A0A060WUI6_ONCMY Loading...

Src like adaptor 2b

AlphaFold DB , UniProt , Accession A0A060WUI6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110532294, Length 259 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
1M43Very low37.4Very low252 Ų252142.3 Ų142.3100%1.24185%0.847SS**  01130-54.8-163.5-177.400106.1
2G37.3Very low36.9Very low69 Ų69140.6 Ų140.671%0.71185%0.848SS**  cis128.21001800000108.6
3S37.2Very low36.7Very low131 Ų131137.5 Ų137.592%0.91684%0.837SS**  trans79.1117.8147.6-46.50000121.6
4G34.6Very low36.4Very low76 Ų76136.4 Ų136.478%0.78483%0.831SS**  107.9126.5104.200000120
5P53.3Low36.2Very low119 Ų119139.8 Ų139.877%0.77383%0.833SS**  trans-105.6167.1177.339.6-31.6000114.2
6S34.4Very low36Very low106 Ų106136.8 Ų136.874%0.74183%0.828SS**  trans144.4135.9131.3-72.50000116.5
7K37.7Very low35.9Very low191 Ų191133.5 Ų133.583%0.8382%0.819SS**  trans54.1128.5138.7-72.9-176.3174179.80121.3
8E32.7Very low35.6Very low186 Ų186135.6 Ų135.687%0.86982%0.823SS**  -178.8161.4122.7-97.4179.3146.400107.7
9H36Very low35.6Very low169 Ų169137.5 Ų137.578%0.78283%0.827SS**  cis-156.5155-41.1-141.473.3000104.5
10Q34.4Very low35.5Very low190 Ų190133.8 Ų133.889%0.88882%0.818SS**  trans-61143.8175.7-72.4167.9-25.900111.8
11G30.6Very low35.8Very low76 Ų76136.3 Ų136.378%0.78482%0.821SS**  trans-15389.1167.800000109.7
12S31.9Very low35.6Very low122 Ų122133.6 Ų133.685%0.85381%0.805SS**  trans-63.4135167.7-178.10000110.1
13S33.6Very low35.5Very low101 Ų101139 Ų13971%0.70681%0.812SS**  -176.9120.1128.5-165.60000110.7H15S13-H15 PolarHBondContact O-N 2.96Å
14T32.3Very low35.4Very low122 Ų122140.2 Ų140.275%0.74881%0.807SS**  trans-14.9114.8160.452.30000116.7
15H33.6Very low35.6Very low187 Ų187141 Ų14187%0.86681%0.807SS**  trans-110.988.7146.5-118.4-89.3000107.3S13 A17S13-H15 PolarHBondContact O-N 2.96Å; H15-A17 PolarHBondContact O-N 3.49Å
16A33Very low34.7Very low92 Ų92143.4 Ų143.476%0.7681%0.807SS**  trans-70.684.4164.300000107.6L18A16-L18 PolarHBondContact O-N 2.93Å
17A33.9Very low34.8Very low81 Ų81143.6 Ų143.667%0.66981%0.806SS**  trans-74.995.6163.900000107.3H15 L19H15-A17 PolarHBondContact O-N 3.49Å; A17-L19 VanDerWaalsContact C-N 3.3Å; A17-L19 PolarHBondContact O-N 3.3Å
18L32.1Very low34.8Very low171 Ų171141 Ų14190%0.89581%0.806SS**  trans-64.393.4165.3-102.9144.3000108A16 G20A16-L18 PolarHBondContact O-N 2.93Å; L18-G20 PolarHBondContact O-N 2.99Å
19L34.5Very low35.1Very low172 Ų172139 Ų13990%0.90180%0.799SS**  trans-70.3100.8156.3-74.3165.3000106.9A17A17-L19 VanDerWaalsContact C-N 3.3Å; A17-L19 PolarHBondContact O-N 3.3Å
20G34.8Very low35.2Very low62 Ų62137.9 Ų137.964%0.63980%0.799SS**  trans-124.393.3166.400000107.8L18L18-G20 PolarHBondContact O-N 2.99Å
21Q40.4Very low35.5Very low188 Ų188136.1 Ų136.188%0.87979%0.79SS**  trans170.985.6152.7-97168.9-100109.7
22E38.5Very low36.1Very low194 Ų194136.7 Ų136.791%0.90778%0.783SS**  trans-13684.4132.4-93.1-175.4114.900104L24E22-L24 PolarHBondContact O-N 3.07Å
23E35.9Very low37.3Very low183 Ų183134 Ų13486%0.85576%0.764SS**  trans-63.2105.1169.1-164.7-166134.800106.2A25E23-A25 PolarHBondContact O-N 2.83Å
24L34.3Very low39.5Very low156 Ų156139.3 Ų139.382%0.81777%0.768SS**  trans-48.3112.5173-75.2157.6000108E22 E26E22-L24 PolarHBondContact O-N 3.07Å; L24-E26 PolarHBondContact O-N 3.43Å
25A38.9Very low42.3Very low94 Ų94138.1 Ų138.178%0.77775%0.751SS**  trans-46.9111.5167.400000107.9E23E23-A25 PolarHBondContact O-N 2.83Å
26E34.9Very low45.1Very low169 Ų169131 Ų13179%0.7972%0.72SS**  trans-52.2129.4171.3-70.7-165.2152.100107.2L24 V28L24-E26 PolarHBondContact O-N 3.43Å; E26-V28 PolarHBondContact O-N 3.49Å
27P37.2Very low48.1Very low109 Ų109127 Ų12771%0.70869%0.687SS**  trans-60.9118.2177.625.3-30.9000106.6I29P27-I29 PolarHBondContact O-N 3.01Å
28V36.4Very low51Low137 Ų137123.2 Ų123.283%0.8366%0.655SS**  trans-5398.1158.6179.60000104.9E26 L30E26-V28 PolarHBondContact O-N 3.49Å; V28-L30 PolarHBondContact O-N 3.1Å
29I38.9Very low54.1Low143 Ų143115.1 Ų115.173%0.73361%0.612SS**  trans-66.790.5169.8-58.1178.5000103.7P27 E31P27-I29 PolarHBondContact O-N 3.01Å; I29-E31 PolarHBondContact O-N 2.89Å; I29-E31 VanDerWaalsContact O-N 3.17Å
30L39.8Very low57Low146 Ų146107.1 Ų107.176%0.76457%0.571SS**  trans-31.8121.9158.1-179.772.5000106.3V28 S32V28-L30 PolarHBondContact O-N 3.1Å; L30-S32 WeakPolarHBondContact O-CA 3.39Å; L30-S32 PolarHBondContact O-N 3.03Å
31E40.2Very low59.8Low153 Ų153108.4 Ų108.472%0.71556%0.557SS**  trans-46.298176-80.3-151.2128.700108.1I29 S33 R34I29-E31 PolarHBondContact O-N 2.89Å; I29-E31 VanDerWaalsContact O-N 3.17Å; E31-S33 PolarHBondContact O-N 2.87Å; E31-R34 IonicContact OE1-NH2 3.58Å
32S43.2Very low62.3Low89 Ų89102 Ų10262%0.62253%0.529SS*.  trans-60.7113.1-177.61800000103.5L30 R34L30-S32 WeakPolarHBondContact O-CA 3.39Å; L30-S32 PolarHBondContact O-N 3.03Å; S32-R34 PolarHBondContact O-N 3.33Å
33S57.5Low64.9Low65 Ų6595.4 Ų95.446%0.45550%0.496SS..  trans-40.4106.2-173-77.90000108.4E31 Y35E31-S33 PolarHBondContact O-N 2.87Å; S33-Y35 VanDerWaalsContact C-N 3.27Å; S33-Y35 PolarHBondContact O-N 2.8Å
34R78.6Confident67.4Low212 Ų21289.4 Ų89.480%0.847%0.473SS*.  trans-66.593.3-172.3-64.7-168-157.8-173.27.5107.3E31 S32E31-R34 IonicContact OE1-NH2 3.58Å; S32-R34 PolarHBondContact O-N 3.33Å
35Y90.8Very high69.8Low98 Ų9887 Ų8738%0.38447%0.465SS..  trans-81.7152.8173.764.6-91000109.2S33 V37 R89 V90 Y91S33-Y35 VanDerWaalsContact C-N 3.27Å; S33-Y35 PolarHBondContact O-N 2.8Å; Y35-V37 HydrophobicContact CD2-CG2 3.86Å; Y35-V37 HydrophobicContact CE2-CG2 3.57Å; Y35-R89 HydrophobicContact CD2-CB 3.91Å; Y35-R89 HydrophobicContact CD2-CG 3.73Å; Y35-R89 HydrophobicContact CE2-CG 3.87Å; Y35-R89 HydrophobicContact CG-CB 4.28Å; Y35-R89 HydrophobicContact CG-CG 4.4Å; Y35-V90 VanDerWaalsContact CA-O 3.3Å; Y35-V90 WeakPolarHBondContact CA-O 3.46Å; Y35-Y91 HydrophobicContact CD1-CE1 4.01Å; Y35-Y91 HydrophobicContact CG-CE1 4.17Å
36V93.8Very high71.7Confident37 Ų3785 Ų8522%0.22445%0.453CS..EExtended strand (participates in β ladder)trans-105.9147.6165.8-61.20000108.9V38 R89 V90 I193V36-V38 HydrophobicContact CG2-CG2 4.35Å; V36-R89 CarbonylContact O-C 3.5Å; V36-R89 WeakPolarHBondContact O-CA 3.45Å; V36-V90 HydrophobicContact CG2-CB 3.74Å; V36-V90 HydrophobicContact CG2-CG2 4.34Å; V36-V90 PolarHBondContact N-O 3.11Å; V36-V90 PolarHBondContact O-N 3.41Å; V36-I193 HydrophobicContact CG2-CD1 3.98Å
37V95.4Very high73.5Confident9 Ų983 Ų836%0.05544%0.444CS..EExtended strand (participates in β ladder)trans-99130.4174.7-172.10000108.4Y35 R58 I59 V61 T87 A88Y35-V37 HydrophobicContact CD2-CG2 3.86Å; Y35-V37 HydrophobicContact CE2-CG2 3.57Å; V37-R58 WeakPolarHBondContact O-CA 3.5Å; V37-I59 HydrophobicContact CB-CG1 3.87Å; V37-I59 HydrophobicContact CG1-CD1 3.69Å; V37-I59 HydrophobicContact CG1-CG1 3.57Å; V37-I59 PolarHBondContact O-N 3.15Å; V37-V61 HydrophobicContact CB-CG2 4.13Å; V37-V61 HydrophobicContact CG1-CG2 4.16Å; V37-V61 HydrophobicContact CG2-CG2 3.82Å; V37-T87 HydrophobicContact CG1-CG2 4.24Å; V37-A88 WeakPolarHBondContact CA-O 3.35Å
38V95.9Very high75.2Confident0 Ų081 Ų810%043%0.431CS..EExtended strand (participates in β ladder)trans-118.2135.4-179.2179.10000109.4V36 L40 E57 T87 A88 V90 I193V36-V38 HydrophobicContact CG2-CG2 4.35Å; V38-L40 PolarHBondContact O-N 2.79Å; V38-E57 CarbonylContact C-O 3.45Å; V38-E57 WeakPolarHBondContact CA-O 3.38Å; V38-T87 CarbonylContact O-C 3.52Å; V38-T87 WeakPolarHBondContact O-CA 3.12Å; V38-A88 PolarHBondContact N-O 2.83Å; V38-A88 PolarHBondContact O-N 2.87Å; V38-V90 HydrophobicContact CB-CG2 4.23Å; V38-V90 HydrophobicContact CG2-CG2 3.59Å; V38-I193 HydrophobicContact CG2-CB 4.47Å; V38-I193 HydrophobicContact CG2-CD1 3.69Å; V38-I193 HydrophobicContact CG2-CG1 3.92Å; V38-I193 HydrophobicContact CG2-CG2 3.7Å
39A95.8Very high77.2Confident1 Ų178.2 Ų78.21%0.00842%0.422CS..EExtended strand (participates in β ladder)trans-71.9124.6171.800000110.2I53 G56 E57 I59A39-I53 HydrophobicContact CB-CG2 3.36Å; A39-G56 PolarHBondContact O-N 3.46Å; A39-E57 PolarHBondContact N-O 3.41Å; A39-I59 HydrophobicContact CB-CG2 4.01Å
40L95.6Very high79.1Confident5 Ų576.3 Ų76.33%0.02641%0.413CS..  trans-78.8-45.7174.8-61.3-177000109.8V38 A55 Y86 A88 L99 K103 L107V38-L40 PolarHBondContact O-N 2.79Å; L40-A55 WeakPolarHBondContact O-CB 3.18Å; L40-Y86 WeakPolarHBondContact CB-O 3.46Å; L40-Y86 PolarHBondContact N-O 3Å; L40-A88 HydrophobicContact CD1-CB 4.2Å; L40-A88 HydrophobicContact CD2-CB 3.67Å; L40-A88 HydrophobicContact CG-CB 4.1Å; L40-L99 HydrophobicContact CD2-CD1 3.49Å; L40-L99 VanDerWaalsContact CD2-CD1 3.49Å; L40-K103 VanDerWaalsContact C-CE 3.45Å; L40-K103 HydrophobicContact CB-CD 4.42Å; L40-K103 HydrophobicContact CB-CG 4.2Å; L40-K103 HydrophobicContact CD2-CG 4.16Å; L40-K103 WeakPolarHBondContact O-CE 3.31Å; L40-K103 PolarHBondContact O-NZ 2.7Å; L40-L107 HydrophobicContact CD2-CD1 4.11Å
41Y94Very high81.3Confident88 Ų8869.9 Ų69.935%0.34538%0.381SS..SBendtrans-111.9157.8-173.9-52.3-88.4000111.9Y86 K103Y41-Y86 AromaticContact CD2-CD1 3.81Å; Y41-Y86 HydrophobicContact CD2-CD1 3.81Å; Y41-Y86 AromaticContact CD2-CD2 3.83Å; Y41-Y86 HydrophobicContact CD2-CD2 3.83Å; Y41-Y86 HydrophobicContact CD2-CE1 4.16Å; Y41-Y86 HydrophobicContact CD2-CE2 4.19Å; Y41-Y86 AromaticContact CD2-CG 3.61Å; Y41-Y86 HydrophobicContact CD2-CG 3.61Å; Y41-Y86 HydrophobicContact CE2-CD2 4.19Å; Y41-Y86 HydrophobicContact CE2-CG 4.37Å; Y41-Y86 HydrophobicContact CG-CD1 4.11Å; Y41-Y86 HydrophobicContact CG-CE1 4.18Å; Y41-Y86 HydrophobicContact CG-CG 4.38Å; Y41-K103 HydrophobicContact CD1-CD 4.41Å; Y41-K103 HydrophobicContact CE1-CD 3.88Å
42N93.5Very high83.5Confident53 Ų5363.7 Ų63.728%0.28336%0.355SS..  trans-67.7136.6165.8-65.6-21.3000108.9I53 R54 A55N42-I53 CarbonylContact C-O 3.52Å; N42-I53 VanDerWaalsContact CA-O 3.32Å; N42-I53 WeakPolarHBondContact CA-O 3.44Å; N42-R54 WeakPolarHBondContact OD1-CA 3.41Å; N42-A55 PolarHBondContact OD1-N 3.04Å
43Y91.5Very high85.8Confident56 Ų5659.5 Ų59.522%0.2233%0.325CS..BIsolated β-bridgetrans-136.6137.5177.9-169.1-91.9000111.7S51 S52 I53 Y81 I82 Y86Y43-S51 CarbonylContact O-C 3.59Å; Y43-S51 WeakPolarHBondContact O-CA 3.34Å; Y43-S51 WeakPolarHBondContact O-CB 3.25Å; Y43-S52 PolarHBondContact O-N 2.63Å; Y43-S52 PolarHBondContact O-OG 2.95Å; Y43-I53 PolarHBondContact N-O 3.41Å; Y43-I53 PolarHBondContact O-N 3.45Å; Y43-Y81 WeakPolarHBondContact CE1-O 3.23Å; Y43-Y81 PolarHBondContact OH-O 3.13Å; Y43-I82 HydrophobicContact CD1-CG2 3.44Å; Y43-I82 VanDerWaalsContact CD1-CG2 3.44Å; Y43-I82 HydrophobicContact CD2-CG2 4.08Å; Y43-I82 HydrophobicContact CE1-CG2 3.81Å; Y43-I82 HydrophobicContact CE2-CG2 4.41Å; Y43-I82 HydrophobicContact CG-CG2 3.56Å; Y43-Y86 HydrophobicContact CD2-CD1 4.3Å; Y43-Y86 HydrophobicContact CD2-CE1 4.23Å
44P90Very high87.5Confident58 Ų5862.1 Ų62.138%0.37733%0.325SS..SBendcis-59.8151.5-9.526-35.1000112.3G46 S51P44-G46 PolarHBondContact O-N 3.37Å; P44-S51 PolarHBondContact O-OG 2.93Å
45T83.2Confident88.2Confident105 Ų10552.9 Ų52.964%0.64429%0.294SS*.SBendtrans-63.5122.8-179.9-500000109.2
46G78.9Confident88.4Confident52 Ų5248.5 Ų48.554%0.53628%0.278SS..SBendtrans162.7-143.1-174.200000112.2P44P44-G46 PolarHBondContact O-N 3.37Å
47H73.8Confident88.4Confident126 Ų12646.8 Ų46.858%0.58327%0.268SS*.  trans-73.5124.5-179.3-168-81.6000110.5A49 N50H47-A49 VanDerWaalsContact ND1-CB 3.29Å; H47-A49 WeakPolarHBondContact ND1-CB 3.13Å; H47-A49 PolarHBondContact ND1-N 3.42Å; H47-A49 PolarHBondContact O-N 3.03Å; H47-N50 PolarHBondContact O-N 2.97Å; H47-N50 PolarHBondContact O-OD1 3.27Å
48P72.8Confident88.4Confident69 Ų6949.6 Ų49.645%0.44828%0.278SS..THydrogen-bonded Turntrans-57-22.2-172.922-33.7000114.7N50P48-N50 VanDerWaalsContact C-N 3.32Å
49A77.5Confident88.4Confident78 Ų7849.7 Ų49.765%0.64528%0.278SS*.THydrogen-bonded Turntrans-71.1-21.417500000114.5H47H47-A49 VanDerWaalsContact ND1-CB 3.29Å; H47-A49 WeakPolarHBondContact ND1-CB 3.13Å; H47-A49 PolarHBondContact ND1-N 3.42Å; H47-A49 PolarHBondContact O-N 3.03Å
50N80.6Confident88.3Confident102 Ų10252.5 Ų52.555%0.54529%0.293SS..THydrogen-bonded Turntrans-101.3-4.8179.877.16.9000113.5H47 P48H47-N50 PolarHBondContact O-N 2.97Å; H47-N50 PolarHBondContact O-OD1 3.27Å; P48-N50 VanDerWaalsContact C-N 3.32Å
51S84.1Confident88.2Confident11 Ų1154.8 Ų54.88%0.07731%0.307CS..  trans-75.2126.8-177.3-53.20000110.8Y43 P44 I53Y43-S51 CarbonylContact O-C 3.59Å; Y43-S51 WeakPolarHBondContact O-CA 3.34Å; Y43-S51 WeakPolarHBondContact O-CB 3.25Å; P44-S51 PolarHBondContact O-OG 2.93Å; S51-I53 VanDerWaalsContact C-N 3.3Å; S51-I53 WeakPolarHBondContact CB-O 3.46Å
52S87Confident88.2Confident24 Ų2454.3 Ų54.317%0.16831%0.31CS..SBendtrans-71.7-28175.156.80000112.2Y43 T76 S80Y43-S52 PolarHBondContact O-N 2.63Å; Y43-S52 PolarHBondContact O-OG 2.95Å; S52-T76 PolarHBondContact O-OG1 3.12Å; S52-S80 PolarHBondContact OG-OG 2.86Å
53I92Very high88.2Confident1 Ų153.5 Ų53.51%0.00531%0.309CS..BIsolated β-bridgetrans-123.2131.9177.3-63.2167000108.3A39 N42 Y43 S51 I59 V71 I82A39-I53 HydrophobicContact CB-CG2 3.36Å; N42-I53 CarbonylContact C-O 3.52Å; N42-I53 VanDerWaalsContact CA-O 3.32Å; N42-I53 WeakPolarHBondContact CA-O 3.44Å; Y43-I53 PolarHBondContact N-O 3.41Å; Y43-I53 PolarHBondContact O-N 3.45Å; S51-I53 VanDerWaalsContact C-N 3.3Å; S51-I53 WeakPolarHBondContact CB-O 3.46Å; I53-I59 HydrophobicContact CG2-CG2 3.98Å; I53-V71 HydrophobicContact CD1-CG2 3.55Å; I53-I82 HydrophobicContact CD1-CD1 4.48Å; I53-I82 HydrophobicContact CD1-CG2 3.73Å
54R92.9Very high88.2Confident119 Ų11955.7 Ų55.745%0.44932%0.324SS..  trans-104.4147.3178-64.9-178.2178.6-179.31.4111.9N42 G56 E57N42-R54 WeakPolarHBondContact OD1-CA 3.41Å; R54-G56 PolarHBondContact O-N 2.81Å; R54-E57 PolarHBondContact N-OE2 2.91Å; R54-E57 WeakPolarHBondContact O-CB 3.17Å; R54-E57 PolarHBondContact O-N 3.2Å; R54-E57 VanDerWaalsContact O-N 3.15Å
55A94.2Very high88.1Confident19 Ų1960.6 Ų60.616%0.15734%0.342CS..THydrogen-bonded Turntrans-57.6132.7170.500000110.7L40 N42 E57 L107L40-A55 WeakPolarHBondContact O-CB 3.18Å; N42-A55 PolarHBondContact OD1-N 3.04Å; A55-E57 VanDerWaalsContact C-N 3.35Å; A55-L107 HydrophobicContact CB-CD2 4.44Å
56G94.3Very high88.3Confident5 Ų558.4 Ų58.45%0.05234%0.34CS..THydrogen-bonded Turntrans83.86.7-176.300000114.3A39 R54 I193 Q194A39-G56 PolarHBondContact O-N 3.46Å; R54-G56 PolarHBondContact O-N 2.81Å; G56-I193 WeakPolarHBondContact O-CA 3.47Å; G56-Q194 PolarHBondContact O-N 2.75Å
57E94.3Very high89Confident1 Ų163 Ų631%0.00535%0.348CS..BIsolated β-bridgetrans-92.6142.9177.2-161.8-165.5142.600112.5V38 A39 R54 A55 S73 S74 A75 Q194V38-E57 CarbonylContact C-O 3.45Å; V38-E57 WeakPolarHBondContact CA-O 3.38Å; A39-E57 PolarHBondContact N-O 3.41Å; R54-E57 PolarHBondContact N-OE2 2.91Å; R54-E57 WeakPolarHBondContact O-CB 3.17Å; R54-E57 PolarHBondContact O-N 3.2Å; R54-E57 VanDerWaalsContact O-N 3.15Å; A55-E57 VanDerWaalsContact C-N 3.35Å; E57-S73 WeakPolarHBondContact OE1-CA 3.33Å; E57-S73 VanDerWaalsContact OE1-CB 3.31Å; E57-S73 WeakPolarHBondContact OE1-CB 3.33Å; E57-S73 PolarHBondContact OE1-OG 3.24Å; E57-S74 PolarHBondContact OE1-N 2.92Å; E57-S74 VanDerWaalsContact OE1-N 3.12Å; E57-A75 VanDerWaalsContact CD-CB 3.41Å; E57-A75 HydrophobicContact CG-CB 3.91Å; E57-A75 WeakPolarHBondContact OE1-CB 3.49Å; E57-A75 PolarHBondContact OE1-N 3.49Å; E57-Q194 HydrophobicContact CB-CB 4.33Å; E57-Q194 HydrophobicContact CG-CB 4.15Å; E57-Q194 HydrophobicContact CG-CG 4.24Å
58R94.8Very high90Very high68 Ų6863.5 Ų63.526%0.25735%0.345SS..EExtended strand (participates in β ladder)trans-67.8131.4168.6-176.3-177.7176.4168.72.7110.4V37 S74 I193 Q194V37-R58 WeakPolarHBondContact O-CA 3.5Å; R58-S74 WeakPolarHBondContact O-CB 3.19Å; R58-S74 PolarHBondContact O-N 3.3Å; R58-S74 PolarHBondContact O-OG 2.79Å; R58-I193 HydrophobicContact CB-CG2 3.83Å; R58-Q194 WeakPolarHBondContact CB-O 3.49Å; R58-Q194 PolarHBondContact N-O 3.16Å
59I94.9Very high91.1Very high2 Ų261.3 Ų61.31%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-118.8141.6173.260178.5000110V37 A39 I53 V71 I82 T87V37-I59 HydrophobicContact CB-CG1 3.87Å; V37-I59 HydrophobicContact CG1-CD1 3.69Å; V37-I59 HydrophobicContact CG1-CG1 3.57Å; V37-I59 PolarHBondContact O-N 3.15Å; A39-I59 HydrophobicContact CB-CG2 4.01Å; I53-I59 HydrophobicContact CG2-CG2 3.98Å; I59-V71 HydrophobicContact CB-CB 4.38Å; I59-V71 HydrophobicContact CD1-CB 4.42Å; I59-V71 HydrophobicContact CD1-CG1 4.19Å; I59-V71 HydrophobicContact CD1-CG2 4.5Å; I59-I82 HydrophobicContact CD1-CD1 3.77Å; I59-T87 HydrophobicContact CD1-CG2 3.47Å; I59-T87 VanDerWaalsContact CD1-CG2 3.47Å
60N94.4Very high91.9Very high61 Ų6160.5 Ų60.533%0.32631%0.309SS..EExtended strand (participates in β ladder)trans-96.9119.6172.2-61.9-47.4000108L62 V71 R72 S74N60-L62 PolarHBondContact O-N 3.24Å; N60-V71 CarbonylContact O-C 3.57Å; N60-V71 WeakPolarHBondContact O-CA 3.16Å; N60-R72 HydrophobicContact CB-CB 4.44Å; N60-R72 PolarHBondContact N-O 2.72Å; N60-R72 PolarHBondContact O-N 2.85Å; N60-S74 PolarHBondContact ND2-OG 2.86Å
61V94.3Very high92.6Very high53 Ų5355.6 Ų55.632%0.32128%0.283SS..EExtended strand (participates in β ladder)trans-78.3122.6178.6-1750000108.5V37 D64 W69 V71V37-V61 HydrophobicContact CB-CG2 4.13Å; V37-V61 HydrophobicContact CG1-CG2 4.16Å; V37-V61 HydrophobicContact CG2-CG2 3.82Å; V61-D64 HydrophobicContact CG1-CB 3.89Å; V61-W69 HydrophobicContact CG1-CD2 4.48Å; V61-W69 HydrophobicContact CG1-CE3 4.13Å; V61-W69 HydrophobicContact CG2-CE3 3.99Å; V61-W69 HydrophobicContact CG2-CZ3 4.17Å; V61-V71 HydrophobicContact CG2-CG1 4.37Å
62L94.3Very high93.1Very high78 Ų7860.1 Ų60.141%0.40830%0.299SS..EExtended strand (participates in β ladder)trans-96.5-32.7177.9-57.1-179.9000111.4N60 K70 R72 E79N60-L62 PolarHBondContact O-N 3.24Å; L62-K70 WeakPolarHBondContact CA-O 3.22Å; L62-K70 HydrophobicContact CB-CB 4.4Å; L62-K70 HydrophobicContact CB-CD 4.44Å; L62-K70 HydrophobicContact CB-CG 4.43Å; L62-K70 WeakPolarHBondContact CB-O 3.19Å; L62-K70 HydrophobicContact CD1-CD 4.3Å; L62-K70 HydrophobicContact CD1-CG 4.38Å; L62-K70 PolarHBondContact N-O 3.15Å; L62-R72 HydrophobicContact CD1-CB 4.18Å; L62-R72 HydrophobicContact CD2-CB 4.42Å; L62-R72 HydrophobicContact CG-CB 4.32Å; L62-E79 HydrophobicContact CD1-CG 3.93Å
63S93.1Very high93.5Very high36 Ų3659 Ų5925%0.25229%0.291SS..EExtended strand (participates in β ladder)trans-151.7129173.1172.30000108.6W69 K70S63-W69 CarbonylContact O-C 3.59Å; S63-W69 VanDerWaalsContact O-CA 3.3Å; S63-W69 WeakPolarHBondContact O-CA 3.32Å; S63-W69 WeakPolarHBondContact O-CB 3.4Å; S63-K70 PolarHBondContact N-O 2.87Å; S63-K70 VanDerWaalsContact N-O 3.16Å; S63-K70 PolarHBondContact O-N 3.18Å
64D90.8Very high93.4Very high101 Ų10159.8 Ų59.854%0.5430%0.297SS..  trans-108.718.1-179.463.5-27.5000113V61 G66 W69V61-D64 HydrophobicContact CG1-CB 3.89Å; D64-G66 PolarHBondContact O-N 3Å; D64-G66 VanDerWaalsContact O-N 3.16Å; D64-W69 VanDerWaalsContact CA-CD1 3.5Å; D64-W69 HydrophobicContact CB-CD2 4.1Å; D64-W69 HydrophobicContact CB-CG 4.41Å; D64-W69 HydrophobicContact CB-CZ2 4.06Å; D64-W69 PolarHBondContact O-NE1 3.43Å
65E88.1Confident93.2Very high161 Ų16156.4 Ų56.475%0.75229%0.294SS*.  trans-73.1107.6-176.2-64.7176.7-152.200111.5
66G88.3Confident92.8Very high59 Ų5958.8 Ų58.861%0.60831%0.307SS*.THydrogen-bonded Turntrans83.9-153.8174.400000114.4D64 W69D64-G66 PolarHBondContact O-N 3Å; D64-G66 VanDerWaalsContact O-N 3.16Å; G66-W69 PolarHBondContact O-NE1 3.25Å; G66-W69 VanDerWaalsContact O-NE1 3.13Å
67E92.4Very high92.6Very high150 Ų15060.6 Ų60.670%0.70133%0.325SS*.THydrogen-bonded Turntrans-78.7-19.5-176.1-64.3-172.7142.500113.4P83 S84E67-P83 CarbonylContact O-C 3.56Å; E67-P83 WeakPolarHBondContact O-CA 3.48Å; E67-S84 PolarHBondContact O-N 3.41Å
68W94.3Very high92.3Very high135 Ų13564.6 Ų64.651%0.51135%0.346SS..EExtended strand (participates in β ladder)trans-116.9113.5-175.6-71.785.3000110.2I82 P83W68-I82 CarbonylContact C-O 3.58Å; W68-I82 WeakPolarHBondContact CA-O 3.25Å; W68-P83 HydrophobicContact CE3-CG 4.18Å; W68-P83 HydrophobicContact CH2-CG 3.82Å; W68-P83 HydrophobicContact CZ2-CG 4.2Å; W68-P83 HydrophobicContact CZ3-CG 3.8Å
69W95.8Very high92.3Very high24 Ų2465.2 Ų65.29%0.09135%0.352CS..EExtended strand (participates in β ladder)trans-97.1137.8-177.2-67.10.7000110.7V61 S63 D64 G66 V71 Y81 I82 T87V61-W69 HydrophobicContact CG1-CD2 4.48Å; V61-W69 HydrophobicContact CG1-CE3 4.13Å; V61-W69 HydrophobicContact CG2-CE3 3.99Å; V61-W69 HydrophobicContact CG2-CZ3 4.17Å; S63-W69 CarbonylContact O-C 3.59Å; S63-W69 VanDerWaalsContact O-CA 3.3Å; S63-W69 WeakPolarHBondContact O-CA 3.32Å; S63-W69 WeakPolarHBondContact O-CB 3.4Å; D64-W69 VanDerWaalsContact CA-CD1 3.5Å; D64-W69 HydrophobicContact CB-CD2 4.1Å; D64-W69 HydrophobicContact CB-CG 4.41Å; D64-W69 HydrophobicContact CB-CZ2 4.06Å; D64-W69 PolarHBondContact O-NE1 3.43Å; G66-W69 PolarHBondContact O-NE1 3.25Å; G66-W69 VanDerWaalsContact O-NE1 3.13Å; W69-V71 HydrophobicContact CB-CG1 3.96Å; W69-Y81 WeakPolarHBondContact O-CA 3.28Å; W69-I82 PolarHBondContact N-O 3.01Å; W69-I82 PolarHBondContact O-N 3.48Å; W69-T87 HydrophobicContact CE3-CG2 4.38Å
70K95.3Very high92.2Very high60 Ų6066.1 Ų66.126%0.26136%0.359SS..EExtended strand (participates in β ladder)trans-83.3119.2166.6-164-173.5-174.7-165.30108L62 S63 E79 Y81L62-K70 WeakPolarHBondContact CA-O 3.22Å; L62-K70 HydrophobicContact CB-CB 4.4Å; L62-K70 HydrophobicContact CB-CD 4.44Å; L62-K70 HydrophobicContact CB-CG 4.43Å; L62-K70 WeakPolarHBondContact CB-O 3.19Å; L62-K70 HydrophobicContact CD1-CD 4.3Å; L62-K70 HydrophobicContact CD1-CG 4.38Å; L62-K70 PolarHBondContact N-O 3.15Å; S63-K70 PolarHBondContact N-O 2.87Å; S63-K70 VanDerWaalsContact N-O 3.16Å; S63-K70 PolarHBondContact O-N 3.18Å; K70-E79 WeakPolarHBondContact CE-OE2 3.29Å; K70-E79 IonicContact NZ-OE2 2.78Å; K70-E79 PolarHBondContact NZ-OE2 3.32Å; K70-Y81 HydrophobicContact CB-CD1 4.03Å; K70-Y81 HydrophobicContact CB-CE1 3.63Å; K70-Y81 HydrophobicContact CD-CE1 4.33Å; K70-Y81 HydrophobicContact CD-CE2 4.24Å; K70-Y81 WeakPolarHBondContact CD-OH 3.4Å; K70-Y81 HydrophobicContact CG-CD1 4.34Å; K70-Y81 HydrophobicContact CG-CD2 4.46Å; K70-Y81 HydrophobicContact CG-CE1 3.87Å; K70-Y81 HydrophobicContact CG-CE2 3.98Å
71V95.9Very high92.2Very high0 Ų069.7 Ų69.70%037%0.369CS..EExtended strand (participates in β ladder)trans-129.4157.8-176.5-53.70000111.5I53 I59 N60 V61 W69 E79 S80 I82I53-V71 HydrophobicContact CD1-CG2 3.55Å; I59-V71 HydrophobicContact CB-CB 4.38Å; I59-V71 HydrophobicContact CD1-CB 4.42Å; I59-V71 HydrophobicContact CD1-CG1 4.19Å; I59-V71 HydrophobicContact CD1-CG2 4.5Å; N60-V71 CarbonylContact O-C 3.57Å; N60-V71 WeakPolarHBondContact O-CA 3.16Å; V61-V71 HydrophobicContact CG2-CG1 4.37Å; W69-V71 HydrophobicContact CB-CG1 3.96Å; V71-E79 CarbonylContact O-C 3.53Å; V71-E79 VanDerWaalsContact O-CA 3.28Å; V71-E79 WeakPolarHBondContact O-CA 3.21Å; V71-S80 PolarHBondContact N-O 3.44Å; V71-S80 PolarHBondContact O-N 2.86Å; V71-I82 HydrophobicContact CG1-CD1 4.13Å; V71-I82 HydrophobicContact CG1-CG1 4.03Å; V71-I82 HydrophobicContact CG2-CD1 3.74Å; V71-I82 HydrophobicContact CG2-CG1 3.82Å; V71-I82 HydrophobicContact CG2-CG2 4.31Å
72R94.9Very high92.2Very high105 Ų10567.3 Ų67.340%0.39635%0.354SS..EExtended strand (participates in β ladder)trans-119124.8172.3-173.6-179.6-71.1172.2-4.2110.2N60 L62 S74 G77 N78 E79N60-R72 HydrophobicContact CB-CB 4.44Å; N60-R72 PolarHBondContact N-O 2.72Å; N60-R72 PolarHBondContact O-N 2.85Å; L62-R72 HydrophobicContact CD1-CB 4.18Å; L62-R72 HydrophobicContact CD2-CB 4.42Å; L62-R72 HydrophobicContact CG-CB 4.32Å; R72-S74 PolarHBondContact O-N 3.49Å; R72-G77 WeakPolarHBondContact CG-O 3.39Å; R72-N78 WeakPolarHBondContact CA-O 3.29Å; R72-E79 HydrophobicContact CB-CG 4.31Å; R72-E79 HydrophobicContact CG-CG 4.3Å; R72-E79 IonicContact CZ-OE1 3.42Å; R72-E79 IonicContact NE-OE1 3.36Å; R72-E79 PolarHBondContact NE-OE1 2.75Å; R72-E79 IonicContact NH2-OE1 2.66Å; R72-E79 PolarHBondContact NH2-OE1 3.13Å
73S93.4Very high92.3Very high1 Ų164.6 Ų64.61%0.00734%0.341CS..EExtended strand (participates in β ladder)trans-62.4128.9172.9155.40000110.2E57 A75 T76 G77 N78E57-S73 WeakPolarHBondContact OE1-CA 3.33Å; E57-S73 VanDerWaalsContact OE1-CB 3.31Å; E57-S73 WeakPolarHBondContact OE1-CB 3.33Å; E57-S73 PolarHBondContact OE1-OG 3.24Å; S73-A75 VanDerWaalsContact C-N 3.33Å; S73-A75 PolarHBondContact OG-N 2.83Å; S73-T76 WeakPolarHBondContact CB-OG1 3.45Å; S73-T76 WeakPolarHBondContact OG-CB 3.44Å; S73-T76 PolarHBondContact OG-N 2.99Å; S73-T76 PolarHBondContact OG-OG1 3.14Å; S73-G77 WeakPolarHBondContact O-CA 3.33Å; S73-G77 PolarHBondContact O-N 3.32Å; S73-N78 PolarHBondContact N-O 2.88Å
74S90.9Very high92.3Very high18 Ų1864.8 Ų64.813%0.12634%0.342CS..THydrogen-bonded Turntrans-79.4-18.5178.3-53.10000112.7E57 R58 N60 R72 S198E57-S74 PolarHBondContact OE1-N 2.92Å; E57-S74 VanDerWaalsContact OE1-N 3.12Å; R58-S74 WeakPolarHBondContact O-CB 3.19Å; R58-S74 PolarHBondContact O-N 3.3Å; R58-S74 PolarHBondContact O-OG 2.79Å; N60-S74 PolarHBondContact ND2-OG 2.86Å; R72-S74 PolarHBondContact O-N 3.49Å; S74-S198 PolarHBondContact O-OG 2.87Å
75A87.8Confident92.4Very high47 Ų4763.8 Ų63.839%0.38834%0.343SS..THydrogen-bonded Turntrans-87.3-38.1176.600000112.9E57 S73 Q194E57-A75 VanDerWaalsContact CD-CB 3.41Å; E57-A75 HydrophobicContact CG-CB 3.91Å; E57-A75 WeakPolarHBondContact OE1-CB 3.49Å; E57-A75 PolarHBondContact OE1-N 3.49Å; S73-A75 VanDerWaalsContact C-N 3.33Å; S73-A75 PolarHBondContact OG-N 2.83Å; A75-Q194 HydrophobicContact CB-CG 4.29Å
76T87.3Confident92.8Very high70 Ų7059.2 Ų59.243%0.42932%0.32SS..THydrogen-bonded Turntrans-106.4-19.2-175.970.10000113.8S52 S73 N78S52-T76 PolarHBondContact O-OG1 3.12Å; S73-T76 WeakPolarHBondContact CB-OG1 3.45Å; S73-T76 WeakPolarHBondContact OG-CB 3.44Å; S73-T76 PolarHBondContact OG-N 2.99Å; S73-T76 PolarHBondContact OG-OG1 3.14Å; T76-N78 PolarHBondContact O-N 3.13Å; T76-N78 WeakPolarHBondContact OG1-CB 3.43Å; T76-N78 PolarHBondContact OG1-N 3.46Å; T76-N78 PolarHBondContact OG1-ND2 2.81Å
77G88.8Confident93.1Very high42 Ų4257 Ų5743%0.43330%0.295SS..  trans75-3-172.500000114.2R72 S73R72-G77 WeakPolarHBondContact CG-O 3.39Å; S73-G77 WeakPolarHBondContact O-CA 3.33Å; S73-G77 PolarHBondContact O-N 3.32Å
78N88.8Confident93.3Very high85 Ų8550 Ų5046%0.45526%0.263SS..  trans-72.6141-177.7-67.9-34.9000111.7R72 S73 T76R72-N78 WeakPolarHBondContact CA-O 3.29Å; S73-N78 PolarHBondContact N-O 2.88Å; T76-N78 PolarHBondContact O-N 3.13Å; T76-N78 WeakPolarHBondContact OG1-CB 3.43Å; T76-N78 PolarHBondContact OG1-N 3.46Å; T76-N78 PolarHBondContact OG1-ND2 2.81Å
79E94.4Very high93.3Very high81 Ų8147.2 Ų47.238%0.37925%0.252SS..EExtended strand (participates in β ladder)trans-91.2141.7172-63.4-174.7-175.600110.7L62 K70 V71 R72L62-E79 HydrophobicContact CD1-CG 3.93Å; K70-E79 WeakPolarHBondContact CE-OE2 3.29Å; K70-E79 IonicContact NZ-OE2 2.78Å; K70-E79 PolarHBondContact NZ-OE2 3.32Å; V71-E79 CarbonylContact O-C 3.53Å; V71-E79 VanDerWaalsContact O-CA 3.28Å; V71-E79 WeakPolarHBondContact O-CA 3.21Å; R72-E79 HydrophobicContact CB-CG 4.31Å; R72-E79 HydrophobicContact CG-CG 4.3Å; R72-E79 IonicContact CZ-OE1 3.42Å; R72-E79 IonicContact NE-OE1 3.36Å; R72-E79 PolarHBondContact NE-OE1 2.75Å; R72-E79 IonicContact NH2-OE1 2.66Å; R72-E79 PolarHBondContact NH2-OE1 3.13Å
80S93.5Very high93.2Very high21 Ų2146.1 Ų46.115%0.14725%0.248CC..EExtended strand (participates in β ladder)trans-152.6154.6176.1-63.60000110.2S52 V71S52-S80 PolarHBondContact OG-OG 2.86Å; V71-S80 PolarHBondContact N-O 3.44Å; V71-S80 PolarHBondContact O-N 2.86Å
81Y94.5Very high93.1Very high137 Ų13746 Ų4654%0.53725%0.246SC..EExtended strand (participates in β ladder)trans-96124.6170-74.6-94000109.2Y43 W69 K70Y43-Y81 WeakPolarHBondContact CE1-O 3.23Å; Y43-Y81 PolarHBondContact OH-O 3.13Å; W69-Y81 WeakPolarHBondContact O-CA 3.28Å; K70-Y81 HydrophobicContact CB-CD1 4.03Å; K70-Y81 HydrophobicContact CB-CE1 3.63Å; K70-Y81 HydrophobicContact CD-CE1 4.33Å; K70-Y81 HydrophobicContact CD-CE2 4.24Å; K70-Y81 WeakPolarHBondContact CD-OH 3.4Å; K70-Y81 HydrophobicContact CG-CD1 4.34Å; K70-Y81 HydrophobicContact CG-CD2 4.46Å; K70-Y81 HydrophobicContact CG-CE1 3.87Å; K70-Y81 HydrophobicContact CG-CE2 3.98Å
82I94.7Very high92.9Very high3 Ų351.3 Ų51.32%0.01527%0.271CS..EExtended strand (participates in β ladder)trans-131.1153.3-179.666.2172.4000111Y43 I53 I59 W68 W69 V71 T87Y43-I82 HydrophobicContact CD1-CG2 3.44Å; Y43-I82 VanDerWaalsContact CD1-CG2 3.44Å; Y43-I82 HydrophobicContact CD2-CG2 4.08Å; Y43-I82 HydrophobicContact CE1-CG2 3.81Å; Y43-I82 HydrophobicContact CE2-CG2 4.41Å; Y43-I82 HydrophobicContact CG-CG2 3.56Å; I53-I82 HydrophobicContact CD1-CD1 4.48Å; I53-I82 HydrophobicContact CD1-CG2 3.73Å; I59-I82 HydrophobicContact CD1-CD1 3.77Å; W68-I82 CarbonylContact C-O 3.58Å; W68-I82 WeakPolarHBondContact CA-O 3.25Å; W69-I82 PolarHBondContact N-O 3.01Å; W69-I82 PolarHBondContact O-N 3.48Å; V71-I82 HydrophobicContact CG1-CD1 4.13Å; V71-I82 HydrophobicContact CG1-CG1 4.03Å; V71-I82 HydrophobicContact CG2-CD1 3.74Å; V71-I82 HydrophobicContact CG2-CG1 3.82Å; V71-I82 HydrophobicContact CG2-CG2 4.31Å; I82-T87 HydrophobicContact CD1-CG2 3.53Å; I82-T87 HydrophobicContact CG1-CG2 4.34Å
83P95.1Very high92.7Very high21 Ų2154.7 Ų54.714%0.13628%0.283CS..EExtended strand (participates in β ladder)trans-61.5140.5170.2-20.533000111E67 W68 S85 Y86E67-P83 CarbonylContact O-C 3.56Å; E67-P83 WeakPolarHBondContact O-CA 3.48Å; W68-P83 HydrophobicContact CE3-CG 4.18Å; W68-P83 HydrophobicContact CH2-CG 3.82Å; W68-P83 HydrophobicContact CZ2-CG 4.2Å; W68-P83 HydrophobicContact CZ3-CG 3.8Å; P83-S85 PolarHBondContact O-N 3.41Å; P83-Y86 HydrophobicContact CB-CD2 3.94Å; P83-Y86 HydrophobicContact CB-CE2 4.43Å; P83-Y86 HydrophobicContact CB-CG 4.42Å; P83-Y86 HydrophobicContact CG-CD2 4Å; P83-Y86 HydrophobicContact CG-CE2 4.15Å; P83-Y86 HydrophobicContact CG-CG 4.35Å; P83-Y86 WeakPolarHBondContact O-CB 3.48Å; P83-Y86 PolarHBondContact O-N 3Å
84S93.4Very high92.7Very high39 Ų3955 Ų5527%0.27329%0.286SS..G310 helixtrans-58.3-33176.4630000112.3E67 Y86 T87E67-S84 PolarHBondContact O-N 3.41Å; S84-Y86 PolarHBondContact O-N 3.3Å; S84-Y86 VanDerWaalsContact O-N 3.12Å; S84-T87 WeakPolarHBondContact O-CB 3.38Å; S84-T87 PolarHBondContact O-N 3.12Å; S84-T87 PolarHBondContact O-OG1 2.95Å
85S93.8Very high92.9Very high81 Ų8155.8 Ų55.857%0.56629%0.287SS*.G310 helixtrans-64.3-11.4174.563.80000114.7P83 T87P83-S85 PolarHBondContact O-N 3.41Å; S85-T87 PolarHBondContact O-N 2.99Å
86Y95.2Very high93.3Very high64 Ų6453.8 Ų53.825%0.25127%0.27SS..G310 helixtrans-86.45.9174.5-80.8-141.7000112.2L40 Y41 Y43 P83 S84L40-Y86 WeakPolarHBondContact CB-O 3.46Å; L40-Y86 PolarHBondContact N-O 3Å; Y41-Y86 AromaticContact CD2-CD1 3.81Å; Y41-Y86 HydrophobicContact CD2-CD1 3.81Å; Y41-Y86 AromaticContact CD2-CD2 3.83Å; Y41-Y86 HydrophobicContact CD2-CD2 3.83Å; Y41-Y86 HydrophobicContact CD2-CE1 4.16Å; Y41-Y86 HydrophobicContact CD2-CE2 4.19Å; Y41-Y86 AromaticContact CD2-CG 3.61Å; Y41-Y86 HydrophobicContact CD2-CG 3.61Å; Y41-Y86 HydrophobicContact CE2-CD2 4.19Å; Y41-Y86 HydrophobicContact CE2-CG 4.37Å; Y41-Y86 HydrophobicContact CG-CD1 4.11Å; Y41-Y86 HydrophobicContact CG-CE1 4.18Å; Y41-Y86 HydrophobicContact CG-CG 4.38Å; Y43-Y86 HydrophobicContact CD2-CD1 4.3Å; Y43-Y86 HydrophobicContact CD2-CE1 4.23Å; P83-Y86 HydrophobicContact CB-CD2 3.94Å; P83-Y86 HydrophobicContact CB-CE2 4.43Å; P83-Y86 HydrophobicContact CB-CG 4.42Å; P83-Y86 HydrophobicContact CG-CD2 4Å; P83-Y86 HydrophobicContact CG-CE2 4.15Å; P83-Y86 HydrophobicContact CG-CG 4.35Å; P83-Y86 WeakPolarHBondContact O-CB 3.48Å; P83-Y86 PolarHBondContact O-N 3Å; S84-Y86 PolarHBondContact O-N 3.3Å; S84-Y86 VanDerWaalsContact O-N 3.12Å
87T95.3Very high93.5Very high14 Ų1453.2 Ų53.29%0.08626%0.262CS..EExtended strand (participates in β ladder)trans-124.5154.9-174.577.50000110.9V37 V38 I59 W69 I82 S84 S85V37-T87 HydrophobicContact CG1-CG2 4.24Å; V38-T87 CarbonylContact O-C 3.52Å; V38-T87 WeakPolarHBondContact O-CA 3.12Å; I59-T87 HydrophobicContact CD1-CG2 3.47Å; I59-T87 VanDerWaalsContact CD1-CG2 3.47Å; W69-T87 HydrophobicContact CE3-CG2 4.38Å; I82-T87 HydrophobicContact CD1-CG2 3.53Å; I82-T87 HydrophobicContact CG1-CG2 4.34Å; S84-T87 WeakPolarHBondContact O-CB 3.38Å; S84-T87 PolarHBondContact O-N 3.12Å; S84-T87 PolarHBondContact O-OG1 2.95Å; S85-T87 PolarHBondContact O-N 2.99Å
88A95.5Very high93.6Very high3 Ų354 Ų543%0.02527%0.27CS..EExtended strand (participates in β ladder)trans-131.9143168.600000109.5V37 V38 L40 Y96 E97V37-A88 WeakPolarHBondContact CA-O 3.35Å; V38-A88 PolarHBondContact N-O 2.83Å; V38-A88 PolarHBondContact O-N 2.87Å; L40-A88 HydrophobicContact CD1-CB 4.2Å; L40-A88 HydrophobicContact CD2-CB 3.67Å; L40-A88 HydrophobicContact CG-CB 4.1Å; A88-Y96 HydrophobicContact CB-CD1 4.18Å; A88-E97 VanDerWaalsContact CB-O 3.29Å; A88-E97 WeakPolarHBondContact CB-O 3.45Å
89R94.7Very high93.9Very high75 Ų7550.1 Ų50.128%0.28325%0.249SC..EExtended strand (participates in β ladder)trans-84.9139169.5-59.4-170.7-167.392.42.6109Y35 V36 Y91 Y96 E97Y35-R89 HydrophobicContact CD2-CB 3.91Å; Y35-R89 HydrophobicContact CD2-CG 3.73Å; Y35-R89 HydrophobicContact CE2-CG 3.87Å; Y35-R89 HydrophobicContact CG-CB 4.28Å; Y35-R89 HydrophobicContact CG-CG 4.4Å; V36-R89 CarbonylContact O-C 3.5Å; V36-R89 WeakPolarHBondContact O-CA 3.45Å; R89-Y91 HydrophobicContact CB-CE2 3.79Å; R89-Y91 WeakPolarHBondContact CD-OH 3.35Å; R89-Y96 CarbonylContact O-C 3.42Å; R89-Y96 WeakPolarHBondContact O-CA 3.18Å; R89-E97 HydrophobicContact CB-CB 4.21Å; R89-E97 WeakPolarHBondContact CD-OE2 3.27Å; R89-E97 IonicContact CZ-OE2 3.72Å; R89-E97 IonicContact NH1-OE1 2.72Å; R89-E97 PolarHBondContact NH1-OE1 3.11Å; R89-E97 IonicContact NH1-OE2 3.35Å; R89-E97 PolarHBondContact NH1-OE2 2.92Å; R89-E97 PolarHBondContact O-N 2.99Å
90V94.9Very high93.9Very high2 Ų247.4 Ų47.41%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-123.3115.4179.1-169.10000109.7Y35 V36 V38 Q95 Y96 I193Y35-V90 VanDerWaalsContact CA-O 3.3Å; Y35-V90 WeakPolarHBondContact CA-O 3.46Å; V36-V90 HydrophobicContact CG2-CB 3.74Å; V36-V90 HydrophobicContact CG2-CG2 4.34Å; V36-V90 PolarHBondContact N-O 3.11Å; V36-V90 PolarHBondContact O-N 3.41Å; V38-V90 HydrophobicContact CB-CG2 4.23Å; V38-V90 HydrophobicContact CG2-CG2 3.59Å; V90-Q95 CarbonylContact C-O 3.5Å; V90-Q95 VanDerWaalsContact CA-O 3.26Å; V90-Q95 WeakPolarHBondContact CA-O 3.41Å; V90-Y96 HydrophobicContact CG1-CD2 3.95Å; V90-Y96 HydrophobicContact CG1-CE1 4.5Å; V90-Y96 HydrophobicContact CG1-CE2 3.73Å; V90-Y96 HydrophobicContact CG1-CG 4.41Å; V90-Y96 HydrophobicContact CG2-CD1 3.45Å; V90-Y96 VanDerWaalsContact CG2-CD1 3.45Å; V90-Y96 HydrophobicContact CG2-CD2 4.2Å; V90-Y96 HydrophobicContact CG2-CE1 3.33Å; V90-Y96 HydrophobicContact CG2-CE2 4.08Å; V90-Y96 HydrophobicContact CG2-CG 3.89Å; V90-I193 HydrophobicContact CB-CD1 4.44Å; V90-I193 HydrophobicContact CG1-CD1 4.26Å; V90-I193 HydrophobicContact CG2-CD1 4.32Å
91Y92.8Very high94Very high58 Ų5852.9 Ų52.923%0.22726%0.257CS..EExtended strand (participates in β ladder)trans-98.5151.1175.7-58.6-92.4000110Y35 R89 R93 C94 Q95 E97Y35-Y91 HydrophobicContact CD1-CE1 4.01Å; Y35-Y91 HydrophobicContact CG-CE1 4.17Å; R89-Y91 HydrophobicContact CB-CE2 3.79Å; R89-Y91 WeakPolarHBondContact CD-OH 3.35Å; Y91-R93 PolarHBondContact O-N 3.41Å; Y91-C94 PolarHBondContact O-N 3.15Å; Y91-C94 VanDerWaalsContact O-N 3.14Å; Y91-Q95 PolarHBondContact N-O 3.25Å; Y91-Q95 WeakPolarHBondContact O-CB 3.4Å; Y91-Q95 PolarHBondContact O-N 3.37Å; Y91-E97 HydrophobicContact CE2-CB 4.23Å
92H90.8Very high94Very high111 Ų11153.2 Ų53.251%0.51426%0.261SS..THydrogen-bonded Turntrans46.537.6175.5-53.4-72.9000113.6C94 Q95H92-C94 PolarHBondContact O-N 3.23Å; H92-C94 PolarHBondContact O-SG 2.71Å; H92-C94 VanDerWaalsContact O-SG 3.42Å; H92-Q95 PolarHBondContact CD2-NE2 3.22Å
93R91.2Very high94.1Very high175 Ų17553.6 Ų53.666%0.6626%0.263SS*.THydrogen-bonded Turntrans61.8-13.5-178.1-58.1177.262.6-157.6-5.7117.2Y91 E189 P190Y91-R93 PolarHBondContact O-N 3.41Å; R93-E189 IonicContact NH2-OE2 2.89Å; R93-P190 HydrophobicContact CB-CG 4.47Å
94C94.2Very high94.2Very high8 Ų852.6 Ų52.65%0.05426%0.256CS..THydrogen-bonded Turntrans-138.6-8.6-171.266.90000115Y91 H92 Y96 F118 V120 P190Y91-C94 PolarHBondContact O-N 3.15Å; Y91-C94 VanDerWaalsContact O-N 3.14Å; H92-C94 PolarHBondContact O-N 3.23Å; H92-C94 PolarHBondContact O-SG 2.71Å; H92-C94 VanDerWaalsContact O-SG 3.42Å; C94-Y96 WeakPolarHBondContact O-CD2 3.48Å; C94-F118 HydrophobicContact CB-CE2 3.8Å; C94-F118 HydrophobicContact CB-CZ 4.25Å; C94-V120 PolarHBondContact O-N 3.5Å; C94-V120 VanDerWaalsContact O-O 3.06Å; C94-P190 HydrophobicContact CB-CB 4.02Å; C94-P190 HydrophobicContact CB-CG 4.36Å
95Q95.1Very high94.3Very high35 Ų3553.6 Ų53.616%0.16426%0.257CS..EExtended strand (participates in β ladder)trans-97.6103.9-176.3-59.4177.52100110.5V90 Y91 H92 V120 L169V90-Q95 CarbonylContact C-O 3.5Å; V90-Q95 VanDerWaalsContact CA-O 3.26Å; V90-Q95 WeakPolarHBondContact CA-O 3.41Å; Y91-Q95 PolarHBondContact N-O 3.25Å; Y91-Q95 WeakPolarHBondContact O-CB 3.4Å; Y91-Q95 PolarHBondContact O-N 3.37Å; H92-Q95 PolarHBondContact CD2-NE2 3.22Å; Q95-V120 CarbonylContact C-O 3.56Å; Q95-V120 WeakPolarHBondContact CA-O 3.43Å; Q95-V120 HydrophobicContact CG-CB 4.3Å; Q95-L169 HydrophobicContact CG-CD1 4.37Å
96Y95.1Very high94.5Very high5 Ų553.6 Ų53.62%0.0225%0.247CC..EExtended strand (participates in β ladder)trans-94.8120.2-176.1-72.6-110.8000111.7A88 R89 V90 C94 L99 L107 L119 V120 R121 E122 I193A88-Y96 HydrophobicContact CB-CD1 4.18Å; R89-Y96 CarbonylContact O-C 3.42Å; R89-Y96 WeakPolarHBondContact O-CA 3.18Å; V90-Y96 HydrophobicContact CG1-CD2 3.95Å; V90-Y96 HydrophobicContact CG1-CE1 4.5Å; V90-Y96 HydrophobicContact CG1-CE2 3.73Å; V90-Y96 HydrophobicContact CG1-CG 4.41Å; V90-Y96 HydrophobicContact CG2-CD1 3.45Å; V90-Y96 VanDerWaalsContact CG2-CD1 3.45Å; V90-Y96 HydrophobicContact CG2-CD2 4.2Å; V90-Y96 HydrophobicContact CG2-CE1 3.33Å; V90-Y96 HydrophobicContact CG2-CE2 4.08Å; V90-Y96 HydrophobicContact CG2-CG 3.89Å; C94-Y96 WeakPolarHBondContact O-CD2 3.48Å; Y96-L99 HydrophobicContact CD1-CB 4.41Å; Y96-L99 HydrophobicContact CD1-CD2 3.74Å; Y96-L99 HydrophobicContact CD1-CG 4.49Å; Y96-L99 HydrophobicContact CD2-CD2 4.38Å; Y96-L99 HydrophobicContact CE1-CD2 4.48Å; Y96-L99 HydrophobicContact CG-CB 4.4Å; Y96-L99 HydrophobicContact CG-CD2 3.68Å; Y96-L107 HydrophobicContact CE1-CD1 4.38Å; Y96-L119 HydrophobicContact CD2-CB 3.77Å; Y96-L119 HydrophobicContact CD2-CD1 4.46Å; Y96-L119 HydrophobicContact CD2-CD2 4.34Å; Y96-L119 HydrophobicContact CD2-CG 4.42Å; Y96-L119 HydrophobicContact CE2-CB 3.73Å; Y96-L119 HydrophobicContact CE2-CD2 4.22Å; Y96-V120 PolarHBondContact N-O 3.33Å; Y96-R121 WeakPolarHBondContact O-CA 3.32Å; Y96-E122 PolarHBondContact O-N 2.79Å; Y96-I193 WeakPolarHBondContact OH-CG1 3.43Å
97E92.8Very high94.5Very high58 Ų5850.6 Ų50.627%0.27124%0.236SC..EExtended strand (participates in β ladder)trans-88.4137.9169.1-165.6-165.8171.200109.7A88 R89 Y91 L99A88-E97 VanDerWaalsContact CB-O 3.29Å; A88-E97 WeakPolarHBondContact CB-O 3.45Å; R89-E97 HydrophobicContact CB-CB 4.21Å; R89-E97 WeakPolarHBondContact CD-OE2 3.27Å; R89-E97 IonicContact CZ-OE2 3.72Å; R89-E97 IonicContact NH1-OE1 2.72Å; R89-E97 PolarHBondContact NH1-OE1 3.11Å; R89-E97 IonicContact NH1-OE2 3.35Å; R89-E97 PolarHBondContact NH1-OE2 2.92Å; R89-E97 PolarHBondContact O-N 2.99Å; Y91-E97 HydrophobicContact CE2-CB 4.23Å; E97-L99 VanDerWaalsContact C-N 3.25Å; E97-L99 PolarHBondContact O-N 3.5Å
98G89.2Confident94.6Very high58 Ų5849.9 Ų49.960%0.59823%0.232SC*.SBendtrans746.7178.900000115.7
99L95.1Very high94.6Very high3 Ų353.4 Ų53.42%0.01625%0.249CC..  trans-87.3122.2-179.7-17770.4000112.5L40 Y96 E97 K103 A104 L107 L119 R121L40-L99 HydrophobicContact CD2-CD1 3.49Å; L40-L99 VanDerWaalsContact CD2-CD1 3.49Å; Y96-L99 HydrophobicContact CD1-CB 4.41Å; Y96-L99 HydrophobicContact CD1-CD2 3.74Å; Y96-L99 HydrophobicContact CD1-CG 4.49Å; Y96-L99 HydrophobicContact CD2-CD2 4.38Å; Y96-L99 HydrophobicContact CE1-CD2 4.48Å; Y96-L99 HydrophobicContact CG-CB 4.4Å; Y96-L99 HydrophobicContact CG-CD2 3.68Å; E97-L99 VanDerWaalsContact C-N 3.25Å; E97-L99 PolarHBondContact O-N 3.5Å; L99-K103 HydrophobicContact CD1-CB 3.72Å; L99-K103 HydrophobicContact CD1-CG 3.69Å; L99-A104 HydrophobicContact CD2-CB 3.79Å; L99-A104 HydrophobicContact CG-CB 4.19Å; L99-L107 HydrophobicContact CD1-CD1 3.83Å; L99-L107 HydrophobicContact CD2-CD1 4.49Å; L99-L119 HydrophobicContact CD2-CD1 3.63Å; L99-L119 HydrophobicContact CD2-CD2 3.68Å; L99-L119 HydrophobicContact CD2-CG 4.32Å; L99-R121 HydrophobicContact CB-CB 4.26Å; L99-R121 HydrophobicContact CD2-CB 4.33Å
100S94.9Very high94.6Very high25 Ų2552.3 Ų52.318%0.17525%0.249CC..  trans-75.3159.4176.478.70000113.2K102 K103 A104S100-K102 PolarHBondContact O-N 2.89Å; S100-K103 PolarHBondContact O-N 2.74Å; S100-K103 WeakPolarHBondContact OG-CB 3.43Å; S100-K103 PolarHBondContact OG-N 2.94Å; S100-K103 VanDerWaalsContact OG-N 3.15Å; S100-A104 PolarHBondContact O-N 3.27Å
101R95.1Very high94.5Very high135 Ų13557.3 Ų57.351%0.50928%0.281SS..Hα-helixtrans-55.9-50.9175.6179.8-179.8174.6172.90.8112K103 A104 E105R101-K103 VanDerWaalsContact C-N 3.25Å; R101-K103 PolarHBondContact O-N 2.86Å; R101-A104 WeakPolarHBondContact O-CB 3.14Å; R101-A104 PolarHBondContact O-N 3.19Å; R101-E105 IonicContact NE-OE1 2.71Å; R101-E105 PolarHBondContact NE-OE1 3.27Å; R101-E105 WeakPolarHBondContact O-CG 3.45Å; R101-E105 PolarHBondContact O-N 3.35Å
102K95.6Very high94.4Very high144 Ų14458.9 Ų58.963%0.62629%0.294SS*.Hα-helixtrans-60-40.6-179.6-176.8-179.1175.7-175.60110.8S100 E105 E106S100-K102 PolarHBondContact O-N 2.89Å; K102-E105 WeakPolarHBondContact O-CB 3.29Å; K102-E105 PolarHBondContact O-N 2.8Å; K102-E106 WeakPolarHBondContact CE-OE1 3.41Å; K102-E106 PolarHBondContact O-N 2.88Å; K102-E106 VanDerWaalsContact O-N 3.12Å
103K95.8Very high94.6Very high12 Ų1253.7 Ų53.75%0.05227%0.27CS..Hα-helixtrans-71.9-35.5-178.1-162.370.3-157.9173.50113.3L40 Y41 L99 S100 R101 E105 E106 L107L40-K103 VanDerWaalsContact C-CE 3.45Å; L40-K103 HydrophobicContact CB-CD 4.42Å; L40-K103 HydrophobicContact CB-CG 4.2Å; L40-K103 HydrophobicContact CD2-CG 4.16Å; L40-K103 WeakPolarHBondContact O-CE 3.31Å; L40-K103 PolarHBondContact O-NZ 2.7Å; Y41-K103 HydrophobicContact CD1-CD 4.41Å; Y41-K103 HydrophobicContact CE1-CD 3.88Å; L99-K103 HydrophobicContact CD1-CB 3.72Å; L99-K103 HydrophobicContact CD1-CG 3.69Å; S100-K103 PolarHBondContact O-N 2.74Å; S100-K103 WeakPolarHBondContact OG-CB 3.43Å; S100-K103 PolarHBondContact OG-N 2.94Å; S100-K103 VanDerWaalsContact OG-N 3.15Å; R101-K103 VanDerWaalsContact C-N 3.25Å; R101-K103 PolarHBondContact O-N 2.86Å; K103-E105 VanDerWaalsContact C-N 3.26Å; K103-E105 PolarHBondContact O-N 2.94Å; K103-E106 WeakPolarHBondContact CD-OE2 3.41Å; K103-E106 WeakPolarHBondContact CE-OE2 3.07Å; K103-E106 IonicContact NZ-OE2 3.89Å; K103-E106 PolarHBondContact NZ-OE2 3.44Å; K103-E106 PolarHBondContact O-N 2.82Å; K103-L107 WeakPolarHBondContact O-CG 2.7Å; K103-L107 PolarHBondContact O-N 2.88Å
104A97.2Very high94.8Very high0 Ų051.4 Ų51.40%027%0.267CS..Hα-helixtrans-58.4-40.3170.300000112.2L99 S100 R101 L108 L119L99-A104 HydrophobicContact CD2-CB 3.79Å; L99-A104 HydrophobicContact CG-CB 4.19Å; S100-A104 PolarHBondContact O-N 3.27Å; R101-A104 WeakPolarHBondContact O-CB 3.14Å; R101-A104 PolarHBondContact O-N 3.19Å; A104-L108 WeakPolarHBondContact O-CB 3.4Å; A104-L108 WeakPolarHBondContact O-CG 3.48Å; A104-L108 PolarHBondContact O-N 2.79Å; A104-L119 HydrophobicContact CB-CD1 3.88Å; A104-L119 HydrophobicContact CB-CD2 4.14Å; A104-L119 HydrophobicContact CB-CG 4.47Å
105E97Very high94.8Very high60 Ų6054.1 Ų54.128%0.2828%0.283SS..Hα-helixtrans-63.3-48.3176.2-62.4174179.900111.1R101 K102 K103 L107 L108 L109 V145 H147R101-E105 IonicContact NE-OE1 2.71Å; R101-E105 PolarHBondContact NE-OE1 3.27Å; R101-E105 WeakPolarHBondContact O-CG 3.45Å; R101-E105 PolarHBondContact O-N 3.35Å; K102-E105 WeakPolarHBondContact O-CB 3.29Å; K102-E105 PolarHBondContact O-N 2.8Å; K103-E105 VanDerWaalsContact C-N 3.26Å; K103-E105 PolarHBondContact O-N 2.94Å; E105-L107 PolarHBondContact O-N 3.14Å; E105-L108 PolarHBondContact O-N 2.79Å; E105-L109 WeakPolarHBondContact O-CB 3.21Å; E105-L109 WeakPolarHBondContact O-CG 3.41Å; E105-L109 PolarHBondContact O-N 3.1Å; E105-V145 HydrophobicContact CB-CG2 4.44Å; E105-V145 HydrophobicContact CG-CB 4.02Å; E105-V145 HydrophobicContact CG-CG1 4.16Å; E105-V145 HydrophobicContact CG-CG2 4.49Å; E105-H147 WeakPolarHBondContact CG-NE2 3.26Å; E105-H147 IonicContact OE1-CD2 3.89Å; E105-H147 IonicContact OE1-CE1 3.37Å; E105-H147 IonicContact OE1-NE2 2.7Å; E105-H147 PolarHBondContact OE1-NE2 2.93Å
106E96.4Very high94.9Very high80 Ų8052.6 Ų52.637%0.37428%0.277SS..Hα-helixtrans-57.7-45.1177.4-69.6174.5-163.400112.5K102 K103 L109 L110K102-E106 WeakPolarHBondContact CE-OE1 3.41Å; K102-E106 PolarHBondContact O-N 2.88Å; K102-E106 VanDerWaalsContact O-N 3.12Å; K103-E106 WeakPolarHBondContact CD-OE2 3.41Å; K103-E106 WeakPolarHBondContact CE-OE2 3.07Å; K103-E106 IonicContact NZ-OE2 3.89Å; K103-E106 PolarHBondContact NZ-OE2 3.44Å; K103-E106 PolarHBondContact O-N 2.82Å; E106-L109 PolarHBondContact O-N 3.3Å; E106-L110 PolarHBondContact O-N 3.42Å
107L96.9Very high95Very high1 Ų152.7 Ų52.71%0.00528%0.278CS..Hα-helixtrans-67-46.2179.7-68.8179.1000112.1L40 A55 Y96 L99 K103 E105 L109 L110 N113L40-L107 HydrophobicContact CD2-CD1 4.11Å; A55-L107 HydrophobicContact CB-CD2 4.44Å; Y96-L107 HydrophobicContact CE1-CD1 4.38Å; L99-L107 HydrophobicContact CD1-CD1 3.83Å; L99-L107 HydrophobicContact CD2-CD1 4.49Å; K103-L107 WeakPolarHBondContact O-CG 2.7Å; K103-L107 PolarHBondContact O-N 2.88Å; E105-L107 PolarHBondContact O-N 3.14Å; L107-L109 PolarHBondContact O-N 3.02Å; L107-L110 HydrophobicContact CD2-CD1 4.06Å; L107-L110 VanDerWaalsContact O-CB 3.25Å; L107-L110 WeakPolarHBondContact O-CB 3.38Å; L107-L110 VanDerWaalsContact O-CG 3.28Å; L107-L110 WeakPolarHBondContact O-CG 3.26Å; L107-L110 PolarHBondContact O-N 3.44Å; L107-L110 VanDerWaalsContact O-N 3.14Å; L107-N113 PolarHBondContact O-ND2 3.29Å
108L97Very high95.3Very high0 Ų050.1 Ų50.10%027%0.266CS..Hα-helixtrans-65.2-29.7179.3-77.6170.9000112.4A104 E105 L110 N113 L119 R135 V145 C191A104-L108 WeakPolarHBondContact O-CB 3.4Å; A104-L108 WeakPolarHBondContact O-CG 3.48Å; A104-L108 PolarHBondContact O-N 2.79Å; E105-L108 PolarHBondContact O-N 2.79Å; L108-L110 VanDerWaalsContact C-N 3.27Å; L108-L110 PolarHBondContact O-N 2.86Å; L108-N113 WeakPolarHBondContact O-CB 3.36Å; L108-N113 PolarHBondContact O-ND2 3.36Å; L108-L119 HydrophobicContact CD1-CD2 4.24Å; L108-L119 HydrophobicContact CD1-CG 4.15Å; L108-L119 HydrophobicContact CD2-CD2 4.37Å; L108-L119 HydrophobicContact CG-CD2 3.97Å; L108-L119 HydrophobicContact CG-CG 4.33Å; L108-R135 HydrophobicContact CB-CB 4.45Å; L108-R135 WeakPolarHBondContact O-CD 3.37Å; L108-R135 PolarHBondContact O-NH1 3.28Å; L108-V145 HydrophobicContact CB-CG2 3.92Å; L108-V145 HydrophobicContact CD1-CG1 3.73Å; L108-V145 HydrophobicContact CD1-CG2 4.22Å; L108-C191 HydrophobicContact CD2-CB 3.81Å
109L95.7Very high95.7Very high76 Ų7647.4 Ų47.440%0.39824%0.238SC..THydrogen-bonded Turntrans-80.3-2.4177.5-67.2173.5000113.9E105 E106 L107 C143 V145E105-L109 WeakPolarHBondContact O-CB 3.21Å; E105-L109 WeakPolarHBondContact O-CG 3.41Å; E105-L109 PolarHBondContact O-N 3.1Å; E106-L109 PolarHBondContact O-N 3.3Å; L107-L109 PolarHBondContact O-N 3.02Å; L109-C143 HydrophobicContact CD2-CB 3.65Å; L109-V145 HydrophobicContact CD2-CG2 4.2Å; L109-V145 HydrophobicContact CG-CG2 4.11Å
110L94Very high95.8Very high53 Ų5347.3 Ų47.328%0.27724%0.237SC..SBendtrans-58.2147.9170.4-68.1174.3000111.3E106 L107 L108 N112 N113 R135E106-L110 PolarHBondContact O-N 3.42Å; L107-L110 HydrophobicContact CD2-CD1 4.06Å; L107-L110 VanDerWaalsContact O-CB 3.25Å; L107-L110 WeakPolarHBondContact O-CB 3.38Å; L107-L110 VanDerWaalsContact O-CG 3.28Å; L107-L110 WeakPolarHBondContact O-CG 3.26Å; L107-L110 PolarHBondContact O-N 3.44Å; L107-L110 VanDerWaalsContact O-N 3.14Å; L108-L110 VanDerWaalsContact C-N 3.27Å; L108-L110 PolarHBondContact O-N 2.86Å; L110-N112 PolarHBondContact O-N 2.79Å; L110-N112 VanDerWaalsContact O-N 3.12Å; L110-N113 PolarHBondContact O-N 2.8Å; L110-N113 VanDerWaalsContact O-N 3.13Å; L110-R135 PolarHBondContact O-NH1 3.48Å
111P92Very high95.8Very high106 Ų10646.7 Ų46.769%0.68823%0.231SC*.THydrogen-bonded Turntrans-64.5-21.1-170.924.8-35.2000114.2N113P111-N113 VanDerWaalsContact C-N 3.25Å; P111-N113 PolarHBondContact O-N 3.38Å
112N91.9Very high95.7Very high92 Ų9244.7 Ų44.749%0.49223%0.228SC..THydrogen-bonded Turntrans-75.7-13179.3-60.289.5000113.8L110 F192L110-N112 PolarHBondContact O-N 2.79Å; L110-N112 VanDerWaalsContact O-N 3.12Å; N112-F192 HydrophobicContact CB-CB 3.98Å; N112-F192 HydrophobicContact CB-CD1 3.39Å; N112-F192 HydrophobicContact CB-CD2 4.36Å; N112-F192 HydrophobicContact CB-CE1 3.9Å; N112-F192 HydrophobicContact CB-CG 3.65Å
113N94.9Very high95.1Very high2 Ų238.6 Ų38.61%0.01120%0.203CC..  trans-90.8152.2177.8-70.6-54.6000111.1L107 L108 L110 P111 R135 C191 F192L107-N113 PolarHBondContact O-ND2 3.29Å; L108-N113 WeakPolarHBondContact O-CB 3.36Å; L108-N113 PolarHBondContact O-ND2 3.36Å; L110-N113 PolarHBondContact O-N 2.8Å; L110-N113 VanDerWaalsContact O-N 3.13Å; P111-N113 VanDerWaalsContact C-N 3.25Å; P111-N113 PolarHBondContact O-N 3.38Å; N113-R135 PolarHBondContact O-NH1 3.38Å; N113-R135 PolarHBondContact O-NH2 3.27Å; N113-C191 WeakPolarHBondContact OD1-CA 3.05Å; N113-F192 WeakPolarHBondContact OD1-CB 3.42Å; N113-F192 PolarHBondContact OD1-N 2.79Å
114Q94.6Very high94.3Very high126 Ų12644.5 Ų44.559%0.58923%0.231SC*.  trans-118.9176.1-179.6-63-60.3-26.500111G116 S117 R135Q114-G116 PolarHBondContact O-N 3.49Å; Q114-S117 PolarHBondContact N-OG 3.05Å; Q114-S117 VanDerWaalsContact O-CB 3.22Å; Q114-S117 WeakPolarHBondContact O-CB 3.3Å; Q114-S117 PolarHBondContact O-N 3.26Å; Q114-S117 PolarHBondContact O-OG 3.24Å; Q114-R135 WeakPolarHBondContact O-CD 3.13Å; Q114-R135 WeakPolarHBondContact O-CG 3.37Å
115T95.2Very high93.2Very high66 Ų6650.1 Ų50.141%0.40527%0.265SS..THydrogen-bonded Turntrans-60136.5168.9-66.60000109.6S117 T137 C185T115-S117 VanDerWaalsContact C-N 3.26Å; T115-T137 WeakPolarHBondContact OG1-CB 3.43Å; T115-T137 PolarHBondContact OG1-N 2.77Å; T115-T137 VanDerWaalsContact OG1-N 3.1Å; T115-T137 PolarHBondContact OG1-OG1 2.94Å; T115-C185 HydrophobicContact CG2-CB 4.46Å
116G96.1Very high92.2Very high3 Ų350.5 Ų50.53%0.03126%0.264CS..THydrogen-bonded Turntrans86.1-10.5-173.300000113.6Q114 F118 R135 L186 G188Q114-G116 PolarHBondContact O-N 3.49Å; G116-F118 PolarHBondContact O-N 2.95Å; G116-R135 PolarHBondContact N-O 3.42Å; G116-L186 WeakPolarHBondContact CA-O 3.34Å; G116-G188 PolarHBondContact O-N 3.11Å
117S97.7Very high91.2Very high6 Ų653.3 Ų53.34%0.04229%0.289CS..  trans-60.8136.1172.9-70.40000110.9Q114 T115 R135 E189Q114-S117 PolarHBondContact N-OG 3.05Å; Q114-S117 VanDerWaalsContact O-CB 3.22Å; Q114-S117 WeakPolarHBondContact O-CB 3.3Å; Q114-S117 PolarHBondContact O-N 3.26Å; Q114-S117 PolarHBondContact O-OG 3.24Å; T115-S117 VanDerWaalsContact C-N 3.26Å; S117-R135 PolarHBondContact O-N 3.03Å; S117-E189 WeakPolarHBondContact CA-O 3.04Å
118F98.3Very high90.2Very high5 Ų555.6 Ų55.62%0.02231%0.313CS..EExtended strand (participates in β ladder)trans-143.4162.7-169.175.4-81.5000113.4C94 G116 L132 S133 V134 V173 L187 G188 E189 P190 C191C94-F118 HydrophobicContact CB-CE2 3.8Å; C94-F118 HydrophobicContact CB-CZ 4.25Å; G116-F118 PolarHBondContact O-N 2.95Å; F118-L132 HydrophobicContact CB-CD1 4.19Å; F118-L132 HydrophobicContact CD2-CD1 3.73Å; F118-L132 HydrophobicContact CG-CD1 4.33Å; F118-S133 CarbonylContact C-O 3.53Å; F118-S133 WeakPolarHBondContact CA-O 3.43Å; F118-S133 WeakPolarHBondContact CB-O 3.49Å; F118-V134 HydrophobicContact CB-CG2 4.21Å; F118-V173 HydrophobicContact CE1-CG1 4.32Å; F118-V173 HydrophobicContact CE2-CB 4.37Å; F118-V173 HydrophobicContact CE2-CG1 3.58Å; F118-V173 HydrophobicContact CE2-CG2 3.79Å; F118-V173 HydrophobicContact CZ-CG1 3.33Å; F118-V173 HydrophobicContact CZ-CG2 4.42Å; F118-L187 HydrophobicContact CB-CD2 3.9Å; F118-L187 HydrophobicContact CD1-CB 3.87Å; F118-L187 HydrophobicContact CD1-CD2 4.28Å; F118-L187 HydrophobicContact CD1-CG 4.44Å; F118-L187 HydrophobicContact CD2-CD1 4.25Å; F118-L187 HydrophobicContact CE1-CB 4.06Å; F118-L187 HydrophobicContact CE2-CD1 4.41Å; F118-L187 HydrophobicContact CG-CB 4.37Å; F118-L187 HydrophobicContact CG-CD1 4.33Å; F118-L187 HydrophobicContact CG-CD2 4Å; F118-L187 HydrophobicContact CG-CG 4.46Å; F118-G188 VanDerWaalsContact CE1-O 3.29Å; F118-G188 WeakPolarHBondContact CE1-O 3.32Å; F118-E189 PolarHBondContact N-O 2.78Å; F118-P190 HydrophobicContact CE1-CG 4.25Å; F118-P190 HydrophobicContact CZ-CG 4.15Å; F118-P190 CarbonylContact O-C 3.52Å; F118-P190 WeakPolarHBondContact O-CA 3.47Å; F118-C191 PolarHBondContact O-N 2.96Å
119L97.9Very high89.7Confident0 Ų056 Ų560%032%0.317CS..EExtended strand (participates in β ladder)trans-146.6154.2165.261.982000109.8Y96 L99 A104 L108 R121 S133 C191Y96-L119 HydrophobicContact CD2-CB 3.77Å; Y96-L119 HydrophobicContact CD2-CD1 4.46Å; Y96-L119 HydrophobicContact CD2-CD2 4.34Å; Y96-L119 HydrophobicContact CD2-CG 4.42Å; Y96-L119 HydrophobicContact CE2-CB 3.73Å; Y96-L119 HydrophobicContact CE2-CD2 4.22Å; L99-L119 HydrophobicContact CD2-CD1 3.63Å; L99-L119 HydrophobicContact CD2-CD2 3.68Å; L99-L119 HydrophobicContact CD2-CG 4.32Å; A104-L119 HydrophobicContact CB-CD1 3.88Å; A104-L119 HydrophobicContact CB-CD2 4.14Å; A104-L119 HydrophobicContact CB-CG 4.47Å; L108-L119 HydrophobicContact CD1-CD2 4.24Å; L108-L119 HydrophobicContact CD1-CG 4.15Å; L108-L119 HydrophobicContact CD2-CD2 4.37Å; L108-L119 HydrophobicContact CG-CD2 3.97Å; L108-L119 HydrophobicContact CG-CG 4.33Å; L119-R121 HydrophobicContact CD1-CB 4.01Å; L119-R121 HydrophobicContact CD1-CG 4.15Å; L119-S133 PolarHBondContact N-O 3.15Å; L119-S133 PolarHBondContact O-N 3.11Å; L119-C191 HydrophobicContact CB-CB 4.11Å; L119-C191 HydrophobicContact CD2-CB 4Å
120V97.4Very high89.7Confident1 Ų154 Ų541%0.00631%0.305CS..EExtended strand (participates in β ladder)trans-103.1134.6168.5-178.80000107C94 Q95 Y96 H130 S131 L132 I150 L169 V173C94-V120 PolarHBondContact O-N 3.5Å; C94-V120 VanDerWaalsContact O-O 3.06Å; Q95-V120 CarbonylContact C-O 3.56Å; Q95-V120 WeakPolarHBondContact CA-O 3.43Å; Q95-V120 HydrophobicContact CG-CB 4.3Å; Y96-V120 PolarHBondContact N-O 3.33Å; V120-H130 HydrophobicContact CG1-CB 4.01Å; V120-S131 WeakPolarHBondContact CA-O 3.38Å; V120-L132 HydrophobicContact CG2-CD1 4Å; V120-I150 HydrophobicContact CG1-CD1 4.03Å; V120-I150 HydrophobicContact CG2-CD1 4.48Å; V120-L169 HydrophobicContact CG1-CD1 4.19Å; V120-L169 HydrophobicContact CG1-CD2 4.43Å; V120-V173 HydrophobicContact CG2-CG2 4.18Å
121R96.3Very high89.8Confident13 Ų1352 Ų525%0.04930%0.296CS..EExtended strand (participates in β ladder)trans-132.8156.2175.959.9175.4178.874.26.5110.7Y96 L99 L119 H130 S131 S133 H147Y96-R121 WeakPolarHBondContact O-CA 3.32Å; L99-R121 HydrophobicContact CB-CB 4.26Å; L99-R121 HydrophobicContact CD2-CB 4.33Å; L119-R121 HydrophobicContact CD1-CB 4.01Å; L119-R121 HydrophobicContact CD1-CG 4.15Å; R121-H130 CarbonylContact O-C 3.5Å; R121-H130 WeakPolarHBondContact O-CA 3.47Å; R121-S131 PolarHBondContact N-O 2.82Å; R121-S131 PolarHBondContact O-N 3.27Å; R121-S133 PolarHBondContact NE-OG 2.9Å; R121-H147 PolarHBondContact NH2-ND1 2.75Å
122E91.6Very high90Very high93 Ų9347 Ų4744%0.43526%0.263SS..EExtended strand (participates in β ladder)trans-64.6146.3169.7-65-176.6156.800111.5Y96 Q124Y96-E122 PolarHBondContact O-N 2.79Å; E122-Q124 PolarHBondContact O-N 3.46Å
123S83.3Confident90.3Very high15 Ų1542.6 Ų42.611%0.10524%0.24CC..  trans-81.3110.5177.9-179.80000110.2T125 R126 A129S123-T125 PolarHBondContact O-N 2.71Å; S123-T125 PolarHBondContact OG-OG1 3.45Å; S123-R126 CarbonylContact O-C 3.56Å; S123-R126 PolarHBondContact O-N 2.68Å; S123-R126 VanDerWaalsContact O-N 3.11Å; S123-A129 WeakPolarHBondContact CB-O 3.16Å; S123-A129 PolarHBondContact N-O 2.89Å
124Q78.6Confident90.5Very high136 Ų13642.5 Ų42.564%0.63624%0.239SC*.THydrogen-bonded Turntrans-56-25.4176-62.1-175.7-66.500113.9E122E122-Q124 PolarHBondContact O-N 3.46Å
125T75.3Confident90.6Very high119 Ų11937.6 Ų37.673%0.7322%0.215SC*.THydrogen-bonded Turntrans-91.5-15.5-177.455.40000114.1S123S123-T125 PolarHBondContact O-N 2.71Å; S123-T125 PolarHBondContact OG-OG1 3.45Å
126R75.6Confident90.5Very high68 Ų6837.8 Ų37.826%0.25721%0.211SC..SBendtrans-150.9105.8-172.9-70.9-176.7-57.2142.816110.2S123 G128 A129 R149S123-R126 CarbonylContact O-C 3.56Å; S123-R126 PolarHBondContact O-N 2.68Å; S123-R126 VanDerWaalsContact O-N 3.11Å; R126-G128 PolarHBondContact O-N 2.85Å; R126-A129 HydrophobicContact CB-CB 3.9Å; R126-A129 VanDerWaalsContact NH2-CB 3.34Å; R126-A129 WeakPolarHBondContact O-CB 3.42Å; R126-A129 PolarHBondContact O-N 3.3Å; R126-A129 VanDerWaalsContact O-N 3.11Å; R126-R149 VanDerWaalsContact CZ-NE 3.32Å; R126-R149 VanDerWaalsContact NH2-CG 3.32Å; R126-R149 VanDerWaalsContact NH2-CZ 3.34Å
127P74.3Confident90.2Very high138 Ų13839.6 Ų39.690%0.89622%0.221SC*.THydrogen-bonded Turntrans-52.8138.1173.6-25.534.8000111.3A129P127-A129 PolarHBondContact O-N 3.29Å
128G76.9Confident89.5Confident49 Ų4941.4 Ų41.451%0.50523%0.233SC..THydrogen-bonded Turntrans78.4-13-177.500000115.6R126 Q152R126-G128 PolarHBondContact O-N 2.85Å; G128-Q152 PolarHBondContact O-OE1 2.84Å
129A86.5Confident88.4Confident10 Ų1049.6 Ų49.68%0.08328%0.278CS..  trans-87.9146.5171.900000111.2S123 R126 P127S123-A129 WeakPolarHBondContact CB-O 3.16Å; S123-A129 PolarHBondContact N-O 2.89Å; R126-A129 HydrophobicContact CB-CB 3.9Å; R126-A129 VanDerWaalsContact NH2-CB 3.34Å; R126-A129 WeakPolarHBondContact O-CB 3.42Å; R126-A129 PolarHBondContact O-N 3.3Å; R126-A129 VanDerWaalsContact O-N 3.11Å; P127-A129 PolarHBondContact O-N 3.29Å
130H94.9Very high87.5Confident33 Ų3357.2 Ų57.215%0.15331%0.313CS..EExtended strand (participates in β ladder)trans-113.1165.3178.3-62.487.1000110.8V120 R121 I150 L169V120-H130 HydrophobicContact CG1-CB 4.01Å; R121-H130 CarbonylContact O-C 3.5Å; R121-H130 WeakPolarHBondContact O-CA 3.47Å; H130-I150 HydrophobicContact CB-CB 3.92Å; H130-I150 HydrophobicContact CB-CD1 4.03Å; H130-I150 HydrophobicContact CB-CG2 4.3Å; H130-I150 PolarHBondContact N-O 3.12Å; H130-I150 PolarHBondContact O-N 2.82Å; H130-I150 VanDerWaalsContact O-O 3.12Å; H130-L169 HydrophobicContact CB-CD2 4.34Å
131S96.1Very high86.1Confident12 Ų1264.1 Ų64.18%0.08435%0.35CS..EExtended strand (participates in β ladder)trans-136.7128.7172.8-64.10000109.6V120 R121 Y148V120-S131 WeakPolarHBondContact CA-O 3.38Å; R121-S131 PolarHBondContact N-O 2.82Å; R121-S131 PolarHBondContact O-N 3.27Å; S131-Y148 CarbonylContact C-O 3.58Å; S131-Y148 VanDerWaalsContact CA-O 3.29Å; S131-Y148 WeakPolarHBondContact CA-O 3.36Å
132L97.3Very high85.5Confident0 Ų072.2 Ų72.20%038%0.381CS..EExtended strand (participates in β ladder)trans-88.8120.8171.2175.866.6000108.6F118 V120 V134 H147 Y148 I150 I160 L183 L187F118-L132 HydrophobicContact CB-CD1 4.19Å; F118-L132 HydrophobicContact CD2-CD1 3.73Å; F118-L132 HydrophobicContact CG-CD1 4.33Å; V120-L132 HydrophobicContact CG2-CD1 4Å; L132-V134 HydrophobicContact CD1-CG2 4.22Å; L132-V134 HydrophobicContact CD2-CG2 4.07Å; L132-V134 HydrophobicContact CG-CG2 3.75Å; L132-H147 CarbonylContact O-C 3.57Å; L132-H147 WeakPolarHBondContact O-CA 3.32Å; L132-Y148 HydrophobicContact CD2-CD2 4.28Å; L132-Y148 HydrophobicContact CG-CD2 4.43Å; L132-Y148 PolarHBondContact N-O 3.48Å; L132-Y148 PolarHBondContact O-N 2.48Å; L132-I150 HydrophobicContact CB-CD1 3.87Å; L132-I150 HydrophobicContact CB-CG1 4.28Å; L132-I160 HydrophobicContact CB-CD1 4.42Å; L132-I160 HydrophobicContact CD2-CD1 3.75Å; L132-L183 HydrophobicContact CD2-CD1 3.91Å; L132-L187 HydrophobicContact CD1-CD1 4.26Å; L132-L187 HydrophobicContact CD1-CD2 4.38Å; L132-L187 HydrophobicContact CD2-CD1 4.23Å; L132-L187 HydrophobicContact CD2-CD2 4.23Å
133S98Very high85.3Confident0 Ų070.4 Ų70.40%038%0.377CS..EExtended strand (participates in β ladder)trans-107.7124.6175.5-64.20000108.8F118 L119 R121 K146 H147F118-S133 CarbonylContact C-O 3.53Å; F118-S133 WeakPolarHBondContact CA-O 3.43Å; F118-S133 WeakPolarHBondContact CB-O 3.49Å; L119-S133 PolarHBondContact N-O 3.15Å; L119-S133 PolarHBondContact O-N 3.11Å; R121-S133 PolarHBondContact NE-OG 2.9Å; S133-K146 CarbonylContact C-O 3.57Å; S133-K146 WeakPolarHBondContact CA-O 3.37Å; S133-H147 PolarHBondContact OG-CE1 3.4Å; S133-H147 VanDerWaalsContact OG-CE1 3.24Å; S133-H147 PolarHBondContact OG-ND1 3.25Å
134V97.9Very high85.8Confident0 Ų072.2 Ų72.20%039%0.39CS..EExtended strand (participates in β ladder)trans-127.2127.7-174.5-169.60000110.1F118 L132 V145 K146 Y148 L187F118-V134 HydrophobicContact CB-CG2 4.21Å; L132-V134 HydrophobicContact CD1-CG2 4.22Å; L132-V134 HydrophobicContact CD2-CG2 4.07Å; L132-V134 HydrophobicContact CG-CG2 3.75Å; V134-V145 CarbonylContact O-C 3.57Å; V134-V145 WeakPolarHBondContact O-CA 3.32Å; V134-K146 PolarHBondContact N-O 2.83Å; V134-K146 PolarHBondContact O-N 2.94Å; V134-Y148 HydrophobicContact CB-CE2 4.39Å; V134-Y148 HydrophobicContact CG2-CD2 4.14Å; V134-Y148 HydrophobicContact CG2-CE2 3.93Å; V134-L187 HydrophobicContact CG1-CD2 4.06Å; V134-L187 HydrophobicContact CG2-CD2 3.64Å
135R97.3Very high86.7Confident22 Ų2266.8 Ų66.88%0.08337%0.367CS..EExtended strand (participates in β ladder)trans-74132.6171.8173.6165.8173.4174.6-8.4110.5L108 L110 N113 Q114 G116 S117L108-R135 HydrophobicContact CB-CB 4.45Å; L108-R135 WeakPolarHBondContact O-CD 3.37Å; L108-R135 PolarHBondContact O-NH1 3.28Å; L110-R135 PolarHBondContact O-NH1 3.48Å; N113-R135 PolarHBondContact O-NH1 3.38Å; N113-R135 PolarHBondContact O-NH2 3.27Å; Q114-R135 WeakPolarHBondContact O-CD 3.13Å; Q114-R135 WeakPolarHBondContact O-CG 3.37Å; G116-R135 PolarHBondContact N-O 3.42Å; S117-R135 PolarHBondContact O-N 3.03Å
136K94.3Very high87.7Confident71 Ų7165.8 Ų65.831%0.30935%0.352SS..EExtended strand (participates in β ladder)trans-129120.3170.9-176.5176.6-175171.90109.9S144 C184K136-S144 PolarHBondContact N-O 3.32Å; K136-S144 PolarHBondContact O-N 3.2Å; K136-S144 PolarHBondContact O-OG 3.21Å; K136-C184 HydrophobicContact CD-CB 3.99Å
137T88.9Confident88.7Confident41 Ų4164.6 Ų64.625%0.25235%0.349SS..EExtended strand (participates in β ladder)trans-84.5134.9162.1-520000108.6T115 C143T115-T137 WeakPolarHBondContact OG1-CB 3.43Å; T115-T137 PolarHBondContact OG1-N 2.77Å; T115-T137 VanDerWaalsContact OG1-N 3.1Å; T115-T137 PolarHBondContact OG1-OG1 2.94Å; T137-C143 PolarHBondContact OG1-SG 2.97Å
138S83Confident89.7Confident43 Ų4359.8 Ų59.830%0.30131%0.313SS..  trans-100.5159173.459.20000110.3Q140 D141 R142S138-Q140 PolarHBondContact O-N 2.78Å; S138-D141 PolarHBondContact O-N 2.85Å; S138-R142 PolarHBondContact N-O 2.74Å; S138-R142 PolarHBondContact OG-O 3.3Å
139D75.6Confident90.6Very high177 Ų17763.7 Ų63.795%0.94731%0.313SS*.THydrogen-bonded Turntrans-58.2-15.5-178.4-66.2-32.7000114.4D141D139-D141 VanDerWaalsContact C-N 3.3Å; D139-D141 PolarHBondContact O-N 2.81Å
140Q77.8Confident91Very high160 Ų16063.2 Ų63.275%0.74831%0.309SS*.THydrogen-bonded Turntrans-91.723.2174.9-64.2-171.8-15.500113.2S138 R142S138-Q140 PolarHBondContact O-N 2.78Å; Q140-R142 PolarHBondContact O-N 3.49Å
141D69Low90.9Very high147 Ų14764.9 Ų64.979%0.78632%0.317SS*.SBendtrans56.811.1-175.6-86-26.9000115.5S138 D139 C143S138-D141 PolarHBondContact O-N 2.85Å; D139-D141 VanDerWaalsContact C-N 3.3Å; D139-D141 PolarHBondContact O-N 2.81Å; D141-C143 PolarHBondContact O-N 3.44Å
142R83.4Confident90.7Very high183 Ų18368.8 Ų68.869%0.69133%0.334SS*.  trans-83.4110.6174.4-61.3-170.772.8-164.52.4109S138 Q140S138-R142 PolarHBondContact N-O 2.74Å; S138-R142 PolarHBondContact OG-O 3.3Å; Q140-R142 PolarHBondContact O-N 3.49Å
143C88.3Confident90.4Very high54 Ų5472.1 Ų72.137%0.36535%0.351SS..EExtended strand (participates in β ladder)trans-77.9132168.6-67.20000109.9L109 T137 D141L109-C143 HydrophobicContact CD2-CB 3.65Å; T137-C143 PolarHBondContact OG1-SG 2.97Å; D141-C143 PolarHBondContact O-N 3.44Å
144S93.8Very high90.1Very high53 Ų5382.1 Ų82.137%0.37140%0.398SS..EExtended strand (participates in β ladder)trans-139.5162.417866.50000110.7K136K136-S144 PolarHBondContact N-O 3.32Å; K136-S144 PolarHBondContact O-N 3.2Å; K136-S144 PolarHBondContact O-OG 3.21Å
145V96.9Very high89.8Confident23 Ų2387 Ų8714%0.13942%0.424CS..EExtended strand (participates in β ladder)trans-120.6125.1176.5176.50000108.8E105 L108 L109 V134E105-V145 HydrophobicContact CB-CG2 4.44Å; E105-V145 HydrophobicContact CG-CB 4.02Å; E105-V145 HydrophobicContact CG-CG1 4.16Å; E105-V145 HydrophobicContact CG-CG2 4.49Å; L108-V145 HydrophobicContact CB-CG2 3.92Å; L108-V145 HydrophobicContact CD1-CG1 3.73Å; L108-V145 HydrophobicContact CD1-CG2 4.22Å; L109-V145 HydrophobicContact CD2-CG2 4.2Å; L109-V145 HydrophobicContact CG-CG2 4.11Å; V134-V145 CarbonylContact O-C 3.57Å; V134-V145 WeakPolarHBondContact O-CA 3.32Å
146K96.6Very high89.5Confident97 Ų9787.1 Ų87.142%0.42243%0.432SS..EExtended strand (participates in β ladder)trans-97.2144.2172.3-70.5-154.4-173.1-175.80110.3S133 V134 Y148 C184S133-K146 CarbonylContact C-O 3.57Å; S133-K146 WeakPolarHBondContact CA-O 3.37Å; V134-K146 PolarHBondContact N-O 2.83Å; V134-K146 PolarHBondContact O-N 2.94Å; K146-Y148 HydrophobicContact CB-CE2 3.95Å; K146-C184 HydrophobicContact CD-CB 3.67Å
147H96.1Very high89.5Confident44 Ų4488.8 Ų88.820%0.20444%0.436CS..EExtended strand (participates in β ladder)trans-118.2126.1-179.9-59.3-98000109.7E105 R121 L132 S133E105-H147 WeakPolarHBondContact CG-NE2 3.26Å; E105-H147 IonicContact OE1-CD2 3.89Å; E105-H147 IonicContact OE1-CE1 3.37Å; E105-H147 IonicContact OE1-NE2 2.7Å; E105-H147 PolarHBondContact OE1-NE2 2.93Å; R121-H147 PolarHBondContact NH2-ND1 2.75Å; L132-H147 CarbonylContact O-C 3.57Å; L132-H147 WeakPolarHBondContact O-CA 3.32Å; S133-H147 PolarHBondContact OG-CE1 3.4Å; S133-H147 VanDerWaalsContact OG-CE1 3.24Å; S133-H147 PolarHBondContact OG-ND1 3.25Å
148Y95.8Very high89.8Confident36 Ų3687.7 Ų87.714%0.14143%0.428CS..EExtended strand (participates in β ladder)trans-111.4134.2175-54.5-88.6000109S131 L132 V134 K146 I160 L183 C184S131-Y148 CarbonylContact C-O 3.58Å; S131-Y148 VanDerWaalsContact CA-O 3.29Å; S131-Y148 WeakPolarHBondContact CA-O 3.36Å; L132-Y148 HydrophobicContact CD2-CD2 4.28Å; L132-Y148 HydrophobicContact CG-CD2 4.43Å; L132-Y148 PolarHBondContact N-O 3.48Å; L132-Y148 PolarHBondContact O-N 2.48Å; V134-Y148 HydrophobicContact CB-CE2 4.39Å; V134-Y148 HydrophobicContact CG2-CD2 4.14Å; V134-Y148 HydrophobicContact CG2-CE2 3.93Å; K146-Y148 HydrophobicContact CB-CE2 3.95Å; Y148-I160 HydrophobicContact CD1-CG2 4.46Å; Y148-L183 HydrophobicContact CD1-CD2 3.51Å; Y148-L183 HydrophobicContact CD2-CD2 3.79Å; Y148-L183 HydrophobicContact CE1-CD2 3.57Å; Y148-L183 HydrophobicContact CE2-CD2 3.85Å; Y148-L183 HydrophobicContact CG-CD2 3.63Å; Y148-C184 WeakPolarHBondContact OH-CB 3.34Å; Y148-C184 PolarHBondContact OH-N 2.7Å; Y148-C184 PolarHBondContact OH-SG 2.87Å
149R94.5Very high90.4Very high132 Ų13286.6 Ų86.650%0.49842%0.418SS..EExtended strand (participates in β ladder)trans-81.6121.1178.3175162.2140.4160.5150.5108.6R126 Q151R126-R149 VanDerWaalsContact CZ-NE 3.32Å; R126-R149 VanDerWaalsContact NH2-CG 3.32Å; R126-R149 VanDerWaalsContact NH2-CZ 3.34Å; R149-Q151 HydrophobicContact CG-CG 4.18Å
150I95.5Very high91.3Very high0 Ų079.8 Ų79.80%038%0.382CS..EExtended strand (participates in β ladder)trans-95.2121.2171.3-59.7162.1000107V120 H130 L132 H158 F159 I160 L169 L172V120-I150 HydrophobicContact CG1-CD1 4.03Å; V120-I150 HydrophobicContact CG2-CD1 4.48Å; H130-I150 HydrophobicContact CB-CB 3.92Å; H130-I150 HydrophobicContact CB-CD1 4.03Å; H130-I150 HydrophobicContact CB-CG2 4.3Å; H130-I150 PolarHBondContact N-O 3.12Å; H130-I150 PolarHBondContact O-N 2.82Å; H130-I150 VanDerWaalsContact O-O 3.12Å; L132-I150 HydrophobicContact CB-CD1 3.87Å; L132-I150 HydrophobicContact CB-CG1 4.28Å; I150-H158 HydrophobicContact CG2-CB 3.9Å; I150-F159 WeakPolarHBondContact CA-O 3.38Å; I150-I160 HydrophobicContact CG1-CD1 4.11Å; I150-I160 HydrophobicContact CG1-CG1 3.77Å; I150-L169 HydrophobicContact CD1-CD2 4.09Å; I150-L169 HydrophobicContact CG2-CD2 3.99Å; I150-L172 HydrophobicContact CD1-CD2 4.49Å; I150-L172 HydrophobicContact CG1-CD1 4.41Å; I150-L172 HydrophobicContact CG2-CD1 4.06Å
151Q92.1Very high92Very high67 Ų6774.2 Ų74.231%0.31336%0.36SS..EExtended strand (participates in β ladder)trans-98.3152.5174.1-61.5-171.2-94.400109.6R149 H158 F159R149-Q151 HydrophobicContact CG-CG 4.18Å; Q151-H158 CarbonylContact O-C 3.51Å; Q151-H158 VanDerWaalsContact O-CA 3.27Å; Q151-H158 WeakPolarHBondContact O-CA 3.31Å; Q151-F159 HydrophobicContact CB-CD1 4.16Å; Q151-F159 HydrophobicContact CB-CD2 4.47Å; Q151-F159 HydrophobicContact CB-CE1 3.63Å; Q151-F159 HydrophobicContact CB-CE2 3.99Å; Q151-F159 HydrophobicContact CB-CZ 3.55Å; Q151-F159 HydrophobicContact CG-CE2 4.39Å; Q151-F159 HydrophobicContact CG-CZ 4.23Å; Q151-F159 PolarHBondContact N-O 3Å; Q151-F159 PolarHBondContact O-N 3.25Å
152Q91.9Very high92.8Very high94 Ų9472 Ų7244%0.43935%0.354SS..EExtended strand (participates in β ladder)trans-114.4133.8174-170.2175.1-2.400108.2G128 W157G128-Q152 PolarHBondContact O-OE1 2.84Å; Q152-W157 CarbonylContact C-O 3.58Å; Q152-W157 VanDerWaalsContact CA-O 3.3Å; Q152-W157 WeakPolarHBondContact CA-O 3.29Å
153L91.3Very high93.2Very high71 Ų7168.8 Ų68.837%0.37236%0.358SS..  trans-82.1165.1173.2-70.3165.4000110N155 G156 W157 F159 T165L153-N155 WeakPolarHBondContact CB-OD1 3.38Å; L153-N155 PolarHBondContact O-N 3.48Å; L153-G156 PolarHBondContact O-N 3.05Å; L153-W157 HydrophobicContact CD1-CB 4.13Å; L153-W157 PolarHBondContact N-O 2.86Å; L153-F159 HydrophobicContact CD1-CD1 4.11Å; L153-F159 HydrophobicContact CD1-CE1 4.37Å; L153-F159 HydrophobicContact CD2-CD1 4.29Å; L153-F159 HydrophobicContact CD2-CE1 3.72Å; L153-F159 HydrophobicContact CG-CD1 3.85Å; L153-F159 HydrophobicContact CG-CE1 3.71Å; L153-T165 HydrophobicContact CD1-CG2 3.83Å
154E91.3Very high93.4Very high209 Ų20968.7 Ų68.798%0.97735%0.354SS*.THydrogen-bonded Turntrans-61.9-29.9178.7-63.7178.9179.500112.8G156E154-G156 PolarHBondContact O-N 3.02Å
155N92.6Very high93.5Very high103 Ų10368.7 Ų68.755%0.55135%0.351SS*.THydrogen-bonded Turntrans-77.55.1174.570.3-7.3000113.7L153 W157L153-N155 WeakPolarHBondContact CB-OD1 3.38Å; L153-N155 PolarHBondContact O-N 3.48Å; N155-W157 VanDerWaalsContact C-N 3.34Å; N155-W157 PolarHBondContact O-N 3.03Å; N155-W157 WeakPolarHBondContact OD1-CB 3.4Å; N155-W157 PolarHBondContact OD1-N 3.19Å
156G91.3Very high93.5Very high24 Ų2468.5 Ų68.525%0.24735%0.349CS..SBendtrans86.2-6.2179.600000115.4L153 E154L153-G156 PolarHBondContact O-N 3.05Å; E154-G156 PolarHBondContact O-N 3.02Å
157W94.8Very high93.5Very high106 Ų10667.4 Ų67.440%0.40235%0.351SS..  trans-74.6151.3-178-70.731.9000111.8Q152 L153 N155 F166Q152-W157 CarbonylContact C-O 3.58Å; Q152-W157 VanDerWaalsContact CA-O 3.3Å; Q152-W157 WeakPolarHBondContact CA-O 3.29Å; L153-W157 HydrophobicContact CD1-CB 4.13Å; L153-W157 PolarHBondContact N-O 2.86Å; N155-W157 VanDerWaalsContact C-N 3.34Å; N155-W157 PolarHBondContact O-N 3.03Å; N155-W157 WeakPolarHBondContact OD1-CB 3.4Å; N155-W157 PolarHBondContact OD1-N 3.19Å; W157-F166 CarbonylContact C-O 3.55Å; W157-F166 VanDerWaalsContact CA-O 3.26Å; W157-F166 WeakPolarHBondContact CA-O 3.31Å; W157-F166 WeakPolarHBondContact CB-O 3.5Å
158H94.8Very high93.4Very high18 Ų1868.5 Ų68.58%0.08336%0.362CS..EExtended strand (participates in β ladder)trans-109.3147-176.7-58.9-73.4000112.1I150 Q151 T165 F166 L169 L172I150-H158 HydrophobicContact CG2-CB 3.9Å; Q151-H158 CarbonylContact O-C 3.51Å; Q151-H158 VanDerWaalsContact O-CA 3.27Å; Q151-H158 WeakPolarHBondContact O-CA 3.31Å; H158-T165 CarbonylContact O-C 3.54Å; H158-T165 WeakPolarHBondContact O-CA 3.2Å; H158-F166 PolarHBondContact N-O 2.9Å; H158-F166 PolarHBondContact O-N 3.21Å; H158-L169 HydrophobicContact CB-CD2 4.32Å; H158-L172 HydrophobicContact CB-CD1 4.1Å
159F94.8Very high93.3Very high21 Ų2167.3 Ų67.39%0.09236%0.358CS..EExtended strand (participates in β ladder)trans-152154.5173.369.4-86.7000112.6I150 Q151 L153 P162 L164 T165I150-F159 WeakPolarHBondContact CA-O 3.38Å; Q151-F159 HydrophobicContact CB-CD1 4.16Å; Q151-F159 HydrophobicContact CB-CD2 4.47Å; Q151-F159 HydrophobicContact CB-CE1 3.63Å; Q151-F159 HydrophobicContact CB-CE2 3.99Å; Q151-F159 HydrophobicContact CB-CZ 3.55Å; Q151-F159 HydrophobicContact CG-CE2 4.39Å; Q151-F159 HydrophobicContact CG-CZ 4.23Å; Q151-F159 PolarHBondContact N-O 3Å; Q151-F159 PolarHBondContact O-N 3.25Å; L153-F159 HydrophobicContact CD1-CD1 4.11Å; L153-F159 HydrophobicContact CD1-CE1 4.37Å; L153-F159 HydrophobicContact CD2-CD1 4.29Å; L153-F159 HydrophobicContact CD2-CE1 3.72Å; L153-F159 HydrophobicContact CG-CD1 3.85Å; L153-F159 HydrophobicContact CG-CE1 3.71Å; F159-P162 HydrophobicContact CE2-CB 4.44Å; F159-P162 HydrophobicContact CE2-CG 4.14Å; F159-L164 WeakPolarHBondContact CB-O 3.49Å; F159-T165 HydrophobicContact CB-CG2 4.04Å; F159-T165 HydrophobicContact CG-CG2 4.47Å
160I94.9Very high93.3Very high34 Ų3463.7 Ų63.717%0.17435%0.35CS..SBendtrans-104.8-47.3165.7-65.1173.1000109.1L132 Y148 I150 L172 Y176 L183L132-I160 HydrophobicContact CB-CD1 4.42Å; L132-I160 HydrophobicContact CD2-CD1 3.75Å; Y148-I160 HydrophobicContact CD1-CG2 4.46Å; I150-I160 HydrophobicContact CG1-CD1 4.11Å; I150-I160 HydrophobicContact CG1-CG1 3.77Å; I160-L172 HydrophobicContact CD1-CD2 4.1Å; I160-L172 HydrophobicContact CG1-CD1 4.33Å; I160-Y176 HydrophobicContact CD1-CD2 4.35Å; I160-Y176 HydrophobicContact CD1-CE2 3.82Å; I160-Y176 HydrophobicContact CG1-CE2 4.44Å; I160-L183 HydrophobicContact CD1-CD2 4.2Å
161S91.6Very high93.4Very high43 Ų4365 Ų6530%0.30136%0.361SS..SBendtrans-102132.9171.3-179.60000109.6C163 L164S161-C163 PolarHBondContact O-N 2.73Å; S161-L164 PolarHBondContact O-N 2.89Å; S161-L164 VanDerWaalsContact O-O 3.11Å
162P87.2Confident93.6Very high101 Ų10161.8 Ų61.866%0.65635%0.346SS*.THydrogen-bonded Turntrans-57.3-22.4-178.4-25.834.2000115F159 L164F159-P162 HydrophobicContact CE2-CB 4.44Å; F159-P162 HydrophobicContact CE2-CG 4.14Å; P162-L164 VanDerWaalsContact C-N 3.33Å
163C90.5Very high93.8Very high115 Ų11558 Ų5878%0.77733%0.329SS*.THydrogen-bonded Turntrans-81.5-11.5179.2-56.40000113.6S161S161-C163 PolarHBondContact O-N 2.73Å
164L94Very high94Very high52 Ų5258.8 Ų58.827%0.27233%0.334SS..  trans-130.1100.7-174.9-65.9174.3000109.6F159 S161 P162 F166 D181F159-L164 WeakPolarHBondContact CB-O 3.49Å; S161-L164 PolarHBondContact O-N 2.89Å; S161-L164 VanDerWaalsContact O-O 3.11Å; P162-L164 VanDerWaalsContact C-N 3.33Å; L164-F166 HydrophobicContact CB-CE2 4.1Å; L164-F166 HydrophobicContact CB-CZ 4.15Å; L164-F166 WeakPolarHBondContact O-CE2 3.18Å; L164-D181 HydrophobicContact CD1-CB 3.75Å; L164-D181 WeakPolarHBondContact CD1-OD2 3.28Å
165T96.1Very high94.3Very high52 Ų5251.3 Ų51.332%0.31930%0.299SS..EExtended strand (participates in β ladder)trans-112.7145.1-177.6600000110.7L153 H158 F159L153-T165 HydrophobicContact CD1-CG2 3.83Å; H158-T165 CarbonylContact O-C 3.54Å; H158-T165 WeakPolarHBondContact O-CA 3.2Å; F159-T165 HydrophobicContact CB-CG2 4.04Å; F159-T165 HydrophobicContact CG-CG2 4.47Å
166F96.6Very high94.5Very high20 Ų2046.5 Ų46.59%0.08827%0.273CS..EExtended strand (participates in β ladder)trans-132.8141.2-172.7-56.5-81.6000110.7W157 H158 L164 T168 A171 L172 H175 Y176W157-F166 CarbonylContact C-O 3.55Å; W157-F166 VanDerWaalsContact CA-O 3.26Å; W157-F166 WeakPolarHBondContact CA-O 3.31Å; W157-F166 WeakPolarHBondContact CB-O 3.5Å; H158-F166 PolarHBondContact N-O 2.9Å; H158-F166 PolarHBondContact O-N 3.21Å; L164-F166 HydrophobicContact CB-CE2 4.1Å; L164-F166 HydrophobicContact CB-CZ 4.15Å; L164-F166 WeakPolarHBondContact O-CE2 3.18Å; F166-T168 VanDerWaalsContact C-N 3.31Å; F166-T168 PolarHBondContact O-N 2.94Å; F166-A171 HydrophobicContact CB-CB 4.37Å; F166-L172 HydrophobicContact CB-CB 3.95Å; F166-L172 HydrophobicContact CD2-CB 3.7Å; F166-L172 HydrophobicContact CD2-CD1 3.83Å; F166-L172 HydrophobicContact CD2-CG 3.69Å; F166-L172 HydrophobicContact CE2-CB 4.36Å; F166-L172 HydrophobicContact CE2-CD1 4.38Å; F166-L172 HydrophobicContact CE2-CG 4.02Å; F166-L172 HydrophobicContact CG-CB 3.8Å; F166-L172 HydrophobicContact CG-CG 4.32Å; F166-H175 HydrophobicContact CD1-CB 4.35Å; F166-H175 HydrophobicContact CE1-CB 3.42Å; F166-H175 VanDerWaalsContact CE1-CB 3.42Å; F166-H175 AromaticContact CE1-CG 3.52Å; F166-H175 AromaticContact CE1-ND1 3.86Å; F166-H175 HydrophobicContact CZ-CB 3.73Å; F166-H175 AromaticContact CZ-CD2 3.67Å; F166-H175 AromaticContact CZ-CG 3.51Å; F166-Y176 HydrophobicContact CE2-CE2 4.08Å; F166-Y176 HydrophobicContact CZ-CE2 4.44Å
167P95.8Very high94.8Very high73 Ų7347.8 Ų47.847%0.47428%0.278SS..SBendtrans-70.2-27-179.527.8-35000113.2A171P167-A171 HydrophobicContact CG-CB 4.31Å
168T94.4Very high94.9Very high68 Ų6850.1 Ų50.142%0.41729%0.293SS..SBendtrans-139.6158-178.866.20000111.2F166 T170 A171 L172F166-T168 VanDerWaalsContact C-N 3.31Å; F166-T168 PolarHBondContact O-N 2.94Å; T168-T170 PolarHBondContact O-N 2.73Å; T168-A171 PolarHBondContact O-N 2.89Å; T168-A171 WeakPolarHBondContact OG1-CB 3.45Å; T168-A171 PolarHBondContact OG1-N 3.35Å; T168-A171 VanDerWaalsContact OG1-N 3.1Å; T168-L172 PolarHBondContact O-N 2.86Å; T168-L172 VanDerWaalsContact O-N 3.11Å
169L94.2Very high94.9Very high11 Ų1152.1 Ų52.16%0.05831%0.307CS..Hα-helixtrans-60.3-33.2172-69.8174.6000112.2Q95 V120 H130 I150 H158 L172 V173Q95-L169 HydrophobicContact CG-CD1 4.37Å; V120-L169 HydrophobicContact CG1-CD1 4.19Å; V120-L169 HydrophobicContact CG1-CD2 4.43Å; H130-L169 HydrophobicContact CB-CD2 4.34Å; I150-L169 HydrophobicContact CD1-CD2 4.09Å; I150-L169 HydrophobicContact CG2-CD2 3.99Å; H158-L169 HydrophobicContact CB-CD2 4.32Å; L169-L172 WeakPolarHBondContact O-CB 3.11Å; L169-L172 PolarHBondContact O-N 2.7Å; L169-V173 WeakPolarHBondContact O-CG2 3.3Å; L169-V173 PolarHBondContact O-N 3.29Å
170T94.7Very high94.8Very high55 Ų5554 Ų5434%0.33732%0.32SS..Hα-helixtrans-63.8-48.9175.8-48.50000110.9T168 L172 V173 D174T168-T170 PolarHBondContact O-N 2.73Å; T170-L172 VanDerWaalsContact C-N 3.25Å; T170-L172 PolarHBondContact O-N 3.06Å; T170-V173 WeakPolarHBondContact O-CB 3.44Å; T170-V173 PolarHBondContact O-N 3.12Å; T170-D174 PolarHBondContact O-N 2.91Å
171A96.3Very high94.7Very high28 Ų2855.6 Ų55.623%0.23133%0.329CS..Hα-helixtrans-61.4-35.2177.400000112.5F166 P167 T168 H175F166-A171 HydrophobicContact CB-CB 4.37Å; P167-A171 HydrophobicContact CG-CB 4.31Å; T168-A171 PolarHBondContact O-N 2.89Å; T168-A171 WeakPolarHBondContact OG1-CB 3.45Å; T168-A171 PolarHBondContact OG1-N 3.35Å; T168-A171 VanDerWaalsContact OG1-N 3.1Å; A171-H175 PolarHBondContact O-N 2.9Å; A171-H175 VanDerWaalsContact O-N 3.13Å
172L96.5Very high94.7Very high0 Ų057 Ų570%035%0.35CS..Hα-helixtrans-62.2-46.9172.5-176.2154.9000111.1I150 H158 I160 F166 T168 L169 T170 Y176I150-L172 HydrophobicContact CD1-CD2 4.49Å; I150-L172 HydrophobicContact CG1-CD1 4.41Å; I150-L172 HydrophobicContact CG2-CD1 4.06Å; H158-L172 HydrophobicContact CB-CD1 4.1Å; I160-L172 HydrophobicContact CD1-CD2 4.1Å; I160-L172 HydrophobicContact CG1-CD1 4.33Å; F166-L172 HydrophobicContact CB-CB 3.95Å; F166-L172 HydrophobicContact CD2-CB 3.7Å; F166-L172 HydrophobicContact CD2-CD1 3.83Å; F166-L172 HydrophobicContact CD2-CG 3.69Å; F166-L172 HydrophobicContact CE2-CB 4.36Å; F166-L172 HydrophobicContact CE2-CD1 4.38Å; F166-L172 HydrophobicContact CE2-CG 4.02Å; F166-L172 HydrophobicContact CG-CB 3.8Å; F166-L172 HydrophobicContact CG-CG 4.32Å; T168-L172 PolarHBondContact O-N 2.86Å; T168-L172 VanDerWaalsContact O-N 3.11Å; L169-L172 WeakPolarHBondContact O-CB 3.11Å; L169-L172 PolarHBondContact O-N 2.7Å; T170-L172 VanDerWaalsContact C-N 3.25Å; T170-L172 PolarHBondContact O-N 3.06Å; L172-Y176 HydrophobicContact CD2-CD2 3.69Å; L172-Y176 HydrophobicContact CD2-CE2 3.95Å; L172-Y176 HydrophobicContact CG-CD2 4.01Å; L172-Y176 HydrophobicContact CG-CE2 3.94Å; L172-Y176 WeakPolarHBondContact O-CD2 3.49Å; L172-Y176 PolarHBondContact O-N 2.85Å
173V96.4Very high95.1Very high14 Ų1452.9 Ų52.99%0.08532%0.322CS..Hα-helixtrans-63.3-44.6178.8165.90000111.2F118 V120 L169 T170 H175 Y176 S177 L187F118-V173 HydrophobicContact CE1-CG1 4.32Å; F118-V173 HydrophobicContact CE2-CB 4.37Å; F118-V173 HydrophobicContact CE2-CG1 3.58Å; F118-V173 HydrophobicContact CE2-CG2 3.79Å; F118-V173 HydrophobicContact CZ-CG1 3.33Å; F118-V173 HydrophobicContact CZ-CG2 4.42Å; V120-V173 HydrophobicContact CG2-CG2 4.18Å; L169-V173 WeakPolarHBondContact O-CG2 3.3Å; L169-V173 PolarHBondContact O-N 3.29Å; T170-V173 WeakPolarHBondContact O-CB 3.44Å; T170-V173 PolarHBondContact O-N 3.12Å; V173-H175 VanDerWaalsContact C-N 3.35Å; V173-H175 PolarHBondContact O-N 2.91Å; V173-Y176 PolarHBondContact O-N 2.8Å; V173-S177 PolarHBondContact O-N 2.79Å; V173-L187 HydrophobicContact CB-CD1 4.48Å; V173-L187 HydrophobicContact CG1-CD1 4.27Å; V173-L187 HydrophobicContact CG2-CD1 4.44Å
174D96.4Very high95.2Very high88 Ų8848.5 Ų48.547%0.47129%0.293SS..Hα-helixtrans-58.3-47.6179.6-64.1-22.8000110.6T170 Y176 S177T170-D174 PolarHBondContact O-N 2.91Å; D174-Y176 PolarHBondContact O-N 3.48Å; D174-S177 WeakPolarHBondContact O-CB 3.32Å; D174-S177 PolarHBondContact O-N 3.17Å; D174-S177 VanDerWaalsContact O-N 3.15Å; D174-S177 PolarHBondContact O-OG 2.96Å
175H96.9Very high95.3Very high52 Ų5247.1 Ų47.124%0.24129%0.287CS..Hα-helixtrans-56.9-49.7175.9179.490.6000112.8F166 A171 V173 S177 E178 V179 D181F166-H175 HydrophobicContact CD1-CB 4.35Å; F166-H175 HydrophobicContact CE1-CB 3.42Å; F166-H175 VanDerWaalsContact CE1-CB 3.42Å; F166-H175 AromaticContact CE1-CG 3.52Å; F166-H175 AromaticContact CE1-ND1 3.86Å; F166-H175 HydrophobicContact CZ-CB 3.73Å; F166-H175 AromaticContact CZ-CD2 3.67Å; F166-H175 AromaticContact CZ-CG 3.51Å; A171-H175 PolarHBondContact O-N 2.9Å; A171-H175 VanDerWaalsContact O-N 3.13Å; V173-H175 VanDerWaalsContact C-N 3.35Å; V173-H175 PolarHBondContact O-N 2.91Å; H175-S177 PolarHBondContact O-N 2.98Å; H175-E178 PolarHBondContact O-N 2.91Å; H175-E178 VanDerWaalsContact O-N 3.15Å; H175-V179 PolarHBondContact O-N 2.9Å; H175-D181 IonicContact CD2-OD2 3.91Å; H175-D181 IonicContact CE1-OD2 3.49Å; H175-D181 PolarHBondContact CE1-OD2 2.61Å; H175-D181 IonicContact NE2-OD2 3.64Å; H175-D181 PolarHBondContact NE2-OD2 2.79Å
176Y97.2Very high95.3Very high1 Ų148.3 Ų48.30%0.00429%0.292CS..Hα-helixtrans-74.4-7.2-178.1-74.7-67.1000114I160 F166 L172 V173 D174 V179 T180 D181 L183 L187I160-Y176 HydrophobicContact CD1-CD2 4.35Å; I160-Y176 HydrophobicContact CD1-CE2 3.82Å; I160-Y176 HydrophobicContact CG1-CE2 4.44Å; F166-Y176 HydrophobicContact CE2-CE2 4.08Å; F166-Y176 HydrophobicContact CZ-CE2 4.44Å; L172-Y176 HydrophobicContact CD2-CD2 3.69Å; L172-Y176 HydrophobicContact CD2-CE2 3.95Å; L172-Y176 HydrophobicContact CG-CD2 4.01Å; L172-Y176 HydrophobicContact CG-CE2 3.94Å; L172-Y176 WeakPolarHBondContact O-CD2 3.49Å; L172-Y176 PolarHBondContact O-N 2.85Å; V173-Y176 PolarHBondContact O-N 2.8Å; D174-Y176 PolarHBondContact O-N 3.48Å; Y176-V179 VanDerWaalsContact CA-O 3.31Å; Y176-V179 WeakPolarHBondContact CA-O 3.42Å; Y176-T180 WeakPolarHBondContact CD1-O 3.37Å; Y176-T180 WeakPolarHBondContact CE1-O 3.21Å; Y176-D181 HydrophobicContact CE1-CB 3.89Å; Y176-L183 HydrophobicContact CD1-CD1 3.29Å; Y176-L183 HydrophobicContact CD1-CD2 4.41Å; Y176-L183 HydrophobicContact CD1-CG 3.48Å; Y176-L183 VanDerWaalsContact CD1-CG 3.48Å; Y176-L183 HydrophobicContact CD2-CD1 4.2Å; Y176-L183 HydrophobicContact CE1-CD1 3.9Å; Y176-L183 HydrophobicContact CE1-CD2 4.18Å; Y176-L183 HydrophobicContact CE1-CG 3.61Å; Y176-L183 HydrophobicContact CG-CD1 3.47Å; Y176-L183 VanDerWaalsContact CG-CD1 3.47Å; Y176-L183 HydrophobicContact CG-CG 4.15Å; Y176-L187 PolarHBondContact O-N 2.66Å
177S96.4Very high95.3Very high51 Ų5147.7 Ų47.736%0.35729%0.289SS..Hα-helixtrans-77.7-28.4169.580.30000112.5V173 D174 H175 L187V173-S177 PolarHBondContact O-N 2.79Å; D174-S177 WeakPolarHBondContact O-CB 3.32Å; D174-S177 PolarHBondContact O-N 3.17Å; D174-S177 VanDerWaalsContact O-N 3.15Å; D174-S177 PolarHBondContact O-OG 2.96Å; H175-S177 PolarHBondContact O-N 2.98Å; S177-L187 WeakPolarHBondContact CA-O 3.5Å
178E96.6Very high95.4Very high155 Ų15546.1 Ų46.172%0.72429%0.286SS*.Hα-helixtrans-95.5-38.5-180-62.5-177-179.600112.2H175 L186H175-E178 PolarHBondContact O-N 2.91Å; H175-E178 VanDerWaalsContact O-N 3.15Å; E178-L186 VanDerWaalsContact C-CD2 3.45Å; E178-L186 WeakPolarHBondContact O-CD2 3.47Å
179V95.6Very high95.4Very high61 Ų6149 Ų4937%0.3730%0.295SS..  trans-132.8137.6-174.2-169.40000111.4H175 Y176 D181H175-V179 PolarHBondContact O-N 2.9Å; Y176-V179 VanDerWaalsContact CA-O 3.31Å; Y176-V179 WeakPolarHBondContact CA-O 3.42Å; V179-D181 VanDerWaalsContact CG1-OD1 3.23Å; V179-D181 WeakPolarHBondContact CG1-OD1 3.49Å
180T93.1Very high95.6Very high59 Ų5949.6 Ų49.636%0.36230%0.3SS..  trans-74.4-37.9-177.453.90000113.6Y176 G182 L183 L186Y176-T180 WeakPolarHBondContact CD1-O 3.37Å; Y176-T180 WeakPolarHBondContact CE1-O 3.21Å; T180-G182 PolarHBondContact O-N 2.8Å; T180-L183 VanDerWaalsContact O-CB 3.25Å; T180-L183 WeakPolarHBondContact O-CB 3.37Å; T180-L183 WeakPolarHBondContact O-CG 3.33Å; T180-L183 PolarHBondContact O-N 3.03Å; T180-L186 HydrophobicContact CG2-CD2 3.58Å; T180-L186 HydrophobicContact CG2-CG 3.75Å
181D93.1Very high95.7Very high69 Ų6947.2 Ų47.237%0.36929%0.285SS..THydrogen-bonded Turntrans37.847.5-179.4-72.7-16.8000115.8L164 H175 Y176 V179L164-D181 HydrophobicContact CD1-CB 3.75Å; L164-D181 WeakPolarHBondContact CD1-OD2 3.28Å; H175-D181 IonicContact CD2-OD2 3.91Å; H175-D181 IonicContact CE1-OD2 3.49Å; H175-D181 PolarHBondContact CE1-OD2 2.61Å; H175-D181 IonicContact NE2-OD2 3.64Å; H175-D181 PolarHBondContact NE2-OD2 2.79Å; Y176-D181 HydrophobicContact CE1-CB 3.89Å; V179-D181 VanDerWaalsContact CG1-OD1 3.23Å; V179-D181 WeakPolarHBondContact CG1-OD1 3.49Å
182G91.4Very high95.6Very high72 Ų7249.7 Ų49.774%0.74229%0.29SS*.THydrogen-bonded Turntrans93.2-5.1178.500000115.4T180T180-G182 PolarHBondContact O-N 2.8Å
183L94.8Very high95.5Very high14 Ų1450.4 Ų50.47%0.07329%0.294CS..SBendtrans-69.1162.1164.1-57.6-167.6000111L132 Y148 I160 Y176 T180 C185 L187L132-L183 HydrophobicContact CD2-CD1 3.91Å; Y148-L183 HydrophobicContact CD1-CD2 3.51Å; Y148-L183 HydrophobicContact CD2-CD2 3.79Å; Y148-L183 HydrophobicContact CE1-CD2 3.57Å; Y148-L183 HydrophobicContact CE2-CD2 3.85Å; Y148-L183 HydrophobicContact CG-CD2 3.63Å; I160-L183 HydrophobicContact CD1-CD2 4.2Å; Y176-L183 HydrophobicContact CD1-CD1 3.29Å; Y176-L183 HydrophobicContact CD1-CD2 4.41Å; Y176-L183 HydrophobicContact CD1-CG 3.48Å; Y176-L183 VanDerWaalsContact CD1-CG 3.48Å; Y176-L183 HydrophobicContact CD2-CD1 4.2Å; Y176-L183 HydrophobicContact CE1-CD1 3.9Å; Y176-L183 HydrophobicContact CE1-CD2 4.18Å; Y176-L183 HydrophobicContact CE1-CG 3.61Å; Y176-L183 HydrophobicContact CG-CD1 3.47Å; Y176-L183 VanDerWaalsContact CG-CD1 3.47Å; Y176-L183 HydrophobicContact CG-CG 4.15Å; T180-L183 VanDerWaalsContact O-CB 3.25Å; T180-L183 WeakPolarHBondContact O-CB 3.37Å; T180-L183 WeakPolarHBondContact O-CG 3.33Å; T180-L183 PolarHBondContact O-N 3.03Å; L183-C185 VanDerWaalsContact C-N 3.3Å; L183-C185 PolarHBondContact O-N 3.13Å; L183-L187 HydrophobicContact CD1-CD2 4.17Å; L183-L187 HydrophobicContact CD1-CG 4.37Å
184C93.4Very high95.3Very high24 Ų2452.7 Ų52.716%0.16230%0.304CS..SBendtrans-76.9-16.8-175.561.70000115.2K136 K146 Y148K136-C184 HydrophobicContact CD-CB 3.99Å; K146-C184 HydrophobicContact CD-CB 3.67Å; Y148-C184 WeakPolarHBondContact OH-CB 3.34Å; Y148-C184 PolarHBondContact OH-N 2.7Å; Y148-C184 PolarHBondContact OH-SG 2.87Å
185C94.8Very high94.6Very high22 Ų2249.1 Ų49.115%0.14929%0.288CS..SBendtrans-168.6166.5176.955.70000108T115 L183T115-C185 HydrophobicContact CG2-CB 4.46Å; L183-C185 VanDerWaalsContact C-N 3.3Å; L183-C185 PolarHBondContact O-N 3.13Å
186L97Very high93.3Very high78 Ų7849 Ų4941%0.40829%0.294SS..  trans-64.3150.3171.5-66.5172.9000110.4G116 E178 T180 G188G116-L186 WeakPolarHBondContact CA-O 3.34Å; E178-L186 VanDerWaalsContact C-CD2 3.45Å; E178-L186 WeakPolarHBondContact O-CD2 3.47Å; T180-L186 HydrophobicContact CG2-CD2 3.58Å; T180-L186 HydrophobicContact CG2-CG 3.75Å; L186-G188 PolarHBondContact O-N 3.36Å
187L97.4Very high91.3Very high7 Ų756 Ų564%0.03733%0.331CS..  trans-73.9124.1169-58.2-173.2000108.9F118 L132 V134 V173 Y176 S177 L183F118-L187 HydrophobicContact CB-CD2 3.9Å; F118-L187 HydrophobicContact CD1-CB 3.87Å; F118-L187 HydrophobicContact CD1-CD2 4.28Å; F118-L187 HydrophobicContact CD1-CG 4.44Å; F118-L187 HydrophobicContact CD2-CD1 4.25Å; F118-L187 HydrophobicContact CE1-CB 4.06Å; F118-L187 HydrophobicContact CE2-CD1 4.41Å; F118-L187 HydrophobicContact CG-CB 4.37Å; F118-L187 HydrophobicContact CG-CD1 4.33Å; F118-L187 HydrophobicContact CG-CD2 4Å; F118-L187 HydrophobicContact CG-CG 4.46Å; L132-L187 HydrophobicContact CD1-CD1 4.26Å; L132-L187 HydrophobicContact CD1-CD2 4.38Å; L132-L187 HydrophobicContact CD2-CD1 4.23Å; L132-L187 HydrophobicContact CD2-CD2 4.23Å; V134-L187 HydrophobicContact CG1-CD2 4.06Å; V134-L187 HydrophobicContact CG2-CD2 3.64Å; V173-L187 HydrophobicContact CB-CD1 4.48Å; V173-L187 HydrophobicContact CG1-CD1 4.27Å; V173-L187 HydrophobicContact CG2-CD1 4.44Å; Y176-L187 PolarHBondContact O-N 2.66Å; S177-L187 WeakPolarHBondContact CA-O 3.5Å; L183-L187 HydrophobicContact CD1-CD2 4.17Å; L183-L187 HydrophobicContact CD1-CG 4.37Å
188G95.9Very high88.8Confident40 Ų4056.3 Ų56.341%0.41233%0.333SS..  trans-98.2-126.4175.800000110.5G116 F118 L186G116-G188 PolarHBondContact O-N 3.11Å; F118-G188 VanDerWaalsContact CE1-O 3.29Å; F118-G188 WeakPolarHBondContact CE1-O 3.32Å; L186-G188 PolarHBondContact O-N 3.36Å
189E96.3Very high86Confident127 Ų12755.2 Ų55.259%0.59333%0.33SS*.SBendtrans-77.2145.8176.7-70.8-62.5143.100112.5R93 S117 F118R93-E189 IonicContact NH2-OE2 2.89Å; S117-E189 WeakPolarHBondContact CA-O 3.04Å; F118-E189 PolarHBondContact N-O 2.78Å
190P96.8Very high83.3Confident25 Ų2557.6 Ų57.616%0.16235%0.347CS..BIsolated β-bridgetrans-53.4156166.7-25.334.9000112.3R93 C94 F118 F192R93-P190 HydrophobicContact CB-CG 4.47Å; C94-P190 HydrophobicContact CB-CB 4.02Å; C94-P190 HydrophobicContact CB-CG 4.36Å; F118-P190 HydrophobicContact CE1-CG 4.25Å; F118-P190 HydrophobicContact CZ-CG 4.15Å; F118-P190 CarbonylContact O-C 3.52Å; F118-P190 WeakPolarHBondContact O-CA 3.47Å; P190-F192 PolarHBondContact O-N 2.82Å; P190-F192 VanDerWaalsContact O-N 3.13Å
191C96.9Very high80.8Confident4 Ų460.7 Ų60.73%0.02737%0.366CS..PPolyproline II helixtrans-50.6123175.3-177.10000110.2L108 N113 F118 L119 I193L108-C191 HydrophobicContact CD2-CB 3.81Å; N113-C191 WeakPolarHBondContact OD1-CA 3.05Å; F118-C191 PolarHBondContact O-N 2.96Å; L119-C191 HydrophobicContact CB-CB 4.11Å; L119-C191 HydrophobicContact CD2-CB 4Å; C191-I193 PolarHBondContact O-N 3.16Å
192F95.3Very high78.2Confident80 Ų8061.4 Ų61.435%0.35138%0.381SS..PPolyproline II helixtrans-60128.4-175.2-178.3-97.5000111.2N112 N113 P190 Q194N112-F192 HydrophobicContact CB-CB 3.98Å; N112-F192 HydrophobicContact CB-CD1 3.39Å; N112-F192 HydrophobicContact CB-CD2 4.36Å; N112-F192 HydrophobicContact CB-CE1 3.9Å; N112-F192 HydrophobicContact CB-CG 3.65Å; N113-F192 WeakPolarHBondContact OD1-CB 3.42Å; N113-F192 PolarHBondContact OD1-N 2.79Å; P190-F192 PolarHBondContact O-N 2.82Å; P190-F192 VanDerWaalsContact O-N 3.13Å; F192-Q194 HydrophobicContact CE1-CB 3.93Å
193I94.4Very high75.9Confident15 Ų1564.7 Ų64.78%0.07739%0.387CS..  trans-110.7113173.5-59.6168.7000108.1V36 V38 G56 R58 V90 Y96 C191 S196V36-I193 HydrophobicContact CG2-CD1 3.98Å; V38-I193 HydrophobicContact CG2-CB 4.47Å; V38-I193 HydrophobicContact CG2-CD1 3.69Å; V38-I193 HydrophobicContact CG2-CG1 3.92Å; V38-I193 HydrophobicContact CG2-CG2 3.7Å; G56-I193 WeakPolarHBondContact O-CA 3.47Å; R58-I193 HydrophobicContact CB-CG2 3.83Å; V90-I193 HydrophobicContact CB-CD1 4.44Å; V90-I193 HydrophobicContact CG1-CD1 4.26Å; V90-I193 HydrophobicContact CG2-CD1 4.32Å; Y96-I193 WeakPolarHBondContact OH-CG1 3.43Å; C191-I193 PolarHBondContact O-N 3.16Å; I193-S196 WeakPolarHBondContact O-CB 3.46Å; I193-S196 PolarHBondContact O-N 3.5Å; I193-S196 PolarHBondContact O-OG 2.94Å
194Q90.9Very high74Confident62 Ų6266 Ų6629%0.2940%0.403SS..BIsolated β-bridgetrans-66.2140.1178.7-177.2-178.5-23.300110.6G56 E57 R58 A75 F192 S196G56-Q194 PolarHBondContact O-N 2.75Å; E57-Q194 HydrophobicContact CB-CB 4.33Å; E57-Q194 HydrophobicContact CG-CB 4.15Å; E57-Q194 HydrophobicContact CG-CG 4.24Å; R58-Q194 WeakPolarHBondContact CB-O 3.49Å; R58-Q194 PolarHBondContact N-O 3.16Å; A75-Q194 HydrophobicContact CB-CG 4.29Å; F192-Q194 HydrophobicContact CE1-CB 3.93Å; Q194-S196 VanDerWaalsContact C-N 3.29Å; Q194-S196 PolarHBondContact O-N 3.12Å
195G82.7Confident71.7Confident14 Ų1471 Ų7114%0.14444%0.436CS..THydrogen-bonded Turntrans77.511.6-179.900000114.4N197 S198G195-N197 VanDerWaalsContact C-N 3.26Å; G195-S198 PolarHBondContact O-OG 3.04Å
196S68.9Low69.3Low50 Ų5077.2 Ų77.235%0.3547%0.466SS..THydrogen-bonded Turntrans-69.5-22.8170.649.70000113.1I193 Q194I193-S196 WeakPolarHBondContact O-CB 3.46Å; I193-S196 PolarHBondContact O-N 3.5Å; I193-S196 PolarHBondContact O-OG 2.94Å; Q194-S196 VanDerWaalsContact C-N 3.29Å; Q194-S196 PolarHBondContact O-N 3.12Å
197N54.8Low66.8Low148 Ų14878.9 Ų78.979%0.79148%0.482SS*.THydrogen-bonded Turntrans-92-6.6-179-63.5-7000114.3G195 I199G195-N197 VanDerWaalsContact C-N 3.26Å; N197-I199 PolarHBondContact O-N 3.14Å
198S44.1Very low64.3Low56 Ų5686.9 Ų86.939%0.39252%0.521SS..  trans-94.969.6178.131.90000110.8S74 G195 P200S74-S198 PolarHBondContact O-OG 2.87Å; G195-S198 PolarHBondContact O-OG 3.04Å; S198-P200 VanDerWaalsContact O-CD 3.31Å; S198-P200 WeakPolarHBondContact O-CD 3.3Å
199I39.4Very low62.1Low132 Ų13289.3 Ų89.368%0.67754%0.537SS*.  trans-72.2114.1142.4-60.7174.8000103.4N197 V201N197-I199 PolarHBondContact O-N 3.14Å; I199-V201 VanDerWaalsContact C-N 3.27Å; I199-V201 PolarHBondContact O-N 2.99Å
200P38.6Very low60Low111 Ų11189 Ų8972%0.72154%0.544SS*.  trans-57.9110157.224.7-27.7000103.7S198 A202S198-P200 VanDerWaalsContact O-CD 3.31Å; S198-P200 WeakPolarHBondContact O-CD 3.3Å; P200-A202 PolarHBondContact O-N 2.84Å
201V40.6Very low57.8Low124 Ų12499 Ų9975%0.75258%0.578SS**  trans-50100.6158.7170.70000102.6I199 T203I199-V201 VanDerWaalsContact C-N 3.27Å; I199-V201 PolarHBondContact O-N 2.99Å; V201-T203 VanDerWaalsContact C-N 3.3Å; V201-T203 PolarHBondContact O-N 3.24Å
202A37.8Very low55.5Low84 Ų84108 Ų10869%0.69462%0.617SS**  trans-57.5112.3170.200000102.3P200 G204P200-A202 PolarHBondContact O-N 2.84Å; A202-G204 PolarHBondContact O-N 2.86Å
203T43Very low53.4Low142 Ų142108.3 Ų108.387%0.87163%0.634SS**  trans-6560.7161-37.90000106.5V201V201-T203 VanDerWaalsContact C-N 3.3Å; V201-T203 PolarHBondContact O-N 3.24Å
204G55Low51.1Low40 Ų40114.2 Ų114.241%0.41267%0.671SS.*  trans-62.7151.9155.800000106.8A202 I206A202-G204 PolarHBondContact O-N 2.86Å; G204-I206 PolarHBondContact O-N 3.17Å
205P44.8Very low49.3Very low129 Ų129117.2 Ų117.284%0.83869%0.688SS**  trans-51.7131.4175.723.3-31.3000107.9P207P205-P207 VanDerWaalsContact O-N 3.1Å
206I44.3Very low48.1Very low153 Ų153121.4 Ų121.479%0.78571%0.707SS**  trans-41.7124.2171.9-55.8163.5000105.7G204 M208G204-I206 PolarHBondContact O-N 3.17Å; I206-M208 PolarHBondContact O-N 2.74Å
207P44.1Very low47.4Very low114 Ų114129.5 Ų129.574%0.7473%0.731SS**  trans-54.6115.4172.6-11.421000104.6P205 A209P205-P207 VanDerWaalsContact O-N 3.1Å; P207-A209 VanDerWaalsContact C-N 3.25Å; P207-A209 PolarHBondContact O-N 2.83Å
208M45.7Very low47.4Very low175 Ų175131.5 Ų131.586%0.86273%0.732SS**  trans-56.3106.2170.2-97.1-165.3-69.100104.4I206 V210I206-M208 PolarHBondContact O-N 2.74Å; M208-V210 PolarHBondContact O-N 2.73Å
209A49Very low47.9Very low90 Ų90134.8 Ų134.874%0.74475%0.745SS**  trans-63.591169.800000104.6P207 R211P207-A209 VanDerWaalsContact C-N 3.25Å; P207-A209 PolarHBondContact O-N 2.83Å; A209-R211 PolarHBondContact O-N 2.95Å
210V52.2Low48.5Very low122 Ų122131.3 Ų131.374%0.73974%0.736SS**  trans-61.3102.6163.5177.30000103.3M208 K212M208-V210 PolarHBondContact O-N 2.73Å; V210-K212 VanDerWaalsContact C-N 3.28Å; V210-K212 PolarHBondContact O-N 2.76Å
211R51.6Low49.2Very low234 Ų234130.8 Ų130.888%0.88373%0.727SS**  trans-55.8102168.4-74.6-179.1164.9-179.4-4.5105.2A209 A213A209-R211 PolarHBondContact O-N 2.95Å; R211-A213 PolarHBondContact O-N 3.42Å
212K47.5Very low49.9Very low193 Ų193129.1 Ų129.184%0.83972%0.721SS**  trans-54119.1167-73.1-167172.6-174.90105.5V210 T214V210-K212 VanDerWaalsContact C-N 3.28Å; V210-K212 PolarHBondContact O-N 2.76Å; K212-T214 PolarHBondContact O-N 3.2Å; K212-T214 VanDerWaalsContact O-N 3.14Å
213A51.2Low50.6Low86 Ų86128.5 Ų128.571%0.71171%0.712SS**  trans-50.8125.2177.400000107.5R211 L215R211-A213 PolarHBondContact O-N 3.42Å; A213-L215 VanDerWaalsContact C-N 3.3Å; A213-L215 PolarHBondContact O-N 3.47Å
214T47.4Very low51Low140 Ų140127.4 Ų127.486%0.85970%0.699SS**  trans-66.695.1179.8-40.60000106.7K212 N216K212-T214 PolarHBondContact O-N 3.2Å; K212-T214 VanDerWaalsContact O-N 3.14Å; T214-N216 PolarHBondContact O-N 3.06Å
215L53.3Low51Low124 Ų124129 Ų12965%0.64970%0.697SS**  trans-59.5107.9176.1-97.5148000107.8A213 W217 L234A213-L215 VanDerWaalsContact C-N 3.3Å; A213-L215 PolarHBondContact O-N 3.47Å; L215-W217 PolarHBondContact O-N 3.37Å; L215-L234 HydrophobicContact CD2-CD1 4.09Å
216N56.7Low51.2Low102 Ų102130.2 Ų130.255%0.54569%0.689SS.*  trans-80.2102.6179.6-154.7-15000107.6T214 K218 D219T214-N216 PolarHBondContact O-N 3.06Å; N216-K218 PolarHBondContact O-N 3.42Å; N216-D219 PolarHBondContact O-N 3.3Å; N216-D219 VanDerWaalsContact O-N 3.12Å
217W54.1Low51.7Low221 Ų221124.8 Ų124.884%0.83767%0.671SS**G310 helixtrans-61.9-10.3-172.9-163.2-95000114.1L215 D219L215-W217 PolarHBondContact O-N 3.37Å; W217-D219 VanDerWaalsContact C-N 3.28Å; W217-D219 PolarHBondContact O-N 2.98Å
218K54.1Low52.1Low190 Ų190129.4 Ų129.483%0.82668%0.679SS**G310 helixtrans-74.7-17.9177.3-64.7-175.4176.8-178.60113.6N216N216-K218 PolarHBondContact O-N 3.42Å
219D55.1Low52.2Low124 Ų124125.8 Ų125.866%0.66367%0.667SS**G310 helixtrans-103.36.8179.1-54.9-40.7000112.2N216 W217 D221N216-D219 PolarHBondContact O-N 3.3Å; N216-D219 VanDerWaalsContact O-N 3.12Å; W217-D219 VanDerWaalsContact C-N 3.28Å; W217-D219 PolarHBondContact O-N 2.98Å; D219-D221 PolarHBondContact O-N 3.48Å
220A52.4Low52.4Low60 Ų60127.7 Ų127.750%0.49666%0.664SS.*  trans-78.599.7178.700000110.5
221D54.3Low52.5Low99 Ų99131.1 Ų131.153%0.52967%0.673SS.*  trans-91.2149.1174.5-175.224000111.5D219 S223 M224D219-D221 PolarHBondContact O-N 3.48Å; D221-S223 PolarHBondContact O-N 3Å; D221-S223 VanDerWaalsContact O-N 3.08Å; D221-S223 WeakPolarHBondContact OD2-CB 3.48Å; D221-S223 PolarHBondContact OD2-OG 2.96Å; D221-M224 PolarHBondContact O-N 2.92Å
222S53.7Low52.4Low89 Ų89127.2 Ų127.262%0.62267%0.669SS**THydrogen-bonded Turntrans-62.1-17.6179.2-70.30000113.1M224 I225S222-M224 PolarHBondContact O-N 3.4Å; S222-I225 PolarHBondContact O-N 3.46Å
223S52.9Low52.8Low72 Ų72121.4 Ų121.450%0.50365%0.653SS.*Hα-helixtrans-66.5-19.9172.561.70000114.1D221 G227D221-S223 PolarHBondContact O-N 3Å; D221-S223 VanDerWaalsContact O-N 3.08Å; D221-S223 WeakPolarHBondContact OD2-CB 3.48Å; D221-S223 PolarHBondContact OD2-OG 2.96Å; S223-G227 WeakPolarHBondContact O-CA 3.29Å; S223-G227 PolarHBondContact O-N 3.37Å; S223-G227 VanDerWaalsContact O-N 3.14Å
224M52.5Low53.1Low119 Ų119123.3 Ų123.359%0.58665%0.65SS**Hα-helixtrans-79.7-16.9178.3-67.4-154.1168.900114.5D221 S222D221-M224 PolarHBondContact O-N 2.92Å; S222-M224 PolarHBondContact O-N 3.4Å
225I53.8Low53.7Low73 Ų73119 Ų11937%0.37462%0.624SS.*Hα-helixtrans-96-32.9-178.4-59.5-178000111.2S222S222-I225 PolarHBondContact O-N 3.46Å
226F50.4Low54.5Low154 Ų154116.9 Ų116.968%0.67562%0.619SS**Hα-helixtrans-112.13.6-175.1-58.9-75.8000114.1L247F226-L247 HydrophobicContact CZ-CD1 4.14Å
227G54.6Low55Low39 Ų39117.9 Ų117.940%0.40262%0.621SS.*SBendtrans-74.8156.8177.700000114.3S223S223-G227 WeakPolarHBondContact O-CA 3.29Å; S223-G227 PolarHBondContact O-N 3.37Å; S223-G227 VanDerWaalsContact O-N 3.14Å
228K51.4Low55.9Low212 Ų212109.8 Ų109.892%0.92261%0.606SS**PPolyproline II helixtrans-73133.4176.5-156.9172.9-175.5177.30109.9
229V48Very low56.9Low98 Ų98105.1 Ų105.159%0.59459%0.59SS**PPolyproline II helixtrans-55.9131.9-170.4-176.60000112.3
230N52.9Low57.9Low130 Ų130104.1 Ų104.170%0.69558%0.577SS**  trans-134153.6163.4-135.911.8000109D232 S233N230-D232 PolarHBondContact O-N 3.42Å; N230-S233 PolarHBondContact O-N 3.16Å; N230-S233 VanDerWaalsContact O-N 3.11Å
231E53.7Low58.8Low195 Ų195108 Ų10891%0.91158%0.584SS**THydrogen-bonded Turntrans-62.6-3.4-169.2-76.5-121132.900116.4
232D50.7Low59.8Low151 Ų151106 Ų10681%0.80758%0.582SS**THydrogen-bonded Turntrans-104.116.2175.7-66.6-40.2000113.3N230 L234N230-D232 PolarHBondContact O-N 3.42Å; D232-L234 PolarHBondContact O-N 2.91Å
233S56.1Low60.6Low72 Ų72104.6 Ų104.650%0.50357%0.567SS.*  trans-70.6121-178.2-173.50000112.4N230 V235N230-S233 PolarHBondContact O-N 3.16Å; N230-S233 VanDerWaalsContact O-N 3.11Å; S233-V235 PolarHBondContact O-N 2.97Å
234L57.5Low61.3Low125 Ų125104.9 Ų104.965%0.65457%0.569SS**SBendtrans-77.4-3.6-177.2-66171.8000114.3L215 D232L215-L234 HydrophobicContact CD2-CD1 4.09Å; D232-L234 PolarHBondContact O-N 2.91Å
235V60.4Low62.2Low51 Ų51102.3 Ų102.331%0.30956%0.562SS.*SBendtrans-107.5121.6-178.5-178.90000108.8S233 L239 R240S233-V235 PolarHBondContact O-N 2.97Å; V235-L239 HydrophobicContact CG1-CB 4.3Å; V235-L239 HydrophobicContact CG1-CD2 4.11Å; V235-L239 HydrophobicContact CG1-CG 4.28Å; V235-R240 HydrophobicContact CG1-CB 4.49Å
236S69.9Low63.1Low78 Ų78106.5 Ų106.555%0.54558%0.575SS.*  trans-69148.3179.963.40000111.9G238 L239 R240S236-G238 PolarHBondContact O-N 3.47Å; S236-L239 PolarHBondContact O-N 2.92Å; S236-R240 PolarHBondContact O-N 3.03Å; S236-R240 VanDerWaalsContact O-N 3.1Å
237E65.7Low64.1Low124 Ų124103.1 Ų103.158%0.57956%0.563SS**Hα-helixtrans-50.4-44.7177.7-154.590.5-130.500111.7L239 R240 E241E237-L239 PolarHBondContact O-N 3.38Å; E237-R240 WeakPolarHBondContact O-CB 3.49Å; E237-R240 PolarHBondContact O-N 3.08Å; E237-R240 IonicContact OE1-NH1 3.37Å; E237-R240 PolarHBondContact OE1-NH1 3.33Å; E237-E241 PolarHBondContact O-N 2.64Å
238G74.4Confident64.8Low51 Ų51109.8 Ų109.853%0.52658%0.581SS.*Hα-helixtrans-66.1-34.1-179.900000114.2S236 A242S236-G238 PolarHBondContact O-N 3.47Å; G238-A242 WeakPolarHBondContact O-CB 3.25Å; G238-A242 PolarHBondContact O-N 3.05Å; G238-A242 VanDerWaalsContact O-N 3.11Å
239L74.4Confident65.5Low92 Ų92107 Ų10748%0.48257%0.573SS.*Hα-helixtrans-69.9-38.4174.6-18058.8000110.7V235 S236 E237 A242 I243V235-L239 HydrophobicContact CG1-CB 4.3Å; V235-L239 HydrophobicContact CG1-CD2 4.11Å; V235-L239 HydrophobicContact CG1-CG 4.28Å; S236-L239 PolarHBondContact O-N 2.92Å; E237-L239 PolarHBondContact O-N 3.38Å; L239-A242 PolarHBondContact O-N 3.01Å; L239-I243 HydrophobicContact CD1-CD1 4.18Å; L239-I243 HydrophobicContact CD1-CG1 4.47Å; L239-I243 HydrophobicContact CG-CD1 4.06Å; L239-I243 VanDerWaalsContact O-CG1 3.29Å; L239-I243 WeakPolarHBondContact O-CG1 3.32Å; L239-I243 PolarHBondContact O-N 3.1Å
240R75.2Confident66.4Low103 Ų103105.8 Ų105.839%0.38957%0.567SS.*Hα-helixtrans-66.2-42.8177.3-177.3172.2164.6-117.9-2.7111.9V235 S236 E237 A242 I243 S244V235-R240 HydrophobicContact CG1-CB 4.49Å; S236-R240 PolarHBondContact O-N 3.03Å; S236-R240 VanDerWaalsContact O-N 3.1Å; E237-R240 WeakPolarHBondContact O-CB 3.49Å; E237-R240 PolarHBondContact O-N 3.08Å; E237-R240 IonicContact OE1-NH1 3.37Å; E237-R240 PolarHBondContact OE1-NH1 3.33Å; R240-A242 VanDerWaalsContact C-N 3.35Å; R240-I243 PolarHBondContact O-N 3.19Å; R240-S244 WeakPolarHBondContact O-CB 3.44Å; R240-S244 PolarHBondContact O-N 3.46Å
241E71.7Confident66.7Low140 Ų140102 Ų10265%0.65456%0.559SS**Hα-helixtrans-63.4-40.6175-73.5-154.5149.600112.3E237 I243 S244 S245E237-E241 PolarHBondContact O-N 2.64Å; E241-I243 PolarHBondContact O-N 2.89Å; E241-S244 PolarHBondContact O-N 3.31Å; E241-S245 VanDerWaalsContact O-CB 3.32Å; E241-S245 WeakPolarHBondContact O-CB 3.43Å; E241-S245 PolarHBondContact O-N 3.23Å
242A75.3Confident66.7Low59 Ų59100.7 Ų100.749%0.48856%0.558SS.*Hα-helixtrans-62.1-43.1176.400000112.1G238 L239 R240 Y246G238-A242 WeakPolarHBondContact O-CB 3.25Å; G238-A242 PolarHBondContact O-N 3.05Å; G238-A242 VanDerWaalsContact O-N 3.11Å; L239-A242 PolarHBondContact O-N 3.01Å; R240-A242 VanDerWaalsContact C-N 3.35Å; A242-Y246 WeakPolarHBondContact O-CB 3.45Å; A242-Y246 PolarHBondContact O-N 3.33Å
243I70.4Confident66.5Low58 Ų5899.3 Ų99.330%0.29756%0.559SS.*Hα-helixtrans-66.9-42.4177.2-66.6165.7000110.9L239 R240 E241 Y246 L247L239-I243 HydrophobicContact CD1-CD1 4.18Å; L239-I243 HydrophobicContact CD1-CG1 4.47Å; L239-I243 HydrophobicContact CG-CD1 4.06Å; L239-I243 VanDerWaalsContact O-CG1 3.29Å; L239-I243 WeakPolarHBondContact O-CG1 3.32Å; L239-I243 PolarHBondContact O-N 3.1Å; R240-I243 PolarHBondContact O-N 3.19Å; E241-I243 PolarHBondContact O-N 2.89Å; I243-Y246 PolarHBondContact O-N 2.92Å; I243-L247 HydrophobicContact CG2-CD1 4.06Å; I243-L247 WeakPolarHBondContact O-CG 3.38Å; I243-L247 PolarHBondContact O-N 3.11Å
244S68.1Low66.1Low79 Ų79101.5 Ų101.555%0.55257%0.574SS**Hα-helixtrans-61.6-45.3177.4-171.90000111.7R240 E241 Y246 L247 F248R240-S244 WeakPolarHBondContact O-CB 3.44Å; R240-S244 PolarHBondContact O-N 3.46Å; E241-S244 PolarHBondContact O-N 3.31Å; S244-Y246 PolarHBondContact O-N 2.98Å; S244-L247 PolarHBondContact O-N 3.14Å; S244-F248 WeakPolarHBondContact O-CB 3.44Å; S244-F248 PolarHBondContact O-N 2.86Å
245S70.8Confident65.3Low64 Ų64104.9 Ų104.945%0.44859%0.586SS.*Hα-helixtrans-59.6-45.4174.8178.70000111.5E241 F248 M249E241-S245 VanDerWaalsContact O-CB 3.32Å; E241-S245 WeakPolarHBondContact O-CB 3.43Å; E241-S245 PolarHBondContact O-N 3.23Å; S245-F248 PolarHBondContact O-N 3.28Å; S245-M249 WeakPolarHBondContact O-CG 3.42Å; S245-M249 PolarHBondContact O-N 2.97Å
246Y73Confident64.1Low161 Ų161112.1 Ų112.163%0.63161%0.613SS**Hα-helixtrans-61.3-47.8178.2-175-95.8000112.1A242 I243 S244 F248 M249 T250A242-Y246 WeakPolarHBondContact O-CB 3.45Å; A242-Y246 PolarHBondContact O-N 3.33Å; I243-Y246 PolarHBondContact O-N 2.92Å; S244-Y246 PolarHBondContact O-N 2.98Å; Y246-F248 VanDerWaalsContact C-N 3.33Å; Y246-F248 PolarHBondContact O-N 3.35Å; Y246-M249 PolarHBondContact O-N 3.01Å; Y246-M249 VanDerWaalsContact O-N 3.16Å; Y246-T250 HydrophobicContact CD1-CG2 4.27Å; Y246-T250 HydrophobicContact CE1-CG2 3.85Å; Y246-T250 HydrophobicContact CE2-CG2 4.13Å; Y246-T250 WeakPolarHBondContact O-CG2 3.44Å; Y246-T250 PolarHBondContact O-N 2.93Å; Y246-T250 PolarHBondContact O-OG1 3.17Å
247L72Confident62.6Low83 Ų83119.5 Ų119.544%0.43563%0.63SS.*Hα-helixtrans-62.7-39.5178.6-75169.9000112.2F226 I243 S244 M249 T250 G251F226-L247 HydrophobicContact CZ-CD1 4.14Å; I243-L247 HydrophobicContact CG2-CD1 4.06Å; I243-L247 WeakPolarHBondContact O-CG 3.38Å; I243-L247 PolarHBondContact O-N 3.11Å; S244-L247 PolarHBondContact O-N 3.14Å; L247-M249 VanDerWaalsContact C-N 3.34Å; L247-T250 PolarHBondContact O-N 3.11Å; L247-T250 PolarHBondContact O-OG1 2.96Å; L247-G251 VanDerWaalsContact O-CA 3.25Å; L247-G251 WeakPolarHBondContact O-CA 3.32Å; L247-G251 PolarHBondContact O-N 3.37Å
248F69.6Low61.2Low179 Ų179121 Ų12179%0.78564%0.641SS**Hα-helixtrans-62.8-40.8174.5-174.5-98.1000111.8S244 S245 Y246S244-F248 WeakPolarHBondContact O-CB 3.44Å; S244-F248 PolarHBondContact O-N 2.86Å; S245-F248 PolarHBondContact O-N 3.28Å; Y246-F248 VanDerWaalsContact C-N 3.33Å; Y246-F248 PolarHBondContact O-N 3.35Å
249M64.9Low59.7Low153 Ų153127.9 Ų127.975%0.75468%0.682SS**Hα-helixtrans-71.3-31177.9-71.6-170.970.700113.5S245 Y246 L247S245-M249 WeakPolarHBondContact O-CG 3.42Å; S245-M249 PolarHBondContact O-N 2.97Å; Y246-M249 PolarHBondContact O-N 3.01Å; Y246-M249 VanDerWaalsContact O-N 3.16Å; L247-M249 VanDerWaalsContact C-N 3.34Å
250T67.7Low59Low74 Ų74129.7 Ų129.745%0.45469%0.692SS.*Hα-helixtrans-94.6-0.217959.80000113.7Y246 L247Y246-T250 HydrophobicContact CD1-CG2 4.27Å; Y246-T250 HydrophobicContact CE1-CG2 3.85Å; Y246-T250 HydrophobicContact CE2-CG2 4.13Å; Y246-T250 WeakPolarHBondContact O-CG2 3.44Å; Y246-T250 PolarHBondContact O-N 2.93Å; Y246-T250 PolarHBondContact O-OG1 3.17Å; L247-T250 PolarHBondContact O-N 3.11Å; L247-T250 PolarHBondContact O-OG1 2.96Å
251G59.7Low58.1Low51 Ų51131.1 Ų131.153%0.52671%0.708SS.*SBendtrans-89.66.3-163.800000117.4L247L247-G251 VanDerWaalsContact O-CA 3.25Å; L247-G251 WeakPolarHBondContact O-CA 3.32Å; L247-G251 PolarHBondContact O-N 3.37Å
252D52.5Low57.4Low167 Ų167130.6 Ų130.689%0.89371%0.711SS**  trans-140.881.4173.2-97.8-33.6000111.5
253C47.6Very low56.3Low122 Ų122134.8 Ų134.882%0.82472%0.724SS**  trans-143.468.1158.2-155.60000109.9
254S47.2Very low55.4Low117 Ų117139.6 Ų139.682%0.81875%0.75SS**  trans-152.558.6163.4-79.90000111
255Q40.4Very low54.6Low196 Ų196143.7 Ų143.792%0.91676%0.764SS**  trans-87.995.6151.1-83-169.3-21.500108.2W257Q255-W257 PolarHBondContact O-N 3.48Å
256K34.6Very low53.4Low203 Ų203149.4 Ų149.488%0.88379%0.786SS**  trans-62.7124.6166.2-94.3175.4169.71740109.2
257W38.6Very low51.9Low234 Ų234148.5 Ų148.589%0.88680%0.798SS**  trans-67.2130.5151.3-73.843.9000107.7Q255Q255-W257 PolarHBondContact O-N 3.48Å
258D37.5Very low50.2Low154 Ų154153.9 Ų153.982%0.82483%0.828SS**  179131.8125.7-89.2-22.3000112.4
259S42.5Very low48.5Very low197 Ų197151.6 Ų151.6100%1.37883%0.832SS**  trans72.30164.9-55.60000119.2

Retrieved 259 of 259 residues in 233.4 ms (Link to these results)