HydrophobicContact CG-CD1 4.02Å; P53-F348 HydrophobicContact CG-CE1 3.94Å; P53-F348 HydrophobicContact CG-CG 4.43Å; P53-F348 HydrophobicContact CG-CZ 4.29Å; P53-D352 WeakPolarHBondContact CD-OD1 3.45Å; P53-D352 HydrophobicContact CG-CB 4.12Å; P53-D352 WeakPolarHBondContact CG-OD1 3.39Å
54R58.8Low76.9Confident251 Ų25183.8 Ų83.895%0.94742%0.42SS*.THydrogen-bonded Turntrans-62.6-17.2-171.9-75-171.9170.6171-1.6115.4A52A52-R54 PolarHBondContact O-N 3.1Å
55L64.7Low78.1Confident167 Ų16783 Ų8387%0.87441%0.411SS*.THydrogen-bonded Turntrans-127.78.2-168.1-66.1171.8000114.3P53 P57P53-L55 PolarHBondContact O-N 2.92Å; L55-P57 WeakPolarHBondContact O-CD 3.49Å
56R74.3Confident79Confident98 Ų9882.1 Ų82.137%0.3741%0.406SS..  trans-105.1110.6-174.6-166.9177.3-78.6-87.69.4111.5P53P53-R56 HydrophobicContact CB-CB 4.26Å; P53-R56 HydrophobicContact CG-CB 3.83Å
57P84.1Confident80Confident111 Ų11179 Ų7972%0.72139%0.394SS*.PPolyproline II helixtrans-71.2148174.429.7-33.6000110.7L55L55-P57 WeakPolarHBondContact O-CD 3.49Å
58V90.1Very high80.3Confident24 Ų2482.2 Ų82.215%0.14540%0.398CS..PPolyproline II helixtrans-77.6125.4175.9173.60000109.3M62 W63 I284 L346 F348 V354V58-M62 HydrophobicContact CG1-CB 3.97Å; V58-W63 HydrophobicContact CG1-CG 4.27Å; V58-I284 HydrophobicContact CG2-CD1 3.56Å; V58-I284 HydrophobicContact CG2-CG1 4.19Å; V58-I284 HydrophobicContact CG2-CG2 4.1Å; V58-L346 HydrophobicContact CG1-CD2 4.11Å; V58-F348 HydrophobicContact CG2-CZ 4.07Å; V58-V354 HydrophobicContact CG1-CG1 4.11Å
59P90.9Very high80.3Confident23 Ų2381.3 Ų81.315%0.14938%0.384CS..PPolyproline II helixtrans-56.7138.9-179.4-26.333.9000112.4V61 M62 W63 H104P59-V61 HydrophobicContact CB-CG1 4.01Å; P59-V61 PolarHBondContact O-N 2.84Å; P59-V61 VanDerWaalsContact O-N 3.08Å; P59-M62 HydrophobicContact CB-CG 4.22Å; P59-M62 HydrophobicContact CG-CG 4.38Å; P59-M62 WeakPolarHBondContact O-CB 3.31Å; P59-M62 PolarHBondContact O-N 2.99Å; P59-W63 PolarHBondContact O-N 3.16Å; P59-H104 HydrophobicContact CG-CB 4.31Å
60P90.8Very high79.7Confident100 Ų10081.6 Ų81.665%0.64939%0.385SS*.Hα-helixtrans-57.4-28.9-178.4-27.534.6000114.4M62 W63 R64P60-M62 VanDerWaalsContact C-N 3.32Å; P60-W63 PolarHBondContact O-N 3.47Å; P60-R64 WeakPolarHBondContact O-CB 3.45Å; P60-R64 PolarHBondContact O-N 3.03Å
61V90.1Very high78.9Confident35 Ų3575 Ų7521%0.21236%0.359CS..Hα-helixtrans-61.9-39.7174.863.20000111.6P59 R64 L65P59-V61 HydrophobicContact CB-CG1 4.01Å; P59-V61 PolarHBondContact O-N 2.84Å; P59-V61 VanDerWaalsContact O-N 3.08Å; V61-R64 WeakPolarHBondContact O-CB 3.45Å; V61-R64 PolarHBondContact O-N 2.87Å; V61-L65 HydrophobicContact CG2-CD1 4.21Å; V61-L65 HydrophobicContact CG2-CG 4.48Å; V61-L65 WeakPolarHBondContact O-CG 3.43Å; V61-L65 PolarHBondContact O-N 2.86Å
62M93.4Very high78.2Confident0 Ų077.1 Ų77.10%036%0.364CS..Hα-helixtrans-67.7-41.7-179.8-62.2-57.5-71.900111.3V58 P59 P60 R64 L65 F66 V102 H104 L234 L346 V354 L356V58-M62 HydrophobicContact CG1-CB 3.97Å; P59-M62 HydrophobicContact CB-CG 4.22Å; P59-M62 HydrophobicContact CG-CG 4.38Å; P59-M62 WeakPolarHBondContact O-CB 3.31Å; P59-M62 PolarHBondContact O-N 2.99Å; P60-M62 VanDerWaalsContact C-N 3.32Å; M62-R64 VanDerWaalsContact C-N 3.31Å; M62-R64 PolarHBondContact O-N 3.47Å; M62-L65 PolarHBondContact O-N 2.92Å; M62-F66 WeakPolarHBondContact O-CB 3.41Å; M62-F66 PolarHBondContact O-N 3.08Å; M62-V102 HydrophobicContact CE-CG1 4.39Å; M62-V102 HydrophobicContact SD-CG1 4.19Å; M62-H104 HydrophobicContact CG-CB 4.05Å; M62-H104 HydrophobicContact SD-CB 3.95Å; M62-L234 HydrophobicContact SD-CD1 4.45Å; M62-L346 HydrophobicContact CB-CD1 4.06Å; M62-L346 HydrophobicContact CE-CD1 4.01Å; M62-V354 HydrophobicContact CB-CG1 4.11Å; M62-V354 HydrophobicContact CE-CG1 3.92Å; M62-V354 HydrophobicContact CG-CB 4.4Å; M62-V354 HydrophobicContact CG-CG1 3.87Å; M62-L356 HydrophobicContact CE-CB 3.64Å
63W91.6Very high77.4Confident87 Ų8780.1 Ų80.133%0.3337%0.371SS..Hα-helixtrans-63.4-35.7172.7-81.4118.2000113.4V58 P59 P60 F66 R67 I284 A285 L346V58-W63 HydrophobicContact CG1-CG 4.27Å; P59-W63 PolarHBondContact O-N 3.16Å; P60-W63 PolarHBondContact O-N 3.47Å; W63-F66 HydrophobicContact CE3-CD1 4.27Å; W63-F66 HydrophobicContact CZ3-CD1 4.2Å; W63-R67 WeakPolarHBondContact O-CB 3.48Å; W63-R67 WeakPolarHBondContact O-CG 3.46Å; W63-R67 PolarHBondContact O-N 3.12Å; W63-R67 VanDerWaalsContact O-N 3.14Å; W63-R67 PolarHBondContact O-NE 3.48Å; W63-I284 HydrophobicContact CH2-CG2 3.72Å; W63-I284 HydrophobicContact CZ2-CG2 3.58Å; W63-A285 HydrophobicContact CH2-CB 3.99Å; W63-A285 HydrophobicContact CZ3-CB 3.9Å; W63-L346 HydrophobicContact CD2-CD2 4.23Å; W63-L346 HydrophobicContact CE3-CD2 4.11Å; W63-L346 HydrophobicContact CH2-CD2 4.39Å; W63-L346 HydrophobicContact CZ2-CD2 4.5Å; W63-L346 HydrophobicContact CZ3-CD2 4.19Å
64R90.6Very high75.9Confident155 Ų15582.5 Ų82.559%0.58539%0.385SS*.Hα-helixtrans-67.5-44177.5-169.6-173.3-57.1168.91.8111.3P60 V61 M62 R68P60-R64 WeakPolarHBondContact O-CB 3.45Å; P60-R64 PolarHBondContact O-N 3.03Å; V61-R64 WeakPolarHBondContact O-CB 3.45Å; V61-R64 PolarHBondContact O-N 2.87Å; M62-R64 VanDerWaalsContact C-N 3.31Å; M62-R64 PolarHBondContact O-N 3.47Å; R64-R68 PolarHBondContact O-N 2.91Å
65L90.1Very high75.2Confident4 Ų479.5 Ų79.52%0.02137%0.374CS..Hα-helixtrans-66.1-43177.4-67.7171.8000111.6V61 M62 R69 V92 E94 L95 V102 L356V61-L65 HydrophobicContact CG2-CD1 4.21Å; V61-L65 HydrophobicContact CG2-CG 4.48Å; V61-L65 WeakPolarHBondContact O-CG 3.43Å; V61-L65 PolarHBondContact O-N 2.86Å; M62-L65 PolarHBondContact O-N 2.92Å; L65-R69 PolarHBondContact O-N 3.43Å; L65-V92 HydrophobicContact CD2-CG1 4.08Å; L65-E94 HydrophobicContact CD2-CB 3.78Å; L65-E94 HydrophobicContact CD2-CG 4.1Å; L65-L95 HydrophobicContact CD1-CD1 4.42Å; L65-L95 HydrophobicContact CD2-CG 4.36Å; L65-V102 HydrophobicContact CD1-CG1 3.95Å; L65-L356 HydrophobicContact CB-CD2 3.49Å; L65-L356 VanDerWaalsContact CB-CD2 3.49Å
66F89.6Confident74Confident3 Ų376.9 Ų76.91%0.01337%0.369CS..Hα-helixtrans-60-52.9177.7175.8-96.9000112.1M62 W63 R68 R69 D70 A285 P286 S344 L346 L356M62-F66 WeakPolarHBondContact O-CB 3.41Å; M62-F66 PolarHBondContact O-N 3.08Å; W63-F66 HydrophobicContact CE3-CD1 4.27Å; W63-F66 HydrophobicContact CZ3-CD1 4.2Å; F66-R68 VanDerWaalsContact C-N 3.27Å; F66-R68 PolarHBondContact O-N 2.86Å; F66-R69 PolarHBondContact O-N 3.4Å; F66-D70 HydrophobicContact CE1-CB 4.36Å; F66-D70 HydrophobicContact CZ-CB 4.34Å; F66-D70 PolarHBondContact O-N 3.22Å; F66-A285 HydrophobicContact CD1-CB 4.31Å; F66-A285 HydrophobicContact CE1-CB 3.72Å; F66-A285 HydrophobicContact CE2-CB 4.04Å; F66-A285 HydrophobicContact CZ-CB 3.57Å; F66-P286 HydrophobicContact CZ-CB 4.42Å; F66-S344 WeakPolarHBondContact CE2-O 3.32Å; F66-L346 HydrophobicContact CB-CD2 4.32Å; F66-L346 HydrophobicContact CD2-CB 3.83Å; F66-L346 HydrophobicContact CE2-CB 4.32Å; F66-L346 HydrophobicContact CG-CB 4.32Å; F66-L346 HydrophobicContact CG-CD2 4.45Å; F66-L356 HydrophobicContact CB-CD1 4.12Å; F66-L356 HydrophobicContact CD2-CD1 3.81Å; F66-L356 HydrophobicContact CG-CD1 4.48Å
67R86.3Confident72.2Confident141 Ų14174.3 Ų74.353%0.53237%0.373SS..Hα-helixtrans-63.9-26.7-174.8-75.2-173-71.3-174.1-3.1114.7W63W63-R67 WeakPolarHBondContact O-CB 3.48Å; W63-R67 WeakPolarHBondContact O-CG 3.46Å; W63-R67 PolarHBondContact O-N 3.12Å; W63-R67 VanDerWaalsContact O-N 3.14Å; W63-R67 PolarHBondContact O-NE 3.48Å
68R77.2Confident69.9Low183 Ų18375.4 Ų75.469%0.69138%0.383SS*.Hα-helixtrans-79.8-26.5176-78-168.2174.7-98.15.7113.1R64 F66 E94R64-R68 PolarHBondContact O-N 2.91Å; F66-R68 VanDerWaalsContact C-N 3.27Å; F66-R68 PolarHBondContact O-N 2.86Å; R68-E94 WeakPolarHBondContact CB-OE1 3.48Å; R68-E94 WeakPolarHBondContact CD-OE1 3.43Å
69R70.4Confident67.2Low27 Ų2785.3 Ų85.310%0.10242%0.418CS..Hα-helixtrans-92.5-10.1178.7-75.7-177.8161.1-172.8-12.9114.1L65 F66 P71 H91 G99 S344L65-R69 PolarHBondContact O-N 3.43Å; F66-R69 PolarHBondContact O-N 3.4Å; R69-P71 WeakPolarHBondContact O-CD 3.43Å; R69-H91 PolarHBondContact NH2-O 2.88Å; R69-G99 PolarHBondContact NH2-O 3.04Å; R69-S344 WeakPolarHBondContact CB-OG 3.02Å
70D65.6Low64.5Low15 Ų1596.1 Ų96.18%0.0846%0.456CS..  trans-84.3106.4178.8-172.24.8000112F66 Q72 T74F66-D70 HydrophobicContact CE1-CB 4.36Å; F66-D70 HydrophobicContact CZ-CB 4.34Å; F66-D70 PolarHBondContact O-N 3.22Å; D70-Q72 PolarHBondContact O-N 2.79Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.41Å; D70-Q72 PolarHBondContact OD1-N 3.49Å; D70-T74 PolarHBondContact O-OG1 2.67Å
71P56.1Low61.7Low56 Ų5698 Ų9836%0.36446%0.458SS..Hα-helixtrans-68.5-18.8174.527-33.3000113.5R69 T74 R75R69-P71 WeakPolarHBondContact O-CD 3.43Å; P71-T74 VanDerWaalsContact C-OG1 3.3Å; P71-T74 WeakPolarHBondContact CA-OG1 3.47Å; P71-T74 PolarHBondContact O-OG1 2.76Å; P71-T74 VanDerWaalsContact O-OG1 3.09Å; P71-R75 WeakPolarHBondContact O-CG 3.3Å; P71-R75 PolarHBondContact O-N 3.03Å
72Q52.1Low58.8Low62 Ų62100.8 Ų100.829%0.2948%0.479SS..Hα-helixtrans-79.6-40.1-178.7-69.6-133.1-9100112.9D70 T74 R75D70-Q72 PolarHBondContact O-N 2.79Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.41Å; D70-Q72 PolarHBondContact OD1-N 3.49Å; Q72-T74 VanDerWaalsContact C-N 3.35Å; Q72-R75 PolarHBondContact O-N 2.8Å
73E48.2Very low56Low108 Ų108107.3 Ų107.351%0.50552%0.521SS..Hα-helixtrans-67.5-35.3173-86.9-161.6168.200112.1R75 S76E73-R75 VanDerWaalsContact C-N 3.29Å; E73-R75 PolarHBondContact O-N 3.46Å; E73-S76 PolarHBondContact O-N 2.83Å
74T39.3Very low53.3Low82 Ų82106.5 Ų106.550%0.50354%0.539SS..Hα-helixtrans-70.6-19.8177.244.20000113.8D70 P71 Q72 G77D70-T74 PolarHBondContact O-OG1 2.67Å; P71-T74 VanDerWaalsContact C-OG1 3.3Å; P71-T74 WeakPolarHBondContact CA-OG1 3.47Å; P71-T74 PolarHBondContact O-OG1 2.76Å; P71-T74 VanDerWaalsContact O-OG1 3.09Å; Q72-T74 VanDerWaalsContact C-N 3.35Å; T74-G77 VanDerWaalsContact O-O 3.08Å
75R43.6Very low50.7Low189 Ų189103.7 Ų103.771%0.71354%0.54SS*.Hα-helixtrans-77.3-20.4170.9-79.5177.7177.81691.8113.8P71 Q72 E73P71-R75 WeakPolarHBondContact O-CG 3.3Å; P71-R75 PolarHBondContact O-N 3.03Å; Q72-R75 PolarHBondContact O-N 2.8Å; E73-R75 VanDerWaalsContact C-N 3.29Å; E73-R75 PolarHBondContact O-N 3.46Å
76S40.2Very low48.4Very low112 Ų112109.2 Ų109.278%0.78357%0.574SS**Hα-helixtrans-87.5-15.2180-58.20000113.2E73E73-S76 PolarHBondContact O-N 2.83Å
77G35.4Very low46.7Very low44 Ų44114.6 Ų114.645%0.45460%0.602SS.*SBendtrans-104.2120.5169.100000110.4T74 R79T74-G77 VanDerWaalsContact O-O 3.08Å; G77-R79 VanDerWaalsContact C-N 3.27Å; G77-R79 PolarHBondContact O-N 2.95Å
78S35.8Very low45.3Very low133 Ų133114.1 Ų114.193%0.9361%0.606SS**  trans-61.581.8175.9174.90000112
79R34Very low44.6Very low232 Ų232108 Ų10888%0.87559%0.59SS**  trans-135.1104.5158.1-104.8-177.2-178-179.31108.3G77 M81G77-R79 VanDerWaalsContact C-N 3.27Å; G77-R79 PolarHBondContact O-N 2.95Å; R79-M81 PolarHBondContact O-N 2.77Å
80R33.7Very low44.9Very low250 Ų250107 Ų10794%0.94359%0.587SS**  trans-44.8109.9165.1-108.1176.9-101.4-156.1-6108.6S82R80-S82 PolarHBondContact O-N 2.91Å
81M33.5Very low45.7Very low141 Ų141108.4 Ų108.470%0.69559%0.593SS**  trans-63.2126.1165.2-169.671169.300106.9R79 V85R79-M81 PolarHBondContact O-N 2.77Å; M81-V85 HydrophobicContact CE-CB 4.27Å
82S28.8Very low47Very low92 Ų92105.8 Ų105.864%0.64358%0.576SS**  trans-57.5131.3173.8-650000109.5R80 G84R80-S82 PolarHBondContact O-N 2.91Å; S82-G84 PolarHBondContact O-N 3.09Å
83P35Very low48.2Very low138 Ų138107.2 Ų107.290%0.89658%0.583SS**THydrogen-bonded Turntrans-71.6100.4177.528.8-30.2000107.8
84G33.7Very low49.8Very low69 Ų69105.7 Ų105.771%0.71158%0.575SS**THydrogen-bonded Turntrans164.5-15177.700000117.3S82 T86S82-G84 PolarHBondContact O-N 3.09Å; G84-T86 PolarHBondContact O-N 2.78Å
85V36.1Very low51.9Low97 Ų97102.9 Ų102.959%0.58856%0.557SS**  trans-88.189.1172.5-172.30000108.2M81 L87M81-V85 HydrophobicContact CE-CB 4.27Å; V85-L87 PolarHBondContact O-N 3.19Å
86T42.8Very low53.8Low120 Ų12096.3 Ų96.374%0.73655%0.548SS*.  trans-61.2103.7159.948.50000106.8G84 Q88G84-T86 PolarHBondContact O-N 2.78Å; T86-Q88 PolarHBondContact O-N 2.85Å
87L52.8Low56.1Low115 Ų11591.7 Ų91.760%0.60252%0.515SS*.  trans-52.4112.7163.6-79.2158.1000106.5V85 P89V85-L87 PolarHBondContact O-N 3.19Å; L87-P89 WeakPolarHBondContact O-CD 3.13Å
88Q56.7Low58.5Low132 Ų13291.7 Ų91.762%0.61751%0.511SS*.  trans-59.2123.6173.8-80.9-116.4-59.800107.3T86 C90 H91T86-Q88 PolarHBondContact O-N 2.85Å; Q88-C90 PolarHBondContact O-N 2.91Å; Q88-H91 HydrophobicContact CB-CB 3.9Å; Q88-H91 PolarHBondContact O-N 3.49Å
89P62.3Low60.9Low54 Ų5485.4 Ų85.435%0.35147%0.467SS..THydrogen-bonded Turntrans-53131.6177.6-2533.5000109.4L87 H91 L246L87-P89 WeakPolarHBondContact O-CD 3.13Å; P89-H91 PolarHBondContact O-N 2.88Å; P89-L246 HydrophobicContact CG-CD1 3.94Å; P89-L246 HydrophobicContact CG-CG 3.96Å
90C76.9Confident63.5Low7 Ų774.4 Ų74.45%0.04743%0.425CS..THydrogen-bonded Turntrans58.844.9178.7-56.90000115.5Q88 G99 N100 L238 C243Q88-C90 PolarHBondContact O-N 2.91Å; C90-G99 CarbonylContact C-O 3.45Å; C90-G99 PolarHBondContact O-N 3.06Å; C90-N100 HydrophobicContact CB-CB 4.11Å; C90-L238 HydrophobicContact CB-CD1 3.5Å; C90-L238 VanDerWaalsContact CB-CD1 3.5Å; C90-C243 HydrophobicContact CB-CB 3.87Å; C90-C243 WeakPolarHBondContact CB-SG 3.17Å; C90-C243 WeakPolarHBondContact SG-CA 3.47Å; C90-C243 WeakPolarHBondContact SG-CB 3.46Å; C90-C243 CovalentContact SG-SG 2.02Å; C90-C243 PolarHBondContact SG-SG 3.45Å
91H82.1Confident66.2Low43 Ų4362.5 Ų62.520%0.19938%0.38CS..EExtended strand (participates in β ladder)trans-123.5135.1169.4-170.2-106.4000111.4R69 Q88 P89 E93 V97 A98R69-H91 PolarHBondContact NH2-O 2.88Å; Q88-H91 HydrophobicContact CB-CB 3.9Å; Q88-H91 PolarHBondContact O-N 3.49Å; P89-H91 PolarHBondContact O-N 2.88Å; H91-E93 IonicContact CE1-OE1 3.82Å; H91-E93 IonicContact CE1-OE2 3.91Å; H91-E93 IonicContact CG-OE1 3.72Å; H91-E93 IonicContact ND1-OE1 3.66Å; H91-E93 PolarHBondContact ND1-OE1 2.93Å; H91-E93 IonicContact ND1-OE2 3.51Å; H91-E93 PolarHBondContact ND1-OE2 2.82Å; H91-V97 PolarHBondContact CD2-O 3.21Å; H91-V97 PolarHBondContact NE2-N 3.4Å; H91-A98 PolarHBondContact CD2-N 3.47Å
92V83.6Confident69.1Low1 Ų155.8 Ų55.81%0.00635%0.347CS..EExtended strand (participates in β ladder)trans-96.388.3174-166.40000108.4L65 E94 L95 G96 V97 G99 V102 V236L65-V92 HydrophobicContact CD2-CG1 4.08Å; V92-E94 VanDerWaalsContact C-N 3.34Å; V92-E94 PolarHBondContact O-N 2.79Å; V92-L95 HydrophobicContact CB-CB 4.17Å; V92-L95 HydrophobicContact CG1-CB 3.91Å; V92-L95 HydrophobicContact CG1-CD1 3.92Å; V92-L95 HydrophobicContact CG1-CG 3.85Å; V92-L95 CarbonylContact O-C 3.5Å; V92-L95 PolarHBondContact O-N 2.94Å; V92-G96 PolarHBondContact O-N 3.19Å; V92-V97 HydrophobicContact CB-CG2 4.35Å; V92-V97 PolarHBondContact N-O 3.39Å; V92-V97 PolarHBondContact O-N 3.44Å; V92-G99 VanDerWaalsContact CG2-O 3.28Å; V92-G99 WeakPolarHBondContact CG2-O 3.46Å; V92-V102 HydrophobicContact CG1-CG2 4.37Å; V92-V102 HydrophobicContact CG2-CG2 3.91Å; V92-V236 HydrophobicContact CG2-CG1 3.76Å
93E78.8Confident72.2Confident93 Ų9351.9 Ų51.944%0.43532%0.318SS..G310 helixtrans-53.2-44.5-174.6-66.2-59.215000113.5H91 L95 G96H91-E93 IonicContact CE1-OE1 3.82Å; H91-E93 IonicContact CE1-OE2 3.91Å; H91-E93 IonicContact CG-OE1 3.72Å; H91-E93 IonicContact ND1-OE1 3.66Å; H91-E93 PolarHBondContact ND1-OE1 2.93Å; H91-E93 IonicContact ND1-OE2 3.51Å; H91-E93 PolarHBondContact ND1-OE2 2.82Å; E93-L95 PolarHBondContact O-N 2.8Å; E93-L95 VanDerWaalsContact O-N 3.17Å; E93-G96 PolarHBondContact O-N 3.38Å
94E80.7Confident75.1Confident75 Ų7546.5 Ų46.535%0.3528%0.281SS..G310 helixtrans-65.6-24.1-178.2-60.580.1-174.900113.1L65 R68 V92L65-E94 HydrophobicContact CD2-CB 3.78Å; L65-E94 HydrophobicContact CD2-CG 4.1Å; R68-E94 WeakPolarHBondContact CB-OE1 3.48Å; R68-E94 WeakPolarHBondContact CD-OE1 3.43Å; V92-E94 VanDerWaalsContact C-N 3.34Å; V92-E94 PolarHBondContact O-N 2.79Å
95L83.1Confident78Confident24 Ų2443.2 Ų43.213%0.12625%0.247CC..G310 helixtrans-98.9-12.8176.5-63-174.9000111L65 V92 E93 V97 R144 L234 V236L65-L95 HydrophobicContact CD1-CD1 4.42Å; L65-L95 HydrophobicContact CD2-CG 4.36Å; V92-L95 HydrophobicContact CB-CB 4.17Å; V92-L95 HydrophobicContact CG1-CB 3.91Å; V92-L95 HydrophobicContact CG1-CD1 3.92Å; V92-L95 HydrophobicContact CG1-CG 3.85Å; V92-L95 CarbonylContact O-C 3.5Å; V92-L95 PolarHBondContact O-N 2.94Å; E93-L95 PolarHBondContact O-N 2.8Å; E93-L95 VanDerWaalsContact O-N 3.17Å; L95-V97 VanDerWaalsContact C-N 3.25Å; L95-V97 HydrophobicContact CB-CG2 3.8Å; L95-V97 PolarHBondContact O-N 2.88Å; L95-R144 PolarHBondContact O-NH1 3.5Å; L95-R144 PolarHBondContact O-NH2 3.25Å; L95-L234 HydrophobicContact CD1-CD2 4.26Å; L95-L234 HydrophobicContact CD2-CD2 4.41Å; L95-V236 HydrophobicContact CD1-CG2 3.54Å
96G84.3Confident80.6Confident50 Ų5039.1 Ų39.152%0.51522%0.223SC..THydrogen-bonded Turntrans58.137.8-177.100000112.5V92 E93V92-G96 PolarHBondContact O-N 3.19Å; E93-G96 PolarHBondContact O-N 3.38Å
97V87.3Confident83Confident16 Ų1635.7 Ų35.710%0.09720%0.2CC..EExtended strand (participates in β ladder)trans-134146.3179-65.60000110.7H91 V92 L95 R144 V236H91-V97 PolarHBondContact CD2-O 3.21Å; H91-V97 PolarHBondContact NE2-N 3.4Å; V92-V97 HydrophobicContact CB-CG2 4.35Å; V92-V97 PolarHBondContact N-O 3.39Å; V92-V97 PolarHBondContact O-N 3.44Å; L95-V97 VanDerWaalsContact C-N 3.25Å; L95-V97 HydrophobicContact CB-CG2 3.8Å; L95-V97 PolarHBondContact O-N 2.88Å; V97-R144 HydrophobicContact CG1-CB 4.37Å; V97-R144 VanDerWaalsContact CG1-CZ 3.45Å; V97-R144 VanDerWaalsContact CG1-NH2 3.33Å; V97-R144 HydrophobicContact CG2-CB 4.39Å; V97-V236 HydrophobicContact CG2-CB 4.13Å; V97-V236 HydrophobicContact CG2-CG1 3.83Å; V97-V236 HydrophobicContact CG2-CG2 4.15Å
98A86.4Confident84.5Confident44 Ų4435.5 Ų35.536%0.36419%0.191SC..EExtended strand (participates in β ladder)trans-57.8143.7165.500000109.5H91 S143H91-A98 PolarHBondContact CD2-N 3.47Å; A98-S143 WeakPolarHBondContact O-CB 3.39Å; A98-S143 PolarHBondContact O-OG 3.14Å
99G87.3Confident84.8Confident0 Ų030.4 Ų30.40%017%0.174CC..  trans153.7139.6178.900000113.4R69 C90 V92 T237R69-G99 PolarHBondContact NH2-O 3.04Å; C90-G99 CarbonylContact C-O 3.45Å; C90-G99 PolarHBondContact O-N 3.06Å; V92-G99 VanDerWaalsContact CG2-O 3.28Å; V92-G99 WeakPolarHBondContact CG2-O 3.46Å; G99-T237 VanDerWaalsContact CA-O 3.26Å; G99-T237 WeakPolarHBondContact CA-O 3.24Å
100N86.8Confident84.2Confident1 Ų131.6 Ų31.61%0.00519%0.189CC..SBendtrans-113.8-6.6173.961.6-42000112.4C90 T237 L238 D239 L242 C243 R357 Q358C90-N100 HydrophobicContact CB-CB 4.11Å; N100-T237 PolarHBondContact N-O 3.4Å; N100-T237 PolarHBondContact OD1-O 2.82Å; N100-L238 WeakPolarHBondContact OD1-CA 3.42Å; N100-D239 PolarHBondContact OD1-N 3.47Å; N100-L242 WeakPolarHBondContact ND2-CB 3.44Å; N100-C243 VanDerWaalsContact CG-SG 3.59Å; N100-R357 WeakPolarHBondContact O-CA 3.24Å; N100-Q358 HydrophobicContact CB-CB 4.46Å; N100-Q358 PolarHBondContact O-N 3Å
101I91.3Very high82.8Confident0 Ų037.3 Ų37.30%023%0.225CC..EExtended strand (participates in β ladder)trans-128.6125.4178.7-47.3167.3000109.2R103 E140 V236 T237 D239 V355 L356 R357I101-R103 HydrophobicContact CG2-CG 4.28Å; I101-R103 VanDerWaalsContact CG2-NH1 3.29Å; I101-E140 HydrophobicContact CD1-CG 4.26Å; I101-E140 WeakPolarHBondContact CD1-OE2 3.32Å; I101-V236 WeakPolarHBondContact O-CA 3.41Å; I101-T237 PolarHBondContact N-O 2.98Å; I101-T237 PolarHBondContact O-N 2.93Å; I101-D239 HydrophobicContact CD1-CB 4.14Å; I101-V355 HydrophobicContact CG2-CG1 3.9Å; I101-L356 WeakPolarHBondContact CA-O 3.22Å; I101-R357 HydrophobicContact CG1-CG 4.05Å
102V94.3Very high80.8Confident0 Ų038.7 Ų38.70%024%0.237CC..EExtended strand (participates in β ladder)trans-120.3126.8174.8-175.50000108.3M62 L65 V92 L234 L235 V236 V355 L356M62-V102 HydrophobicContact CE-CG1 4.39Å; M62-V102 HydrophobicContact SD-CG1 4.19Å; L65-V102 HydrophobicContact CD1-CG1 3.95Å; V92-V102 HydrophobicContact CG1-CG2 4.37Å; V92-V102 HydrophobicContact CG2-CG2 3.91Å; V102-L234 HydrophobicContact CG1-CD1 3.81Å; V102-L235 CarbonylContact C-O 3.58Å; V102-L235 WeakPolarHBondContact CA-O 3.45Å; V102-V236 HydrophobicContact CG1-CG2 4.32Å; V102-V236 HydrophobicContact CG2-CG1 4.33Å; V102-V236 HydrophobicContact CG2-CG2 4.25Å; V102-V355 CarbonylContact O-C 3.48Å; V102-V355 WeakPolarHBondContact O-CA 3.38Å; V102-L356 HydrophobicContact CB-CB 4.31Å; V102-L356 PolarHBondContact N-O 3.1Å; V102-L356 PolarHBondContact O-N 3.49Å
103R94.7Very high78.5Confident11 Ų1150.1 Ų50.14%0.04228%0.28CS..EExtended strand (participates in β ladder)trans-119.5135.1178.1-56.9-174.4173.878.5-10110.1I101 I105 A135 E140 L234 L235 T237 V354 V355I101-R103 HydrophobicContact CG2-CG 4.28Å; I101-R103 VanDerWaalsContact CG2-NH1 3.29Å; R103-I105 HydrophobicContact CB-CD1 4.1Å; R103-I105 HydrophobicContact CB-CG1 3.9Å; R103-A135 PolarHBondContact NH2-O 2.82Å; R103-A135 VanDerWaalsContact NH2-O 3.08Å; R103-E140 IonicContact CZ-OE1 3.13Å; R103-E140 IonicContact CZ-OE2 3.83Å; R103-E140 IonicContact NH1-OE1 3.76Å; R103-E140 IonicContact NH1-OE2 2.77Å; R103-E140 PolarHBondContact NH1-OE2 3.27Å; R103-E140 VanDerWaalsContact NH2-CD 3.31Å; R103-E140 IonicContact NH2-OE1 3.36Å; R103-E140 PolarHBondContact NH2-OE1 3.35Å; R103-E140 IonicContact NH2-OE2 2.7Å; R103-E140 PolarHBondContact NH2-OE2 3.09Å; R103-E140 VanDerWaalsContact NH2-OE2 3.08Å; R103-L234 WeakPolarHBondContact O-CA 3.43Å; R103-L235 HydrophobicContact CB-CB 4.37Å; R103-L235 PolarHBondContact N-O 2.99Å; R103-L235 PolarHBondContact O-N 2.7Å; R103-T237 PolarHBondContact NH1-OG1 2.72Å; R103-T237 VanDerWaalsContact NH1-OG1 3.07Å; R103-V354 CarbonylContact C-O 3.6Å; R103-V354 WeakPolarHBondContact CA-O 3.41Å; R103-V355 HydrophobicContact CG-CG1 4.15Å; R103-V355 HydrophobicContact CG-CG2 4.04Å
104H95.3Very high76.4Confident25 Ų2550 Ų5012%0.11630%0.295CS..EExtended strand (participates in β ladder)trans-106.4109.4164.4176-74.5000108.5P59 M62 S232 V354P59-H104 HydrophobicContact CG-CB 4.31Å; M62-H104 HydrophobicContact CG-CB 4.05Å; M62-H104 HydrophobicContact SD-CB 3.95Å; H104-S232 VanDerWaalsContact CE1-CB 3.48Å; H104-S232 WeakPolarHBondContact CE1-CB 3.41Å; H104-S232 VanDerWaalsContact NE2-CB 3.33Å; H104-S232 WeakPolarHBondContact NE2-CB 3.02Å; H104-S232 PolarHBondContact NE2-OG 3.18Å; H104-S232 VanDerWaalsContact NE2-OG 3.1Å; H104-V354 HydrophobicContact CB-CB 4.42Å; H104-V354 PolarHBondContact N-O 2.96Å; H104-V354 PolarHBondContact O-N 3.42Å
105I94Very high74.3Confident0 Ų050.8 Ų50.80%031%0.308CS..EExtended strand (participates in β ladder)trans-109.1106.9-171.3-53.8179.6000107.7R103 F131 L133 S232 L233 L235 N353R103-I105 HydrophobicContact CB-CD1 4.1Å; R103-I105 HydrophobicContact CB-CG1 3.9Å; I105-F131 HydrophobicContact CG2-CB 3.89Å; I105-F131 HydrophobicContact CG2-CD1 4.16Å; I105-F131 HydrophobicContact CG2-CG 4.48Å; I105-F131 WeakPolarHBondContact O-CD1 3.38Å; I105-L133 HydrophobicContact CD1-CD2 3.33Å; I105-L133 HydrophobicContact CG2-CD2 4.45Å; I105-S232 CarbonylContact O-C 3.55Å; I105-S232 WeakPolarHBondContact O-CA 3.47Å; I105-L233 HydrophobicContact CB-CB 4.27Å; I105-L233 PolarHBondContact N-O 3.01Å; I105-L233 PolarHBondContact O-N 2.75Å; I105-L235 HydrophobicContact CD1-CB 4.35Å; I105-L235 HydrophobicContact CD1-CD2 4.21Å; I105-N353 HydrophobicContact CG1-CB 4.3Å; I105-N353 WeakPolarHBondContact CG2-OD1 3.23Å
106P92.3Very high72.1Confident10 Ų1056.3 Ų56.37%0.06534%0.338CS..EExtended strand (participates in β ladder)trans-72.8156.8178.433.4-36.5000111R108 N353P106-R108 PolarHBondContact O-N 3.4Å; P106-N353 WeakPolarHBondContact CD-OD1 3.4Å
107D91.8Very high70Confident48 Ų4859.8 Ų59.826%0.25735%0.352SS..  trans-60.6132.7166.7-178.826.3000111.1G109 V129 V130 F131 A231D107-G109 WeakPolarHBondContact OD1-CA 3.48Å; D107-G109 PolarHBondContact OD1-N 3.01Å; D107-V129 HydrophobicContact CB-CB 4.44Å; D107-V129 WeakPolarHBondContact OD1-CA 3.42Å; D107-V130 PolarHBondContact OD1-N 3.37Å; D107-F131 HydrophobicContact CB-CE1 4.21Å; D107-A231 HydrophobicContact CB-CB 4.1Å; D107-A231 WeakPolarHBondContact CB-O 3.31Å; D107-A231 PolarHBondContact N-O 3.14Å
108R84.2Confident67.7Low111 Ų11162.8 Ų62.842%0.41938%0.378SS..  trans-102.6-1.1173-67.6-162.3169.8-153.8-33.4112.6P106 V130 D132 S351 D352P106-R108 PolarHBondContact O-N 3.4Å; R108-V130 PolarHBondContact N-O 3.35Å; R108-D132 IonicContact CZ-OD2 3.08Å; R108-D132 IonicContact NE-OD2 3.42Å; R108-D132 IonicContact NH1-OD2 2.85Å; R108-D132 PolarHBondContact NH1-OD2 2.98Å; R108-S351 PolarHBondContact NH2-O 3.09Å; R108-D352 IonicContact NH2-OD2 3.67Å
109G63.8Low65.8Low25 Ų2566.1 Ų66.126%0.25840%0.399SS..  trans-53.7136.3179.600000112.2D107D107-G109 WeakPolarHBondContact OD1-CA 3.48Å; D107-G109 PolarHBondContact OD1-N 3.01Å
110A49.9Very low63.9Low80 Ų8068.8 Ų68.866%0.66142%0.421SS*.  trans-56150.8167.500000109.4T112A110-T112 PolarHBondContact O-N 3.48Å
111P46.2Very low62.3Low126 Ų12675.2 Ų75.282%0.81846%0.46SS*.  trans-52.7113.4168.122.9-31.3000106.9R113P111-R113 PolarHBondContact O-N 2.8Å
112T39.9Very low60.6Low72 Ų7278.5 Ų78.544%0.44249%0.494SS..  trans-49.4117.6169.841.70000105.3A110 A114A110-T112 PolarHBondContact O-N 3.48Å; T112-A114 PolarHBondContact O-N 2.89Å
113R36.5Very low59.6Low242 Ų24285.7 Ų85.791%0.91353%0.527SS*.  trans-41.2118.6166.3-101.9179.9173155.5-2.5105P111 S115P111-R113 PolarHBondContact O-N 2.8Å; R113-S115 PolarHBondContact O-N 3.02Å
114A35.3Very low58.9Low90 Ų9086.3 Ų86.374%0.74453%0.533SS*.  trans-47.8111.4169.500000105.3T112 D116T112-A114 PolarHBondContact O-N 2.89Å; A114-D116 PolarHBondContact O-N 3.02Å
115S36.6Very low58.2Low91 Ų9187.2 Ų87.264%0.63654%0.541SS*.  trans-53.8124.915648.70000104.4R113R113-S115 PolarHBondContact O-N 3.02Å
116D35.4Very low57.8Low140 Ų14091.8 Ų91.875%0.74956%0.562SS**  trans-37.8149.1-177.4-96.3-46.5000112.7A114 A118A114-D116 PolarHBondContact O-N 3.02Å; D116-A118 PolarHBondContact O-N 3.15Å
117P41.5Very low57.5Low123 Ų12392.2 Ų92.280%0.79956%0.563SS**SBendtrans-72.671.1179.334.2-34.4000109.8
118A39Very low57.4Low79 Ų7993.3 Ų93.365%0.65357%0.571SS**  trans-115.176.1153.800000105.6D116 A120D116-A118 PolarHBondContact O-N 3.15Å; A118-A120 PolarHBondContact O-N 3.11Å
119S45.8Very low57.7Low115 Ų11588 Ų8880%0.80455%0.551SS**  trans-62.172158-58.60000108.3V121S119-V121 PolarHBondContact O-N 3.16Å
120A47.8Very low59Low55 Ų5588.3 Ų88.346%0.45555%0.548SS..  trans-61.8120.6158.200000105.5A118 G122 H123A118-A120 PolarHBondContact O-N 3.11Å; A120-G122 PolarHBondContact O-N 2.83Å; A120-H123 PolarHBondContact O-N 2.77Å
121V52.3Low61Low136 Ų13684.5 Ų84.582%0.82452%0.516SS*.THydrogen-bonded Turntrans-44.3112174.1176.70000108.1S119S119-V121 PolarHBondContact O-N 3.16Å
122G56.9Low63.2Low69 Ų6979.4 Ų79.471%0.71148%0.482SS*.THydrogen-bonded Turntrans113.4-11.2179.600000117.7A120A120-G122 PolarHBondContact O-N 2.83Å
123H72.7Confident65.6Low152 Ų15276.1 Ų76.170%0.70446%0.462SS*.  trans-110.285.5177.9-66.790.4000112A120A120-H123 PolarHBondContact O-N 2.77Å
124C78.8Confident68Low24 Ų2468 Ų6816%0.16244%0.442CS..PPolyproline II helixtrans-75.5144.1175.1-66.20000112.3P219 C225C124-P219 VanDerWaalsContact SG-CD 3.59Å; C124-C225 WeakPolarHBondContact CA-SG 3.4Å; C124-C225 HydrophobicContact CB-CB 3.75Å; C124-C225 WeakPolarHBondContact CB-SG 3.44Å; C124-C225 WeakPolarHBondContact SG-CB 3.43Å; C124-C225 CovalentContact SG-SG 2.04Å; C124-C225 PolarHBondContact SG-SG 2.83Å
125P80.6Confident70.4Confident44 Ų4465.4 Ų65.429%0.28642%0.42SS..PPolyproline II helixtrans-64.9145.4-18027.4-34.6000111.2W127P125-W127 HydrophobicContact CB-CZ2 4.41Å; P125-W127 HydrophobicContact CG-CH2 4.29Å; P125-W127 HydrophobicContact CG-CZ2 3.66Å
126E85.6Confident72.9Confident95 Ų9561.7 Ų61.744%0.44439%0.394SS..EExtended strand (participates in β ladder)trans-102.5141.1170.3-58.1-170.1165.100108.9L215 A216 R218E126-L215 WeakPolarHBondContact CA-O 3.33Å; E126-A216 HydrophobicContact CG-CB 3.93Å; E126-R218 IonicContact OE1-NH2 3.95Å; E126-R218 PolarHBondContact OE1-NH2 2.72Å; E126-R218 VanDerWaalsContact OE1-NH2 3.16Å
127W87.9Confident75.3Confident20 Ų2056.9 Ų56.98%0.07637%0.367CS..EExtended strand (participates in β ladder)trans-115.6139.6-178-55-79000110.7P125 F151 A214 L215 L217 A226 L228P125-W127 HydrophobicContact CB-CZ2 4.41Å; P125-W127 HydrophobicContact CG-CH2 4.29Å; P125-W127 HydrophobicContact CG-CZ2 3.66Å; W127-F151 HydrophobicContact CH2-CE1 4.09Å; W127-F151 AromaticContact CZ3-CE1 3.92Å; W127-F151 HydrophobicContact CZ3-CE1 3.92Å; W127-A214 CarbonylContact O-C 3.55Å; W127-A214 WeakPolarHBondContact O-CA 3.38Å; W127-L215 HydrophobicContact CB-CB 4.44Å; W127-L215 HydrophobicContact CE3-CB 4.33Å; W127-L215 PolarHBondContact N-O 2.66Å; W127-L215 PolarHBondContact O-N 3.46Å; W127-L217 HydrophobicContact CH2-CB 4.31Å; W127-L217 HydrophobicContact CZ3-CB 3.89Å; W127-A226 VanDerWaalsContact CH2-O 3.3Å; W127-A226 WeakPolarHBondContact CH2-O 3.3Å; W127-A226 VanDerWaalsContact CZ2-O 3.22Å; W127-A226 WeakPolarHBondContact CZ2-O 3.35Å; W127-L228 HydrophobicContact CB-CD2 3.94Å; W127-L228 HydrophobicContact CD2-CB 3.76Å; W127-L228 HydrophobicContact CD2-CD2 4.21Å; W127-L228 HydrophobicContact CE3-CB 4.27Å; W127-L228 HydrophobicContact CG-CB 4.04Å; W127-L228 HydrophobicContact CG-CD2 3.92Å; W127-L228 HydrophobicContact CZ2-CB 4.09Å
128T88.5Confident77.3Confident70 Ų7056.6 Ų56.643%0.42937%0.368SS..EExtended strand (participates in β ladder)trans-108.5115.7171.7-59.90000109.1A168 L213T128-A168 HydrophobicContact CG2-CB 4.29Å; T128-L213 WeakPolarHBondContact CA-O 3.42Å
129V90.6Very high79.5Confident1 Ų154.4 Ų54.41%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-106.1145.3176.9-60.10000110.3D107 F131 R212 L213 L215 L228 A231D107-V129 HydrophobicContact CB-CB 4.44Å; D107-V129 WeakPolarHBondContact OD1-CA 3.42Å; V129-F131 HydrophobicContact CB-CE2 4.32Å; V129-F131 HydrophobicContact CB-CZ 4.24Å; V129-F131 HydrophobicContact CG2-CE2 3.65Å; V129-F131 HydrophobicContact CG2-CZ 3.91Å; V129-R212 WeakPolarHBondContact O-CA 3.45Å; V129-L213 HydrophobicContact CG2-CB 3.83Å; V129-L213 PolarHBondContact N-O 3.25Å; V129-L213 PolarHBondContact O-N 3.24Å; V129-L215 HydrophobicContact CB-CD1 4.45Å; V129-L215 HydrophobicContact CG1-CD1 3.71Å; V129-L215 HydrophobicContact CG2-CD1 3.83Å; V129-L215 HydrophobicContact CG2-CG 4.13Å; V129-L228 HydrophobicContact CG1-CD2 4.13Å; V129-A231 HydrophobicContact CG1-CB 3.83Å
130V91.5Very high81.5Confident30 Ų3049.3 Ų49.318%0.18231%0.314CS..EExtended strand (participates in β ladder)trans-130.7116.8-175.7-174.30000110D107 R108 S210 L211 R212D107-V130 PolarHBondContact OD1-N 3.37Å; R108-V130 PolarHBondContact N-O 3.35Å; V130-S210 VanDerWaalsContact CG1-OG 3.28Å; V130-S210 WeakPolarHBondContact CG1-OG 3.35Å; V130-L211 CarbonylContact C-O 3.58Å; V130-L211 WeakPolarHBondContact CA-O 3.43Å; V130-R212 HydrophobicContact CG1-CG 4.13Å; V130-R212 HydrophobicContact CG2-CG 4.04Å
131F92.3Very high83.4Confident0 Ų054.3 Ų54.30%032%0.321CS..EExtended strand (participates in β ladder)trans-104133.7176-56.2-69.2000110.3I105 D107 V129 L133 L147 S210 L211 L213 L233I105-F131 HydrophobicContact CG2-CB 3.89Å; I105-F131 HydrophobicContact CG2-CD1 4.16Å; I105-F131 HydrophobicContact CG2-CG 4.48Å; I105-F131 WeakPolarHBondContact O-CD1 3.38Å; D107-F131 HydrophobicContact CB-CE1 4.21Å; V129-F131 HydrophobicContact CB-CE2 4.32Å; V129-F131 HydrophobicContact CB-CZ 4.24Å; V129-F131 HydrophobicContact CG2-CE2 3.65Å; V129-F131 HydrophobicContact CG2-CZ 3.91Å; F131-L133 HydrophobicContact CB-CD2 4.38Å; F131-L147 HydrophobicContact CE2-CD1 3.72Å; F131-L147 HydrophobicContact CZ-CD1 3.51Å; F131-S210 WeakPolarHBondContact O-CA 3.4Å; F131-S210 PolarHBondContact O-OG 2.86Å; F131-L211 HydrophobicContact CB-CB 4.36Å; F131-L211 HydrophobicContact CD2-CD2 3.88Å; F131-L211 HydrophobicContact CD2-CG 4.49Å; F131-L211 PolarHBondContact N-O 3.38Å; F131-L211 PolarHBondContact O-N 3.13Å; F131-L213 HydrophobicContact CE2-CD1 4.15Å; F131-L233 HydrophobicContact CB-CD2 4.29Å; F131-L233 HydrophobicContact CD1-CB 3.82Å; F131-L233 HydrophobicContact CD2-CB 4.28Å; F131-L233 HydrophobicContact CD2-CD2 4.35Å; F131-L233 HydrophobicContact CE1-CB 3.93Å; F131-L233 HydrophobicContact CE2-CB 4.36Å; F131-L233 HydrophobicContact CG-CB 4Å; F131-L233 HydrophobicContact CG-CD2 4.23Å; F131-L233 HydrophobicContact CZ-CB 4.19Å
132D91Very high85.1Confident20 Ų2048.6 Ų48.611%0.10729%0.286CS..EExtended strand (participates in β ladder)trans-92.4113.8175.8-175.92.2000110.1R108 S134 S351 N353R108-D132 IonicContact CZ-OD2 3.08Å; R108-D132 IonicContact NE-OD2 3.42Å; R108-D132 IonicContact NH1-OD2 2.85Å; R108-D132 PolarHBondContact NH1-OD2 2.98Å; D132-S134 WeakPolarHBondContact OD1-CB 3.46Å; D132-S134 PolarHBondContact OD1-N 2.96Å; D132-S134 PolarHBondContact OD1-OG 3.4Å; D132-S351 VanDerWaalsContact CG-OG 3.31Å; D132-S351 VanDerWaalsContact OD2-CB 3.31Å; D132-S351 WeakPolarHBondContact OD2-CB 3.05Å; D132-S351 PolarHBondContact OD2-OG 2.93Å; D132-N353 PolarHBondContact O-ND2 3.09Å
133L90.8Very high86.7Confident2 Ų246.7 Ų46.71%0.0126%0.262CS..  trans-110.214.3-178-51.6-177.1000111.4I105 F131 A135 V136 W201 W207 P208 R209 L211 L233I105-L133 HydrophobicContact CD1-CD2 3.33Å; I105-L133 HydrophobicContact CG2-CD2 4.45Å; F131-L133 HydrophobicContact CB-CD2 4.38Å; L133-A135 PolarHBondContact O-N 3.02Å; L133-A135 VanDerWaalsContact O-N 3.08Å; L133-V136 HydrophobicContact CB-CG2 4.13Å; L133-V136 WeakPolarHBondContact O-CB 3.42Å; L133-V136 PolarHBondContact O-N 3.08Å; L133-W201 HydrophobicContact CD1-CH2 3.86Å; L133-W201 HydrophobicContact CD1-CZ2 3.48Å; L133-W201 VanDerWaalsContact CD1-CZ2 3.48Å; L133-W207 HydrophobicContact CD1-CE3 3.99Å; L133-W207 HydrophobicContact CD1-CZ3 4.33Å; L133-P208 WeakPolarHBondContact CB-O 3.32Å; L133-P208 HydrophobicContact CD1-CG 4.28Å; L133-R209 CarbonylContact C-O 3.57Å; L133-R209 PolarHBondContact N-O 2.97Å; L133-L211 HydrophobicContact CD1-CB 4Å; L133-L233 HydrophobicContact CD2-CD2 4.05Å
134S88.1Confident87.6Confident72 Ų7241.5 Ų41.550%0.50324%0.236SC..THydrogen-bonded Turntrans-59.7-22.9-177-56.50000113.5D132 R209D132-S134 WeakPolarHBondContact OD1-CB 3.46Å; D132-S134 PolarHBondContact OD1-N 2.96Å; D132-S134 PolarHBondContact OD1-OG 3.4Å; S134-R209 PolarHBondContact N-O 2.86Å; S134-R209 PolarHBondContact OG-O 3.41Å
135A85.8Confident88.2Confident35 Ų3540.3 Ų40.329%0.28923%0.229SC..THydrogen-bonded Turntrans-87.41.117700000114.5R103 L133 D349R103-A135 PolarHBondContact NH2-O 2.82Å; R103-A135 VanDerWaalsContact NH2-O 3.08Å; L133-A135 PolarHBondContact O-N 3.02Å; L133-A135 VanDerWaalsContact O-N 3.08Å; A135-D349 HydrophobicContact CB-CB 4.24Å; A135-D349 WeakPolarHBondContact CB-OD2 3.44Å
136V88.6Confident88.9Confident14 Ų1440.3 Ų40.39%0.08522%0.223CC..SBendtrans-89.7120.6174.6-170.40000108.7L133 E140 W207 L235 T237L133-V136 HydrophobicContact CB-CG2 4.13Å; L133-V136 WeakPolarHBondContact O-CB 3.42Å; L133-V136 PolarHBondContact O-N 3.08Å; V136-E140 HydrophobicContact CG1-CB 4.19Å; V136-W207 HydrophobicContact CB-CB 4.47Å; V136-W207 HydrophobicContact CB-CD2 4.45Å; V136-W207 HydrophobicContact CB-CG 4.18Å; V136-W207 HydrophobicContact CG1-CB 4.4Å; V136-W207 VanDerWaalsContact CG1-CD1 3.44Å; V136-W207 HydrophobicContact CG1-CD2 3.77Å; V136-W207 HydrophobicContact CG1-CG 3.63Å; V136-W207 HydrophobicContact CG1-CZ2 4.39Å; V136-L235 HydrophobicContact CG2-CD2 3.82Å; V136-T237 HydrophobicContact CG1-CG2 4.39Å
137E86.1Confident89.3Confident39 Ų3935.8 Ų35.818%0.18220%0.201CC..  trans-76.7153.3-179-56.7-160.8157.600112.2A139 E140 R241E137-A139 PolarHBondContact O-N 3.39Å; E137-E140 HydrophobicContact CB-CG 4.11Å; E137-E140 PolarHBondContact N-OE1 2.85Å; E137-E140 WeakPolarHBondContact O-CB 3.49Å; E137-E140 PolarHBondContact O-N 2.92Å; E137-E140 VanDerWaalsContact O-N 3.1Å; E137-R241 IonicContact OE2-CZ 3.69Å; E137-R241 IonicContact OE2-NH1 3.08Å; E137-R241 IonicContact OE2-NH2 3.83Å; E137-R241 PolarHBondContact OE2-NH2 2.91Å
138S83.2Confident89.6Confident116 Ų11636 Ų3681%0.81120%0.204SC*.THydrogen-bonded Turntrans-64.8-22.6178.454.30000113.8E140S138-E140 VanDerWaalsContact C-N 3.31Å
139A85.1Confident89.9Confident34 Ų3432.8 Ų32.828%0.28118%0.183SC..THydrogen-bonded Turntrans-77.3-17.4176.400000113E137E137-A139 PolarHBondContact O-N 3.39Å
140E88Confident89.9Confident8 Ų838.7 Ų38.74%0.03721%0.206CC..PPolyproline II helixtrans-77.6125.8-176.1-67.9-177.2-125.300111.8I101 R103 V136 E137 S138 W207 T237 D239I101-E140 HydrophobicContact CD1-CG 4.26Å; I101-E140 WeakPolarHBondContact CD1-OE2 3.32Å; R103-E140 IonicContact CZ-OE1 3.13Å; R103-E140 IonicContact CZ-OE2 3.83Å; R103-E140 IonicContact NH1-OE1 3.76Å; R103-E140 IonicContact NH1-OE2 2.77Å; R103-E140 PolarHBondContact NH1-OE2 3.27Å; R103-E140 VanDerWaalsContact NH2-CD 3.31Å; R103-E140 IonicContact NH2-OE1 3.36Å; R103-E140 PolarHBondContact NH2-OE1 3.35Å; R103-E140 IonicContact NH2-OE2 2.7Å; R103-E140 PolarHBondContact NH2-OE2 3.09Å; R103-E140 VanDerWaalsContact NH2-OE2 3.08Å; V136-E140 HydrophobicContact CG1-CB 4.19Å; E137-E140 HydrophobicContact CB-CG 4.11Å; E137-E140 PolarHBondContact N-OE1 2.85Å; E137-E140 WeakPolarHBondContact O-CB 3.49Å; E137-E140 PolarHBondContact O-N 2.92Å; E137-E140 VanDerWaalsContact O-N 3.1Å; S138-E140 VanDerWaalsContact C-N 3.31Å; E140-W207 PolarHBondContact O-NE1 2.87Å; E140-T237 HydrophobicContact CB-CG2 4.38Å; E140-T237 WeakPolarHBondContact OE2-CB 3.43Å; E140-T237 PolarHBondContact OE2-OG1 3.19Å; E140-D239 HydrophobicContact CG-CB 4.26Å
141R87.7Confident89.7Confident160 Ų16038 Ų3860%0.60420%0.2SC*.EExtended strand (participates in β ladder)trans-92.4131.9177.7-61.3-178.1-179.1-173.6-0.6110.4T237 L238R141-T237 CarbonylContact O-C 3.5Å; R141-T237 VanDerWaalsContact O-CA 3.26Å; R141-T237 WeakPolarHBondContact O-CA 3.48Å; R141-L238 PolarHBondContact N-O 3.27Å; R141-L238 PolarHBondContact O-N 3.48Å
142P88.1Confident89.2Confident16 Ų1639.7 Ų39.710%0.10421%0.214CC..EExtended strand (participates in β ladder)trans-68.1133.5174.922.7-28.5000111.6L197 W207P142-L197 HydrophobicContact CB-CD1 3.58Å; P142-L197 HydrophobicContact CG-CD1 3.93Å; P142-W207 HydrophobicContact CB-CH2 3.68Å; P142-W207 HydrophobicContact CB-CZ2 3.45Å; P142-W207 VanDerWaalsContact CB-CZ2 3.45Å; P142-W207 HydrophobicContact CG-CH2 4.37Å; P142-W207 HydrophobicContact CG-CZ2 3.94Å
143S89.5Confident87.8Confident29 Ų2944 Ų4420%0.20325%0.252CS..EExtended strand (participates in β ladder)trans-117.9-26.4171.5-55.90000112.2A98 L197 V236A98-S143 WeakPolarHBondContact O-CB 3.39Å; A98-S143 PolarHBondContact O-OG 3.14Å; S143-L197 WeakPolarHBondContact O-CD2 3.21Å; S143-V236 PolarHBondContact N-O 2.88Å
144R91.4Very high86.5Confident42 Ų4245.2 Ų45.216%0.15826%0.263CS..EExtended strand (participates in β ladder)trans-152.4142.7167.6178.2162.8-75.2149.64.5111.4L95 V97 R146 E195 L235 V236L95-R144 PolarHBondContact O-NH1 3.5Å; L95-R144 PolarHBondContact O-NH2 3.25Å; V97-R144 HydrophobicContact CG1-CB 4.37Å; V97-R144 VanDerWaalsContact CG1-CZ 3.45Å; V97-R144 VanDerWaalsContact CG1-NH2 3.33Å; V97-R144 HydrophobicContact CG2-CB 4.39Å; R144-R146 HydrophobicContact CG-CB 4.25Å; R144-E195 WeakPolarHBondContact CG-OE2 2.92Å; R144-E195 IonicContact NE-OE1 2.98Å; R144-E195 IonicContact NE-OE2 3.28Å; R144-L235 WeakPolarHBondContact O-CA 3.41Å; R144-L235 VanDerWaalsContact O-CD1 3.26Å; R144-L235 WeakPolarHBondContact O-CD1 3.41Å; R144-V236 HydrophobicContact CB-CB 3.97Å; R144-V236 HydrophobicContact CB-CG2 4Å; R144-V236 PolarHBondContact N-O 3.48Å; R144-V236 VanDerWaalsContact N-O 3.08Å; R144-V236 PolarHBondContact O-N 3.08Å
145A93.2Very high85.6Confident0 Ų048.2 Ų48.20%028%0.278CS..EExtended strand (participates in β ladder)trans-136.3101.4167.800000108.2L196 L197 W201 L233 L235A145-L196 HydrophobicContact CB-CB 4.35Å; A145-L196 PolarHBondContact O-N 3.02Å; A145-L197 HydrophobicContact CB-CB 4.4Å; A145-W201 HydrophobicContact CB-CE3 4.01Å; A145-W201 HydrophobicContact CB-CZ3 3.84Å; A145-L233 HydrophobicContact CB-CD1 4.49Å; A145-L235 HydrophobicContact CB-CD1 3.91Å
146R94Very high84.8Confident43 Ų4349.3 Ų49.316%0.16229%0.287CS..EExtended strand (participates in β ladder)trans-113.9116.9-175.8175.6-178.3-68.2175.10.9110.1R144 E148 R193 A194 E195 L234R144-R146 HydrophobicContact CG-CB 4.25Å; R146-E148 HydrophobicContact CG-CG 4.19Å; R146-R193 HydrophobicContact CG-CB 4.27Å; R146-R193 HydrophobicContact CG-CG 4.45Å; R146-A194 CarbonylContact C-O 3.42Å; R146-A194 WeakPolarHBondContact CA-O 3.35Å; R146-E195 IonicContact CZ-OE1 3.16Å; R146-E195 IonicContact NE-OE1 3.12Å; R146-E195 PolarHBondContact NE-OE1 2.81Å; R146-E195 IonicContact NH2-OE1 2.67Å; R146-E195 PolarHBondContact NH2-OE1 3.38Å; R146-L234 HydrophobicContact CB-CB 4.4Å; R146-L234 PolarHBondContact N-O 2.77Å; R146-L234 PolarHBondContact O-N 3.48Å
147L94.9Very high84.3Confident0 Ų049.2 Ų49.20%029%0.287CS..EExtended strand (participates in β ladder)trans-76.9126.9169.7-176.466.3000109.1F131 L149 V165 R193 A194 L196 L213 L215F131-L147 HydrophobicContact CE2-CD1 3.72Å; F131-L147 HydrophobicContact CZ-CD1 3.51Å; L147-L149 HydrophobicContact CD1-CD2 3.92Å; L147-L149 HydrophobicContact CD2-CD1 4.01Å; L147-L149 HydrophobicContact CD2-CD2 4.06Å; L147-L149 HydrophobicContact CD2-CG 4.12Å; L147-L149 HydrophobicContact CG-CD1 4.39Å; L147-L149 HydrophobicContact CG-CD2 3.83Å; L147-L149 HydrophobicContact CG-CG 3.95Å; L147-V165 HydrophobicContact CD2-CG2 4.27Å; L147-R193 VanDerWaalsContact O-CA 3.32Å; L147-R193 WeakPolarHBondContact O-CA 3.06Å; L147-A194 HydrophobicContact CB-CB 4.25Å; L147-A194 PolarHBondContact N-O 2.87Å; L147-A194 PolarHBondContact O-N 2.82Å; L147-L196 HydrophobicContact CB-CD1 3.99Å; L147-L196 HydrophobicContact CB-CG 4.18Å; L147-L213 HydrophobicContact CD2-CD1 4.34Å; L147-L215 HydrophobicContact CD2-CD2 3.84Å
148E94.5Very high83.9Confident26 Ų2655.4 Ų55.412%0.12132%0.316CS..EExtended strand (participates in β ladder)trans-114.9120.3174.3-56.5-157.3134.300109.3R146 V192 R193 A231 S232R146-E148 HydrophobicContact CG-CG 4.19Å; E148-V192 WeakPolarHBondContact CA-O 3.42Å; E148-R193 HydrophobicContact CG-CG 4.28Å; E148-R193 IonicContact OE1-NE 3.91Å; E148-R193 PolarHBondContact OE1-NE 3Å; E148-R193 VanDerWaalsContact OE1-NE 3.12Å; E148-A231 WeakPolarHBondContact O-CA 3.48Å; E148-S232 PolarHBondContact N-O 3.17Å; E148-S232 PolarHBondContact O-N 2.74Å
149L93.1Very high83.7Confident1 Ų152.3 Ų52.31%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-120.2132.7-177.3-54.9174.6000110L147 F151 L163 P191 V192 L215 L228 A231L147-L149 HydrophobicContact CD1-CD2 3.92Å; L147-L149 HydrophobicContact CD2-CD1 4.01Å; L147-L149 HydrophobicContact CD2-CD2 4.06Å; L147-L149 HydrophobicContact CD2-CG 4.12Å; L147-L149 HydrophobicContact CG-CD1 4.39Å; L147-L149 HydrophobicContact CG-CD2 3.83Å; L147-L149 HydrophobicContact CG-CG 3.95Å; L149-F151 HydrophobicContact CB-CD2 4.42Å; L149-F151 HydrophobicContact CB-CE2 3.63Å; L149-F151 HydrophobicContact CB-CZ 4.02Å; L149-F151 HydrophobicContact CD1-CE2 4.23Å; L149-F151 HydrophobicContact CD1-CZ 4.01Å; L149-L163 HydrophobicContact CD1-CD1 3.97Å; L149-L163 HydrophobicContact CD1-CD2 3.94Å; L149-P191 CarbonylContact O-C 3.48Å; L149-P191 VanDerWaalsContact O-CA 3.31Å; L149-P191 WeakPolarHBondContact O-CA 3.49Å; L149-V192 HydrophobicContact CB-CB 4.34Å; L149-V192 PolarHBondContact N-O 2.65Å; L149-V192 PolarHBondContact O-N 2.82Å; L149-L215 HydrophobicContact CD1-CD1 4.05Å; L149-L215 HydrophobicContact CD2-CD1 3.64Å; L149-L228 HydrophobicContact CB-CD1 4.02Å; L149-L228 HydrophobicContact CD2-CD1 4.08Å; L149-A231 HydrophobicContact CD2-CB 3.61Å
150R90.8Very high83.9Confident126 Ų12650.9 Ų50.948%0.47529%0.291SS..EExtended strand (participates in β ladder)trans-112.5129.6171.4-67.3-179.5174.1-86.80.5109.2P191 A229 E230R150-P191 HydrophobicContact CG-CB 4.02Å; R150-A229 WeakPolarHBondContact O-CA 3.46Å; R150-A229 WeakPolarHBondContact O-CB 3.38Å; R150-A229 PolarHBondContact O-N 3.43Å; R150-E230 HydrophobicContact CB-CB 4.17Å; R150-E230 WeakPolarHBondContact CD-OE2 3.49Å; R150-E230 PolarHBondContact N-O 2.96Å; R150-E230 IonicContact NE-OE2 3.66Å; R150-E230 PolarHBondContact O-N 3.11Å
151F87.8Confident83.9Confident16 Ų1650.5 Ų50.57%0.0729%0.289CS..EExtended strand (participates in β ladder)trans-110.3142.1177.2-62.7-88.1000109.7W127 L149 L188 V192 L217 A226 R227 L228W127-F151 HydrophobicContact CH2-CE1 4.09Å; W127-F151 AromaticContact CZ3-CE1 3.92Å; W127-F151 HydrophobicContact CZ3-CE1 3.92Å; L149-F151 HydrophobicContact CB-CD2 4.42Å; L149-F151 HydrophobicContact CB-CE2 3.63Å; L149-F151 HydrophobicContact CB-CZ 4.02Å; L149-F151 HydrophobicContact CD1-CE2 4.23Å; L149-F151 HydrophobicContact CD1-CZ 4.01Å; F151-L188 HydrophobicContact CB-CB 4.28Å; F151-L188 HydrophobicContact CB-CD1 4.05Å; F151-L188 HydrophobicContact CB-CD2 4.45Å; F151-L188 HydrophobicContact CD2-CD2 3.81Å; F151-L188 HydrophobicContact CE2-CD2 4.38Å; F151-L188 HydrophobicContact CG-CD1 4.4Å; F151-L188 HydrophobicContact CG-CD2 4.26Å; F151-V192 HydrophobicContact CD2-CG2 3.92Å; F151-V192 HydrophobicContact CE2-CB 4.18Å; F151-V192 HydrophobicContact CE2-CG2 3.84Å; F151-L217 HydrophobicContact CD1-CD2 3.96Å; F151-L217 HydrophobicContact CD2-CD2 4.43Å; F151-L217 HydrophobicContact CE1-CB 4.25Å; F151-L217 HydrophobicContact CE1-CD2 3.81Å; F151-L217 HydrophobicContact CE2-CD2 4.28Å; F151-L217 HydrophobicContact CG-CD2 4.27Å; F151-L217 HydrophobicContact CZ-CB 4.41Å; F151-L217 HydrophobicContact CZ-CD1 4.45Å; F151-L217 HydrophobicContact CZ-CD2 3.98Å; F151-A226 HydrophobicContact CB-CB 4.25Å; F151-A226 HydrophobicContact CD1-CB 4.15Å; F151-A226 HydrophobicContact CG-CB 4.48Å; F151-R227 CarbonylContact C-O 3.53Å; F151-R227 VanDerWaalsContact CA-O 3.31Å; F151-R227 WeakPolarHBondContact CA-O 3.43Å; F151-L228 HydrophobicContact CD1-CB 4.25Å; F151-L228 HydrophobicContact CD1-CD1 4.09Å; F151-L228 HydrophobicContact CE1-CB 4.11Å; F151-L228 HydrophobicContact CE1-CD1 3.69Å; F151-L228 HydrophobicContact CE2-CD1 4.45Å; F151-L228 HydrophobicContact CZ-CD1 3.9Å
152A81.5Confident84.1Confident35 Ų3546.6 Ų46.629%0.28928%0.277SS..EExtended strand (participates in β ladder)trans-72.3132.2171.900000109.3A154 R227A152-A154 PolarHBondContact O-N 3.49Å; A152-R227 HydrophobicContact CB-CB 4.37Å; A152-R227 PolarHBondContact N-O 2.9Å
153A62.1Low84.4Confident110 Ų11045.9 Ų45.991%0.90927%0.273SS*.  trans-23.2106.7-177.200000115.1
154A63Low84.5Confident28 Ų2845.6 Ų45.623%0.23127%0.271CS..  trans-119.2140.8166.500000109A152 A156 W161 L188 A226A152-A154 PolarHBondContact O-N 3.49Å; A154-A156 PolarHBondContact O-N 3.41Å; A154-W161 HydrophobicContact CB-CH2 4.03Å; A154-W161 HydrophobicContact CB-CZ2 3.6Å; A154-L188 HydrophobicContact CB-CD1 4.12Å; A154-A226 HydrophobicContact CB-CB 3.85Å
155V69.4Low84.5Confident134 Ų13443.6 Ų43.681%0.81226%0.263SS*.PPolyproline II helixtrans-59.7128.6172.4178.80000107.7P157V155-P157 VanDerWaalsContact O-CD 3.32Å; V155-P157 WeakPolarHBondContact O-CD 3.48Å
156A69.9Low84.3Confident58 Ų5844 Ų4448%0.47927%0.266SS..PPolyproline II helixtrans-66.2119.5179.100000108.9A154A154-A156 PolarHBondContact O-N 3.41Å
157P77.6Confident84Confident13 Ų1347 Ų478%0.08428%0.282CS..PPolyproline II helixtrans-67.3153.9175.429.2-33.9000109.9V155 G159 G160 W161 P219 T221 A223V155-P157 VanDerWaalsContact O-CD 3.32Å; V155-P157 WeakPolarHBondContact O-CD 3.48Å; P157-G159 PolarHBondContact O-N 2.87Å; P157-G160 WeakPolarHBondContact CG-O 3.35Å; P157-G160 PolarHBondContact O-N 2.93Å; P157-W161 HydrophobicContact CG-CD2 4.18Å; P157-W161 HydrophobicContact CG-CG 4.4Å; P157-W161 HydrophobicContact CG-CZ2 4.34Å; P157-P219 HydrophobicContact CB-CB 4.13Å; P157-P219 HydrophobicContact CG-CB 3.8Å; P157-T221 WeakPolarHBondContact CB-OG1 3.17Å; P157-A223 HydrophobicContact CB-CB 3.8Å
158E76.6Confident83.3Confident169 Ų16947.8 Ų47.879%0.7929%0.288SS*.THydrogen-bonded Turntrans-59.1123.7170.2-67.4-164.1160.800109T221E158-T221 HydrophobicContact CB-CG2 4.42Å; E158-T221 PolarHBondContact N-OG1 2.82Å; E158-T221 WeakPolarHBondContact O-CG2 3.43Å; E158-T221 PolarHBondContact O-OG1 3.18Å
159G80.3Confident82Confident50 Ų5048 Ų4852%0.51530%0.298SS..THydrogen-bonded Turntrans88.5-2.7-174.600000115.7P157 R220P157-G159 PolarHBondContact O-N 2.87Å; G159-R220 WeakPolarHBondContact O-CD 2.94Å
160G87.8Confident80.4Confident5 Ų556.3 Ų56.35%0.05234%0.336CS..  trans75.5-166.4172.900000114.9P157 R220P157-G160 WeakPolarHBondContact CG-O 3.35Å; P157-G160 PolarHBondContact O-N 2.93Å; G160-R220 PolarHBondContact O-N 3Å; G160-R220 VanDerWaalsContact O-N 3.09Å
161W89.5Confident78.7Confident0 Ų052.6 Ų52.60%034%0.337CS..EExtended strand (participates in β ladder)trans-106.5149-176.2-57.486000111.3A154 P157 L184 V185 L188 L217 P219 A224 A226A154-W161 HydrophobicContact CB-CH2 4.03Å; A154-W161 HydrophobicContact CB-CZ2 3.6Å; P157-W161 HydrophobicContact CG-CD2 4.18Å; P157-W161 HydrophobicContact CG-CG 4.4Å; P157-W161 HydrophobicContact CG-CZ2 4.34Å; W161-L184 CarbonylContact O-C 3.59Å; W161-V185 HydrophobicContact CB-CB 4.14Å; W161-V185 PolarHBondContact N-O 3.17Å; W161-V185 PolarHBondContact O-N 3.02Å; W161-L188 HydrophobicContact CD2-CD1 4.11Å; W161-L188 HydrophobicContact CG-CD1 4.35Å; W161-L188 HydrophobicContact CG-CD2 4.39Å; W161-L188 HydrophobicContact CG-CG 4.42Å; W161-L188 HydrophobicContact CZ2-CD1 3.9Å; W161-L217 HydrophobicContact CB-CD1 3.8Å; W161-L217 HydrophobicContact CB-CD2 4.34Å; W161-L217 HydrophobicContact CB-CG 4.03Å; W161-L217 HydrophobicContact CD2-CD2 3.97Å; W161-L217 HydrophobicContact CD2-CG 4.24Å; W161-L217 HydrophobicContact CE3-CD2 3.76Å; W161-L217 HydrophobicContact CE3-CG 3.8Å; W161-L217 HydrophobicContact CG-CD2 4.24Å; W161-L217 HydrophobicContact CG-CG 4.38Å; W161-L217 HydrophobicContact CZ3-CD2 4.3Å; W161-P219 HydrophobicContact CD2-CB 4.49Å; W161-P219 HydrophobicContact CE3-CB 3.86Å; W161-P219 HydrophobicContact CH2-CB 4.35Å; W161-P219 HydrophobicContact CZ3-CB 3.81Å; W161-P219 HydrophobicContact CZ3-CG 4.15Å; W161-A224 WeakPolarHBondContact CH2-O 3.35Å; W161-A226 HydrophobicContact CH2-CB 3.95Å; W161-A226 HydrophobicContact CZ2-CB 4.35Å; W161-A226 HydrophobicContact CZ3-CB 4.27Å
162E92.1Very high76.3Confident78 Ų7861.8 Ų61.836%0.36438%0.383SS..EExtended strand (participates in β ladder)trans-108117.1168.3-172.5175.4-126.200109.3L217 R218E162-L217 WeakPolarHBondContact O-CA 3.31Å; E162-R218 PolarHBondContact N-O 2.85Å; E162-R218 PolarHBondContact O-N 3.16Å
163L92.7Very high74.8Confident1 Ų164.2 Ų64.21%0.00541%0.412CS..EExtended strand (participates in β ladder)trans-90124.9171.4175.366.9000108.8L149 V165 R182 Q183 V185 V192 A194 L217L149-L163 HydrophobicContact CD1-CD1 3.97Å; L149-L163 HydrophobicContact CD1-CD2 3.94Å; L163-V165 HydrophobicContact CD1-CG2 4.49Å; L163-V165 HydrophobicContact CD2-CG2 4.24Å; L163-V165 HydrophobicContact CG-CG2 4.15Å; L163-R182 CarbonylContact O-C 3.56Å; L163-R182 VanDerWaalsContact O-CA 3.3Å; L163-R182 WeakPolarHBondContact O-CA 3.31Å; L163-Q183 PolarHBondContact N-O 2.83Å; L163-Q183 PolarHBondContact O-N 2.86Å; L163-V185 HydrophobicContact CB-CG2 3.93Å; L163-V192 HydrophobicContact CD2-CG1 4.03Å; L163-A194 HydrophobicContact CD2-CB 4.38Å; L163-L217 HydrophobicContact CB-CD1 3.81Å; L163-L217 HydrophobicContact CD1-CD1 4.2Å
164S92.2Very high74.6Confident23 Ų2361.5 Ų61.516%0.16139%0.389CS..EExtended strand (participates in β ladder)trans-112.8131.1166.663.10000110.6L181 A216S164-L181 WeakPolarHBondContact CA-O 3.42Å; S164-A216 PolarHBondContact N-O 3.22Å; S164-A216 PolarHBondContact O-N 3.07Å; S164-A216 WeakPolarHBondContact OG-CB 3.36Å; S164-A216 PolarHBondContact OG-O 2.93Å
165V92.2Very high74.4Confident0 Ų062.6 Ų62.60%040%0.403CS..EExtended strand (participates in β ladder)trans-115.1124.8174.6-175.80000108L147 L163 L180 L181 L196 L213 L215L147-V165 HydrophobicContact CD2-CG2 4.27Å; L163-V165 HydrophobicContact CD1-CG2 4.49Å; L163-V165 HydrophobicContact CD2-CG2 4.24Å; L163-V165 HydrophobicContact CG-CG2 4.15Å; V165-L180 PolarHBondContact O-N 2.79Å; V165-L181 HydrophobicContact CB-CB 4.26Å; V165-L181 PolarHBondContact N-O 3.28Å; V165-L181 PolarHBondContact O-N 2.81Å; V165-L196 HydrophobicContact CG1-CD2 4.17Å; V165-L213 HydrophobicContact CG1-CB 4.37Å; V165-L213 HydrophobicContact CG1-CD1 4.04Å; V165-L213 HydrophobicContact CG1-CD2 4.29Å; V165-L213 HydrophobicContact CG1-CG 4.48Å; V165-L215 HydrophobicContact CB-CD2 4.29Å; V165-L215 HydrophobicContact CG1-CD2 3.91Å; V165-L215 HydrophobicContact CG2-CD2 3.89Å
166S89.6Confident74.2Confident8 Ų860.2 Ų60.26%0.05639%0.391CS..EExtended strand (participates in β ladder)trans-127.3158.6176550000111A168 L213 A214S166-A168 PolarHBondContact O-N 2.84Å; S166-L213 WeakPolarHBondContact O-CA 3.13Å; S166-A214 PolarHBondContact N-O 2.74Å; S166-A214 PolarHBondContact O-N 3.08Å; S166-A214 WeakPolarHBondContact OG-CB 3.35Å; S166-A214 PolarHBondContact OG-O 2.69Å
167Q86.5Confident74.3Confident106 Ų10658.8 Ų58.850%0.49538%0.381SS..EExtended strand (participates in β ladder)trans-73.7127.7171.8-165.8173.516.200109G177 P178 L180Q167-G177 VanDerWaalsContact O-CA 3.3Å; Q167-G177 WeakPolarHBondContact O-CA 3.23Å; Q167-G177 PolarHBondContact O-N 3.39Å; Q167-P178 PolarHBondContact N-O 2.78Å; Q167-L180 HydrophobicContact CB-CD1 4.2Å
168A80.1Confident74.5Confident17 Ų1762.6 Ų62.614%0.1441%0.406CS..EExtended strand (participates in β ladder)trans-79131.4174.600000109.8T128 S166 R212 A214T128-A168 HydrophobicContact CG2-CB 4.29Å; S166-A168 PolarHBondContact O-N 2.84Å; A168-R212 HydrophobicContact CB-CB 3.92Å; A168-R212 PolarHBondContact N-O 2.9Å; A168-A214 HydrophobicContact CB-CB 4.33Å
169G67.9Low74.9Confident31 Ų3157.9 Ų57.932%0.3239%0.388SS..PPolyproline II helixtrans-63.3148.8177.200000112.8G171G169-G171 PolarHBondContact O-N 2.88Å
170Q58.8Low75.3Confident174 Ų17457.2 Ų57.281%0.81337%0.373SS*.SBendtrans-84.788.8172.7-75.7178.59.700109.7
171G55.1Low75.4Confident48 Ų4858.6 Ų58.650%0.49538%0.379SS..SBendtrans166.1150.4173.300000113.9G169 G173 A174G169-G171 PolarHBondContact O-N 2.88Å; G171-G173 PolarHBondContact O-N 3.17Å; G171-G173 VanDerWaalsContact O-N 3.14Å; G171-A174 PolarHBondContact O-N 3.28Å
172M37.9Very low75.6Confident210 Ų21066.3 Ų66.3100%1.03441%0.408SS*.THydrogen-bonded Turntrans-66.7108.4172-15589.117600108
173G49.9Very low75.6Confident86 Ų8665.6 Ų65.689%0.88741%0.405SS*.THydrogen-bonded Turntrans96.55.3-177.200000116G171 G175G171-G173 PolarHBondContact O-N 3.17Å; G171-G173 VanDerWaalsContact O-N 3.14Å; G173-G175 PolarHBondContact O-N 2.77Å
174A57.2Low75.6Confident52 Ų5270.1 Ų70.143%0.4343%0.428SS..PPolyproline II helixtrans-72.7118.3170.200000109.7G171G171-A174 PolarHBondContact O-N 3.28Å
175G59.7Low75.6Confident52 Ų5269.3 Ų69.354%0.53642%0.422SS..PPolyproline II helixtrans-62.1169.7175.900000113G173 G177G173-G175 PolarHBondContact O-N 2.77Å; G175-G177 PolarHBondContact O-N 2.89Å
176P65.3Low75.3Confident84 Ų8473.9 Ų73.955%0.54545%0.452SS..EExtended strand (participates in β ladder)trans-58127.5175.823-30.8000109.6
177G72.6Confident75.1Confident27 Ų2776 Ų7628%0.27847%0.47SS..EExtended strand (participates in β ladder)trans-67.9-170.1174.700000112Q167 G175 V179Q167-G177 VanDerWaalsContact O-CA 3.3Å; Q167-G177 WeakPolarHBondContact O-CA 3.23Å; Q167-G177 PolarHBondContact O-N 3.39Å; G175-G177 PolarHBondContact O-N 2.89Å; G177-V179 PolarHBondContact O-N 2.99Å
178P80.1Confident74.9Confident93 Ų9371.7 Ų71.760%0.60445%0.45SS*.EExtended strand (participates in β ladder)trans-56.1140178.924.8-33.4000111Q167 L180Q167-P178 PolarHBondContact N-O 2.78Å; P178-L180 PolarHBondContact O-N 2.71Å
179V85.7Confident74.9Confident70 Ų7074.3 Ų74.342%0.42448%0.479SS..EExtended strand (participates in β ladder)trans-69.2119176.5-178.50000108.3G177 L181 R182G177-V179 PolarHBondContact O-N 2.99Å; V179-L181 WeakPolarHBondContact CG1-O 3.47Å; V179-R182 HydrophobicContact CG1-CG 3.73Å
180L87.6Confident75.6Confident36 Ų3676.9 Ų76.919%0.18849%0.49CS..EExtended strand (participates in β ladder)trans-82.4-36.2-178.7-57.4175.7000111.4V165 Q167 P178 T199 A200 L213V165-L180 PolarHBondContact O-N 2.79Å; Q167-L180 HydrophobicContact CB-CD1 4.2Å; P178-L180 PolarHBondContact O-N 2.71Å; L180-T199 WeakPolarHBondContact O-CB 3.28Å; L180-A200 HydrophobicContact CD1-CB 3.84Å; L180-L213 HydrophobicContact CD1-CD2 4.09Å
181L91.1Very high77Confident35 Ų3569.7 Ų69.718%0.18346%0.458CS..EExtended strand (participates in β ladder)trans-149.5138.2-176.3179.469.4000110.6S164 V165 V179 A194S164-L181 WeakPolarHBondContact CA-O 3.42Å; V165-L181 HydrophobicContact CB-CB 4.26Å; V165-L181 PolarHBondContact N-O 3.28Å; V165-L181 PolarHBondContact O-N 2.81Å; V179-L181 WeakPolarHBondContact CG1-O 3.47Å; L181-A194 HydrophobicContact CD2-CB 3.52Å
182R93.1Very high78.8Confident162 Ų16267.9 Ų67.961%0.61144%0.438SS*.EExtended strand (participates in β ladder)trans-120.4132.5161.6-66.3-170.6179.8-175.11.3109.2L163 V179L163-R182 CarbonylContact O-C 3.56Å; L163-R182 VanDerWaalsContact O-CA 3.3Å; L163-R182 WeakPolarHBondContact O-CA 3.31Å; V179-R182 HydrophobicContact CG1-CG 3.73Å
183Q93.4Very high81.4Confident62 Ų6264.1 Ų64.129%0.2941%0.412SS..EExtended strand (participates in β ladder)trans-140.8132.5-176.3-179.3174.9-24.500110.8L163 R193L163-Q183 PolarHBondContact N-O 2.83Å; L163-Q183 PolarHBondContact O-N 2.86Å; Q183-R193 PolarHBondContact NE2-O 3.01Å; Q183-R193 PolarHBondContact OE1-O 3.37Å
184L92.1Very high83.5Confident96 Ų9660.1 Ų60.150%0.50337%0.37SS..EExtended strand (participates in β ladder)trans-74.3132.5170.5-171.769.9000109.8W161W161-L184 CarbonylContact O-C 3.59Å
185V90.8Very high85.1Confident6 Ų661 Ų614%0.03637%0.366CS..EExtended strand (participates in β ladder)trans-123.598.7-179.4-178.60000108.3W161 L163 A187 L188 V192W161-V185 HydrophobicContact CB-CB 4.14Å; W161-V185 PolarHBondContact N-O 3.17Å; W161-V185 PolarHBondContact O-N 3.02Å; L163-V185 HydrophobicContact CB-CG2 3.93Å; V185-A187 VanDerWaalsContact C-N 3.32Å; V185-A187 WeakPolarHBondContact CG1-O 3.48Å; V185-A187 PolarHBondContact O-N 3.44Å; V185-L188 HydrophobicContact CG1-CD2 3.64Å; V185-V192 HydrophobicContact CG1-CB 4.49Å; V185-V192 HydrophobicContact CG1-CG1 4.08Å; V185-V192 HydrophobicContact CG1-CG2 3.59Å; V185-V192 HydrophobicContact CG2-CG1 3.6Å
186P87.2Confident86.5Confident97 Ų9758.6 Ų58.663%0.6334%0.34SS*.SBendtrans-64.9-34.3-175.8-23.934.3000113.5
187A84.8Confident87.4Confident51 Ų5156.8 Ų56.842%0.42133%0.326SS..  trans-149.5151.5-177.300000111.6V185V185-A187 VanDerWaalsContact C-N 3.32Å; V185-A187 WeakPolarHBondContact CG1-O 3.48Å; V185-A187 PolarHBondContact O-N 3.44Å
188L83.2Confident87.6Confident17 Ų1758.3 Ų58.39%0.08934%0.341CS..SBendtrans-105.28.2-176.3-59.6-180000114.5F151 A154 W161 V185 V192 L217 A226F151-L188 HydrophobicContact CB-CB 4.28Å; F151-L188 HydrophobicContact CB-CD1 4.05Å; F151-L188 HydrophobicContact CB-CD2 4.45Å; F151-L188 HydrophobicContact CD2-CD2 3.81Å; F151-L188 HydrophobicContact CE2-CD2 4.38Å; F151-L188 HydrophobicContact CG-CD1 4.4Å; F151-L188 HydrophobicContact CG-CD2 4.26Å; A154-L188 HydrophobicContact CB-CD1 4.12Å; W161-L188 HydrophobicContact CD2-CD1 4.11Å; W161-L188 HydrophobicContact CG-CD1 4.35Å; W161-L188 HydrophobicContact CG-CD2 4.39Å; W161-L188 HydrophobicContact CG-CG 4.42Å; W161-L188 HydrophobicContact CZ2-CD1 3.9Å; V185-L188 HydrophobicContact CG1-CD2 3.64Å; L188-V192 HydrophobicContact CD2-CG2 3.93Å; L188-L217 HydrophobicContact CD1-CD2 3.9Å; L188-L217 HydrophobicContact CD2-CD2 3.87Å; L188-A226 HydrophobicContact CD1-CB 3.55Å
189G78.6Confident87.2Confident71 Ų7156.8 Ų56.873%0.73233%0.331SS*.SBendtrans-65.6-59.3177.600000113.8
190P83.4Confident86.4Confident85 Ų8554.9 Ų54.955%0.55232%0.322SS*.SBendtrans-73.5157.6171.530.4-33.4000111.2V192P190-V192 PolarHBondContact O-N 3.25Å
191P88.6Confident85.7Confident24 Ų2453.9 Ų53.916%0.15632%0.316CS..PPolyproline II helixtrans-58.7126.6171.324.9-32.4000109.7L149 R150 R193L149-P191 CarbonylContact O-C 3.48Å; L149-P191 VanDerWaalsContact O-CA 3.31Å; L149-P191 WeakPolarHBondContact O-CA 3.49Å; R150-P191 HydrophobicContact CG-CB 4.02Å; P191-R193 PolarHBondContact O-N 3.38Å
192V92.4Very high84.5Confident10 Ų1055.2 Ų55.26%0.06133%0.332CS..EExtended strand (participates in β ladder)trans-70.6126.7176.3-179.30000107.8E148 L149 F151 L163 V185 L188 P190E148-V192 WeakPolarHBondContact CA-O 3.42Å; L149-V192 HydrophobicContact CB-CB 4.34Å; L149-V192 PolarHBondContact N-O 2.65Å; L149-V192 PolarHBondContact O-N 2.82Å; F151-V192 HydrophobicContact CD2-CG2 3.92Å; F151-V192 HydrophobicContact CE2-CB 4.18Å; F151-V192 HydrophobicContact CE2-CG2 3.84Å; L163-V192 HydrophobicContact CD2-CG1 4.03Å; V185-V192 HydrophobicContact CG1-CB 4.49Å; V185-V192 HydrophobicContact CG1-CG1 4.08Å; V185-V192 HydrophobicContact CG1-CG2 3.59Å; V185-V192 HydrophobicContact CG2-CG1 3.6Å; L188-V192 HydrophobicContact CD2-CG2 3.93Å; P190-V192 PolarHBondContact O-N 3.25Å
193R93.8Very high83.1Confident131 Ų13156.8 Ų56.849%0.49434%0.338SS..EExtended strand (participates in β ladder)trans-113.4130.2-177.4-67.5173.4178137.38.8110.4R146 L147 E148 Q183 P191R146-R193 HydrophobicContact CG-CB 4.27Å; R146-R193 HydrophobicContact CG-CG 4.45Å; L147-R193 VanDerWaalsContact O-CA 3.32Å; L147-R193 WeakPolarHBondContact O-CA 3.06Å; E148-R193 HydrophobicContact CG-CG 4.28Å; E148-R193 IonicContact OE1-NE 3.91Å; E148-R193 PolarHBondContact OE1-NE 3Å; E148-R193 VanDerWaalsContact OE1-NE 3.12Å; Q183-R193 PolarHBondContact NE2-O 3.01Å; Q183-R193 PolarHBondContact OE1-O 3.37Å; P191-R193 PolarHBondContact O-N 3.38Å
194A92.6Very high81.6Confident1 Ų161.6 Ų61.61%0.00837%0.366CS..EExtended strand (participates in β ladder)trans-129.7127.2176.900000109.9R146 L147 L163 L181R146-A194 CarbonylContact C-O 3.42Å; R146-A194 WeakPolarHBondContact CA-O 3.35Å; L147-A194 HydrophobicContact CB-CB 4.25Å; L147-A194 PolarHBondContact N-O 2.87Å; L147-A194 PolarHBondContact O-N 2.82Å; L163-A194 HydrophobicContact CD2-CB 4.38Å; L181-A194 HydrophobicContact CD2-CB 3.52Å
195E92Very high80.3Confident72 Ų7259.2 Ų59.234%0.33636%0.36SS..EExtended strand (participates in β ladder)trans-85.2123.6175.5-63.2-68.5163.500109.6R144 R146R144-E195 WeakPolarHBondContact CG-OE2 2.92Å; R144-E195 IonicContact NE-OE1 2.98Å; R144-E195 IonicContact NE-OE2 3.28Å; R146-E195 IonicContact CZ-OE1 3.16Å; R146-E195 IonicContact NE-OE1 3.12Å; R146-E195 PolarHBondContact NE-OE1 2.81Å; R146-E195 IonicContact NH2-OE1 2.67Å; R146-E195 PolarHBondContact NH2-OE1 3.38Å
196L88.6Confident79.5Confident0 Ų063.7 Ų63.70%039%0.391CS..  trans-101.8-10.9-178-59.4-177.5000112.8A145 L147 V165 G198 T199 A200 W201 L213 L233A145-L196 HydrophobicContact CB-CB 4.35Å; A145-L196 PolarHBondContact O-N 3.02Å; L147-L196 HydrophobicContact CB-CD1 3.99Å; L147-L196 HydrophobicContact CB-CG 4.18Å; V165-L196 HydrophobicContact CG1-CD2 4.17Å; L196-G198 PolarHBondContact O-N 3.32Å; L196-T199 PolarHBondContact O-N 3.2Å; L196-T199 PolarHBondContact O-OG1 2.64Å; L196-T199 VanDerWaalsContact O-OG1 3.11Å; L196-A200 HydrophobicContact CB-CB 4.04Å; L196-A200 WeakPolarHBondContact O-CB 3.34Å; L196-A200 PolarHBondContact O-N 3.08Å; L196-W201 HydrophobicContact CB-CE3 4.47Å; L196-W201 HydrophobicContact CB-CZ3 4.41Å; L196-L213 HydrophobicContact CD1-CD1 3.64Å; L196-L233 HydrophobicContact CD1-CD1 4.15Å
197L84.3Confident79.1Confident46 Ų4660.5 Ų60.524%0.24137%0.367CS..BIsolated β-bridgetrans-69.9128.5179.7-171.163.2000110.3P142 S143 A145 T199P142-L197 HydrophobicContact CB-CD1 3.58Å; P142-L197 HydrophobicContact CG-CD1 3.93Å; S143-L197 WeakPolarHBondContact O-CD2 3.21Å; A145-L197 HydrophobicContact CB-CB 4.4Å; L197-T199 VanDerWaalsContact C-N 3.31Å; L197-T199 PolarHBondContact O-N 2.99Å
198G77.1Confident79.2Confident59 Ų5960.4 Ų60.461%0.60836%0.362SS*.THydrogen-bonded Turntrans90.4-26.7-175.800000114.5L196 W201L196-G198 PolarHBondContact O-N 3.32Å; G198-W201 WeakPolarHBondContact CA-O 3.34Å; G198-W201 PolarHBondContact N-O 3.41Å
199T72Confident79.4Confident62 Ų6269.3 Ų69.338%0.3839%0.394SS..THydrogen-bonded Turntrans-96.5-48.1176.452.20000112.1L180 L196 L197L180-T199 WeakPolarHBondContact O-CB 3.28Å; L196-T199 PolarHBondContact O-N 3.2Å; L196-T199 PolarHBondContact O-OG1 2.64Å; L196-T199 VanDerWaalsContact O-OG1 3.11Å; L197-T199 VanDerWaalsContact C-N 3.31Å; L197-T199 PolarHBondContact O-N 2.99Å
200A67.9Low79.8Confident29 Ų2968.2 Ų68.224%0.2438%0.375CS..THydrogen-bonded Turntrans-93.7-26.3178.100000112.9L180 L196L180-A200 HydrophobicContact CD1-CB 3.84Å; L196-A200 HydrophobicContact CB-CB 4.04Å; L196-A200 WeakPolarHBondContact O-CB 3.34Å; L196-A200 PolarHBondContact O-N 3.08Å
201W73.2Confident80.1Confident15 Ų1564.7 Ų64.76%0.05735%0.351CS..BIsolated β-bridgetrans-136.5124.2-178.4-73.6-67.3000112.2L133 A145 L196 G198 W207 P208 L211 L233L133-W201 HydrophobicContact CD1-CH2 3.86Å; L133-W201 HydrophobicContact CD1-CZ2 3.48Å; L133-W201 VanDerWaalsContact CD1-CZ2 3.48Å; A145-W201 HydrophobicContact CB-CE3 4.01Å; A145-W201 HydrophobicContact CB-CZ3 3.84Å; L196-W201 HydrophobicContact CB-CE3 4.47Å; L196-W201 HydrophobicContact CB-CZ3 4.41Å; G198-W201 WeakPolarHBondContact CA-O 3.34Å; G198-W201 PolarHBondContact N-O 3.41Å; W201-W207 HydrophobicContact CD2-CZ3 4.04Å; W201-W207 AromaticContact CE2-CZ3 3.89Å; W201-W207 HydrophobicContact CE3-CZ3 4.31Å; W201-W207 HydrophobicContact CH2-CZ3 4.12Å; W201-W207 HydrophobicContact CZ2-CE3 4.24Å; W201-W207 AromaticContact CZ2-CZ3 3.94Å; W201-W207 HydrophobicContact CZ2-CZ3 3.94Å; W201-W207 HydrophobicContact CZ3-CZ3 4.36Å; W201-P208 HydrophobicContact CZ2-CG 4.14Å; W201-P208 VanDerWaalsContact NE1-CD 3.28Å; W201-L211 HydrophobicContact CH2-CB 4.18Å; W201-L211 HydrophobicContact CH2-CD1 3.97Å; W201-L211 HydrophobicContact CH2-CD2 3.14Å; W201-L211 HydrophobicContact CH2-CG 3.91Å; W201-L211 HydrophobicContact CZ2-CB 3.98Å; W201-L211 HydrophobicContact CZ2-CD1 3.61Å; W201-L211 HydrophobicContact CZ2-CD2 3.69Å; W201-L211 HydrophobicContact CZ2-CG 3.92Å; W201-L211 HydrophobicContact CZ3-CD2 3.87Å; W201-L233 HydrophobicContact CH2-CD2 4.17Å
202A65.7Low80.1Confident64 Ų6468.9 Ų68.953%0.52936%0.364SS..  trans-68.9145.9165.900000109.8N204 A205A202-N204 PolarHBondContact O-N 3.22Å; A202-A205 HydrophobicContact CB-CB 4.14Å; A202-A205 PolarHBondContact O-N 2.95Å
203R63.9Low80Confident195 Ų19568.4 Ų68.474%0.73636%0.361SS*.THydrogen-bonded Turntrans-56.8-19.4-178.7-78.7-174.5-95.7-124-0.9114.8
204N60.8Low79.8Confident163 Ų16362.6 Ų62.687%0.87234%0.341SS*.THydrogen-bonded Turntrans-114.94.8-177.8-59.7-10.3000113.3A202A202-N204 PolarHBondContact O-N 3.22Å
205A66.5Low79.7Confident45 Ų4562.7 Ų62.737%0.37234%0.342SS..PPolyproline II helixtrans-76.1145.5-18000000111A202A202-A205 HydrophobicContact CB-CB 4.14Å; A202-A205 PolarHBondContact O-N 2.95Å
206S73.3Confident79.6Confident101 Ų10159.5 Ų59.571%0.70633%0.328SS*.PPolyproline II helixtrans-67.7146.8170.249.50000110.8
207W79Confident79.6Confident30 Ų3059.5 Ų59.511%0.11433%0.328CS..PPolyproline II helixtrans-69.6126.7178.4-70.4103000111.2L133 V136 E140 P142 W201 L235 T237L133-W207 HydrophobicContact CD1-CE3 3.99Å; L133-W207 HydrophobicContact CD1-CZ3 4.33Å; V136-W207 HydrophobicContact CB-CB 4.47Å; V136-W207 HydrophobicContact CB-CD2 4.45Å; V136-W207 HydrophobicContact CB-CG 4.18Å; V136-W207 HydrophobicContact CG1-CB 4.4Å; V136-W207 VanDerWaalsContact CG1-CD1 3.44Å; V136-W207 HydrophobicContact CG1-CD2 3.77Å; V136-W207 HydrophobicContact CG1-CG 3.63Å; V136-W207 HydrophobicContact CG1-CZ2 4.39Å; E140-W207 PolarHBondContact O-NE1 2.87Å; P142-W207 HydrophobicContact CB-CH2 3.68Å; P142-W207 HydrophobicContact CB-CZ2 3.45Å; P142-W207 VanDerWaalsContact CB-CZ2 3.45Å; P142-W207 HydrophobicContact CG-CH2 4.37Å; P142-W207 HydrophobicContact CG-CZ2 3.94Å; W201-W207 HydrophobicContact CD2-CZ3 4.04Å; W201-W207 AromaticContact CE2-CZ3 3.89Å; W201-W207 HydrophobicContact CE3-CZ3 4.31Å; W201-W207 HydrophobicContact CH2-CZ3 4.12Å; W201-W207 HydrophobicContact CZ2-CE3 4.24Å; W201-W207 AromaticContact CZ2-CZ3 3.94Å; W201-W207 HydrophobicContact CZ2-CZ3 3.94Å; W201-W207 HydrophobicContact CZ3-CZ3 4.36Å; W207-L235 HydrophobicContact CH2-CD1 3.32Å; W207-L235 HydrophobicContact CH2-CD2 4.01Å; W207-L235 HydrophobicContact CH2-CG 4.24Å; W207-L235 HydrophobicContact CZ2-CD1 4.14Å; W207-L235 HydrophobicContact CZ2-CD2 4.42Å; W207-L235 HydrophobicContact CZ3-CD1 3.91Å; W207-L235 HydrophobicContact CZ3-CD2 4.21Å; W207-T237 HydrophobicContact CZ2-CG2 3.79Å
208P85.8Confident79.9Confident48 Ų4863.7 Ų63.731%0.31234%0.34SS..PPolyproline II helixtrans-68.2145.2167.530.3-32.8000108.6L133 W201 S210L133-P208 WeakPolarHBondContact CB-O 3.32Å; L133-P208 HydrophobicContact CD1-CG 4.28Å; W201-P208 HydrophobicContact CZ2-CG 4.14Å; W201-P208 VanDerWaalsContact NE1-CD 3.28Å; P208-S210 PolarHBondContact O-N 3.32Å
209R87.1Confident80.4Confident205 Ų20562.2 Ų62.277%0.77432%0.32SS*.SBendtrans-63.6-30.6175.7-68.4-171.1178.3171.60.1112.8L133 S134L133-R209 CarbonylContact C-O 3.57Å; L133-R209 PolarHBondContact N-O 2.97Å; S134-R209 PolarHBondContact N-O 2.86Å; S134-R209 PolarHBondContact OG-O 3.41Å
210S88.9Confident81.1Confident47 Ų4767.1 Ų67.133%0.32933%0.331SS..EExtended strand (participates in β ladder)trans-138.5132.8176.6178.90000109.7V130 F131 P208V130-S210 VanDerWaalsContact CG1-OG 3.28Å; V130-S210 WeakPolarHBondContact CG1-OG 3.35Å; F131-S210 WeakPolarHBondContact O-CA 3.4Å; F131-S210 PolarHBondContact O-OG 2.86Å; P208-S210 PolarHBondContact O-N 3.32Å
211L89.1Confident81.9Confident11 Ų1168.2 Ų68.26%0.05834%0.335CS..EExtended strand (participates in β ladder)trans-101.9124.3173177.172.6000109V130 F131 L133 W201 L213 L233V130-L211 CarbonylContact C-O 3.58Å; V130-L211 WeakPolarHBondContact CA-O 3.43Å; F131-L211 HydrophobicContact CB-CB 4.36Å; F131-L211 HydrophobicContact CD2-CD2 3.88Å; F131-L211 HydrophobicContact CD2-CG 4.49Å; F131-L211 PolarHBondContact N-O 3.38Å; F131-L211 PolarHBondContact O-N 3.13Å; L133-L211 HydrophobicContact CD1-CB 4Å; W201-L211 HydrophobicContact CH2-CB 4.18Å; W201-L211 HydrophobicContact CH2-CD1 3.97Å; W201-L211 HydrophobicContact CH2-CD2 3.14Å; W201-L211 HydrophobicContact CH2-CG 3.91Å; W201-L211 HydrophobicContact CZ2-CB 3.98Å; W201-L211 HydrophobicContact CZ2-CD1 3.61Å; W201-L211 HydrophobicContact CZ2-CD2 3.69Å; W201-L211 HydrophobicContact CZ2-CG 3.92Å; W201-L211 HydrophobicContact CZ3-CD2 3.87Å; L211-L213 HydrophobicContact CD1-CD2 3.97Å; L211-L213 HydrophobicContact CD1-CG 4.46Å; L211-L213 HydrophobicContact CD2-CD1 3.89Å; L211-L213 HydrophobicContact CD2-CD2 4.16Å; L211-L213 HydrophobicContact CD2-CG 3.92Å; L211-L213 HydrophobicContact CG-CD2 4.09Å; L211-L213 HydrophobicContact CG-CG 4.02Å; L211-L233 HydrophobicContact CD2-CD2 4.42Å
212R89Confident82.2Confident113 Ų11373.2 Ų73.243%0.42637%0.37SS..EExtended strand (participates in β ladder)trans-113.4123.9173.5-56.8-172.7-179.5148.60.4110V129 V130 A168V129-R212 WeakPolarHBondContact O-CA 3.45Å; V130-R212 HydrophobicContact CG1-CG 4.13Å; V130-R212 HydrophobicContact CG2-CG 4.04Å; A168-R212 HydrophobicContact CB-CB 3.92Å; A168-R212 PolarHBondContact N-O 2.9Å
213L89.8Confident82.8Confident0 Ų072 Ų720%036%0.36CS..EExtended strand (participates in β ladder)trans-121.1138.3178-58.2178.3000109.9T128 V129 F131 L147 V165 S166 L180 L196 L211 L215T128-L213 WeakPolarHBondContact CA-O 3.42Å; V129-L213 HydrophobicContact CG2-CB 3.83Å; V129-L213 PolarHBondContact N-O 3.25Å; V129-L213 PolarHBondContact O-N 3.24Å; F131-L213 HydrophobicContact CE2-CD1 4.15Å; L147-L213 HydrophobicContact CD2-CD1 4.34Å; V165-L213 HydrophobicContact CG1-CB 4.37Å; V165-L213 HydrophobicContact CG1-CD1 4.04Å; V165-L213 HydrophobicContact CG1-CD2 4.29Å; V165-L213 HydrophobicContact CG1-CG 4.48Å; S166-L213 WeakPolarHBondContact O-CA 3.13Å; L180-L213 HydrophobicContact CD1-CD2 4.09Å; L196-L213 HydrophobicContact CD1-CD1 3.64Å; L211-L213 HydrophobicContact CD1-CD2 3.97Å; L211-L213 HydrophobicContact CD1-CG 4.46Å; L211-L213 HydrophobicContact CD2-CD1 3.89Å; L211-L213 HydrophobicContact CD2-CD2 4.16Å; L211-L213 HydrophobicContact CD2-CG 3.92Å; L211-L213 HydrophobicContact CG-CD2 4.09Å; L211-L213 HydrophobicContact CG-CG 4.02Å; L213-L215 HydrophobicContact CB-CD2 4.3Å
214A90Very high83.6Confident9 Ų966.8 Ų66.87%0.07436%0.358CS..EExtended strand (participates in β ladder)trans-95.9131165.300000108.6W127 S166 A168W127-A214 CarbonylContact O-C 3.55Å; W127-A214 WeakPolarHBondContact O-CA 3.38Å; S166-A214 PolarHBondContact N-O 2.74Å; S166-A214 PolarHBondContact O-N 3.08Å; S166-A214 WeakPolarHBondContact OG-CB 3.35Å; S166-A214 PolarHBondContact OG-O 2.69Å; A168-A214 HydrophobicContact CB-CB 4.33Å
215L90.8Very high84.6Confident2 Ų261.4 Ų61.41%0.0133%0.333CS..EExtended strand (participates in β ladder)trans-119.5131.2-176.6-53.2178.7000108.6E126 W127 V129 L147 L149 V165 L213 L228E126-L215 WeakPolarHBondContact CA-O 3.33Å; W127-L215 HydrophobicContact CB-CB 4.44Å; W127-L215 HydrophobicContact CE3-CB 4.33Å; W127-L215 PolarHBondContact N-O 2.66Å; W127-L215 PolarHBondContact O-N 3.46Å; V129-L215 HydrophobicContact CB-CD1 4.45Å; V129-L215 HydrophobicContact CG1-CD1 3.71Å; V129-L215 HydrophobicContact CG2-CD1 3.83Å; V129-L215 HydrophobicContact CG2-CG 4.13Å; L147-L215 HydrophobicContact CD2-CD2 3.84Å; L149-L215 HydrophobicContact CD1-CD1 4.05Å; L149-L215 HydrophobicContact CD2-CD1 3.64Å; V165-L215 HydrophobicContact CB-CD2 4.29Å; V165-L215 HydrophobicContact CG1-CD2 3.91Å; V165-L215 HydrophobicContact CG2-CD2 3.89Å; L213-L215 HydrophobicContact CB-CD2 4.3Å; L215-L228 HydrophobicContact CD1-CD2 4.14Å
216A89.3Confident85.5Confident5 Ų559.4 Ų59.44%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-131.4135.7168.300000109.5E126 S164E126-A216 HydrophobicContact CG-CB 3.93Å; S164-A216 PolarHBondContact N-O 3.22Å; S164-A216 PolarHBondContact O-N 3.07Å; S164-A216 WeakPolarHBondContact OG-CB 3.36Å; S164-A216 PolarHBondContact OG-O 2.93Å
217L88.8Confident86Confident1 Ų162.4 Ų62.41%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-120.6112175.6-169.878.7000108.3W127 F151 W161 E162 L163 L188 A226W127-L217 HydrophobicContact CH2-CB 4.31Å; W127-L217 HydrophobicContact CZ3-CB 3.89Å; F151-L217 HydrophobicContact CD1-CD2 3.96Å; F151-L217 HydrophobicContact CD2-CD2 4.43Å; F151-L217 HydrophobicContact CE1-CB 4.25Å; F151-L217 HydrophobicContact CE1-CD2 3.81Å; F151-L217 HydrophobicContact CE2-CD2 4.28Å; F151-L217 HydrophobicContact CG-CD2 4.27Å; F151-L217 HydrophobicContact CZ-CB 4.41Å; F151-L217 HydrophobicContact CZ-CD1 4.45Å; F151-L217 HydrophobicContact CZ-CD2 3.98Å; W161-L217 HydrophobicContact CB-CD1 3.8Å; W161-L217 HydrophobicContact CB-CD2 4.34Å; W161-L217 HydrophobicContact CB-CG 4.03Å; W161-L217 HydrophobicContact CD2-CD2 3.97Å; W161-L217 HydrophobicContact CD2-CG 4.24Å; W161-L217 HydrophobicContact CE3-CD2 3.76Å; W161-L217 HydrophobicContact CE3-CG 3.8Å; W161-L217 HydrophobicContact CG-CD2 4.24Å; W161-L217 HydrophobicContact CG-CG 4.38Å; W161-L217 HydrophobicContact CZ3-CD2 4.3Å; E162-L217 WeakPolarHBondContact O-CA 3.31Å; L163-L217 HydrophobicContact CB-CD1 3.81Å; L163-L217 HydrophobicContact CD1-CD1 4.2Å; L188-L217 HydrophobicContact CD1-CD2 3.9Å; L188-L217 HydrophobicContact CD2-CD2 3.87Å; L217-A226 HydrophobicContact CD2-CB 3.91Å
218R89.1Confident86.5Confident134 Ų13462 Ų6251%0.50631%0.312SS..EExtended strand (participates in β ladder)trans-113.9132.9-175.9-62.7-175.5-177.2172.32.2110.2E126 E162E126-R218 IonicContact OE1-NH2 3.95Å; E126-R218 PolarHBondContact OE1-NH2 2.72Å; E126-R218 VanDerWaalsContact OE1-NH2 3.16Å; E162-R218 PolarHBondContact N-O 2.85Å; E162-R218 PolarHBondContact O-N 3.16Å
219P88.3Confident86.6Confident28 Ų2862.1 Ų62.118%0.18232%0.317CS..EExtended strand (participates in β ladder)trans-73.4142.2173.933.9-35.3000109.1C124 P157 W161 T221 A223C124-P219 VanDerWaalsContact SG-CD 3.59Å; P157-P219 HydrophobicContact CB-CB 4.13Å; P157-P219 HydrophobicContact CG-CB 3.8Å; W161-P219 HydrophobicContact CD2-CB 4.49Å; W161-P219 HydrophobicContact CE3-CB 3.86Å; W161-P219 HydrophobicContact CH2-CB 4.35Å; W161-P219 HydrophobicContact CZ3-CB 3.81Å; W161-P219 HydrophobicContact CZ3-CG 4.15Å; P219-T221 VanDerWaalsContact C-N 3.29Å; P219-T221 VanDerWaalsContact CB-O 3.27Å; P219-T221 WeakPolarHBondContact CB-O 3.48Å; P219-A223 HydrophobicContact CB-CB 4.01Å; P219-A223 HydrophobicContact CG-CB 4.33Å
220R87.7Confident86.7Confident164 Ų16458.2 Ų58.262%0.61931%0.308SS*.SBendtrans-76.6-19.7179.3-68.9-169.267.8-152.70.7113.4G159 G160G159-R220 WeakPolarHBondContact O-CD 2.94Å; G160-R220 PolarHBondContact O-N 3Å; G160-R220 VanDerWaalsContact O-N 3.09Å
221T83.1Confident86.9Confident52 Ų5256.5 Ų56.532%0.31930%0.297SS..SBendtrans-120.8158.8170.6490000109.4P157 E158 P219 A223P157-T221 WeakPolarHBondContact CB-OG1 3.17Å; E158-T221 HydrophobicContact CB-CG2 4.42Å; E158-T221 PolarHBondContact N-OG1 2.82Å; E158-T221 WeakPolarHBondContact O-CG2 3.43Å; E158-T221 PolarHBondContact O-OG1 3.18Å; P219-T221 VanDerWaalsContact C-N 3.29Å; P219-T221 VanDerWaalsContact CB-O 3.27Å; P219-T221 WeakPolarHBondContact CB-O 3.48Å; T221-A223 PolarHBondContact O-N 2.93Å
222P79.8Confident87.2Confident121 Ų12156.8 Ų56.879%0.78630%0.299SS*.SBendtrans-60111.6-178.9-20.732000111
223A78.6Confident87.4Confident39 Ų3951.4 Ų51.432%0.32228%0.279SS..  trans-149.1164.218000000111P157 P219 T221P157-A223 HydrophobicContact CB-CB 3.8Å; P219-A223 HydrophobicContact CB-CB 4.01Å; P219-A223 HydrophobicContact CG-CB 4.33Å; T221-A223 PolarHBondContact O-N 2.93Å
224A80.7Confident87.7Confident84 Ų8451.4 Ų51.469%0.69428%0.279SS*.PPolyproline II helixtrans-63140.7173.200000110.3W161W161-A224 WeakPolarHBondContact CH2-O 3.35Å
225C82.7Confident87.9Confident50 Ų5051 Ų5134%0.33828%0.276SS..PPolyproline II helixtrans-75.2145.8-178.7-56.50000112.1C124C124-C225 WeakPolarHBondContact CA-SG 3.4Å; C124-C225 HydrophobicContact CB-CB 3.75Å; C124-C225 WeakPolarHBondContact CB-SG 3.44Å; C124-C225 WeakPolarHBondContact SG-CB 3.43Å; C124-C225 CovalentContact SG-SG 2.04Å; C124-C225 PolarHBondContact SG-SG 2.83Å
226A83.9Confident88Confident4 Ų450.9 Ų50.93%0.03328%0.275CS..PPolyproline II helixtrans-78.9155.817400000111.4W127 F151 A154 W161 L188 L217W127-A226 VanDerWaalsContact CH2-O 3.3Å; W127-A226 WeakPolarHBondContact CH2-O 3.3Å; W127-A226 VanDerWaalsContact CZ2-O 3.22Å; W127-A226 WeakPolarHBondContact CZ2-O 3.35Å; F151-A226 HydrophobicContact CB-CB 4.25Å; F151-A226 HydrophobicContact CD1-CB 4.15Å; F151-A226 HydrophobicContact CG-CB 4.48Å; A154-A226 HydrophobicContact CB-CB 3.85Å; W161-A226 HydrophobicContact CH2-CB 3.95Å; W161-A226 HydrophobicContact CZ2-CB 4.35Å; W161-A226 HydrophobicContact CZ3-CB 4.27Å; L188-A226 HydrophobicContact CD1-CB 3.55Å; L217-A226 HydrophobicContact CD2-CB 3.91Å
227R85.4Confident88.1Confident163 Ų16350.7 Ų50.762%0.61527%0.273SS*.EExtended strand (participates in β ladder)trans-105.9126.4173-172.9178.571.490.9-3.5109.9F151 A152 A229F151-R227 CarbonylContact C-O 3.53Å; F151-R227 VanDerWaalsContact CA-O 3.31Å; F151-R227 WeakPolarHBondContact CA-O 3.43Å; A152-R227 HydrophobicContact CB-CB 4.37Å; A152-R227 PolarHBondContact N-O 2.9Å; R227-A229 PolarHBondContact O-N 3.36Å
228L88.6Confident88.1Confident22 Ų2252.5 Ų52.512%0.11528%0.283CS..EExtended strand (participates in β ladder)trans-65.8123170.6-174.567.3000109.4W127 V129 L149 F151 L215 A231W127-L228 HydrophobicContact CB-CD2 3.94Å; W127-L228 HydrophobicContact CD2-CB 3.76Å; W127-L228 HydrophobicContact CD2-CD2 4.21Å; W127-L228 HydrophobicContact CE3-CB 4.27Å; W127-L228 HydrophobicContact CG-CB 4.04Å; W127-L228 HydrophobicContact CG-CD2 3.92Å; W127-L228 HydrophobicContact CZ2-CB 4.09Å; V129-L228 HydrophobicContact CG1-CD2 4.13Å; L149-L228 HydrophobicContact CB-CD1 4.02Å; L149-L228 HydrophobicContact CD2-CD1 4.08Å; F151-L228 HydrophobicContact CD1-CB 4.25Å; F151-L228 HydrophobicContact CD1-CD1 4.09Å; F151-L228 HydrophobicContact CE1-CB 4.11Å; F151-L228 HydrophobicContact CE1-CD1 3.69Å; F151-L228 HydrophobicContact CE2-CD1 4.45Å; F151-L228 HydrophobicContact CZ-CD1 3.9Å; L215-L228 HydrophobicContact CD1-CD2 4.14Å; L228-A231 HydrophobicContact CD2-CB 4.33Å
229A88.4Confident88Confident50 Ų5046.2 Ų46.241%0.41326%0.259SS..EExtended strand (participates in β ladder)trans-97.8-46.1-18000000111.2R150 R227R150-A229 WeakPolarHBondContact O-CA 3.46Å; R150-A229 WeakPolarHBondContact O-CB 3.38Å; R150-A229 PolarHBondContact O-N 3.43Å; R227-A229 PolarHBondContact O-N 3.36Å
230E89.7Confident87.6Confident124 Ų12447.5 Ų47.558%0.57927%0.268SS*.EExtended strand (participates in β ladder)trans-144.8145.2-179.9-60.6177.2-179.100110.3R150R150-E230 HydrophobicContact CB-CB 4.17Å; R150-E230 WeakPolarHBondContact CD-OE2 3.49Å; R150-E230 PolarHBondContact N-O 2.96Å; R150-E230 IonicContact NE-OE2 3.66Å; R150-E230 PolarHBondContact O-N 3.11Å
231A92.9Very high87.2Confident11 Ų1145.9 Ų45.99%0.09126%0.261CS..EExtended strand (participates in β ladder)trans-133.3135170.800000110D107 V129 E148 L149 L228D107-A231 HydrophobicContact CB-CB 4.1Å; D107-A231 WeakPolarHBondContact CB-O 3.31Å; D107-A231 PolarHBondContact N-O 3.14Å; V129-A231 HydrophobicContact CG1-CB 3.83Å; E148-A231 WeakPolarHBondContact O-CA 3.48Å; L149-A231 HydrophobicContact CD2-CB 3.61Å; L228-A231 HydrophobicContact CD2-CB 4.33Å
232S94.4Very high86.8Confident16 Ų1644.9 Ų44.911%0.11225%0.254CS..EExtended strand (participates in β ladder)trans-145.3157.9173.665.20000111.5H104 I105 E148H104-S232 VanDerWaalsContact CE1-CB 3.48Å; H104-S232 WeakPolarHBondContact CE1-CB 3.41Å; H104-S232 VanDerWaalsContact NE2-CB 3.33Å; H104-S232 WeakPolarHBondContact NE2-CB 3.02Å; H104-S232 PolarHBondContact NE2-OG 3.18Å; H104-S232 VanDerWaalsContact NE2-OG 3.1Å; I105-S232 CarbonylContact O-C 3.55Å; I105-S232 WeakPolarHBondContact O-CA 3.47Å; E148-S232 PolarHBondContact N-O 3.17Å; E148-S232 PolarHBondContact O-N 2.74Å
233L94.4Very high86.5Confident0 Ų040.4 Ų40.40%023%0.225CC..EExtended strand (participates in β ladder)trans-115.7117.2177178.670.1000108.7I105 F131 L133 A145 L196 W201 L211I105-L233 HydrophobicContact CB-CB 4.27Å; I105-L233 PolarHBondContact N-O 3.01Å; I105-L233 PolarHBondContact O-N 2.75Å; F131-L233 HydrophobicContact CB-CD2 4.29Å; F131-L233 HydrophobicContact CD1-CB 3.82Å; F131-L233 HydrophobicContact CD2-CB 4.28Å; F131-L233 HydrophobicContact CD2-CD2 4.35Å; F131-L233 HydrophobicContact CE1-CB 3.93Å; F131-L233 HydrophobicContact CE2-CB 4.36Å; F131-L233 HydrophobicContact CG-CB 4Å; F131-L233 HydrophobicContact CG-CD2 4.23Å; F131-L233 HydrophobicContact CZ-CB 4.19Å; L133-L233 HydrophobicContact CD2-CD2 4.05Å; A145-L233 HydrophobicContact CB-CD1 4.49Å; L196-L233 HydrophobicContact CD1-CD1 4.15Å; W201-L233 HydrophobicContact CH2-CD2 4.17Å; L211-L233 HydrophobicContact CD2-CD2 4.42Å
234L95.3Very high85.9Confident1 Ų143.8 Ų43.81%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-89.9109.6169-175.771.4000108.7M62 L95 V102 R103 R146M62-L234 HydrophobicContact SD-CD1 4.45Å; L95-L234 HydrophobicContact CD1-CD2 4.26Å; L95-L234 HydrophobicContact CD2-CD2 4.41Å; V102-L234 HydrophobicContact CG1-CD1 3.81Å; R103-L234 WeakPolarHBondContact O-CA 3.43Å; R146-L234 HydrophobicContact CB-CB 4.4Å; R146-L234 PolarHBondContact N-O 2.77Å; R146-L234 PolarHBondContact O-N 3.48Å
235L94.3Very high84.8Confident0 Ų045.3 Ų45.30%024%0.237CC..EExtended strand (participates in β ladder)trans-110.9130.7-177.4-176.869.4000110.4V102 R103 I105 V136 R144 A145 W207 T237V102-L235 CarbonylContact C-O 3.58Å; V102-L235 WeakPolarHBondContact CA-O 3.45Å; R103-L235 HydrophobicContact CB-CB 4.37Å; R103-L235 PolarHBondContact N-O 2.99Å; R103-L235 PolarHBondContact O-N 2.7Å; I105-L235 HydrophobicContact CD1-CB 4.35Å; I105-L235 HydrophobicContact CD1-CD2 4.21Å; V136-L235 HydrophobicContact CG2-CD2 3.82Å; R144-L235 WeakPolarHBondContact O-CA 3.41Å; R144-L235 VanDerWaalsContact O-CD1 3.26Å; R144-L235 WeakPolarHBondContact O-CD1 3.41Å; A145-L235 HydrophobicContact CB-CD1 3.91Å; W207-L235 HydrophobicContact CH2-CD1 3.32Å; W207-L235 HydrophobicContact CH2-CD2 4.01Å; W207-L235 HydrophobicContact CH2-CG 4.24Å; W207-L235 HydrophobicContact CZ2-CD1 4.14Å; W207-L235 HydrophobicContact CZ2-CD2 4.42Å; W207-L235 HydrophobicContact CZ3-CD1 3.91Å; W207-L235 HydrophobicContact CZ3-CD2 4.21Å; L235-T237 HydrophobicContact CD1-CG2 4.4Å; L235-T237 HydrophobicContact CD2-CG2 4.04Å; L235-T237 HydrophobicContact CG-CG2 4Å
236V93.4Very high83.4Confident0 Ų047.6 Ų47.60%025%0.245CC..EExtended strand (participates in β ladder)trans-118.8126.7171.9-173.10000108.8V92 L95 V97 I101 V102 S143 R144V92-V236 HydrophobicContact CG2-CG1 3.76Å; L95-V236 HydrophobicContact CD1-CG2 3.54Å; V97-V236 HydrophobicContact CG2-CB 4.13Å; V97-V236 HydrophobicContact CG2-CG1 3.83Å; V97-V236 HydrophobicContact CG2-CG2 4.15Å; I101-V236 WeakPolarHBondContact O-CA 3.41Å; V102-V236 HydrophobicContact CG1-CG2 4.32Å; V102-V236 HydrophobicContact CG2-CG1 4.33Å; V102-V236 HydrophobicContact CG2-CG2 4.25Å; S143-V236 PolarHBondContact N-O 2.88Å; R144-V236 HydrophobicContact CB-CB 3.97Å; R144-V236 HydrophobicContact CB-CG2 4Å; R144-V236 PolarHBondContact N-O 3.48Å; R144-V236 VanDerWaalsContact N-O 3.08Å; R144-V236 PolarHBondContact O-N 3.08Å
237T91Very high81.7Confident0 Ų051.9 Ų51.90%028%0.28CS..EExtended strand (participates in β ladder)trans-128.6156.6178.857.10000111.8G99 N100 I101 R103 V136 E140 R141 W207 L235G99-T237 VanDerWaalsContact CA-O 3.26Å; G99-T237 WeakPolarHBondContact CA-O 3.24Å; N100-T237 PolarHBondContact N-O 3.4Å; N100-T237 PolarHBondContact OD1-O 2.82Å; I101-T237 PolarHBondContact N-O 2.98Å; I101-T237 PolarHBondContact O-N 2.93Å; R103-T237 PolarHBondContact NH1-OG1 2.72Å; R103-T237 VanDerWaalsContact NH1-OG1 3.07Å; V136-T237 HydrophobicContact CG1-CG2 4.39Å; E140-T237 HydrophobicContact CB-CG2 4.38Å; E140-T237 WeakPolarHBondContact OE2-CB 3.43Å; E140-T237 PolarHBondContact OE2-OG1 3.19Å; R141-T237 CarbonylContact O-C 3.5Å; R141-T237 VanDerWaalsContact O-CA 3.26Å; R141-T237 WeakPolarHBondContact O-CA 3.48Å; W207-T237 HydrophobicContact CZ2-CG2 3.79Å; L235-T237 HydrophobicContact CD1-CG2 4.4Å; L235-T237 HydrophobicContact CD2-CG2 4.04Å; L235-T237 HydrophobicContact CG-CG2 4Å
238L88.8Confident79.8Confident39 Ų3955.2 Ų55.220%0.20429%0.293CS..EExtended strand (participates in β ladder)trans-116.7117175.6-177.271.2000109.1C90 N100 R141 P240 C243C90-L238 HydrophobicContact CB-CD1 3.5Å; C90-L238 VanDerWaalsContact CB-CD1 3.5Å; N100-L238 WeakPolarHBondContact OD1-CA 3.42Å; R141-L238 PolarHBondContact N-O 3.27Å; R141-L238 PolarHBondContact O-N 3.48Å; L238-P240 WeakPolarHBondContact O-CD 3.38Å; L238-C243 HydrophobicContact CD1-CB 4.4Å; L238-C243 WeakPolarHBondContact CD1-SG 3.43Å
239D87Confident77.8Confident2 Ų259.9 Ų59.91%0.01133%0.325CS..  trans-95.2108.1166.6-173.1-17.1000109.1N100 I101 E140 R241 L242 C243N100-D239 PolarHBondContact OD1-N 3.47Å; I101-D239 HydrophobicContact CD1-CB 4.14Å; E140-D239 HydrophobicContact CG-CB 4.26Å; D239-R241 PolarHBondContact O-N 3.41Å; D239-R241 VanDerWaalsContact O-N 3.16Å; D239-R241 VanDerWaalsContact OD1-CB 3.32Å; D239-R241 WeakPolarHBondContact OD1-CB 3.38Å; D239-R241 IonicContact OD1-CZ 3.32Å; D239-R241 PolarHBondContact OD1-N 3Å; D239-R241 IonicContact OD1-NE 2.69Å; D239-R241 PolarHBondContact OD1-NE 2.77Å; D239-R241 VanDerWaalsContact OD1-NE 3.1Å; D239-R241 IonicContact OD1-NH2 3.7Å; D239-R241 IonicContact OD2-CZ 3.52Å; D239-R241 IonicContact OD2-NE 2.74Å; D239-R241 PolarHBondContact OD2-NE 3.19Å; D239-R241 IonicContact OD2-NH2 2.77Å; D239-R241 PolarHBondContact OD2-NH2 3.42Å; D239-L242 HydrophobicContact CB-CB 4.42Å; D239-L242 HydrophobicContact CB-CD1 3.77Å; D239-L242 HydrophobicContact CB-CG 4.07Å; D239-L242 PolarHBondContact O-N 3.04Å; D239-L242 VanDerWaalsContact O-N 3.11Å; D239-C243 PolarHBondContact O-SG 3.22Å
240P80.1Confident75.9Confident56 Ų5665.4 Ų65.436%0.36434%0.335SS..G310 helixtrans-62.1-24-17826.4-34.3000113.1L238 L242 C243L238-P240 WeakPolarHBondContact O-CD 3.38Å; P240-L242 PolarHBondContact O-N 3.34Å; P240-C243 PolarHBondContact O-N 3.28Å
241R78.3Confident73.7Confident129 Ų12970.7 Ų70.749%0.48735%0.349SS..G310 helixtrans-72.5-17.6179.6-57.7172.9-63.3172.14.2113.1E137 D239 H244E137-R241 IonicContact OE2-CZ 3.69Å; E137-R241 IonicContact OE2-NH1 3.08Å; E137-R241 IonicContact OE2-NH2 3.83Å; E137-R241 PolarHBondContact OE2-NH2 2.91Å; D239-R241 PolarHBondContact O-N 3.41Å; D239-R241 VanDerWaalsContact O-N 3.16Å; D239-R241 VanDerWaalsContact OD1-CB 3.32Å; D239-R241 WeakPolarHBondContact OD1-CB 3.38Å; D239-R241 IonicContact OD1-CZ 3.32Å; D239-R241 PolarHBondContact OD1-N 3Å; D239-R241 IonicContact OD1-NE 2.69Å; D239-R241 PolarHBondContact OD1-NE 2.77Å; D239-R241 VanDerWaalsContact OD1-NE 3.1Å; D239-R241 IonicContact OD1-NH2 3.7Å; D239-R241 IonicContact OD2-CZ 3.52Å; D239-R241 IonicContact OD2-NE 2.74Å; D239-R241 PolarHBondContact OD2-NE 3.19Å; D239-R241 IonicContact OD2-NH2 2.77Å; D239-R241 PolarHBondContact OD2-NH2 3.42Å; R241-H244 PolarHBondContact O-CE1 3Å
242L74.9Confident71.1Confident32 Ų3275.7 Ų75.717%0.16838%0.375CS..G310 helixtrans-103.4-1.5178.5-56172.7000111.2N100 D239 P240 E360N100-L242 WeakPolarHBondContact ND2-CB 3.44Å; D239-L242 HydrophobicContact CB-CB 4.42Å; D239-L242 HydrophobicContact CB-CD1 3.77Å; D239-L242 HydrophobicContact CB-CG 4.07Å; D239-L242 PolarHBondContact O-N 3.04Å; D239-L242 VanDerWaalsContact O-N 3.11Å; P240-L242 PolarHBondContact O-N 3.34Å; L242-E360 WeakPolarHBondContact O-CG 3.42Å
243C73Confident68.6Low27 Ų2777.3 Ų77.318%0.18239%0.389CS..  trans-114.873.8-173.8-67.60000109.3C90 N100 L238 D239 P240C90-C243 HydrophobicContact CB-CB 3.87Å; C90-C243 WeakPolarHBondContact CB-SG 3.17Å; C90-C243 WeakPolarHBondContact SG-CA 3.47Å; C90-C243 WeakPolarHBondContact SG-CB 3.46Å; C90-C243 CovalentContact SG-SG 2.02Å; C90-C243 PolarHBondContact SG-SG 3.45Å; N100-C243 VanDerWaalsContact CG-SG 3.59Å; L238-C243 HydrophobicContact CD1-CB 4.4Å; L238-C243 WeakPolarHBondContact CD1-SG 3.43Å; D239-C243 PolarHBondContact O-SG 3.22Å; P240-C243 PolarHBondContact O-N 3.28Å
244H67.3Low66Low110 Ų11085.7 Ų85.751%0.50943%0.428SS..PPolyproline II helixtrans-85.6136.7172.4-60.399.5000109.2R241 L246R241-H244 PolarHBondContact O-CE1 3Å; H244-L246 PolarHBondContact O-N 2.94Å; H244-L246 VanDerWaalsContact O-N 3.15Å
245P56.4Low63.2Low116 Ų11691.3 Ų91.375%0.75347%0.465SS*.PPolyproline II helixtrans-58.2123.5171-11.622.3000108A247P245-A247 PolarHBondContact O-N 3.09Å
246L54.3Low60.7Low98 Ų9896.4 Ų96.451%0.51350%0.496SS..PPolyproline II helixtrans-50.8116.2173.1-69.3169.7000107.8P89 H244 R248P89-L246 HydrophobicContact CG-CD1 3.94Å; P89-L246 HydrophobicContact CG-CG 3.96Å; H244-L246 PolarHBondContact O-N 2.94Å; H244-L246 VanDerWaalsContact O-N 3.15Å; L246-R248 PolarHBondContact O-N 2.88Å
247A47.5Very low58.5Low93 Ų93104 Ų10477%0.76954%0.535SS*.PPolyproline II helixtrans-51.6132.9171.900000107.7P245P245-A247 PolarHBondContact O-N 3.09Å
248R46.8Very low56Low234 Ų234106.7 Ų106.788%0.88356%0.563SS**  trans-39.7129.8-174.2-122.2-177.6-157.2178.75.9110.6L246 R250L246-R248 PolarHBondContact O-N 2.88Å; R248-R250 PolarHBondContact O-N 3.18Å
249P46Very low54Low119 Ų119108.8 Ų108.877%0.77359%0.594SS**  trans-54.7114.4176.4-20.529.7000108.8
250R48.4Very low51.9Low166 Ų166112.8 Ų112.863%0.62662%0.623SS**PPolyproline II helixtrans-79.1135.6165.1-151.2173.4-177.2145.8-1.1106R248 D252R248-R250 PolarHBondContact O-N 3.18Å; R250-D252 PolarHBondContact O-N 3.14Å
251R43.2Very low50.5Low235 Ų235116.4 Ų116.489%0.88765%0.646SS**PPolyproline II helixtrans-49.7133.2-172.6-63.4-179.1-171.1-174.91.9110.6A253R251-A253 PolarHBondContact O-N 3.08Å
252D38.8Very low49.5Very low117 Ų117112.4 Ų112.463%0.62665%0.645SS**PPolyproline II helixtrans-50.6130.1173.5-65.4-73.8000110R250 R339R250-D252 PolarHBondContact O-N 3.14Å; D252-R339 IonicContact OD1-CZ 2.71Å; D252-R339 VanDerWaalsContact OD1-CZ 3.28Å; D252-R339 IonicContact OD1-NH1 2.74Å; D252-R339 PolarHBondContact OD1-NH1 3.02Å; D252-R339 IonicContact OD1-NH2 3.37Å; D252-R339 PolarHBondContact OD1-NH2 3.02Å
253A40.7Very low49.3Very low50 Ų50111.4 Ų111.441%0.41364%0.643SS.*  trans-106.6124.3168.200000108.7R251R251-A253 PolarHBondContact O-N 3.08Å
254E40.2Very low49.5Very low175 Ų175113 Ų11382%0.81866%0.657SS**PPolyproline II helixtrans-57.5143.3175.5-82.4-103.1131.200111.8V256E254-V256 PolarHBondContact O-N 2.79Å
255P37.9Very low50.3Low119 Ų119108.8 Ų108.877%0.77364%0.64SS**PPolyproline II helixtrans-78116.9-178.929.9-31.1000111.4
256V40.9Very low51.6Low107 Ų107108.4 Ų108.465%0.64862%0.624SS**PPolyproline II helixtrans-94.2131.8171.7-179.90000111.3E254 G308E254-V256 PolarHBondContact O-N 2.79Å; V256-G308 WeakPolarHBondContact CG2-O 3.37Å
257L47.4Very low53Low159 Ų159105.7 Ų105.783%0.83262%0.615SS**  trans-84113.3173.3-81.7148.2000110.1
258G37.1Very low54.9Low57 Ų57104.7 Ų104.759%0.58859%0.592SS**  trans-149.7122171.500000111.4
259G47.1Very low56.9Low83 Ų83104 Ų10486%0.85659%0.589SS**  trans-96.3136-168.200000114.6
260S44Very low59Low87 Ų87102 Ų10261%0.60857%0.572SS**  trans-149.6153.6158.5-168.60000106.7G262 G263S260-G262 PolarHBondContact O-N 2.89Å; S260-G263 PolarHBondContact O-N 3.31Å
261P49.8Very low60.9Low131 Ų13199.8 Ų99.885%0.85156%0.564SS**THydrogen-bonded Turntrans-70.896.9-171.7-1.717000109.7
262G58.4Low63Low46 Ų4690.1 Ų90.147%0.47453%0.531SS..THydrogen-bonded Turntrans137.8-28.7-168.500000112.6S260S260-G262 PolarHBondContact O-N 2.89Å
263G70.8Confident65.3Low11 Ų1185.3 Ų85.311%0.11351%0.506CS..  trans68.1150.8176.500000114.7S260 G296 Q297S260-G263 PolarHBondContact O-N 3.31Å; G263-G296 WeakPolarHBondContact O-CA 3.14Å; G263-Q297 PolarHBondContact O-N 3.11Å
264A77.6Confident67.6Low59 Ų5983.2 Ų83.249%0.48849%0.488SS..BIsolated β-bridgetrans-60.9149.7168.900000111.4R266A264-R266 WeakPolarHBondContact O-CG 3.42Å; A264-R266 PolarHBondContact O-N 2.96Å
265C83.3Confident69.9Low22 Ų2282.8 Ų82.815%0.14948%0.479CS..SBendtrans-52.2117.8175.9175.60000111.5Q297 C335C265-Q297 PolarHBondContact N-O 3.12Å; C265-C335 WeakPolarHBondContact CA-SG 3.34Å; C265-C335 HydrophobicContact CB-CB 3.78Å; C265-C335 WeakPolarHBondContact CB-SG 3.38Å; C265-C335 VanDerWaalsContact SG-CA 3.51Å; C265-C335 WeakPolarHBondContact SG-CB 3.38Å; C265-C335 CovalentContact SG-SG 2.04Å; C265-C335 PolarHBondContact SG-SG 2.04Å
266R84.1Confident72.1Confident108 Ų10884.7 Ų84.741%0.40848%0.478SS..EExtended strand (participates in β ladder)trans-153.5161.9178.762.1-177.4157.3170.6-3.8112.4A264 R268 Q295A264-R266 WeakPolarHBondContact O-CG 3.42Å; A264-R266 PolarHBondContact O-N 2.96Å; R266-R268 VanDerWaalsContact CZ-NH1 3.3Å; R266-R268 VanDerWaalsContact NE-NH2 3.14Å; R266-R268 VanDerWaalsContact NH2-NH2 3.14Å; R266-Q295 PolarHBondContact N-O 2.77Å; R266-Q295 PolarHBondContact O-N 3.06Å; R266-Q295 VanDerWaalsContact O-N 3.11Å; R266-Q295 VanDerWaalsContact O-O 3.1Å
267A83.4Confident74Confident41 Ų4182.2 Ų82.234%0.33946%0.463SS..EExtended strand (participates in β ladder)trans-68.4135.9170.700000110.5Y293 V364 C367A267-Y293 CarbonylContact C-O 3.5Å; A267-V364 HydrophobicContact CB-CG1 4.41Å; A267-C367 WeakPolarHBondContact CA-SG 3.37Å; A267-C367 PolarHBondContact N-SG 2.98Å; A267-C367 VanDerWaalsContact N-SG 3.38Å
268R87.1Confident75.7Confident72 Ų7276.3 Ų76.327%0.27244%0.44SS..EExtended strand (participates in β ladder)trans-116.3144.4174.5-61.1-57.8-173.9156.210.5109R266 N292 Y293 Q295R266-R268 VanDerWaalsContact CZ-NH1 3.3Å; R266-R268 VanDerWaalsContact NE-NH2 3.14Å; R266-R268 VanDerWaalsContact NH2-NH2 3.14Å; R268-N292 CarbonylContact O-C 3.58Å; R268-N292 WeakPolarHBondContact O-CA 3.41Å; R268-N292 VanDerWaalsContact O-CB 3.23Å; R268-N292 WeakPolarHBondContact O-CB 3.42Å; R268-Y293 HydrophobicContact CB-CD1 3.89Å; R268-Y293 HydrophobicContact CB-CE1 3.44Å; R268-Y293 VanDerWaalsContact CB-CE1 3.44Å; R268-Y293 HydrophobicContact CB-CE2 4.15Å; R268-Y293 HydrophobicContact CB-CG 4.42Å; R268-Y293 HydrophobicContact CG-CE1 4.44Å; R268-Y293 HydrophobicContact CG-CE2 4.37Å; R268-Y293 PolarHBondContact N-O 3.35Å; R268-Y293 PolarHBondContact O-N 2.98Å; R268-Q295 HydrophobicContact CG-CB 3.81Å
269R88.8Confident78.1Confident219 Ų21974.1 Ų74.183%0.82641%0.414SS*.  trans-72.9132.4-179-67.9-176.2178.4-178.5-0.3110.2N292R269-N292 WeakPolarHBondContact CA-OD1 3.49Å
270L89.5Confident79.8Confident78 Ų7873 Ų7341%0.40839%0.386SS..  trans-141.2119170.8172.967.3000107.3V272 L290 A291 N292 Y293L270-V272 HydrophobicContact CD2-CG2 4.44Å; L270-V272 HydrophobicContact CG-CG2 4.33Å; L270-L290 CarbonylContact O-C 3.45Å; L270-L290 WeakPolarHBondContact O-CA 3.07Å; L270-A291 PolarHBondContact O-N 3.25Å; L270-N292 PolarHBondContact O-N 2.56Å; L270-N292 VanDerWaalsContact O-N 3.16Å; L270-Y293 HydrophobicContact CB-CD1 3.71Å; L270-Y293 HydrophobicContact CB-CE1 4.21Å; L270-Y293 HydrophobicContact CD2-CD1 4.3Å
271Y89Confident81.8Confident120 Ų12077 Ų7747%0.47139%0.388SS..EExtended strand (participates in β ladder)trans-93.5127172.2-175.8-101.1000108.9G288 F289 L290Y271-G288 VanDerWaalsContact OH-CA 3.31Å; Y271-G288 WeakPolarHBondContact OH-CA 3.48Å; Y271-F289 WeakPolarHBondContact CD2-O 3.48Å; Y271-L290 HydrophobicContact CD2-CD2 4.13Å; Y271-L290 HydrophobicContact CD2-CG 4.21Å
272V88Confident83.6Confident31 Ų3171.1 Ų71.119%0.18835%0.349CS..EExtended strand (participates in β ladder)trans-104.6112.7175.7177.80000108L270 V277 G288 F289 A291L270-V272 HydrophobicContact CD2-CG2 4.44Å; L270-V272 HydrophobicContact CG-CG2 4.33Å; V272-V277 HydrophobicContact CG1-CG2 4.06Å; V272-G288 CarbonylContact O-C 3.29Å; V272-G288 WeakPolarHBondContact O-CA 3.46Å; V272-F289 HydrophobicContact CB-CD1 4.45Å; V272-F289 HydrophobicContact CB-CE1 4.09Å; V272-F289 HydrophobicContact CG1-CE1 4.29Å; V272-F289 PolarHBondContact N-O 2.88Å; V272-F289 PolarHBondContact O-N 2.87Å; V272-A291 HydrophobicContact CG2-CB 3.7Å
273S87.1Confident85.1Confident16 Ų1669.1 Ų69.111%0.11233%0.327CS..EExtended strand (participates in β ladder)trans-88.2119.8175.3174.60000110.3R275 E276 V277S273-R275 PolarHBondContact O-N 2.77Å; S273-R275 VanDerWaalsContact O-N 3.13Å; S273-R275 PolarHBondContact OG-N 3.23Å; S273-E276 VanDerWaalsContact CB-CD 3.44Å; S273-E276 WeakPolarHBondContact CB-OE1 3.26Å; S273-E276 PolarHBondContact O-N 3.26Å; S273-E276 VanDerWaalsContact O-N 3.09Å; S273-V277 WeakPolarHBondContact O-CG2 3.26Å; S273-V277 PolarHBondContact O-N 3.18Å
274F88.1Confident86.1Confident7 Ų769.6 Ų69.63%0.03133%0.327CS..THydrogen-bonded Turntrans-66.8-14.4174.6-66-28.5000112.7G278 W279 H280 V283 P286 R287 F289F274-G278 PolarHBondContact O-N 2.9Å; F274-W279 HydrophobicContact CB-CB 4.16Å; F274-W279 HydrophobicContact CD1-CE3 4.07Å; F274-W279 HydrophobicContact CE1-CE3 4.18Å; F274-W279 HydrophobicContact CE1-CZ3 4.41Å; F274-W279 CarbonylContact O-C 3.57Å; F274-W279 WeakPolarHBondContact O-CA 3.28Å; F274-W279 PolarHBondContact O-N 2.86Å; F274-H280 PolarHBondContact O-N 2.91Å; F274-V283 HydrophobicContact CD2-CB 4.21Å; F274-V283 HydrophobicContact CD2-CG1 3.62Å; F274-V283 HydrophobicContact CD2-CG2 4.4Å; F274-V283 HydrophobicContact CE2-CG1 3.89Å; F274-P286 WeakPolarHBondContact CD2-O 3.5Å; F274-P286 HydrophobicContact CE2-CG 3.96Å; F274-R287 WeakPolarHBondContact CB-O 3.43Å; F274-R287 PolarHBondContact N-O 3.1Å; F274-F289 AromaticContact CE1-CD1 3.94Å; F274-F289 HydrophobicContact CE1-CD1 3.94Å; F274-F289 AromaticContact CE1-CE1 3.75Å; F274-F289 HydrophobicContact CE1-CE1 3.75Å; F274-F289 AromaticContact CZ-CD1 3.79Å; F274-F289 HydrophobicContact CZ-CD1 3.79Å; F274-F289 AromaticContact CZ-CE1 3.92Å; F274-F289 HydrophobicContact CZ-CE1 3.92Å
275R87.8Confident86.8Confident166 Ų16667.1 Ų67.163%0.62631%0.307SS*.THydrogen-bonded Turntrans-68.7-47.9169.4-175-179.2-69.1-84.93.6111.4S273 V277 G278 H280S273-R275 PolarHBondContact O-N 2.77Å; S273-R275 VanDerWaalsContact O-N 3.13Å; S273-R275 PolarHBondContact OG-N 3.23Å; R275-V277 VanDerWaalsContact C-N 3.32Å; R275-V277 PolarHBondContact O-N 2.83Å; R275-G278 WeakPolarHBondContact O-CA 3.42Å; R275-G278 PolarHBondContact O-N 2.98Å; R275-H280 HydrophobicContact CB-CB 4.23Å; R275-H280 PolarHBondContact O-ND1 3.04Å
276E84.7Confident87.2Confident159 Ų15967.1 Ų67.174%0.74331%0.306SS*.THydrogen-bonded Turntrans-66.5-35.1-177.9-69.9162.8-152.500111.8S273 G278S273-E276 VanDerWaalsContact CB-CD 3.44Å; S273-E276 WeakPolarHBondContact CB-OE1 3.26Å; S273-E276 PolarHBondContact O-N 3.26Å; S273-E276 VanDerWaalsContact O-N 3.09Å; E276-G278 PolarHBondContact O-N 2.93Å
277V81.8Confident87.4Confident55 Ų5569.7 Ų69.733%0.33332%0.316SS..THydrogen-bonded Turntrans-77.2-7.5174-168.20000112.2V272 S273 R275 W279V272-V277 HydrophobicContact CG1-CG2 4.06Å; S273-V277 WeakPolarHBondContact O-CG2 3.26Å; S273-V277 PolarHBondContact O-N 3.18Å; R275-V277 VanDerWaalsContact C-N 3.32Å; R275-V277 PolarHBondContact O-N 2.83Å; V277-W279 HydrophobicContact CB-CG 4.44Å; V277-W279 HydrophobicContact CG1-CD2 4.11Å; V277-W279 HydrophobicContact CG1-CG 4.21Å; V277-W279 HydrophobicContact CG1-CZ2 4.31Å; V277-W279 VanDerWaalsContact O-CD1 3.28Å
278G83.3Confident87.6Confident34 Ų3468 Ų6835%0.35130%0.303SS..THydrogen-bonded Turntrans83.28.4178.200000115.2F274 R275 E276F274-G278 PolarHBondContact O-N 2.9Å; R275-G278 WeakPolarHBondContact O-CA 3.42Å; R275-G278 PolarHBondContact O-N 2.98Å; E276-G278 PolarHBondContact O-N 2.93Å
279W86.8Confident87.7Confident11 Ų1165 Ų654%0.04229%0.292CS..G310 helixtrans-90.5-13.1-174.7-66.57.9000114.8L39 L40 L43 F274 V277 R281 W282 V283L39-W279 HydrophobicContact CB-CH2 4.19Å; L39-W279 HydrophobicContact CB-CZ2 4.27Å; L39-W279 HydrophobicContact CD2-CH2 3.37Å; L39-W279 HydrophobicContact CD2-CZ2 3.74Å; L39-W279 HydrophobicContact CD2-CZ3 4.02Å; L39-W279 HydrophobicContact CG-CH2 3.53Å; L39-W279 HydrophobicContact CG-CZ2 4.05Å; L39-W279 HydrophobicContact CG-CZ3 4.43Å; L40-W279 HydrophobicContact CD2-CH2 4Å; L40-W279 HydrophobicContact CD2-CZ2 3.44Å; L40-W279 VanDerWaalsContact CD2-CZ2 3.44Å; L40-W279 HydrophobicContact CG-CH2 4.48Å; L40-W279 HydrophobicContact CG-CZ2 3.72Å; L43-W279 HydrophobicContact CD1-CE3 4.42Å; L43-W279 HydrophobicContact CD1-CH2 3.25Å; L43-W279 HydrophobicContact CD1-CZ3 3.18Å; L43-W279 HydrophobicContact CG-CH2 4.35Å; F274-W279 HydrophobicContact CB-CB 4.16Å; F274-W279 HydrophobicContact CD1-CE3 4.07Å; F274-W279 HydrophobicContact CE1-CE3 4.18Å; F274-W279 HydrophobicContact CE1-CZ3 4.41Å; F274-W279 CarbonylContact O-C 3.57Å; F274-W279 WeakPolarHBondContact O-CA 3.28Å; F274-W279 PolarHBondContact O-N 2.86Å; V277-W279 HydrophobicContact CB-CG 4.44Å; V277-W279 HydrophobicContact CG1-CD2 4.11Å; V277-W279 HydrophobicContact CG1-CG 4.21Å; V277-W279 HydrophobicContact CG1-CZ2 4.31Å; V277-W279 VanDerWaalsContact O-CD1 3.28Å; W279-R281 PolarHBondContact O-N 2.97Å; W279-W282 HydrophobicContact CB-CZ2 3.69Å; W279-W282 AromaticContact CD1-CZ2 3.94Å; W279-W282 HydrophobicContact CD2-CH2 4.02Å; W279-W282 AromaticContact CD2-CZ2 3.41Å; W279-W282 HydrophobicContact CD2-CZ2 3.41Å; W279-W282 VanDerWaalsContact CD2-CZ2 3.41Å; W279-W282 AromaticContact CE2-CZ2 3.95Å; W279-W282 AromaticContact CE3-CH2 3.81Å; W279-W282 HydrophobicContact CE3-CH2 3.81Å; W279-W282 AromaticContact CE3-CZ2 3.71Å; W279-W282 HydrophobicContact CE3-CZ2 3.71Å; W279-W282 AromaticContact CG-CE2 3.89Å; W279-W282 HydrophobicContact CG-CH2 4.37Å; W279-W282 AromaticContact CG-CZ2 3.42Å; W279-W282 HydrophobicContact CG-CZ2 3.42Å; W279-W282 VanDerWaalsContact CG-CZ2 3.42Å; W279-W282 HydrophobicContact CZ3-CH2 4.25Å; W279-W282 HydrophobicContact CZ3-CZ2 4.42Å; W279-W282 PolarHBondContact O-N 3.34Å; W279-V283 HydrophobicContact CB-CG2 4.04Å; W279-V283 PolarHBondContact O-N 2.95Å
280H83.3Confident87.7Confident60 Ų6057.4 Ų57.428%0.27827%0.267SS..G310 helixtrans-52.6-16.6174.667.1-79.3000114.7F274 R275F274-H280 PolarHBondContact O-N 2.91Å; R275-H280 HydrophobicContact CB-CB 4.23Å; R275-H280 PolarHBondContact O-ND1 3.04Å
281R85.9Confident87.6Confident171 Ų17154.2 Ų54.265%0.64525%0.253SS*.G310 helixtrans-69.3-34.6177.1-65.7-174.1179179.51.8112.2G51 A52 W279G51-R281 CarbonylContact C-O 3.52Å; A52-R281 WeakPolarHBondContact CA-O 3.26Å; A52-R281 WeakPolarHBondContact CB-O 2.84Å; A52-R281 PolarHBondContact N-O 2.98Å; W279-R281 PolarHBondContact O-N 2.97Å
282W86.9Confident87.7Confident7 Ų750.1 Ų50.13%0.02724%0.239CC..THydrogen-bonded Turntrans-122.9-24.5-17454-95.5000113.1L40 L45 P49 W279 I284 F347 F348L40-W282 HydrophobicContact CD2-CZ2 4.16Å; L45-W282 HydrophobicContact CD1-CH2 3.49Å; L45-W282 VanDerWaalsContact CD1-CH2 3.49Å; L45-W282 HydrophobicContact CD1-CZ2 4.34Å; L45-W282 HydrophobicContact CD1-CZ3 3.76Å; P49-W282 HydrophobicContact CB-CB 3.78Å; P49-W282 HydrophobicContact CB-CD2 4.27Å; P49-W282 HydrophobicContact CB-CG 3.9Å; P49-W282 HydrophobicContact CG-CB 4.27Å; P49-W282 HydrophobicContact CG-CD2 3.85Å; P49-W282 HydrophobicContact CG-CE3 3.8Å; P49-W282 HydrophobicContact CG-CG 4.02Å; P49-W282 HydrophobicContact CG-CZ3 4.45Å; W279-W282 HydrophobicContact CB-CZ2 3.69Å; W279-W282 AromaticContact CD1-CZ2 3.94Å; W279-W282 HydrophobicContact CD2-CH2 4.02Å; W279-W282 AromaticContact CD2-CZ2 3.41Å; W279-W282 HydrophobicContact CD2-CZ2 3.41Å; W279-W282 VanDerWaalsContact CD2-CZ2 3.41Å; W279-W282 AromaticContact CE2-CZ2 3.95Å; W279-W282 AromaticContact CE3-CH2 3.81Å; W279-W282 HydrophobicContact CE3-CH2 3.81Å; W279-W282 AromaticContact CE3-CZ2 3.71Å; W279-W282 HydrophobicContact CE3-CZ2 3.71Å; W279-W282 AromaticContact CG-CE2 3.89Å; W279-W282 HydrophobicContact CG-CH2 4.37Å; W279-W282 AromaticContact CG-CZ2 3.42Å; W279-W282 HydrophobicContact CG-CZ2 3.42Å; W279-W282 VanDerWaalsContact CG-CZ2 3.42Å; W279-W282 HydrophobicContact CZ3-CH2 4.25Å; W279-W282 HydrophobicContact CZ3-CZ2 4.42Å; W279-W282 PolarHBondContact O-N 3.34Å; W282-I284 PolarHBondContact O-N 2.98Å; W282-F347 HydrophobicContact CE3-CB 3.71Å; W282-F347 AromaticContact CE3-CD2 3.81Å; W282-F347 HydrophobicContact CE3-CD2 3.81Å; W282-F347 AromaticContact CE3-CG 4Å; W282-F347 HydrophobicContact CE3-CG 4Å; W282-F347 HydrophobicContact CZ3-CB 3.91Å; W282-F347 AromaticContact CZ3-CD2 3.83Å; W282-F347 HydrophobicContact CZ3-CD2 3.83Å; W282-F347 AromaticContact CZ3-CG 3.88Å; W282-F347 HydrophobicContact CZ3-CG 3.88Å; W282-F347 WeakPolarHBondContact O-CA 3.37Å; W282-F347 WeakPolarHBondContact O-CB 3.33Å; W282-F348 PolarHBondContact O-N 2.84Å
283V90Very high87.8Confident4 Ų453.1 Ų53.12%0.02425%0.248CC..EExtended strand (participates in β ladder)trans-75.8122.9169.9-178.40000110.2F274 W279 V345 F347F274-V283 HydrophobicContact CD2-CB 4.21Å; F274-V283 HydrophobicContact CD2-CG1 3.62Å; F274-V283 HydrophobicContact CD2-CG2 4.4Å; F274-V283 HydrophobicContact CE2-CG1 3.89Å; W279-V283 HydrophobicContact CB-CG2 4.04Å; W279-V283 PolarHBondContact O-N 2.95Å; V283-V345 HydrophobicContact CG1-CG1 3.81Å; V283-V345 HydrophobicContact CG2-CG1 4.33Å; V283-F347 HydrophobicContact CG2-CB 4.38Å
284I91.6Very high87.8Confident21 Ų2153.6 Ų53.611%0.10825%0.25CS..EExtended strand (participates in β ladder)trans-81.5-51.8176.5-59.7153.9000109.3V58 W63 W282 L346 F348 V354V58-I284 HydrophobicContact CG2-CD1 3.56Å; V58-I284 HydrophobicContact CG2-CG1 4.19Å; V58-I284 HydrophobicContact CG2-CG2 4.1Å; W63-I284 HydrophobicContact CH2-CG2 3.72Å; W63-I284 HydrophobicContact CZ2-CG2 3.58Å; W282-I284 PolarHBondContact O-N 2.98Å; I284-L346 WeakPolarHBondContact CA-O 3.39Å; I284-L346 HydrophobicContact CB-CB 4.49Å; I284-L346 HydrophobicContact CB-CD2 4.34Å; I284-L346 HydrophobicContact CB-CG 4.15Å; I284-L346 VanDerWaalsContact CB-O 3.31Å; I284-L346 WeakPolarHBondContact CB-O 3.26Å; I284-L346 HydrophobicContact CD1-CD2 4.5Å; I284-L346 HydrophobicContact CD1-CG 3.95Å; I284-L346 HydrophobicContact CG2-CD2 4.04Å; I284-L346 HydrophobicContact CG2-CG 4.39Å; I284-L346 PolarHBondContact N-O 2.98Å; I284-F348 HydrophobicContact CD1-CD2 3.76Å; I284-F348 HydrophobicContact CD1-CE2 3.57Å; I284-F348 HydrophobicContact CD1-CG 4.35Å; I284-F348 HydrophobicContact CD1-CZ 4Å; I284-F348 HydrophobicContact CG1-CD2 3.78Å; I284-F348 HydrophobicContact CG1-CE2 3.59Å; I284-F348 HydrophobicContact CG1-CZ 4.44Å; I284-V354 HydrophobicContact CD1-CG1 4.18Å
285A91.6Very high87.8Confident8 Ų857.8 Ų57.87%0.06627%0.27CS..EExtended strand (participates in β ladder)trans-153.9152.1-178.400000112.2W63 F66 L346W63-A285 HydrophobicContact CH2-CB 3.99Å; W63-A285 HydrophobicContact CZ3-CB 3.9Å; F66-A285 HydrophobicContact CD1-CB 4.31Å; F66-A285 HydrophobicContact CE1-CB 3.72Å; F66-A285 HydrophobicContact CE2-CB 4.04Å; F66-A285 HydrophobicContact CZ-CB 3.57Å; A285-L346 HydrophobicContact CB-CB 4.39Å; A285-L346 PolarHBondContact N-O 3.49Å; A285-L346 VanDerWaalsContact N-O 3.09Å; A285-L346 PolarHBondContact O-N 2.02Å
286P92.2Very high87.6Confident21 Ų2150.9 Ų50.914%0.13625%0.25CS..  cis-68.9175.9-9.232-36.7000111.3F66 F274 G288 S344F66-P286 HydrophobicContact CZ-CB 4.42Å; F274-P286 WeakPolarHBondContact CD2-O 3.5Å; F274-P286 HydrophobicContact CE2-CG 3.96Å; P286-G288 VanDerWaalsContact C-N 3.28Å; P286-S344 WeakPolarHBondContact CD-O 3.5Å
287R89.1Confident87.4Confident162 Ų16249.6 Ų49.661%0.61125%0.245SC*.SBendtrans-79.5-16.6173.1-65.1-58.3-172.1-175.7-0.2113.2F274F274-R287 WeakPolarHBondContact CB-O 3.43Å; F274-R287 PolarHBondContact N-O 3.1Å
288G87.9Confident87.2Confident7 Ų747.5 Ų47.57%0.07223%0.232CC..EExtended strand (participates in β ladder)trans169.7169.9-179.500000108.5Y271 V272 P286Y271-G288 VanDerWaalsContact OH-CA 3.31Å; Y271-G288 WeakPolarHBondContact OH-CA 3.48Å; V272-G288 CarbonylContact O-C 3.29Å; V272-G288 WeakPolarHBondContact O-CA 3.46Å; P286-G288 VanDerWaalsContact C-N 3.28Å
289F89Confident86.4Confident9 Ų949.7 Ų49.74%0.03925%0.247CC..EExtended strand (participates in β ladder)trans-148.6161.2-175.571.1-77.1000111Y271 V272 F274 A291 I343 M362 V363Y271-F289 WeakPolarHBondContact CD2-O 3.48Å; V272-F289 HydrophobicContact CB-CD1 4.45Å; V272-F289 HydrophobicContact CB-CE1 4.09Å; V272-F289 HydrophobicContact CG1-CE1 4.29Å; V272-F289 PolarHBondContact N-O 2.88Å; V272-F289 PolarHBondContact O-N 2.87Å; F274-F289 AromaticContact CE1-CD1 3.94Å; F274-F289 HydrophobicContact CE1-CD1 3.94Å; F274-F289 AromaticContact CE1-CE1 3.75Å; F274-F289 HydrophobicContact CE1-CE1 3.75Å; F274-F289 AromaticContact CZ-CD1 3.79Å; F274-F289 HydrophobicContact CZ-CD1 3.79Å; F274-F289 AromaticContact CZ-CE1 3.92Å; F274-F289 HydrophobicContact CZ-CE1 3.92Å; F289-A291 HydrophobicContact CD2-CB 4.22Å; F289-A291 HydrophobicContact CE2-CB 3.52Å; F289-A291 HydrophobicContact CZ-CB 3.89Å; F289-A291 PolarHBondContact O-N 3.39Å; F289-I343 HydrophobicContact CD1-CD1 3.93Å; F289-I343 HydrophobicContact CD2-CD1 4.22Å; F289-I343 HydrophobicContact CD2-CG2 3.91Å; F289-I343 HydrophobicContact CE1-CD1 3.83Å; F289-I343 HydrophobicContact CE2-CD1 4.1Å; F289-I343 HydrophobicContact CE2-CG2 4.3Å; F289-I343 HydrophobicContact CG-CD1 4.14Å; F289-I343 HydrophobicContact CG-CG2 4.37Å; F289-I343 HydrophobicContact CZ-CD1 3.93Å; F289-M362 HydrophobicContact CE1-CE 4.4Å; F289-M362 HydrophobicContact CE2-CB 4.36Å; F289-M362 WeakPolarHBondContact CE2-O 3.45Å; F289-M362 HydrophobicContact CZ-CE 3.79Å; F289-V363 HydrophobicContact CD2-CG2 3.7Å; F289-V363 HydrophobicContact CE2-CG2 3.92Å
290L87.6Confident85Confident58 Ų5852.1 Ų52.130%0.30426%0.26SS..EExtended strand (participates in β ladder)trans-82.890.3174.3-75.2167.9000110L270 Y271 N292 V363L270-L290 CarbonylContact O-C 3.45Å; L270-L290 WeakPolarHBondContact O-CA 3.07Å; Y271-L290 HydrophobicContact CD2-CD2 4.13Å; Y271-L290 HydrophobicContact CD2-CG 4.21Å; L290-N292 VanDerWaalsContact C-N 3.33Å; L290-V363 WeakPolarHBondContact O-CG1 3.38Å
291A88.9Confident83.6Confident12 Ų1252.4 Ų52.410%0.09927%0.268CS..  trans-66.9-36.1176.800000112.2L270 V272 F289 V363 V364L270-A291 PolarHBondContact O-N 3.25Å; V272-A291 HydrophobicContact CG2-CB 3.7Å; F289-A291 HydrophobicContact CD2-CB 4.22Å; F289-A291 HydrophobicContact CE2-CB 3.52Å; F289-A291 HydrophobicContact CZ-CB 3.89Å; F289-A291 PolarHBondContact O-N 3.39Å; A291-V363 WeakPolarHBondContact O-CA 3.35Å; A291-V364 PolarHBondContact O-N 2.85Å
292N90.7Very high81.6Confident34 Ų3451.3 Ų51.318%0.18228%0.279CS..  trans57.1168.7-170.3-52.3-36.8000112.7R268 R269 L270 L290 V364R268-N292 CarbonylContact O-C 3.58Å; R268-N292 WeakPolarHBondContact O-CA 3.41Å; R268-N292 VanDerWaalsContact O-CB 3.23Å; R268-N292 WeakPolarHBondContact O-CB 3.42Å; R269-N292 WeakPolarHBondContact CA-OD1 3.49Å; L270-N292 PolarHBondContact O-N 2.56Å; L270-N292 VanDerWaalsContact O-N 3.16Å; L290-N292 VanDerWaalsContact C-N 3.33Å; N292-V364 HydrophobicContact CB-CB 4Å; N292-V364 WeakPolarHBondContact CB-O 3.49Å; N292-V364 PolarHBondContact ND2-O 3.42Å
293Y90.5Very high79.3Confident94 Ų9455.2 Ų55.237%0.36930%0.304SS..EExtended strand (participates in β ladder)trans-153.5159.5174.569.8-75.3000110.9A267 R268 L270 Q295A267-Y293 CarbonylContact C-O 3.5Å; R268-Y293 HydrophobicContact CB-CD1 3.89Å; R268-Y293 HydrophobicContact CB-CE1 3.44Å; R268-Y293 VanDerWaalsContact CB-CE1 3.44Å; R268-Y293 HydrophobicContact CB-CE2 4.15Å; R268-Y293 HydrophobicContact CB-CG 4.42Å; R268-Y293 HydrophobicContact CG-CE1 4.44Å; R268-Y293 HydrophobicContact CG-CE2 4.37Å; R268-Y293 PolarHBondContact N-O 3.35Å; R268-Y293 PolarHBondContact O-N 2.98Å; L270-Y293 HydrophobicContact CB-CD1 3.71Å; L270-Y293 HydrophobicContact CB-CE1 4.21Å; L270-Y293 HydrophobicContact CD2-CD1 4.3Å; Y293-Q295 HydrophobicContact CD2-CB 4.17Å; Y293-Q295 HydrophobicContact CE2-CB 3.71Å; Y293-Q295 HydrophobicContact CE2-CG 4.28Å; Y293-Q295 VanDerWaalsContact CE2-OE1 3.26Å; Y293-Q295 PolarHBondContact OH-OE1 2.67Å
294C87.1Confident77.1Confident25 Ų2562.6 Ų62.617%0.16934%0.342CS..EExtended strand (participates in β ladder)trans-90130.3178.2-64.90000111.6P337 C367C294-P337 VanDerWaalsContact SG-CA 3.54Å; C294-C367 WeakPolarHBondContact CA-SG 3.37Å; C294-C367 HydrophobicContact CB-CB 3.8Å; C294-C367 WeakPolarHBondContact CB-SG 3.23Å; C294-C367 WeakPolarHBondContact SG-CB 3.39Å; C294-C367 CovalentContact SG-SG 2.03Å; C294-C367 PolarHBondContact SG-SG 2.97Å
295Q87.9Confident74.7Confident95 Ų9567 Ų6744%0.44438%0.376SS..EExtended strand (participates in β ladder)trans-150.3137.9175.8-168.5-179.87.600111.2R266 R268 Y293R266-Q295 PolarHBondContact N-O 2.77Å; R266-Q295 PolarHBondContact O-N 3.06Å; R266-Q295 VanDerWaalsContact O-N 3.11Å; R266-Q295 VanDerWaalsContact O-O 3.1Å; R268-Q295 HydrophobicContact CG-CB 3.81Å; Y293-Q295 HydrophobicContact CD2-CB 4.17Å; Y293-Q295 HydrophobicContact CE2-CB 3.71Å; Y293-Q295 HydrophobicContact CE2-CG 4.28Å; Y293-Q295 VanDerWaalsContact CE2-OE1 3.26Å; Y293-Q295 PolarHBondContact OH-OE1 2.67Å
296G83.7Confident72.1Confident21 Ų2169.2 Ų69.222%0.21640%0.399CS..SBendtrans143.4174.6174.800000110.6G263 C335G263-G296 WeakPolarHBondContact O-CA 3.14Å; G296-C335 WeakPolarHBondContact O-CB 3.45Å
297Q79.4Confident69.7Low133 Ų13374.7 Ų74.762%0.62144%0.438SS*.BIsolated β-bridgetrans-94145-179.7-67.5176.2-8.300111G263 C265G263-Q297 PolarHBondContact O-N 3.11Å; C265-Q297 PolarHBondContact N-O 3.12Å
298C76.9Confident67.6Low11 Ų1169 Ų697%0.07443%0.429CS..  trans-109.494.3172.7-69.40000108.5P333 C369C298-P333 HydrophobicContact CB-CB 4.28Å; C298-P333 HydrophobicContact CB-CG 3.85Å; C298-P333 VanDerWaalsContact CB-O 3.27Å; C298-P333 WeakPolarHBondContact CB-O 3.48Å; C298-C369 HydrophobicContact CB-CB 3.62Å; C298-C369 WeakPolarHBondContact CB-SG 3.3Å; C298-C369 VanDerWaalsContact SG-CA 3.51Å; C298-C369 WeakPolarHBondContact SG-CB 3.12Å; C298-C369 CovalentContact SG-SG 2.03Å; C298-C369 PolarHBondContact SG-SG 3.08Å
299A67.8Low65.5Low79 Ų7971.2 Ų71.265%0.65345%0.452SS*.PPolyproline II helixtrans-95.6156.9176.200000111
300L57Low63.5Low63 Ų6374.8 Ų74.833%0.3348%0.476SS..PPolyproline II helixtrans-59.2127.7167.5-16579.2000108.5V302 A320 L321 A324L300-V302 PolarHBondContact O-N 3.49Å; L300-V302 VanDerWaalsContact O-N 3.1Å; L300-A320 HydrophobicContact CB-CB 4.28Å; L300-A320 HydrophobicContact CD1-CB 3.45Å; L300-A320 VanDerWaalsContact CD1-CB 3.45Å; L300-L321 HydrophobicContact CD1-CB 4.4Å; L300-A324 HydrophobicContact CD2-CB 4.45Å
301P53.6Low61.6Low66 Ų6676.2 Ų76.243%0.42949%0.489SS..PPolyproline II helixtrans-63.7116.5173.6-13.125.9000108.4T303P301-T303 PolarHBondContact O-N 2.91Å; P301-T303 VanDerWaalsContact O-N 3.1Å
302V44.4Very low60Low147 Ų14777.6 Ų77.689%0.89150%0.5SS*.SBendtrans-62.3-16.8176.6178.70000111.4L300L300-V302 PolarHBondContact O-N 3.49Å; L300-V302 VanDerWaalsContact O-N 3.1Å
303T39.1Very low58.5Low89 Ų8978.8 Ų78.855%0.54651%0.506SS..  trans-129.8111.6174.760.60000110.5P301 S305P301-T303 PolarHBondContact O-N 2.91Å; P301-T303 VanDerWaalsContact O-N 3.1Å; T303-S305 PolarHBondContact O-N 3.41Å
304L44Very low57.3Low159 Ų15981.3 Ų81.383%0.83253%0.526SS*.THydrogen-bonded Turntrans-66.130.6162.8-63.1163.5000112.1
305S40Very low56.5Low115 Ų11585.6 Ų85.680%0.80454%0.544SS*.THydrogen-bonded Turntrans-146.75.8-171.2-53.40000114.8T303T303-S305 PolarHBondContact O-N 3.41Å
306G38.4Very low55.4Low54 Ų5481.2 Ų81.256%0.55752%0.524SS*.  trans-95.1111.317400000111.6G308G306-G308 PolarHBondContact O-N 2.99Å
307S40.3Very low54.7Low136 Ų13682.4 Ų82.495%0.95153%0.527SS*.THydrogen-bonded Turntrans-68.421.8-173.855.80000116.7
308G45.2Very low54.3Low41 Ų4180.6 Ų80.642%0.42352%0.521SS..THydrogen-bonded Turntrans-128.23.3-164.600000117.7V256 G306V256-G308 WeakPolarHBondContact CG2-O 3.37Å; G306-G308 PolarHBondContact O-N 2.99Å
309G44.6Very low54Low55 Ų5584.5 Ų84.557%0.56753%0.534SS*.SBendtrans-98.4152.5176.100000112.6
310P46.3Very low54Low83 Ų8381 Ų8154%0.53951%0.505SS..  trans-56.6134.6166.724.9-31.4000108.1A312P310-A312 PolarHBondContact O-N 3.41Å
311P48.4Very low54.7Low89 Ų8982 Ų8258%0.57851%0.51SS*.  trans-59.9111.2-175.923-32.1000108.6L313P311-L313 PolarHBondContact O-N 2.66Å
312A55.1Low55.5Low40 Ų4082.8 Ų82.833%0.33151%0.509SS..  trans-57.4130.4173.300000107.7P310 N314 V317P310-A312 PolarHBondContact O-N 3.41Å; A312-N314 PolarHBondContact O-N 3.1Å; A312-V317 HydrophobicContact CB-CG2 3.41Å; A312-V317 VanDerWaalsContact CB-CG2 3.41Å
313L59.7Low56.7Low59 Ų5978.5 Ų78.531%0.30948%0.479SS..  trans-59.1141.7173.5-71.895.2000107.9P311 H315 A316 V317 R370P311-L313 PolarHBondContact O-N 2.66Å; L313-H315 CarbonylContact O-C 3.59Å; L313-H315 PolarHBondContact O-N 2.74Å; L313-A316 WeakPolarHBondContact O-CA 3.46Å; L313-A316 WeakPolarHBondContact O-CB 3.44Å; L313-A316 PolarHBondContact O-N 3.11Å; L313-V317 PolarHBondContact O-N 3.11Å; L313-V317 VanDerWaalsContact O-N 3.09Å; L313-R370 HydrophobicContact CD1-CG 4.26Å
314N65.3Low58.2Low148 Ų14877.3 Ų77.379%0.79148%0.478SS*.Hα-helixtrans-49.1-34.6-179.2-62.6-9.3000112.3A312 L318A312-N314 PolarHBondContact O-N 3.1Å; N314-L318 WeakPolarHBondContact O-CB 3.13Å; N314-L318 PolarHBondContact O-N 2.91Å
315H68.8Low59.5Low114 Ų11474.4 Ų74.453%0.52847%0.467SS..Hα-helixtrans-68.5-38.1174.5-169-86.5000113.9L313 L318 R319L313-H315 CarbonylContact O-C 3.59Å; L313-H315 PolarHBondContact O-N 2.74Å; H315-L318 PolarHBondContact O-N 2.87Å; H315-R319 WeakPolarHBondContact O-CB 3.09Å; H315-R319 PolarHBondContact O-N 3.18Å
316A65.8Low60.9Low3 Ų371 Ų713%0.02545%0.446CS..Hα-helixtrans-67.6-38.7176.200000111.5L313 A320 P333 C369L313-A316 WeakPolarHBondContact O-CA 3.46Å; L313-A316 WeakPolarHBondContact O-CB 3.44Å; L313-A316 PolarHBondContact O-N 3.11Å; A316-A320 WeakPolarHBondContact O-CB 3.48Å; A316-A320 PolarHBondContact O-N 3.27Å; A316-P333 HydrophobicContact CB-CB 4.39Å; A316-C369 WeakPolarHBondContact CB-O 3.37Å
317V68.2Low62Low46 Ų4673.5 Ų73.528%0.27945%0.452SS..Hα-helixtrans-64.1-46.9172.9-179.20000110.7A312 L313 R319 A320 L321A312-V317 HydrophobicContact CB-CG2 3.41Å; A312-V317 VanDerWaalsContact CB-CG2 3.41Å; L313-V317 PolarHBondContact O-N 3.11Å; L313-V317 VanDerWaalsContact O-N 3.09Å; V317-R319 PolarHBondContact O-N 3.35Å; V317-A320 PolarHBondContact O-N 2.82Å; V317-L321 WeakPolarHBondContact O-CB 2.94Å; V317-L321 PolarHBondContact O-N 3.18Å
318L70.9Confident63Low96 Ų9670.7 Ų70.750%0.50345%0.445SS..Hα-helixtrans-60.6-44.7177.8-178.464.4000111.8N314 H315 L321 M322N314-L318 WeakPolarHBondContact O-CB 3.13Å; N314-L318 PolarHBondContact O-N 2.91Å; H315-L318 PolarHBondContact O-N 2.87Å; L318-L321 PolarHBondContact O-N 3.38Å; L318-M322 HydrophobicContact CD1-CG 4.4Å; L318-M322 HydrophobicContact CG-CG 4.48Å; L318-M322 WeakPolarHBondContact O-CB 3.37Å; L318-M322 VanDerWaalsContact O-CG 3.28Å; L318-M322 WeakPolarHBondContact O-CG 3.41Å; L318-M322 PolarHBondContact O-N 2.79Å
319R70.6Confident63.7Low93 Ų9372 Ų7235%0.35145%0.451SS..Hα-helixtrans-63.3-43.9179.1-160-171.6-141.6130.67.2111.8H315 V317 L321 M322 H323 A330 D331 R370H315-R319 WeakPolarHBondContact O-CB 3.09Å; H315-R319 PolarHBondContact O-N 3.18Å; V317-R319 PolarHBondContact O-N 3.35Å; R319-L321 VanDerWaalsContact C-N 3.33Å; R319-L321 PolarHBondContact O-N 3.16Å; R319-M322 PolarHBondContact O-N 2.94Å; R319-H323 WeakPolarHBondContact O-CB 2.93Å; R319-H323 PolarHBondContact O-N 3.24Å; R319-A330 HydrophobicContact CG-CB 4.02Å; R319-D331 WeakPolarHBondContact CD-O 3.44Å; R319-D331 VanDerWaalsContact CG-O 3.24Å; R319-D331 WeakPolarHBondContact CG-O 3.46Å; R319-R370 PolarHBondContact NH1-OXT 3.45Å
320A69.3Low64.6Low5 Ų570.4 Ų70.44%0.04143%0.433CS..Hα-helixtrans-64-38.4175.300000111.9L300 A316 V317 H323 A324 P333L300-A320 HydrophobicContact CB-CB 4.28Å; L300-A320 HydrophobicContact CD1-CB 3.45Å; L300-A320 VanDerWaalsContact CD1-CB 3.45Å; A316-A320 WeakPolarHBondContact O-CB 3.48Å; A316-A320 PolarHBondContact O-N 3.27Å; V317-A320 PolarHBondContact O-N 2.82Å; A320-H323 PolarHBondContact O-N 3.26Å; A320-A324 WeakPolarHBondContact O-CB 3.36Å; A320-A324 PolarHBondContact O-N 3.15Å; A320-P333 HydrophobicContact CB-CG 4.28Å
321L69.8Low65.7Low85 Ų8572.5 Ų72.545%0.44544%0.44SS..Hα-helixtrans-65.5-45.4175.4-177.566.6000111.2L300 V317 L318 R319 H323 A324 T325L300-L321 HydrophobicContact CD1-CB 4.4Å; V317-L321 WeakPolarHBondContact O-CB 2.94Å; V317-L321 PolarHBondContact O-N 3.18Å; L318-L321 PolarHBondContact O-N 3.38Å; R319-L321 VanDerWaalsContact C-N 3.33Å; R319-L321 PolarHBondContact O-N 3.16Å; L321-H323 VanDerWaalsContact C-N 3.34Å; L321-H323 PolarHBondContact O-N 2.97Å; L321-A324 WeakPolarHBondContact O-CB 3.37Å; L321-A324 PolarHBondContact O-N 3.4Å; L321-A324 VanDerWaalsContact O-N 3.1Å; L321-T325 HydrophobicContact CD1-CG2 4.37Å; L321-T325 WeakPolarHBondContact O-CG2 3.42Å; L321-T325 PolarHBondContact O-N 2.96Å; L321-T325 PolarHBondContact O-OG1 2.03Å; L321-T325 VanDerWaalsContact O-OG1 3.1Å
322M71.8Confident66.8Low81 Ų8172.2 Ų72.240%0.39943%0.433SS..Hα-helixtrans-61.5-40.9176.5-73.1-61.5-60.700112.2L318 R319 A324 T325 A326 A329 A330L318-M322 HydrophobicContact CD1-CG 4.4Å; L318-M322 HydrophobicContact CG-CG 4.48Å; L318-M322 WeakPolarHBondContact O-CB 3.37Å; L318-M322 VanDerWaalsContact O-CG 3.28Å; L318-M322 WeakPolarHBondContact O-CG 3.41Å; L318-M322 PolarHBondContact O-N 2.79Å; R319-M322 PolarHBondContact O-N 2.94Å; M322-A324 VanDerWaalsContact C-N 3.31Å; M322-A324 PolarHBondContact O-N 3.4Å; M322-T325 PolarHBondContact O-N 3.27Å; M322-T325 PolarHBondContact O-OG1 3.27Å; M322-A326 CarbonylContact O-C 3.57Å; M322-A326 PolarHBondContact O-N 3.04Å; M322-A329 HydrophobicContact CE-CB 4.48Å; M322-A330 HydrophobicContact CB-CB 3.95Å
323H69.2Low67.7Low58 Ų5870.9 Ų70.927%0.26942%0.421SS..Hα-helixtrans-64.3-36.8173.5-174.8-64.5000111.6R319 A320 L321 A330 L332R319-H323 WeakPolarHBondContact O-CB 2.93Å; R319-H323 PolarHBondContact O-N 3.24Å; A320-H323 PolarHBondContact O-N 3.26Å; L321-H323 VanDerWaalsContact C-N 3.34Å; L321-H323 PolarHBondContact O-N 2.97Å; H323-A330 WeakPolarHBondContact CB-O 3.38Å; H323-A330 PolarHBondContact CD2-O 2.88Å; H323-L332 HydrophobicContact CB-CD2 4.27Å; H323-L332 PolarHBondContact CD2-N 3.32Å; H323-L332 VanDerWaalsContact CD2-N 3.34Å
324A70.1Confident68.8Low63 Ų6372 Ų7252%0.52143%0.433SS..Hα-helixtrans-71.6-34.6178.800000112.9L300 A320 L321 M322L300-A324 HydrophobicContact CD2-CB 4.45Å; A320-A324 WeakPolarHBondContact O-CB 3.36Å; A320-A324 PolarHBondContact O-N 3.15Å; L321-A324 WeakPolarHBondContact O-CB 3.37Å; L321-A324 PolarHBondContact O-N 3.4Å; L321-A324 VanDerWaalsContact O-N 3.1Å; M322-A324 VanDerWaalsContact C-N 3.31Å; M322-A324 PolarHBondContact O-N 3.4Å
325T71.3Confident69.7Low99 Ų9966.2 Ų66.261%0.60740%0.404SS*.Hα-helixtrans-85.7-31.6-179.654.40000113.3L321 M322L321-T325 HydrophobicContact CD1-CG2 4.37Å; L321-T325 WeakPolarHBondContact O-CG2 3.42Å; L321-T325 PolarHBondContact O-N 2.96Å; L321-T325 PolarHBondContact O-OG1 2.03Å; L321-T325 VanDerWaalsContact O-OG1 3.1Å; M322-T325 PolarHBondContact O-N 3.27Å; M322-T325 PolarHBondContact O-OG1 3.27Å
326A69.1Low70.5Confident42 Ų4263 Ų6335%0.34739%0.392SS..SBendtrans-143.284.1179.400000110.4M322 G328 A329M322-A326 CarbonylContact O-C 3.57Å; M322-A326 PolarHBondContact O-N 3.04Å; A326-G328 PolarHBondContact O-N 3.28Å; A326-A329 HydrophobicContact CB-CB 3.88Å; A326-A329 PolarHBondContact O-N 2.9Å
327P62.3Low71.5Confident107 Ų10765.5 Ų65.570%0.69541%0.408SS*.BIsolated β-bridgetrans-60.9108.7176.722.7-30.6000109.5
328G60.6Low72.2Confident77 Ų7765.7 Ų65.779%0.79441%0.414SS*.THydrogen-bonded Turntrans124.3-17.3-173.700000115A326A326-G328 PolarHBondContact O-N 3.28Å
329A61.5Low72.7Confident68 Ų6865.1 Ų65.156%0.56241%0.406SS*.THydrogen-bonded Turntrans-85.3-25.617600000113.3M322 A326M322-A329 HydrophobicContact CE-CB 4.48Å; A326-A329 HydrophobicContact CB-CB 3.88Å; A326-A329 PolarHBondContact O-N 2.9Å
330A62.4Low73.3Confident23 Ų2363.3 Ų63.319%0.1940%0.402CS..BIsolated β-bridgetrans-154.2141.8176.900000110.1R319 M322 H323R319-A330 HydrophobicContact CG-CB 4.02Å; M322-A330 HydrophobicContact CB-CB 3.95Å; H323-A330 WeakPolarHBondContact CB-O 3.38Å; H323-A330 PolarHBondContact CD2-O 2.88Å
331D70.6Confident74Confident126 Ų12664.2 Ų64.267%0.67441%0.409SS*.PPolyproline II helixtrans-74.4156.2172.2-62.5-40.5000112R319R319-D331 WeakPolarHBondContact CD-O 3.44Å; R319-D331 VanDerWaalsContact CG-O 3.24Å; R319-D331 WeakPolarHBondContact CG-O 3.46Å
332L69.7Low74.7Confident84 Ų8461.9 Ų61.944%0.4440%0.399SS..PPolyproline II helixtrans-61.1147.9170.8-76170.3000110.8H323H323-L332 HydrophobicContact CB-CD2 4.27Å; H323-L332 PolarHBondContact CD2-N 3.32Å; H323-L332 VanDerWaalsContact CD2-N 3.34Å
333P74.9Confident75.3Confident12 Ų1258.6 Ų58.68%0.07838%0.383CS..PPolyproline II helixtrans-60.3145.7174.822.5-30.3000111.9C298 A316 A320 C369 R370C298-P333 HydrophobicContact CB-CB 4.28Å; C298-P333 HydrophobicContact CB-CG 3.85Å; C298-P333 VanDerWaalsContact CB-O 3.27Å; C298-P333 WeakPolarHBondContact CB-O 3.48Å; A316-P333 HydrophobicContact CB-CB 4.39Å; A320-P333 HydrophobicContact CB-CG 4.28Å; P333-C369 HydrophobicContact CB-CB 4.21Å; P333-C369 HydrophobicContact CG-CB 4.49Å; P333-R370 CarbonylContact C-O 3.45Å; P333-R370 VanDerWaalsContact CA-O 3.23Å; P333-R370 WeakPolarHBondContact CA-O 3.43Å; P333-R370 WeakPolarHBondContact CB-O 3.46Å
334C83.8Confident76.2Confident83 Ų8356 Ų5656%0.56137%0.371SS*.PPolyproline II helixtrans-91.7145.9179.9-71.90000111.2V336 C369 R370C334-V336 HydrophobicContact CB-CG1 3.95Å; C334-V336 PolarHBondContact O-N 3.29Å; C334-C369 WeakPolarHBondContact O-CA 3.28Å; C334-R370 PolarHBondContact N-O 3.24Å; C334-R370 PolarHBondContact O-N 3.45Å; C334-R370 VanDerWaalsContact O-N 3.11Å
335C84.3Confident77.2Confident25 Ų2553.3 Ų53.317%0.16935%0.348CS..EExtended strand (participates in β ladder)trans-80.2104.5171.7-1750000109.9C265 G296C265-C335 WeakPolarHBondContact CA-SG 3.34Å; C265-C335 HydrophobicContact CB-CB 3.78Å; C265-C335 WeakPolarHBondContact CB-SG 3.38Å; C265-C335 VanDerWaalsContact SG-CA 3.51Å; C265-C335 WeakPolarHBondContact SG-CB 3.38Å; C265-C335 CovalentContact SG-SG 2.04Å; C265-C335 PolarHBondContact SG-SG 2.04Å; G296-C335 WeakPolarHBondContact O-CB 3.45Å
336V85.5Confident78.2Confident47 Ų4748.6 Ų48.629%0.28532%0.319SS..EExtended strand (participates in β ladder)trans-128.6160.9-172.6-62.20000111.7C334 A338 C367 G368 R370C334-V336 HydrophobicContact CB-CG1 3.95Å; C334-V336 PolarHBondContact O-N 3.29Å; V336-A338 PolarHBondContact O-N 2.89Å; V336-C367 WeakPolarHBondContact O-CA 3.46Å; V336-G368 PolarHBondContact N-O 2.93Å; V336-G368 PolarHBondContact O-N 2.91Å; V336-G368 VanDerWaalsContact O-O 3.12Å; V336-R370 HydrophobicContact CG2-CB 3.86Å; V336-R370 HydrophobicContact CG2-CG 3.87Å
337P85.4Confident79.3Confident55 Ų5546.8 Ų46.836%0.35730%0.303SS..EExtended strand (participates in β ladder)trans-57.5128.1175.2-25.235.2000111.5C294 L340 V364C294-P337 VanDerWaalsContact SG-CA 3.54Å; P337-L340 HydrophobicContact CB-CD1 4.15Å; P337-L340 HydrophobicContact CB-CD2 3.9Å; P337-L340 HydrophobicContact CB-CG 3.97Å; P337-L340 HydrophobicContact CG-CD2 4.38Å; P337-V364 HydrophobicContact CB-CG1 4.28Å; P337-V364 HydrophobicContact CB-CG2 4.27Å; P337-V364 HydrophobicContact CG-CG1 4.47Å; P337-V364 HydrophobicContact CG-CG2 3.94Å
338A82.6Confident80.6Confident50 Ų5042.1 Ų42.141%0.41327%0.272SS..EExtended strand (participates in β ladder)trans-99.6-33.3175.400000111.7V336 E366V336-A338 PolarHBondContact O-N 2.89Å; A338-E366 HydrophobicContact CB-CB 4.41Å; A338-E366 PolarHBondContact N-O 3.48Å
339R82.6Confident81.9Confident85 Ų8539 Ų3932%0.32124%0.237SC..EExtended strand (participates in β ladder)trans-137.2133.9173.7-174.7170.970.1-170.9-0.3110.1D252 D365 E366D252-R339 IonicContact OD1-CZ 2.71Å; D252-R339 VanDerWaalsContact OD1-CZ 3.28Å; D252-R339 IonicContact OD1-NH1 2.74Å; D252-R339 PolarHBondContact OD1-NH1 3.02Å; D252-R339 IonicContact OD1-NH2 3.37Å; D252-R339 PolarHBondContact OD1-NH2 3.02Å; R339-D365 HydrophobicContact CB-CB 4.3Å; R339-D365 HydrophobicContact CG-CB 4.17Å; R339-D365 IonicContact NE-OD2 3.41Å; R339-D365 PolarHBondContact O-N 2.89Å; R339-E366 HydrophobicContact CB-CB 3.93Å; R339-E366 HydrophobicContact CB-CG 4.22Å; R339-E366 IonicContact CZ-OE1 3.1Å; R339-E366 PolarHBondContact N-O 2.97Å; R339-E366 IonicContact NE-OE1 3.61Å; R339-E366 IonicContact NH1-OE1 3.77Å; R339-E366 PolarHBondContact NH1-OE1 2.84Å; R339-E366 IonicContact NH2-OE1 2.66Å; R339-E366 PolarHBondContact NH2-OE1 3.04Å; R339-E366 PolarHBondContact O-N 2.9Å
340L83.1Confident83Confident54 Ų5440.3 Ų40.328%0.28324%0.235SC..EExtended strand (participates in β ladder)trans-123.1149.9176.2-63.7147.1000109.9P337 D361 V363 V364P337-L340 HydrophobicContact CB-CD1 4.15Å; P337-L340 HydrophobicContact CB-CD2 3.9Å; P337-L340 HydrophobicContact CB-CG 3.97Å; P337-L340 HydrophobicContact CG-CD2 4.38Å; L340-D361 HydrophobicContact CB-CB 4.3Å; L340-D361 HydrophobicContact CD1-CB 3.98Å; L340-V363 CarbonylContact C-O 3.45Å; L340-V363 WeakPolarHBondContact CA-O 3.47Å; L340-V364 HydrophobicContact CD2-CB 4.44Å; L340-V364 HydrophobicContact CD2-CG2 3.81Å
341S82.8Confident84Confident25 Ų2539.7 Ų39.718%0.17523%0.229CC..EExtended strand (participates in β ladder)trans-120.8153.7173.249.70000112.4M362 V363 D365S341-M362 PolarHBondContact O-N 3.37Å; S341-V363 PolarHBondContact N-O 3.1Å; S341-V363 PolarHBondContact O-N 2.85Å; S341-V363 WeakPolarHBondContact OG-CB 3.33Å; S341-D365 WeakPolarHBondContact CB-OD2 3.01Å; S341-D365 PolarHBondContact N-OD2 2.03Å; S341-D365 VanDerWaalsContact OG-CG 3.28Å; S341-D365 PolarHBondContact OG-OD1 2.88Å; S341-D365 PolarHBondContact OG-OD2 3.11Å
342P84.5Confident84.8Confident36 Ų3636.3 Ų36.323%0.23421%0.211CC..EExtended strand (participates in β ladder)trans-78.3163.3179.429.5-34.6000113.4Q358 Y359 E360P342-Q358 HydrophobicContact CB-CG 4.16Å; P342-Y359 CarbonylContact C-O 3.54Å; P342-Y359 WeakPolarHBondContact CA-O 3.38Å; P342-Y359 VanDerWaalsContact CB-O 3.3Å; P342-Y359 WeakPolarHBondContact CB-O 3.42Å; P342-E360 WeakPolarHBondContact CB-OE2 3.29Å
343I85.6Confident85.8Confident12 Ų1232.3 Ų32.36%0.06219%0.19CC..EExtended strand (participates in β ladder)trans-124.2152.8164.167.3175.7000110.9F289 V345 Y359 M362 V363F289-I343 HydrophobicContact CD1-CD1 3.93Å; F289-I343 HydrophobicContact CD2-CD1 4.22Å; F289-I343 HydrophobicContact CD2-CG2 3.91Å; F289-I343 HydrophobicContact CE1-CD1 3.83Å; F289-I343 HydrophobicContact CE2-CD1 4.1Å; F289-I343 HydrophobicContact CE2-CG2 4.3Å; F289-I343 HydrophobicContact CG-CD1 4.14Å; F289-I343 HydrophobicContact CG-CG2 4.37Å; F289-I343 HydrophobicContact CZ-CD1 3.93Å; I343-V345 HydrophobicContact CD1-CG2 3.93Å; I343-V345 HydrophobicContact CG1-CG2 4.14Å; I343-Y359 PolarHBondContact N-O 2.92Å; I343-Y359 PolarHBondContact O-N 3.1Å; I343-M362 HydrophobicContact CB-CB 4.49Å; I343-M362 HydrophobicContact CD1-CB 4.04Å; I343-M362 HydrophobicContact CD1-CE 4Å; I343-M362 HydrophobicContact CD1-CG 4.16Å; I343-M362 HydrophobicContact CG1-CB 3.82Å; I343-M362 HydrophobicContact CG1-CG 3.89Å; I343-M362 HydrophobicContact CG2-CB 4.1Å; I343-V363 HydrophobicContact CG2-CG2 3.58Å
344S88.1Confident86.7Confident3 Ų331.9 Ų31.92%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-99.9137.9167.7-69.30000110F66 R69 P286 R357F66-S344 WeakPolarHBondContact CE2-O 3.32Å; R69-S344 WeakPolarHBondContact CB-OG 3.02Å; P286-S344 WeakPolarHBondContact CD-O 3.5Å; S344-R357 WeakPolarHBondContact CA-O 3.35Å
345V90.4Very high87.1Confident6 Ų628.1 Ų28.14%0.03616%0.161CC..EExtended strand (participates in β ladder)trans-128.6129.9177.7-175.80000109.5V283 I343 F347 L356 R357 Y359V283-V345 HydrophobicContact CG1-CG1 3.81Å; V283-V345 HydrophobicContact CG2-CG1 4.33Å; I343-V345 HydrophobicContact CD1-CG2 3.93Å; I343-V345 HydrophobicContact CG1-CG2 4.14Å; V345-F347 HydrophobicContact CG1-CD1 4.06Å; V345-L356 WeakPolarHBondContact O-CA 3.41Å; V345-R357 PolarHBondContact N-O 3.1Å; V345-R357 PolarHBondContact O-N 3.29Å; V345-Y359 HydrophobicContact CB-CD2 4.08Å; V345-Y359 HydrophobicContact CB-CE2 3.92Å; V345-Y359 HydrophobicContact CG2-CD2 3.71Å; V345-Y359 HydrophobicContact CG2-CE2 3.96Å
346L92.7Very high87.5Confident0 Ų026.9 Ų26.90%015%0.153CC..EExtended strand (participates in β ladder)trans-107.9122.5176-177.766.9000108.9V58 M62 W63 F66 I284 A285 V354 V355 L356V58-L346 HydrophobicContact CG1-CD2 4.11Å; M62-L346 HydrophobicContact CB-CD1 4.06Å; M62-L346 HydrophobicContact CE-CD1 4.01Å; W63-L346 HydrophobicContact CD2-CD2 4.23Å; W63-L346 HydrophobicContact CE3-CD2 4.11Å; W63-L346 HydrophobicContact CH2-CD2 4.39Å; W63-L346 HydrophobicContact CZ2-CD2 4.5Å; W63-L346 HydrophobicContact CZ3-CD2 4.19Å; F66-L346 HydrophobicContact CB-CD2 4.32Å; F66-L346 HydrophobicContact CD2-CB 3.83Å; F66-L346 HydrophobicContact CE2-CB 4.32Å; F66-L346 HydrophobicContact CG-CB 4.32Å; F66-L346 HydrophobicContact CG-CD2 4.45Å; I284-L346 WeakPolarHBondContact CA-O 3.39Å; I284-L346 HydrophobicContact CB-CB 4.49Å; I284-L346 HydrophobicContact CB-CD2 4.34Å; I284-L346 HydrophobicContact CB-CG 4.15Å; I284-L346 VanDerWaalsContact CB-O 3.31Å; I284-L346 WeakPolarHBondContact CB-O 3.26Å; I284-L346 HydrophobicContact CD1-CD2 4.5Å; I284-L346 HydrophobicContact CD1-CG 3.95Å; I284-L346 HydrophobicContact CG2-CD2 4.04Å; I284-L346 HydrophobicContact CG2-CG 4.39Å; I284-L346 PolarHBondContact N-O 2.98Å; A285-L346 HydrophobicContact CB-CB 4.39Å; A285-L346 PolarHBondContact N-O 3.49Å; A285-L346 VanDerWaalsContact N-O 3.09Å; A285-L346 PolarHBondContact O-N 2.02Å; L346-V354 HydrophobicContact CD1-CG1 3.67Å; L346-V354 HydrophobicContact CG-CG1 4.48Å; L346-V355 CarbonylContact C-O 3.34Å; L346-V355 WeakPolarHBondContact CA-O 3.32Å; L346-L356 HydrophobicContact CB-CD1 4.45Å; L346-L356 HydrophobicContact CD1-CB 4.1Å
347F91.6Very high87.7Confident5 Ų525.2 Ų25.22%0.02214%0.142CC..EExtended strand (participates in β ladder)trans-153.6170.1-172.467.6-84.4000113.4L45 W282 V283 V345 V355 R357L45-F347 HydrophobicContact CD2-CE2 3.98Å; L45-F347 HydrophobicContact CD2-CZ 4.02Å; W282-F347 HydrophobicContact CE3-CB 3.71Å; W282-F347 AromaticContact CE3-CD2 3.81Å; W282-F347 HydrophobicContact CE3-CD2 3.81Å; W282-F347 AromaticContact CE3-CG 4Å; W282-F347 HydrophobicContact CE3-CG 4Å; W282-F347 HydrophobicContact CZ3-CB 3.91Å; W282-F347 AromaticContact CZ3-CD2 3.83Å; W282-F347 HydrophobicContact CZ3-CD2 3.83Å; W282-F347 AromaticContact CZ3-CG 3.88Å; W282-F347 HydrophobicContact CZ3-CG 3.88Å; W282-F347 WeakPolarHBondContact O-CA 3.37Å; W282-F347 WeakPolarHBondContact O-CB 3.33Å; V283-F347 HydrophobicContact CG2-CB 4.38Å; V345-F347 HydrophobicContact CG1-CD1 4.06Å; F347-V355 HydrophobicContact CD1-CB 4.35Å; F347-V355 HydrophobicContact CD2-CB 4.45Å; F347-V355 HydrophobicContact CE1-CB 3.95Å; F347-V355 HydrophobicContact CE1-CG1 3.81Å; F347-V355 HydrophobicContact CE2-CB 4.05Å; F347-V355 HydrophobicContact CE2-CG1 4.37Å; F347-V355 HydrophobicContact CE2-CG2 4.42Å; F347-V355 HydrophobicContact CZ-CB 3.79Å; F347-V355 HydrophobicContact CZ-CG1 3.65Å; F347-V355 HydrophobicContact CZ-CG2 4.5Å; F347-V355 PolarHBondContact N-O 3.44Å; F347-V355 PolarHBondContact O-N 2.95Å; F347-R357 HydrophobicContact CE1-CB 4.01Å
348F90.4Very high87.6Confident9 Ų924 Ų244%0.03913%0.131CC..EExtended strand (participates in β ladder)trans-96.7133.5170.1-68.5-78.9000111.2P49 A52 P53 V58 W282 I284 N353 V354P49-F348 WeakPolarHBondContact CB-O 3.37Å; P49-F348 WeakPolarHBondContact CG-O 3.13Å; A52-F348 HydrophobicContact CB-CD2 3.5Å; A52-F348 VanDerWaalsContact CB-CD2 3.5Å; A52-F348 HydrophobicContact CB-CE2 3.7Å; A52-F348 HydrophobicContact CB-CG 4.48Å; P53-F348 HydrophobicContact CG-CD1 4.02Å; P53-F348 HydrophobicContact CG-CE1 3.94Å; P53-F348 HydrophobicContact CG-CG 4.43Å; P53-F348 HydrophobicContact CG-CZ 4.29Å; V58-F348 HydrophobicContact CG2-CZ 4.07Å; W282-F348 PolarHBondContact O-N 2.84Å; I284-F348 HydrophobicContact CD1-CD2 3.76Å; I284-F348 HydrophobicContact CD1-CE2 3.57Å; I284-F348 HydrophobicContact CD1-CG 4.35Å; I284-F348 HydrophobicContact CD1-CZ 4Å; I284-F348 HydrophobicContact CG1-CD2 3.78Å; I284-F348 HydrophobicContact CG1-CE2 3.59Å; I284-F348 HydrophobicContact CG1-CZ 4.44Å; F348-N353 WeakPolarHBondContact CA-O 3.45Å; F348-V354 HydrophobicContact CD1-CG2 4.01Å; F348-V354 HydrophobicContact CE1-CG2 3.54Å; F348-V354 HydrophobicContact CZ-CG2 4.29Å
349D87.5Confident87.6Confident12 Ų1221.9 Ų21.96%0.06411%0.113CC..  trans-82.5179.417072.68.5000112.1A135 S351 D352 N353 V355A135-D349 HydrophobicContact CB-CB 4.24Å; A135-D349 WeakPolarHBondContact CB-OD2 3.44Å; D349-S351 PolarHBondContact O-N 2.82Å; D349-S351 VanDerWaalsContact O-N 3.16Å; D349-S351 VanDerWaalsContact OD1-CA 3.23Å; D349-S351 WeakPolarHBondContact OD1-CA 3.46Å; D349-S351 WeakPolarHBondContact OD1-CB 2.98Å; D349-S351 PolarHBondContact OD1-N 2.91Å; D349-D352 PolarHBondContact O-N 2.83Å; D349-D352 VanDerWaalsContact O-N 3.15Å; D349-D352 PolarHBondContact OD1-N 3.42Å; D349-D352 VanDerWaalsContact OD1-N 3.11Å; D349-N353 PolarHBondContact N-O 2.84Å; D349-N353 VanDerWaalsContact N-O 3.08Å; D349-N353 WeakPolarHBondContact OD1-CB 3.27Å; D349-N353 PolarHBondContact OD1-N 3.38Å; D349-N353 PolarHBondContact OD1-ND2 2.76Å; D349-N353 WeakPolarHBondContact OD2-CB 3.36Å; D349-N353 PolarHBondContact OD2-ND2 2.88Å; D349-V355 HydrophobicContact CB-CG2 4.06Å
350N84.7Confident87.6Confident94 Ų9419.3 Ų19.350%0.50310%0.104SC..THydrogen-bonded Turntrans-64.7-13.4176.6-71.4-35.9000114P49P49-N350 VanDerWaalsContact CA-OD1 3.24Å; P49-N350 WeakPolarHBondContact CA-OD1 3.06Å
351S84.5Confident87.5Confident11 Ų1121.1 Ų21.18%0.07711%0.114CC..THydrogen-bonded Turntrans-103.319.9178.2-67.80000111.6R108 D132 D349 N353R108-S351 PolarHBondContact NH2-O 3.09Å; D132-S351 VanDerWaalsContact CG-OG 3.31Å; D132-S351 VanDerWaalsContact OD2-CB 3.31Å; D132-S351 WeakPolarHBondContact OD2-CB 3.05Å; D132-S351 PolarHBondContact OD2-OG 2.93Å; D349-S351 PolarHBondContact O-N 2.82Å; D349-S351 VanDerWaalsContact O-N 3.16Å; D349-S351 VanDerWaalsContact OD1-CA 3.23Å; D349-S351 WeakPolarHBondContact OD1-CA 3.46Å; D349-S351 WeakPolarHBondContact OD1-CB 2.98Å; D349-S351 PolarHBondContact OD1-N 2.91Å; S351-N353 VanDerWaalsContact CB-ND2 3.35Å; S351-N353 WeakPolarHBondContact CB-ND2 2.94Å; S351-N353 PolarHBondContact O-N 3.03Å; S351-N353 PolarHBondContact O-OD1 3.34Å
352D86.6Confident87.6Confident54 Ų5421.7 Ų21.729%0.28912%0.115SC..SBendtrans54.719.5-178.6-62.4-49.8000113.9P53 R108 D349P53-D352 WeakPolarHBondContact CD-OD1 3.45Å; P53-D352 HydrophobicContact CG-CB 4.12Å; P53-D352 WeakPolarHBondContact CG-OD1 3.39Å; R108-D352 IonicContact NH2-OD2 3.67Å; D349-D352 PolarHBondContact O-N 2.83Å; D349-D352 VanDerWaalsContact O-N 3.15Å; D349-D352 PolarHBondContact OD1-N 3.42Å; D349-D352 VanDerWaalsContact OD1-N 3.11Å
353N90.5Very high87.8Confident1 Ų120.6 Ų20.61%0.00511%0.107CC..  trans-79.7144.5174.2-52.4-47.6000108.7I105 P106 D132 F348 D349 S351I105-N353 HydrophobicContact CG1-CB 4.3Å; I105-N353 WeakPolarHBondContact CG2-OD1 3.23Å; P106-N353 WeakPolarHBondContact CD-OD1 3.4Å; D132-N353 PolarHBondContact O-ND2 3.09Å; F348-N353 WeakPolarHBondContact CA-O 3.45Å; D349-N353 PolarHBondContact N-O 2.84Å; D349-N353 VanDerWaalsContact N-O 3.08Å; D349-N353 WeakPolarHBondContact OD1-CB 3.27Å; D349-N353 PolarHBondContact OD1-N 3.38Å; D349-N353 PolarHBondContact OD1-ND2 2.76Å; D349-N353 WeakPolarHBondContact OD2-CB 3.36Å; D349-N353 PolarHBondContact OD2-ND2 2.88Å; S351-N353 VanDerWaalsContact CB-ND2 3.35Å; S351-N353 WeakPolarHBondContact CB-ND2 2.94Å; S351-N353 PolarHBondContact O-N 3.03Å; S351-N353 PolarHBondContact O-OD1 3.34Å
354V93.2Very high87.8Confident2 Ų220.6 Ų20.61%0.01211%0.108CC..EExtended strand (participates in β ladder)trans-85.8123.6172.7-177.30000108.2V58 M62 R103 H104 I284 L346 F348V58-V354 HydrophobicContact CG1-CG1 4.11Å; M62-V354 HydrophobicContact CB-CG1 4.11Å; M62-V354 HydrophobicContact CE-CG1 3.92Å; M62-V354 HydrophobicContact CG-CB 4.4Å; M62-V354 HydrophobicContact CG-CG1 3.87Å; R103-V354 CarbonylContact C-O 3.6Å; R103-V354 WeakPolarHBondContact CA-O 3.41Å; H104-V354 HydrophobicContact CB-CB 4.42Å; H104-V354 PolarHBondContact N-O 2.96Å; H104-V354 PolarHBondContact O-N 3.42Å; I284-V354 HydrophobicContact CD1-CG1 4.18Å; L346-V354 HydrophobicContact CD1-CG1 3.67Å; L346-V354 HydrophobicContact CG-CG1 4.48Å; F348-V354 HydrophobicContact CD1-CG2 4.01Å; F348-V354 HydrophobicContact CE1-CG2 3.54Å; F348-V354 HydrophobicContact CZ-CG2 4.29Å
355V92.9Very high87.6Confident4 Ų422.6 Ų22.62%0.02412%0.118CC..EExtended strand (participates in β ladder)trans-120.9128.7-176.5-173.90000109.8I101 V102 R103 L346 F347 D349I101-V355 HydrophobicContact CG2-CG1 3.9Å; V102-V355 CarbonylContact O-C 3.48Å; V102-V355 WeakPolarHBondContact O-CA 3.38Å; R103-V355 HydrophobicContact CG-CG1 4.15Å; R103-V355 HydrophobicContact CG-CG2 4.04Å; L346-V355 CarbonylContact C-O 3.34Å; L346-V355 WeakPolarHBondContact CA-O 3.32Å; F347-V355 HydrophobicContact CD1-CB 4.35Å; F347-V355 HydrophobicContact CD2-CB 4.45Å; F347-V355 HydrophobicContact CE1-CB 3.95Å; F347-V355 HydrophobicContact CE1-CG1 3.81Å; F347-V355 HydrophobicContact CE2-CB 4.05Å; F347-V355 HydrophobicContact CE2-CG1 4.37Å; F347-V355 HydrophobicContact CE2-CG2 4.42Å; F347-V355 HydrophobicContact CZ-CB 3.79Å; F347-V355 HydrophobicContact CZ-CG1 3.65Å; F347-V355 HydrophobicContact CZ-CG2 4.5Å; F347-V355 PolarHBondContact N-O 3.44Å; F347-V355 PolarHBondContact O-N 2.95Å; D349-V355 HydrophobicContact CB-CG2 4.06Å
356L92.6Very high87.2Confident0 Ų024.6 Ų24.60%013%0.127CC..EExtended strand (participates in β ladder)trans-107.9119.7166.5173.265.3000107.9M62 L65 F66 I101 V102 V345 L346M62-L356 HydrophobicContact CE-CB 3.64Å; L65-L356 HydrophobicContact CB-CD2 3.49Å; L65-L356 VanDerWaalsContact CB-CD2 3.49Å; F66-L356 HydrophobicContact CB-CD1 4.12Å; F66-L356 HydrophobicContact CD2-CD1 3.81Å; F66-L356 HydrophobicContact CG-CD1 4.48Å; I101-L356 WeakPolarHBondContact CA-O 3.22Å; V102-L356 HydrophobicContact CB-CB 4.31Å; V102-L356 PolarHBondContact N-O 3.1Å; V102-L356 PolarHBondContact O-N 3.49Å; V345-L356 WeakPolarHBondContact O-CA 3.41Å; L346-L356 HydrophobicContact CB-CD1 4.45Å; L346-L356 HydrophobicContact CD1-CB 4.1Å
357R89.2Confident86.9Confident12 Ų1225.3 Ų25.35%0.04513%0.132CC..EExtended strand (participates in β ladder)trans-128.6141.3179.8-177.2159.1171.7-169.5-2.5110.9L43 G44 N100 I101 S344 V345 F347 Y359L43-R357 PolarHBondContact O-NH1 2.9Å; L43-R357 PolarHBondContact O-NH2 3.4Å; L43-R357 VanDerWaalsContact O-NH2 3.11Å; G44-R357 PolarHBondContact O-NH1 3.06Å; N100-R357 WeakPolarHBondContact O-CA 3.24Å; I101-R357 HydrophobicContact CG1-CG 4.05Å; S344-R357 WeakPolarHBondContact CA-O 3.35Å; V345-R357 PolarHBondContact N-O 3.1Å; V345-R357 PolarHBondContact O-N 3.29Å; F347-R357 HydrophobicContact CE1-CB 4.01Å; R357-Y359 HydrophobicContact CB-CE2 4.02Å; R357-Y359 WeakPolarHBondContact CD-OH 3.48Å; R357-Y359 HydrophobicContact CG-CD1 4.41Å; R357-Y359 HydrophobicContact CG-CD2 4.37Å; R357-Y359 HydrophobicContact CG-CE1 3.9Å; R357-Y359 HydrophobicContact CG-CE2 3.91Å; R357-Y359 VanDerWaalsContact NE-CE1 3.28Å
358Q83.9Confident86.4Confident28 Ų2825.7 Ų25.713%0.13114%0.137CC..EExtended strand (participates in β ladder)trans-96.4130.5171.1-172.6168-39.800109.7N100 P342 E360N100-Q358 HydrophobicContact CB-CB 4.46Å; N100-Q358 PolarHBondContact O-N 3Å; P342-Q358 HydrophobicContact CB-CG 4.16Å; Q358-E360 PolarHBondContact NE2-OE1 3.5Å
359Y83.4Confident85.9Confident7 Ų726.8 Ų26.83%0.02715%0.146CC..EExtended strand (participates in β ladder)trans-115.9114178.9-68.6-69.6000109.2L43 P342 I343 V345 R357L43-Y359 VanDerWaalsContact C-CE1 3.5Å; L43-Y359 HydrophobicContact CB-CD1 4.23Å; L43-Y359 HydrophobicContact CB-CE1 3.57Å; L43-Y359 HydrophobicContact CD2-CD1 3.32Å; L43-Y359 HydrophobicContact CD2-CD2 3.82Å; L43-Y359 HydrophobicContact CD2-CE1 3.55Å; L43-Y359 HydrophobicContact CD2-CE2 3.99Å; L43-Y359 HydrophobicContact CD2-CG 3.45Å; L43-Y359 VanDerWaalsContact CD2-CG 3.45Å; L43-Y359 HydrophobicContact CG-CD1 4.33Å; L43-Y359 HydrophobicContact CG-CE1 4.1Å; L43-Y359 WeakPolarHBondContact O-CE1 3.34Å; L43-Y359 PolarHBondContact O-OH 3.47Å; P342-Y359 CarbonylContact C-O 3.54Å; P342-Y359 WeakPolarHBondContact CA-O 3.38Å; P342-Y359 VanDerWaalsContact CB-O 3.3Å; P342-Y359 WeakPolarHBondContact CB-O 3.42Å; I343-Y359 PolarHBondContact N-O 2.92Å; I343-Y359 PolarHBondContact O-N 3.1Å; V345-Y359 HydrophobicContact CB-CD2 4.08Å; V345-Y359 HydrophobicContact CB-CE2 3.92Å; V345-Y359 HydrophobicContact CG2-CD2 3.71Å; V345-Y359 HydrophobicContact CG2-CE2 3.96Å; R357-Y359 HydrophobicContact CB-CE2 4.02Å; R357-Y359 WeakPolarHBondContact CD-OH 3.48Å; R357-Y359 HydrophobicContact CG-CD1 4.41Å; R357-Y359 HydrophobicContact CG-CD2 4.37Å; R357-Y359 HydrophobicContact CG-CE1 3.9Å; R357-Y359 HydrophobicContact CG-CE2 3.91Å; R357-Y359 VanDerWaalsContact NE-CE1 3.28Å
360E81.2Confident85.2Confident31 Ų3132.9 Ų32.915%0.14517%0.168CC..EExtended strand (participates in β ladder)trans-73.6160.1175.2-59.3-57.9138.900111.1L242 P342 Q358 M362L242-E360 WeakPolarHBondContact O-CG 3.42Å; P342-E360 WeakPolarHBondContact CB-OE2 3.29Å; Q358-E360 PolarHBondContact NE2-OE1 3.5Å; E360-M362 VanDerWaalsContact C-N 3.31Å; E360-M362 PolarHBondContact O-N 3.49Å
361D81.4Confident85.2Confident92 Ų9229.8 Ų29.849%0.49215%0.151SC..EExtended strand (participates in β ladder)trans60.730.9171.1-60.8-39.3000116L340L340-D361 HydrophobicContact CB-CB 4.3Å; L340-D361 HydrophobicContact CD1-CB 3.98Å
362M85.8Confident85.3Confident37 Ų3730.8 Ų30.818%0.18216%0.155CC..EExtended strand (participates in β ladder)trans-97.4-25-174.2-70.6-63.5-64.700114.5L39 L43 F289 S341 I343 E360L39-M362 HydrophobicContact CD1-CE 4.42Å; L43-M362 HydrophobicContact CD2-CE 3.95Å; L43-M362 HydrophobicContact CD2-SD 3.91Å; F289-M362 HydrophobicContact CE1-CE 4.4Å; F289-M362 HydrophobicContact CE2-CB 4.36Å; F289-M362 WeakPolarHBondContact CE2-O 3.45Å; F289-M362 HydrophobicContact CZ-CE 3.79Å; S341-M362 PolarHBondContact O-N 3.37Å; I343-M362 HydrophobicContact CB-CB 4.49Å; I343-M362 HydrophobicContact CD1-CB 4.04Å; I343-M362 HydrophobicContact CD1-CE 4Å; I343-M362 HydrophobicContact CD1-CG 4.16Å; I343-M362 HydrophobicContact CG1-CB 3.82Å; I343-M362 HydrophobicContact CG1-CG 3.89Å; I343-M362 HydrophobicContact CG2-CB 4.1Å; E360-M362 VanDerWaalsContact C-N 3.31Å; E360-M362 PolarHBondContact O-N 3.49Å
363V87.4Confident85.2Confident13 Ų1329.5 Ų29.58%0.07915%0.147CC..EExtended strand (participates in β ladder)trans-119.6125.3-177.2173.30000110.5F289 L290 A291 L340 S341 I343 D365F289-V363 HydrophobicContact CD2-CG2 3.7Å; F289-V363 HydrophobicContact CE2-CG2 3.92Å; L290-V363 WeakPolarHBondContact O-CG1 3.38Å; A291-V363 WeakPolarHBondContact O-CA 3.35Å; L340-V363 CarbonylContact C-O 3.45Å; L340-V363 WeakPolarHBondContact CA-O 3.47Å; S341-V363 PolarHBondContact N-O 3.1Å; S341-V363 PolarHBondContact O-N 2.85Å; S341-V363 WeakPolarHBondContact OG-CB 3.33Å; I343-V363 HydrophobicContact CG2-CG2 3.58Å; V363-D365 PolarHBondContact O-N 3.24Å
364V86.6Confident84.9Confident11 Ų1131.2 Ų31.27%0.06716%0.156CC..EExtended strand (participates in β ladder)trans-77.5111.8172.9-177.60000109.5A267 A291 N292 P337 L340A267-V364 HydrophobicContact CB-CG1 4.41Å; A291-V364 PolarHBondContact O-N 2.85Å; N292-V364 HydrophobicContact CB-CB 4Å; N292-V364 WeakPolarHBondContact CB-O 3.49Å; N292-V364 PolarHBondContact ND2-O 3.42Å; P337-V364 HydrophobicContact CB-CG1 4.28Å; P337-V364 HydrophobicContact CB-CG2 4.27Å; P337-V364 HydrophobicContact CG-CG1 4.47Å; P337-V364 HydrophobicContact CG-CG2 3.94Å; L340-V364 HydrophobicContact CD2-CB 4.44Å; L340-V364 HydrophobicContact CD2-CG2 3.81Å
365D83.3Confident84.4Confident46 Ų4633 Ų3325%0.24617%0.165CC..EExtended strand (participates in β ladder)trans-88.3-40.8173.2-67-38.5000111.2R339 S341 V363R339-D365 HydrophobicContact CB-CB 4.3Å; R339-D365 HydrophobicContact CG-CB 4.17Å; R339-D365 IonicContact NE-OD2 3.41Å; R339-D365 PolarHBondContact O-N 2.89Å; S341-D365 WeakPolarHBondContact CB-OD2 3.01Å; S341-D365 PolarHBondContact N-OD2 2.03Å; S341-D365 VanDerWaalsContact OG-CG 3.28Å; S341-D365 PolarHBondContact OG-OD1 2.88Å; S341-D365 PolarHBondContact OG-OD2 3.11Å; V363-D365 PolarHBondContact O-N 3.24Å
366E82.5Confident83.8Confident48 Ų4834.9 Ų34.922%0.22417%0.174CC..EExtended strand (participates in β ladder)trans-141.6149.1-176.7-62.6179.517800111.8A338 R339A338-E366 HydrophobicContact CB-CB 4.41Å; A338-E366 PolarHBondContact N-O 3.48Å; R339-E366 HydrophobicContact CB-CB 3.93Å; R339-E366 HydrophobicContact CB-CG 4.22Å; R339-E366 IonicContact CZ-OE1 3.1Å; R339-E366 PolarHBondContact N-O 2.97Å; R339-E366 IonicContact NE-OE1 3.61Å; R339-E366 IonicContact NH1-OE1 3.77Å; R339-E366 PolarHBondContact NH1-OE1 2.84Å; R339-E366 IonicContact NH2-OE1 2.66Å; R339-E366 PolarHBondContact NH2-OE1 3.04Å; R339-E366 PolarHBondContact O-N 2.9Å
367C84.9Confident83.2Confident15 Ų1537.4 Ų37.410%0.10119%0.186CC..EExtended strand (participates in β ladder)trans-117.7151175.5-61.50000110.7A267 C294 V336A267-C367 WeakPolarHBondContact CA-SG 3.37Å; A267-C367 PolarHBondContact N-SG 2.98Å; A267-C367 VanDerWaalsContact N-SG 3.38Å; C294-C367 WeakPolarHBondContact CA-SG 3.37Å; C294-C367 HydrophobicContact CB-CB 3.8Å; C294-C367 WeakPolarHBondContact CB-SG 3.23Å; C294-C367 WeakPolarHBondContact SG-CB 3.39Å; C294-C367 CovalentContact SG-SG 2.03Å; C294-C367 PolarHBondContact SG-SG 2.97Å; V336-C367 WeakPolarHBondContact O-CA 3.46Å
368G81.9Confident82.7Confident12 Ų1239.4 Ų39.412%0.12420%0.197CC..EExtended strand (participates in β ladder)trans-152.1171.8175.800000112.2V336V336-G368 PolarHBondContact N-O 2.93Å; V336-G368 PolarHBondContact O-N 2.91Å; V336-G368 VanDerWaalsContact O-O 3.12Å
369C79.4Confident82.6Confident33 Ų3340.3 Ų40.322%0.22320%0.203CC..EExtended strand (participates in β ladder)trans-96.5128.6-178.7-61.30000110.8C298 A316 P333 C334C298-C369 HydrophobicContact CB-CB 3.62Å; C298-C369 WeakPolarHBondContact CB-SG 3.3Å; C298-C369 VanDerWaalsContact SG-CA 3.51Å; C298-C369 WeakPolarHBondContact SG-CB 3.12Å; C298-C369 CovalentContact SG-SG 2.03Å; C298-C369 PolarHBondContact SG-SG 3.08Å; A316-C369 WeakPolarHBondContact CB-O 3.37Å; P333-C369 HydrophobicContact CB-CB 4.21Å; P333-C369 HydrophobicContact CG-CB 4.49Å; C334-C369 WeakPolarHBondContact O-CA 3.28Å
370R73.4Confident82.5Confident139 Ų13943.4 Ų43.453%0.52522%0.219SC..  trans-137.40-179-68.8-168.8176.2-152.94.5113.7L313 R319 P333 C334 V336L313-R370 HydrophobicContact CD1-CG 4.26Å; R319-R370 PolarHBondContact NH1-OXT 3.45Å; P333-R370 CarbonylContact C-O 3.45Å; P333-R370 VanDerWaalsContact CA-O 3.23Å; P333-R370 WeakPolarHBondContact CA-O 3.43Å; P333-R370 WeakPolarHBondContact CB-O 3.46Å; C334-R370 PolarHBondContact N-O 3.24Å; C334-R370 PolarHBondContact O-N 3.45Å; C334-R370 VanDerWaalsContact O-N 3.11Å; V336-R370 HydrophobicContact CG2-CB 3.86Å; V336-R370 HydrophobicContact CG2-CG 3.87Å

Retrieved 370 of 370 residues in 658.9 ms (Link to these results)