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Isoform 6 of Synaptotagmin-like protein 2 AlphaSync

Canonical isoform description: Isoform 11 acts as a RAB27A effector protein and plays a role in cytotoxic granule exocytosis in lymphocytes. Required for cytotoxic granule docking at the immunologic synapse. Isoform 1 may play a role in melanosome transport and vesicle trafficking. It controls melanosome distribution in the cell periphery and regulates melanocyte morphology. Isoform 1 acts as a positive mediator of mucus secretion by the surface mucus cells of the stomach. Mediates basal mucus secretion by gastric surface cells by promoting the proper granule biognesis and docking of mucus granules with the apical plasma membrane.

AlphaFold DB , UniProt , Accession Q99N50-6 (canonical: Q99N50), Species MOUSE (Mus musculus, Mouse), Gene Sytl2, Length 376 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
1M41.3Very low35.9Very low234 Ų234147.5 Ų147.5100%1.15381%0.814SS**  062.30-57.8-80.7-175.900107.1
2S40.2Very low35.4Very low113 Ų113149.8 Ų149.879%0.7982%0.815SS**  61.9122.295.7-540000113.4
3K39.8Very low35.4Very low193 Ų193146.8 Ų146.884%0.83981%0.812SS**  cis-170.3115.2-14.3-111.9177.8-174.5-1760104.4
4S37.5Very low35.1Very low109 Ų109145.9 Ų145.976%0.76281%0.805SS**  52.6121.1116.758.70000119.7
5V34.2Very low35.3Very low136 Ų136146.5 Ų146.582%0.82481%0.807SS**  trans-68.9168.7156-143.20000110.1
6P34.8Very low35.2Very low125 Ų125149.3 Ų149.381%0.81280%0.801SS**  -157.8-177.572.437.2-11.9000117.2
7A32.8Very low35.1Very low93 Ų93151.5 Ų151.577%0.76981%0.805SS**  trans-67.1161.3179.100000116.1
8F34.4Very low34.9Very low188 Ų188149.4 Ų149.483%0.82580%0.799SS**  trans-145.8123.7162.2-144.5-103.6000111.3
9L31.2Very low34.7Very low157 Ų157149.5 Ų149.582%0.82280%0.8SS**  trans-81.3-177.2161.9-75.8163.7000110
10Q35.5Very low34.5Very low157 Ų157148.5 Ų148.573%0.73480%0.8SS**  trans84143.5174.5-77.6-179.3-49.200116
11D33.4Very low34.4Very low117 Ų117146.4 Ų146.463%0.62680%0.803SS**  cis-166.4172.5-7.6-135.1-30.2000107
12E29.4Very low33.8Very low176 Ų176140.6 Ų140.682%0.82279%0.785SS**  trans-38.1143170.6-61.4177.891.600116.9
13S36.1Very low33.5Very low111 Ų111144.6 Ų144.678%0.77679%0.791SS**  trans-172120130.126.50000112.2
14D31.5Very low33.2Very low133 Ų133141.3 Ų141.371%0.71179%0.792SS**  trans-63.9125.6161.5-173.927000109.4
15D37Very low32.8Very low156 Ų156140.7 Ų140.783%0.83479%0.788SS**  trans-136.192.9164.4-98.1-32.8000111.4
16R34.9Very low32.9Very low191 Ų191144.2 Ų144.272%0.72179%0.788SS**  trans-18.4138.9146.1-61.3173.6177.6165.3-0.2115.8
17E32.4Very low33.1Very low186 Ų186145.5 Ų145.587%0.86978%0.783SS**  -139.589.1126.9-91.8-173.8167.800108.6
18T31.5Very low33.3Very low114 Ų114147.8 Ų147.870%0.69978%0.782SS**  trans-90106.1158.137.80000108
19D31.7Very low33.4Very low152 Ų152150 Ų15081%0.81379%0.785SS**  trans-98.793.9167.2-89-18.8000110
20T29.7Very low33.5Very low129 Ų129153.4 Ų153.479%0.79179%0.787SS**  trans-94.4110.5154.242.60000108.2
21A33.9Very low33.7Very low105 Ų105157.3 Ų157.387%0.86880%0.797SS**  trans-108.3110.7162.500000108.4
22S28.6Very low33.7Very low112 Ų112161.1 Ų161.178%0.78381%0.808SS**  trans-112.3118.1166.7-56.90000107.4
23E33Very low34.2Very low197 Ų197162.3 Ų162.392%0.92181%0.81SS**  trans-147.5114.2155.9-81.4-153142.600109.7
24S34.3Very low34.2Very low123 Ų123162.3 Ų162.386%0.8681%0.81SS**  trans-172.7100134.538.80000108.1
25S29.3Very low34.5Very low97 Ų97162 Ų16268%0.67882%0.816SS**  trans-75.2141.5165.748.10000109.2
26Y36.5Very low34.6Very low210 Ų210159.8 Ų159.882%0.82481%0.812SS**  trans-167.5123139.4-81.6-56.7000111.2
27Q37.9Very low34.7Very low151 Ų151155.7 Ų155.771%0.70681%0.812SS**  trans69.9103.6139.9-53.9-85.9-11.900118.6
28L36.8Very low34.9Very low142 Ų142154.2 Ų154.274%0.74381%0.81SS**  77.3101.489.7-105.2100.3000116.1
29R37.1Very low35.1Very low234 Ų234154.2 Ų154.288%0.88381%0.81SS**  159.2134.5111.5-89.6-174.5172.1-173-1.4113.3
30R33.8Very low35.1Very low229 Ų229153.9 Ų153.986%0.86481%0.808SS**  trans-62.4152.1171.4-70.1168.3178.1159.10.7112.1
31Y38.8Very low35.3Very low239 Ų239155.7 Ų155.794%0.93781%0.812SS**  -159.3140.4121.1-93.8-70.2000111.6
32K34.7Very low35.1Very low197 Ų197157 Ų15786%0.85782%0.815SS**  trans-92.4161.2-174.7-78.1178.7169.6-179.80112.9
33K38.6Very low35.2Very low201 Ų201156.8 Ų156.887%0.87481%0.814SS**  trans124.7144.1148.7-71.9175179.1-1750110.2
34S36.8Very low35.1Very low111 Ų111152.8 Ų152.878%0.77681%0.807SS**  cis-175165.5-16.4-87.70000105.7
35P38.3Very low35Very low127 Ų127152.8 Ų152.883%0.82581%0.807SS**  trans-105.7154.2-144.438.5-30.5000116.4
36S38.5Very low35.1Very low108 Ų108151.2 Ų151.276%0.75581%0.806SS**  trans-156.6128.6159.462.40000112.7
37S37.1Very low35.5Very low105 Ų105149.4 Ų149.473%0.73481%0.807SS**  trans70.1116.8139.4-47.80000121.4
38L35.3Very low35.1Very low155 Ų155148.2 Ų148.281%0.81281%0.811SS**  trans75.8127.1137.8-61.2174.1000120.6
39T36.2Very low35Very low115 Ų115146.2 Ų146.271%0.70681%0.809SS**  trans70.2129.2144.256.90000119.9
40N31.9Very low34.7Very low145 Ų145142.7 Ų142.778%0.77581%0.806SS**  trans59123.4151.3-61.2-27.8000117
41L35.1Very low34.9Very low166 Ų166135.8 Ų135.887%0.86979%0.793SS**  trans-177.299.2131.2-91.1144.5000107.8S43L41-S43 VanDerWaalsContact C-N 3.27Å; L41-S43 PolarHBondContact O-N 2.96Å
42S29.4Very low34.8Very low133 Ų133127.9 Ų127.993%0.9377%0.773SS**  trans-6592.1159.1-58.40000108.1
43S29.2Very low34.9Very low108 Ų108122.6 Ų122.676%0.75577%0.766SS**  trans-91.7100.1164.262.20000108.7L41L41-S43 VanDerWaalsContact C-N 3.27Å; L41-S43 PolarHBondContact O-N 2.96Å
44S31.9Very low35.1Very low113 Ų113115.5 Ų115.579%0.7974%0.741SS**  trans-119.390155.583.10000109.4G46S44-G46 PolarHBondContact O-N 2.77Å
45S31.6Very low35.4Very low122 Ų122111.8 Ų111.885%0.85372%0.721SS**  trans-52.9120.5151.443.80000109.4
46G32.9Very low36Very low64 Ų64106.4 Ų106.466%0.6669%0.686SS**  trans-159.471.1-171.900000115S44S44-G46 PolarHBondContact O-N 2.77Å
47M43Very low36.9Very low173 Ų173102.5 Ų102.585%0.85266%0.658SS**  trans68.6108.4141.1-54.9178.676.700119.7S49M47-S49 PolarHBondContact O-N 2.89Å; M47-S49 VanDerWaalsContact O-N 3.13Å
48T30Very low37.6Very low126 Ų126100.4 Ų100.477%0.77364%0.637SS**  trans-54.5105149.947.90000110.2L50T48-L50 VanDerWaalsContact C-N 3.29Å; T48-L50 PolarHBondContact O-N 3.35Å
49S34.2Very low38.6Very low100 Ų10094 Ų9470%0.69961%0.605SS**  trans-79.979.7175.7-41.40000110.8M47 S51M47-S49 PolarHBondContact O-N 2.89Å; M47-S49 VanDerWaalsContact O-N 3.13Å; S49-S51 PolarHBondContact O-N 3.11Å
50L31.7Very low39.3Very low160 Ų16088.7 Ų88.784%0.83857%0.573SS**  trans-57.3113.5146-69.9162.3000107.3T48T48-L50 VanDerWaalsContact C-N 3.29Å; T48-L50 PolarHBondContact O-N 3.35Å
51S37.2Very low40.3Very low84 Ų8484.7 Ų84.759%0.58755%0.547SS*.  trans-161.6113.6152.752.40000112.2S49 A53S49-S51 PolarHBondContact O-N 3.11Å; S51-A53 PolarHBondContact O-N 3.28Å
52S36.5Very low41Very low72 Ų7278.2 Ų78.250%0.50352%0.516SS..THydrogen-bonded Turntrans-68.718.2163.6-66.50000113.1K124S52-K124 PolarHBondContact O-NZ 2.93Å
53A38.2Very low41.8Very low87 Ų8773.8 Ų73.872%0.71949%0.491SS*.THydrogen-bonded Turntrans-99.6-8.3-171.100000114.4S51S51-A53 PolarHBondContact O-N 3.28Å
54S41.4Very low42.9Very low51 Ų5171.2 Ų71.236%0.35747%0.469SS..  trans-80.2130.7175.2-164.40000110.4S56 K124S54-S56 PolarHBondContact O-N 2.61Å; S54-K124 PolarHBondContact O-NZ 2.77Å
55G45Very low44Very low33 Ų3367 Ų6734%0.3444%0.437SS..  trans-63.15.2168.900000113.7K124G55-K124 PolarHBondContact O-N 3.22Å
56S50.4Low44.9Very low15 Ų1563.1 Ų63.111%0.10542%0.415CS..  trans-63.8137.7-177.2-147.50000113.3S54 M58 Y114 R250S54-S56 PolarHBondContact O-N 2.61Å; S56-M58 PolarHBondContact O-N 3.43Å; S56-M58 VanDerWaalsContact OG-CG 3.28Å; S56-M58 WeakPolarHBondContact OG-CG 3.42Å; S56-Y114 WeakPolarHBondContact O-CE1 3.28Å; S56-Y114 PolarHBondContact O-OH 2.74Å; S56-R250 VanDerWaalsContact CB-NH2 3.32Å; S56-R250 PolarHBondContact OG-NH2 2.92Å
57V56.2Low46.1Very low25 Ų2567.4 Ų67.415%0.15242%0.423CS..THydrogen-bonded Turntrans-61.81.2164.6-66.10000114S59 V60 Y61 Y114 L116 D118V57-S59 PolarHBondContact O-N 3.37Å; V57-S59 VanDerWaalsContact O-N 3.14Å; V57-V60 WeakPolarHBondContact O-CA 3.06Å; V57-V60 VanDerWaalsContact O-CB 3.31Å; V57-V60 WeakPolarHBondContact O-CB 3.29Å; V57-V60 PolarHBondContact O-N 3.19Å; V57-Y61 HydrophobicContact CB-CD2 3.91Å; V57-Y61 HydrophobicContact CB-CE2 3.6Å; V57-Y61 HydrophobicContact CG2-CD2 3.79Å; V57-Y61 HydrophobicContact CG2-CE2 3.49Å; V57-Y61 VanDerWaalsContact CG2-CE2 3.49Å; V57-Y61 WeakPolarHBondContact O-CD2 3.28Å; V57-Y61 PolarHBondContact O-N 2.84Å; V57-Y114 HydrophobicContact CB-CE1 4.49Å; V57-Y114 HydrophobicContact CG1-CD1 3.84Å; V57-Y114 HydrophobicContact CG1-CE1 4.16Å; V57-L116 HydrophobicContact CB-CD2 4.46Å; V57-L116 HydrophobicContact CG1-CD2 3.71Å; V57-D118 HydrophobicContact CG1-CB 3.88Å
58M53.3Low47.6Very low61 Ų6161 Ų6130%0.339%0.392SS..Hα-helixtrans-57.3-31.6-178.6-73.6-64.7112.100113.1S56 V60 Y61 S62S56-M58 PolarHBondContact O-N 3.43Å; S56-M58 VanDerWaalsContact OG-CG 3.28Å; S56-M58 WeakPolarHBondContact OG-CG 3.42Å; M58-V60 VanDerWaalsContact C-N 3.27Å; M58-V60 PolarHBondContact O-N 2.8Å; M58-Y61 PolarHBondContact O-N 2.74Å; M58-S62 WeakPolarHBondContact O-CB 2.97Å; M58-S62 PolarHBondContact O-N 3.01Å; M58-S62 PolarHBondContact O-OG 2.88Å
59S54.7Low50.2Low20 Ų2060.2 Ų60.214%0.1438%0.38CS..Hα-helixtrans-74.4-19.6175.769.20000113.5V57 Y114 W161V57-S59 PolarHBondContact O-N 3.37Å; V57-S59 VanDerWaalsContact O-N 3.14Å; S59-Y114 PolarHBondContact OG-OH 2.87Å; S59-W161 VanDerWaalsContact O-CH2 3.31Å; S59-W161 WeakPolarHBondContact O-CH2 3.17Å; S59-W161 WeakPolarHBondContact O-CZ2 3.47Å
60V51Low52.8Low4 Ų456.5 Ų56.52%0.02435%0.353CS..Hα-helixtrans-75.2-39.6171.9-173.50000109.7V57 M58 Y114 L116 K200V57-V60 WeakPolarHBondContact O-CA 3.06Å; V57-V60 VanDerWaalsContact O-CB 3.31Å; V57-V60 WeakPolarHBondContact O-CB 3.29Å; V57-V60 PolarHBondContact O-N 3.19Å; M58-V60 VanDerWaalsContact C-N 3.27Å; M58-V60 PolarHBondContact O-N 2.8Å; V60-Y114 HydrophobicContact CG2-CD1 4.25Å; V60-Y114 HydrophobicContact CG2-CD2 3.26Å; V60-Y114 HydrophobicContact CG2-CE1 4.32Å; V60-Y114 HydrophobicContact CG2-CE2 3.37Å; V60-Y114 HydrophobicContact CG2-CG 3.72Å; V60-L116 HydrophobicContact CG1-CD1 4.13Å; V60-K200 WeakPolarHBondContact O-CD 3.38Å; V60-K200 WeakPolarHBondContact O-CE 3.23Å; V60-K200 PolarHBondContact O-NZ 3.46Å
61Y54Low55.7Low61 Ų6153.8 Ų53.824%0.23933%0.334CS..Hα-helixtrans-92.3-10.2-177.6-61.1-70.2000115.1V57 M58 G63 M368V57-Y61 HydrophobicContact CB-CD2 3.91Å; V57-Y61 HydrophobicContact CB-CE2 3.6Å; V57-Y61 HydrophobicContact CG2-CD2 3.79Å; V57-Y61 HydrophobicContact CG2-CE2 3.49Å; V57-Y61 VanDerWaalsContact CG2-CE2 3.49Å; V57-Y61 WeakPolarHBondContact O-CD2 3.28Å; V57-Y61 PolarHBondContact O-N 2.84Å; M58-Y61 PolarHBondContact O-N 2.74Å; Y61-G63 PolarHBondContact O-N 3.31Å; Y61-M368 HydrophobicContact CG-CE 4.29Å
62S50.2Low58.5Low30 Ų3050.7 Ų50.721%0.2132%0.315CS..  trans-74.695.8175.3-68.50000109.2M58 D64 F65 R168M58-S62 WeakPolarHBondContact O-CB 2.97Å; M58-S62 PolarHBondContact O-N 3.01Å; M58-S62 PolarHBondContact O-OG 2.88Å; S62-D64 PolarHBondContact O-N 3.3Å; S62-F65 WeakPolarHBondContact O-CE2 3.08Å; S62-F65 WeakPolarHBondContact O-CZ 3.31Å; S62-R168 PolarHBondContact OG-NH2 3.02Å
63G45.5Very low61.4Low41 Ų4149 Ų4942%0.42330%0.304SS..  trans-58.111.3-17900000117.9Y61 F65Y61-G63 PolarHBondContact O-N 3.31Å; G63-F65 PolarHBondContact O-N 3.3Å
64D51.7Low64.3Low54 Ų5444.8 Ų44.829%0.28927%0.269SS..  trans-10071.6-178-175.427.8000110.1S62 G66 R168 K373S62-D64 PolarHBondContact O-N 3.3Å; D64-G66 VanDerWaalsContact C-N 3.27Å; D64-G66 PolarHBondContact O-N 3.47Å; D64-R168 IonicContact OD2-CZ 2.94Å; D64-R168 IonicContact OD2-NE 3.34Å; D64-R168 IonicContact OD2-NH1 2.74Å; D64-R168 PolarHBondContact OD2-NH1 3.44Å; D64-K373 WeakPolarHBondContact OD1-CE 3.25Å; D64-K373 IonicContact OD1-NZ 3.89Å; D64-K373 PolarHBondContact OD1-NZ 3.27Å
65F55Low67Low25 Ų2543.7 Ų43.711%0.1126%0.258CS..  trans-87.69.3-178.9-60.7-65.8000113.7S62 G63 W161 F171 K200S62-F65 WeakPolarHBondContact O-CE2 3.08Å; S62-F65 WeakPolarHBondContact O-CZ 3.31Å; G63-F65 PolarHBondContact O-N 3.3Å; F65-W161 HydrophobicContact CD1-CH2 4.09Å; F65-W161 AromaticContact CE1-CH2 3.77Å; F65-W161 HydrophobicContact CE1-CH2 3.77Å; F65-W161 HydrophobicContact CE1-CZ2 4.21Å; F65-F171 HydrophobicContact CB-CB 3.76Å; F65-F171 HydrophobicContact CB-CD1 3.69Å; F65-F171 HydrophobicContact CB-CE1 4.45Å; F65-F171 HydrophobicContact CB-CG 3.91Å; F65-F171 HydrophobicContact CD1-CB 3.45Å; F65-F171 VanDerWaalsContact CD1-CB 3.45Å; F65-F171 AromaticContact CD1-CD1 3.81Å; F65-F171 HydrophobicContact CD1-CD1 3.81Å; F65-F171 AromaticContact CD1-CD2 3.51Å; F65-F171 HydrophobicContact CD1-CD2 3.51Å; F65-F171 HydrophobicContact CD1-CE1 4.34Å; F65-F171 HydrophobicContact CD1-CE2 4.08Å; F65-F171 AromaticContact CD1-CG 3.33Å; F65-F171 HydrophobicContact CD1-CG 3.33Å; F65-F171 HydrophobicContact CD1-CZ 4.45Å; F65-F171 HydrophobicContact CE1-CB 4.5Å; F65-F171 AromaticContact CE1-CD2 3.92Å; F65-F171 HydrophobicContact CE1-CD2 3.92Å; F65-F171 HydrophobicContact CE1-CE2 4.23Å; F65-F171 HydrophobicContact CE1-CG 4.2Å; F65-F171 HydrophobicContact CG-CB 4.05Å; F65-F171 AromaticContact CG-CD1 3.93Å; F65-F171 HydrophobicContact CG-CD1 3.93Å; F65-F171 HydrophobicContact CG-CD2 4.42Å; F65-F171 HydrophobicContact CG-CE1 4.4Å; F65-F171 AromaticContact CG-CG 3.91Å; F65-F171 HydrophobicContact CG-CG 3.91Å; F65-K200 HydrophobicContact CD2-CB 3.82Å; F65-K200 HydrophobicContact CD2-CD 4.01Å; F65-K200 HydrophobicContact CD2-CG 4.31Å; F65-K200 HydrophobicContact CE1-CD 4.08Å; F65-K200 HydrophobicContact CE2-CB 3.78Å; F65-K200 HydrophobicContact CE2-CD 3.07Å; F65-K200 HydrophobicContact CE2-CG 3.79Å; F65-K200 HydrophobicContact CG-CB 4.37Å; F65-K200 HydrophobicContact CZ-CB 4.26Å; F65-K200 HydrophobicContact CZ-CD 3.12Å; F65-K200 HydrophobicContact CZ-CG 4.22Å
66G50.4Low69.5Low39 Ų3942.1 Ų42.140%0.40224%0.242SC..  trans65.7156.8-175.700000113.1D64 L68D64-G66 VanDerWaalsContact C-N 3.27Å; D64-G66 PolarHBondContact O-N 3.47Å; G66-L68 PolarHBondContact O-N 2.79Å
67N58.4Low71.6Confident155 Ų15541.9 Ų41.983%0.82924%0.241SC*.SBendtrans-75.722.8177.3-71.96.8000112.8
68L74.4Confident73.4Confident38 Ų3840.9 Ų40.920%0.19924%0.235CC..  trans-73.6135.2-178-162.471.9000109.7G66 V70 A98 A99 L172 R199G66-L68 PolarHBondContact O-N 2.79Å; L68-V70 PolarHBondContact O-N 3.06Å; L68-A98 HydrophobicContact CD2-CB 3.51Å; L68-A98 HydrophobicContact CG-CB 3.91Å; L68-A99 WeakPolarHBondContact CD1-O 3.48Å; L68-L172 HydrophobicContact CD2-CD2 3.39Å; L68-R199 PolarHBondContact O-NE 3.06Å
69E84.2Confident75.3Confident110 Ų11040.7 Ų40.751%0.51424%0.235SC..  trans-71.7110.2171.1-161.2-170.6168.800109.6K71 A98 R199E69-K71 VanDerWaalsContact CD-NZ 3.3Å; E69-K71 PolarHBondContact O-N 3.31Å; E69-K71 WeakPolarHBondContact OE1-CE 3.23Å; E69-K71 IonicContact OE1-NZ 3.03Å; E69-K71 PolarHBondContact OE1-NZ 3.3Å; E69-K71 WeakPolarHBondContact OE2-CE 3.37Å; E69-K71 IonicContact OE2-NZ 3.64Å; E69-K71 PolarHBondContact OE2-NZ 3.45Å; E69-A98 WeakPolarHBondContact O-CB 3.37Å; E69-R199 VanDerWaalsContact CA-NH2 3.34Å
70V89.6Confident77.1Confident21 Ų2140.5 Ų40.513%0.12723%0.231CC..  trans-67.3128.7177.9166.50000109.1L68 F171 L172 L197 R199L68-V70 PolarHBondContact O-N 3.06Å; V70-F171 HydrophobicContact CG2-CD1 4.25Å; V70-F171 HydrophobicContact CG2-CE1 4.13Å; V70-L172 WeakPolarHBondContact CG1-O 3.43Å; V70-L197 HydrophobicContact CG1-CB 3.91Å; V70-R199 HydrophobicContact CB-CG 3.63Å; V70-R199 HydrophobicContact CG2-CB 4.37Å; V70-R199 HydrophobicContact CG2-CG 3.55Å
71K92Very high79.1Confident103 Ų10341.9 Ų41.945%0.44824%0.24SC..  trans-144.1163.9178.3-64.7-172.4-174.9175.80109.9E69 D96E69-K71 VanDerWaalsContact CD-NZ 3.3Å; E69-K71 PolarHBondContact O-N 3.31Å; E69-K71 WeakPolarHBondContact OE1-CE 3.23Å; E69-K71 IonicContact OE1-NZ 3.03Å; E69-K71 PolarHBondContact OE1-NZ 3.3Å; E69-K71 WeakPolarHBondContact OE2-CE 3.37Å; E69-K71 IonicContact OE2-NZ 3.64Å; E69-K71 PolarHBondContact OE2-NZ 3.45Å; K71-D96 CarbonylContact C-O 3.51Å
72G96.3Very high81Confident19 Ų1944.2 Ų44.220%0.19625%0.253CS..  trans91.4-174.6173.200000113.7K95 D96 L197G72-K95 CarbonylContact C-O 3.43Å; G72-K95 WeakPolarHBondContact CA-O 3.36Å; G72-D96 WeakPolarHBondContact CA-O 3.37Å; G72-D96 PolarHBondContact N-O 2.82Å; G72-L197 WeakPolarHBondContact O-CB 3.38Å; G72-L197 PolarHBondContact O-N 3.13Å
73S97.9Very high83.1Confident36 Ų3648 Ų4825%0.25228%0.279SS..EExtended strand (participates in β ladder)trans-140155.5-174.3-60.30000110.4C94 K95 Y195S73-C94 CarbonylContact O-C 3.54Å; S73-C94 VanDerWaalsContact O-CA 3.26Å; S73-C94 WeakPolarHBondContact O-CA 3.4Å; S73-C94 WeakPolarHBondContact O-CB 3.2Å; S73-K95 PolarHBondContact N-O 2.84Å; S73-K95 PolarHBondContact O-N 3.19Å; S73-Y195 CarbonylContact C-O 3.54Å; S73-Y195 WeakPolarHBondContact CA-O 3.21Å; S73-Y195 WeakPolarHBondContact CB-O 3.29Å
74V98.3Very high85.4Confident0 Ų050.3 Ų50.30%028%0.282CS..EExtended strand (participates in β ladder)trans-117.7138.817358.70000109.8F76 L158 V175 Y195 L197V74-F76 HydrophobicContact CG1-CD1 4.06Å; V74-F76 HydrophobicContact CG1-CE1 4.13Å; V74-F76 HydrophobicContact CG2-CD1 4.28Å; V74-L158 HydrophobicContact CB-CD2 4.49Å; V74-L158 HydrophobicContact CG1-CD2 3.92Å; V74-L158 HydrophobicContact CG2-CD2 4.09Å; V74-V175 HydrophobicContact CG1-CG2 3.74Å; V74-Y195 PolarHBondContact N-O 2.98Å; V74-Y195 PolarHBondContact O-N 2.84Å; V74-L197 HydrophobicContact CB-CD2 4.25Å; V74-L197 HydrophobicContact CG1-CD2 3.81Å
75Q98Very high87.5Confident27 Ų2752.8 Ų52.813%0.12629%0.29CS..EExtended strand (participates in β ladder)trans-104.9120.2175.4-161.8-175.425.700109.9A92 Q93 L192 K193 W194Q75-A92 HydrophobicContact CB-CB 4.39Å; Q75-A92 PolarHBondContact O-N 3.28Å; Q75-Q93 HydrophobicContact CB-CG 3.98Å; Q75-Q93 PolarHBondContact N-O 2.97Å; Q75-Q93 PolarHBondContact O-N 2.95Å; Q75-L192 HydrophobicContact CG-CB 4Å; Q75-L192 HydrophobicContact CG-CD2 4.32Å; Q75-K193 VanDerWaalsContact CA-O 3.29Å; Q75-K193 WeakPolarHBondContact CA-O 3.44Å; Q75-W194 HydrophobicContact CB-CD2 3.73Å; Q75-W194 HydrophobicContact CB-CE3 3.67Å; Q75-W194 HydrophobicContact CB-CG 4.43Å; Q75-W194 HydrophobicContact CB-CH2 3.9Å; Q75-W194 HydrophobicContact CB-CZ2 3.95Å; Q75-W194 HydrophobicContact CB-CZ3 3.76Å; Q75-W194 HydrophobicContact CG-CD2 3.97Å; Q75-W194 HydrophobicContact CG-CE3 4.42Å; Q75-W194 HydrophobicContact CG-CG 4.26Å; Q75-W194 HydrophobicContact CG-CZ2 4.3Å
76F97.4Very high89.3Confident1 Ų152.6 Ų52.60%0.00429%0.289CS..EExtended strand (participates in β ladder)trans-150.4167175.969.7-85.1000111.9V74 L78 V89 F90 L156 L158 V175 L177 K193 Y195V74-F76 HydrophobicContact CG1-CD1 4.06Å; V74-F76 HydrophobicContact CG1-CE1 4.13Å; V74-F76 HydrophobicContact CG2-CD1 4.28Å; F76-L78 HydrophobicContact CD2-CD2 4.03Å; F76-L78 HydrophobicContact CD2-CG 4.31Å; F76-L78 HydrophobicContact CE2-CD1 4.45Å; F76-L78 HydrophobicContact CE2-CD2 4.02Å; F76-L78 HydrophobicContact CE2-CG 4.1Å; F76-V89 HydrophobicContact CD2-CG1 4.32Å; F76-F90 CarbonylContact C-O 3.51Å; F76-F90 WeakPolarHBondContact CA-O 3.39Å; F76-F90 WeakPolarHBondContact CB-O 3.15Å; F76-L156 HydrophobicContact CE2-CD2 4.24Å; F76-L158 HydrophobicContact CB-CD1 4.39Å; F76-L158 HydrophobicContact CD1-CD1 3.74Å; F76-L158 HydrophobicContact CD2-CD1 4.14Å; F76-L158 HydrophobicContact CE1-CD1 3.91Å; F76-L158 HydrophobicContact CE2-CD1 4.32Å; F76-L158 HydrophobicContact CG-CD1 3.84Å; F76-L158 HydrophobicContact CZ-CD1 4.2Å; F76-V175 HydrophobicContact CE1-CB 4.46Å; F76-V175 HydrophobicContact CE1-CG1 4.24Å; F76-V175 HydrophobicContact CZ-CG1 4.21Å; F76-L177 HydrophobicContact CE2-CD1 3.65Å; F76-L177 HydrophobicContact CZ-CD1 3.57Å; F76-L177 HydrophobicContact CZ-CG 4.32Å; F76-K193 PolarHBondContact N-O 2.97Å; F76-K193 VanDerWaalsContact N-O 3.09Å; F76-K193 PolarHBondContact O-N 3.23Å; F76-Y195 AromaticContact CD1-CD2 3.55Å; F76-Y195 HydrophobicContact CD1-CD2 3.55Å; F76-Y195 AromaticContact CD1-CE2 3.94Å; F76-Y195 HydrophobicContact CD1-CE2 3.94Å; F76-Y195 HydrophobicContact CD1-CG 4.42Å; F76-Y195 HydrophobicContact CE1-CD1 4.44Å; F76-Y195 AromaticContact CE1-CD2 3.11Å; F76-Y195 HydrophobicContact CE1-CD2 3.11Å; F76-Y195 AromaticContact CE1-CE2 3.54Å; F76-Y195 HydrophobicContact CE1-CE2 3.54Å; F76-Y195 AromaticContact CE1-CG 3.63Å; F76-Y195 HydrophobicContact CE1-CG 3.63Å; F76-Y195 HydrophobicContact CE2-CE2 4.14Å; F76-Y195 HydrophobicContact CG-CD2 4.43Å; F76-Y195 HydrophobicContact CG-CE2 4.41Å; F76-Y195 AromaticContact CZ-CD2 3.68Å; F76-Y195 HydrophobicContact CZ-CD2 3.68Å; F76-Y195 AromaticContact CZ-CE2 3.66Å; F76-Y195 HydrophobicContact CZ-CE2 3.66Å; F76-Y195 HydrophobicContact CZ-CG 4.14Å
77A94.8Very high91.4Very high10 Ų1050.7 Ų50.78%0.08327%0.27CS..EExtended strand (participates in β ladder)trans-133.6153.6173.600000110.1F90 L192A77-F90 PolarHBondContact N-O 2.96Å; A77-F90 PolarHBondContact O-N 2.82Å; A77-L192 HydrophobicContact CB-CD2 4.05Å
78L95.3Very high93.2Very high3 Ų344.6 Ų44.62%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-117.4133.9175.6-58.3-177.4000109.4F76 V89 L156 L177 L179 W182 W184F76-L78 HydrophobicContact CD2-CD2 4.03Å; F76-L78 HydrophobicContact CD2-CG 4.31Å; F76-L78 HydrophobicContact CE2-CD1 4.45Å; F76-L78 HydrophobicContact CE2-CD2 4.02Å; F76-L78 HydrophobicContact CE2-CG 4.1Å; L78-V89 HydrophobicContact CD2-CB 4.06Å; L78-V89 HydrophobicContact CD2-CG1 3.76Å; L78-V89 HydrophobicContact CD2-CG2 3.78Å; L78-L156 HydrophobicContact CD1-CD2 3.91Å; L78-L156 HydrophobicContact CD2-CD2 3.53Å; L78-L156 HydrophobicContact CG-CD2 4.34Å; L78-L177 HydrophobicContact CD1-CD1 3.86Å; L78-L179 HydrophobicContact CD1-CD2 4.05Å; L78-W182 HydrophobicContact CB-CZ2 4.34Å; L78-W182 HydrophobicContact CD1-CD2 4.35Å; L78-W182 HydrophobicContact CD1-CZ2 4.14Å; L78-W182 HydrophobicContact CG-CZ2 4.42Å; L78-W184 HydrophobicContact CB-CZ3 4.42Å
79D92.5Very high94.2Very high57 Ų5742.8 Ų42.831%0.30523%0.227SC..EExtended strand (participates in β ladder)trans-140.2147.2167.4-163.522.1000109.9H88 K190D79-H88 PolarHBondContact N-O 2.91Å; D79-H88 VanDerWaalsContact N-O 3.08Å; D79-H88 PolarHBondContact O-N 2.86Å; D79-K190 WeakPolarHBondContact OD1-CE 3.27Å; D79-K190 IonicContact OD1-NZ 2.77Å; D79-K190 PolarHBondContact OD1-NZ 2.84Å
80Y93.3Very high94.8Very high16 Ų1640.7 Ų40.76%0.06322%0.216CC..EExtended strand (participates in β ladder)trans-110.5115.1175.1-177.1-94.9000108.9E82 K85 E86 L87 I146 R148 L151Y80-E82 HydrophobicContact CE1-CB 4.49Å; Y80-E82 VanDerWaalsContact CE1-OE2 3.3Å; Y80-E82 WeakPolarHBondContact CE1-OE2 3.17Å; Y80-E82 PolarHBondContact O-N 2.81Å; Y80-K85 WeakPolarHBondContact OH-CA 3.27Å; Y80-E86 WeakPolarHBondContact CD2-O 3.42Å; Y80-L87 HydrophobicContact CD2-CB 4.37Å; Y80-I146 HydrophobicContact CE2-CG2 4.49Å; Y80-I146 VanDerWaalsContact CE2-O 3.23Å; Y80-I146 WeakPolarHBondContact CE2-O 3.2Å; Y80-I146 PolarHBondContact OH-O 2.84Å; Y80-I146 VanDerWaalsContact OH-O 3.07Å; Y80-R148 HydrophobicContact CD1-CB 4.42Å; Y80-R148 HydrophobicContact CD1-CG 4.21Å; Y80-R148 HydrophobicContact CE1-CB 3.73Å; Y80-R148 HydrophobicContact CE1-CG 4.01Å; Y80-R148 PolarHBondContact OH-N 2.84Å; Y80-L151 HydrophobicContact CD2-CD2 3.53Å; Y80-L151 HydrophobicContact CE2-CD2 4.11Å; Y80-L151 HydrophobicContact CG-CD2 4.06Å
81V92.5Very high95.2Very high34 Ų3439.7 Ų39.721%0.20621%0.21CC..EExtended strand (participates in β ladder)trans-91.296.2-177.4-173.70000108.8S83 L84 K85 E86V81-S83 VanDerWaalsContact C-N 3.31Å; V81-S83 PolarHBondContact O-N 2.81Å; V81-L84 HydrophobicContact CB-CB 4.41Å; V81-L84 HydrophobicContact CG1-CB 4.14Å; V81-L84 HydrophobicContact CG1-CD1 3.96Å; V81-L84 HydrophobicContact CG1-CG 3.91Å; V81-L84 PolarHBondContact O-N 3.16Å; V81-L84 VanDerWaalsContact O-N 3.1Å; V81-K85 PolarHBondContact O-N 3.02Å; V81-E86 PolarHBondContact N-O 3.44Å; V81-E86 PolarHBondContact O-N 2.82Å
82E92.6Very high95.5Very high109 Ų10934.9 Ų34.951%0.50919%0.19SC..G310 helixtrans-56.6-41.7-173.3-162.566.3-120.700112.9Y80 L84 K85 R148Y80-E82 HydrophobicContact CE1-CB 4.49Å; Y80-E82 VanDerWaalsContact CE1-OE2 3.3Å; Y80-E82 WeakPolarHBondContact CE1-OE2 3.17Å; Y80-E82 PolarHBondContact O-N 2.81Å; E82-L84 PolarHBondContact O-N 3.09Å; E82-K85 PolarHBondContact O-N 2.83Å; E82-K85 VanDerWaalsContact O-N 3.17Å; E82-R148 WeakPolarHBondContact OE2-CD 3.04Å; E82-R148 IonicContact OE2-NE 3.73Å
83S95.1Very high95.6Very high110 Ų11037 Ų3777%0.76919%0.194SC*.G310 helixtrans-63.4-27-179.356.60000113.7V81V81-S83 VanDerWaalsContact C-N 3.31Å; V81-S83 PolarHBondContact O-N 2.81Å
84L94.7Very high95.6Very high90 Ų9035.4 Ų35.447%0.47118%0.183SC..G310 helixtrans-99.5-11.7179.4-62.4-179.2000112.7V81 E82 E86V81-L84 HydrophobicContact CB-CB 4.41Å; V81-L84 HydrophobicContact CG1-CB 4.14Å; V81-L84 HydrophobicContact CG1-CD1 3.96Å; V81-L84 HydrophobicContact CG1-CG 3.91Å; V81-L84 PolarHBondContact O-N 3.16Å; V81-L84 VanDerWaalsContact O-N 3.1Å; E82-L84 PolarHBondContact O-N 3.09Å; L84-E86 VanDerWaalsContact C-N 3.29Å; L84-E86 HydrophobicContact CB-CB 4.11Å; L84-E86 HydrophobicContact CB-CG 3.95Å
85K94Very high95.6Very high105 Ų10540.5 Ų40.546%0.45721%0.205SC..THydrogen-bonded Turntrans51.749.1-167.1-59-179.6169.3-167.20111.7Y80 V81 E82 I146 E147Y80-K85 WeakPolarHBondContact OH-CA 3.27Å; V81-K85 PolarHBondContact O-N 3.02Å; E82-K85 PolarHBondContact O-N 2.83Å; E82-K85 VanDerWaalsContact O-N 3.17Å; K85-I146 CarbonylContact C-O 3.54Å; K85-I146 PolarHBondContact O-N 3.44Å; K85-E147 HydrophobicContact CD-CG 4.35Å; K85-E147 IonicContact NZ-OE1 3.38Å; K85-E147 PolarHBondContact NZ-OE1 3.11Å
86E94.4Very high95.5Very high21 Ų2143.6 Ų43.610%0.09822%0.223CC..EExtended strand (participates in β ladder)trans-128135-175.8-72.7-179.3171.500112.5Y80 V81 L84 H88 Y144 K145Y80-E86 WeakPolarHBondContact CD2-O 3.42Å; V81-E86 PolarHBondContact N-O 3.44Å; V81-E86 PolarHBondContact O-N 2.82Å; L84-E86 VanDerWaalsContact C-N 3.29Å; L84-E86 HydrophobicContact CB-CB 4.11Å; L84-E86 HydrophobicContact CB-CG 3.95Å; E86-H88 IonicContact OE2-CD2 2.79Å; E86-H88 IonicContact OE2-CE1 2.83Å; E86-H88 IonicContact OE2-NE2 3.77Å; E86-H88 PolarHBondContact OE2-NE2 2.91Å; E86-Y144 CarbonylContact C-O 3.47Å; E86-Y144 WeakPolarHBondContact CA-O 3.48Å; E86-K145 HydrophobicContact CG-CG 3.87Å; E86-K145 VanDerWaalsContact OE1-CE 3.31Å; E86-K145 WeakPolarHBondContact OE1-CE 3.33Å
87L94Very high95.5Very high0 Ų043.8 Ų43.80%022%0.224CC..EExtended strand (participates in β ladder)trans-82.5124.6159.7172.872.5000108.9Y80 V89 L115 R143 Y144 I146 L151 L179 W184Y80-L87 HydrophobicContact CD2-CB 4.37Å; L87-V89 HydrophobicContact CD2-CG2 4.03Å; L87-V89 HydrophobicContact CG-CG2 4.17Å; L87-L115 HydrophobicContact CD2-CD1 4.31Å; L87-L115 HydrophobicContact CD2-CD2 3.8Å; L87-R143 WeakPolarHBondContact O-CA 3.28Å; L87-Y144 HydrophobicContact CD2-CD2 4.26Å; L87-Y144 PolarHBondContact N-O 3.17Å; L87-Y144 PolarHBondContact O-N 3.08Å; L87-I146 HydrophobicContact CB-CG2 4.06Å; L87-L151 HydrophobicContact CB-CD1 4.05Å; L87-L151 HydrophobicContact CD1-CD1 4.32Å; L87-L151 HydrophobicContact CD2-CD1 3.93Å; L87-L151 HydrophobicContact CG-CD1 4.31Å; L87-L179 HydrophobicContact CD2-CD1 4.29Å; L87-W184 HydrophobicContact CD1-CH2 3.51Å; L87-W184 HydrophobicContact CD1-CZ3 3.72Å
88H95.2Very high95.5Very high26 Ų2643.6 Ų43.612%0.1222%0.223CC..EExtended strand (participates in β ladder)trans-104.5119.1173.8-73.8-159.5000109.1D79 E86 I141D79-H88 PolarHBondContact N-O 2.91Å; D79-H88 VanDerWaalsContact N-O 3.08Å; D79-H88 PolarHBondContact O-N 2.86Å; E86-H88 IonicContact OE2-CD2 2.79Å; E86-H88 IonicContact OE2-CE1 2.83Å; E86-H88 IonicContact OE2-NE2 3.77Å; E86-H88 PolarHBondContact OE2-NE2 2.91Å; H88-I141 HydrophobicContact CB-CG2 3.77Å
89V96.1Very high95.4Very high0 Ų044.1 Ų44.10%023%0.227CC..EExtended strand (participates in β ladder)trans-103.9102172.6-172.70000107.8F76 L78 L87 V91 T113 L142 Y144 L156 L158F76-V89 HydrophobicContact CD2-CG1 4.32Å; L78-V89 HydrophobicContact CD2-CB 4.06Å; L78-V89 HydrophobicContact CD2-CG1 3.76Å; L78-V89 HydrophobicContact CD2-CG2 3.78Å; L87-V89 HydrophobicContact CD2-CG2 4.03Å; L87-V89 HydrophobicContact CG-CG2 4.17Å; V89-V91 HydrophobicContact CG1-CG2 4.19Å; V89-V91 PolarHBondContact O-N 2.81Å; V89-T113 HydrophobicContact CG1-CG2 4.2Å; V89-L142 HydrophobicContact CB-CB 4.3Å; V89-L142 PolarHBondContact N-O 2.86Å; V89-L142 PolarHBondContact O-N 2.93Å; V89-Y144 HydrophobicContact CG2-CD2 4.34Å; V89-Y144 HydrophobicContact CG2-CE2 4.28Å; V89-L156 HydrophobicContact CG1-CD2 4.38Å; V89-L156 HydrophobicContact CG2-CD1 4.18Å; V89-L156 HydrophobicContact CG2-CD2 4.3Å; V89-L158 HydrophobicContact CG1-CD1 4.39Å
90F96.9Very high95.3Very high66 Ų6642.9 Ų42.929%0.28923%0.225SC..EExtended strand (participates in β ladder)trans-87.2106178.8178-132000110.1F76 A77 A92 N139 I141 L192F76-F90 CarbonylContact C-O 3.51Å; F76-F90 WeakPolarHBondContact CA-O 3.39Å; F76-F90 WeakPolarHBondContact CB-O 3.15Å; A77-F90 PolarHBondContact N-O 2.96Å; A77-F90 PolarHBondContact O-N 2.82Å; F90-A92 HydrophobicContact CE1-CB 4.38Å; F90-A92 HydrophobicContact CZ-CB 4.5Å; F90-N139 HydrophobicContact CE2-CB 4.37Å; F90-I141 HydrophobicContact CB-CG1 4.32Å; F90-I141 HydrophobicContact CD2-CG1 3.7Å; F90-I141 HydrophobicContact CE2-CG1 4.5Å; F90-I141 HydrophobicContact CG-CG1 4.37Å; F90-L192 HydrophobicContact CD1-CD2 3.61Å; F90-L192 HydrophobicContact CD1-CG 4.26Å; F90-L192 HydrophobicContact CE1-CD1 4.01Å; F90-L192 HydrophobicContact CE1-CD2 3.78Å; F90-L192 HydrophobicContact CE1-CG 4.15Å
91V98Very high95Very high0 Ų044.3 Ų44.30%023%0.234CC..EExtended strand (participates in β ladder)trans-94.1107.7179.1-175.10000108.3V89 V111 T127 Y138 N139 E140 L142 L158V89-V91 HydrophobicContact CG1-CG2 4.19Å; V89-V91 PolarHBondContact O-N 2.81Å; V91-V111 HydrophobicContact CG1-CB 4.15Å; V91-V111 HydrophobicContact CG1-CG1 4.3Å; V91-V111 HydrophobicContact CG1-CG2 3.83Å; V91-V111 HydrophobicContact CG2-CG1 4.33Å; V91-T127 HydrophobicContact CB-CG2 4.11Å; V91-T127 HydrophobicContact CG1-CG2 4.14Å; V91-T127 HydrophobicContact CG2-CG2 4.35Å; V91-Y138 HydrophobicContact CG1-CD2 3.86Å; V91-Y138 HydrophobicContact CG1-CE2 4.46Å; V91-Y138 HydrophobicContact CG1-CG 4.45Å; V91-N139 WeakPolarHBondContact O-CA 3.23Å; V91-N139 PolarHBondContact O-N 2.99Å; V91-N139 VanDerWaalsContact O-N 3.15Å; V91-E140 PolarHBondContact N-O 2.83Å; V91-E140 PolarHBondContact O-N 3.38Å; V91-E140 VanDerWaalsContact O-N 3.08Å; V91-L142 HydrophobicContact CG2-CD1 4.1Å; V91-L142 HydrophobicContact CG2-CG 4.39Å; V91-L158 HydrophobicContact CG2-CD1 4.39Å
92A97.9Very high94.7Very high2 Ų247.3 Ų47.32%0.01725%0.251CS..EExtended strand (participates in β ladder)trans-82.7-64.3-177.500000111.2Q75 F90 Y138 N139 L192Q75-A92 HydrophobicContact CB-CB 4.39Å; Q75-A92 PolarHBondContact O-N 3.28Å; F90-A92 HydrophobicContact CE1-CB 4.38Å; F90-A92 HydrophobicContact CZ-CB 4.5Å; A92-Y138 PolarHBondContact O-N 3.32Å; A92-N139 PolarHBondContact O-N 2.95Å; A92-N139 VanDerWaalsContact O-N 3.08Å; A92-L192 HydrophobicContact CB-CD1 3.92Å; A92-L192 HydrophobicContact CB-CD2 3.62Å; A92-L192 HydrophobicContact CB-CG 4.43Å
93Q98.4Very high94.4Very high64 Ų6451.7 Ų51.730%0.29927%0.269SS..EExtended strand (participates in β ladder)trans-160.9165-171.655-178.8-2.300112.2Q75 P136 V137 W194Q75-Q93 HydrophobicContact CB-CG 3.98Å; Q75-Q93 PolarHBondContact N-O 2.97Å; Q75-Q93 PolarHBondContact O-N 2.95Å; Q93-P136 CarbonylContact C-O 3.53Å; Q93-P136 WeakPolarHBondContact CA-O 3.39Å; Q93-P136 VanDerWaalsContact CB-O 3.28Å; Q93-P136 WeakPolarHBondContact CB-O 3.26Å; Q93-V137 HydrophobicContact CB-CB 4.48Å; Q93-V137 HydrophobicContact CB-CG2 4.16Å; Q93-W194 HydrophobicContact CG-CH2 3.7Å; Q93-W194 HydrophobicContact CG-CZ2 4.1Å; Q93-W194 VanDerWaalsContact NE2-CZ2 3.35Å
94C98.6Very high94.3Very high2 Ų252.4 Ų52.41%0.01426%0.258CS..EExtended strand (participates in β ladder)trans-117.5160.8164.4-55.50000110.7S73 L97 N135 P136S73-C94 CarbonylContact O-C 3.54Å; S73-C94 VanDerWaalsContact O-CA 3.26Å; S73-C94 WeakPolarHBondContact O-CA 3.4Å; S73-C94 WeakPolarHBondContact O-CB 3.2Å; C94-L97 HydrophobicContact CB-CD1 3.76Å; C94-L97 HydrophobicContact CB-CD2 3.75Å; C94-L97 HydrophobicContact CB-CG 3.77Å; C94-N135 CarbonylContact O-C 3.49Å; C94-N135 VanDerWaalsContact O-CA 3.3Å; C94-N135 WeakPolarHBondContact O-CA 3.47Å; C94-P136 HydrophobicContact CB-CG 3.75Å; C94-P136 PolarHBondContact N-O 2.92Å
95K97.9Very high94.2Very high108 Ų10853.9 Ų53.947%0.4726%0.263SS..EExtended strand (participates in β ladder)trans-135.7141.7177.4-165.1-167172.8-169.20111.1G72 S73 L97 N135 W194G72-K95 CarbonylContact C-O 3.43Å; G72-K95 WeakPolarHBondContact CA-O 3.36Å; S73-K95 PolarHBondContact N-O 2.84Å; S73-K95 PolarHBondContact O-N 3.19Å; K95-L97 VanDerWaalsContact C-N 3.27Å; K95-L97 PolarHBondContact O-N 2.63Å; K95-N135 VanDerWaalsContact CA-OD1 3.26Å; K95-N135 WeakPolarHBondContact CA-OD1 3.12Å; K95-N135 WeakPolarHBondContact CG-OD1 3.31Å; K95-W194 HydrophobicContact CB-CH2 3.71Å; K95-W194 HydrophobicContact CB-CZ3 3.7Å
96D97.2Very high94.1Very high91 Ų9152.4 Ų52.449%0.48725%0.254SS..SBendtrans55.338172.1-54.6-40.6000113.6K71 G72 L134 N135K71-D96 CarbonylContact C-O 3.51Å; G72-D96 WeakPolarHBondContact CA-O 3.37Å; G72-D96 PolarHBondContact N-O 2.82Å; D96-L134 PolarHBondContact N-O 2.83Å; D96-N135 PolarHBondContact N-OD1 3.24Å
97L97.3Very high94.2Very high5 Ų551.4 Ų51.43%0.02625%0.25CC..  trans-62.1153.1179-65.4-178.8000111.8C94 K95 P109 L134 P136 V160 L172 L197C94-L97 HydrophobicContact CB-CD1 3.76Å; C94-L97 HydrophobicContact CB-CD2 3.75Å; C94-L97 HydrophobicContact CB-CG 3.77Å; K95-L97 VanDerWaalsContact C-N 3.27Å; K95-L97 PolarHBondContact O-N 2.63Å; L97-P109 HydrophobicContact CD1-CB 3.58Å; L97-P109 HydrophobicContact CD1-CG 3.96Å; L97-L134 HydrophobicContact CB-CB 4.37Å; L97-L134 WeakPolarHBondContact CB-O 3.45Å; L97-L134 VanDerWaalsContact CG-O 3.3Å; L97-L134 WeakPolarHBondContact CG-O 3.43Å; L97-L134 PolarHBondContact N-O 3.09Å; L97-L134 WeakPolarHBondContact O-CD2 3.26Å; L97-P136 HydrophobicContact CD1-CG 3.85Å; L97-V160 HydrophobicContact CD1-CG1 3.93Å; L97-V160 HydrophobicContact CD2-CG1 4.12Å; L97-L172 HydrophobicContact CD1-CD1 4.28Å; L97-L197 HydrophobicContact CD2-CD1 3.31Å
98A94.3Very high94.3Very high7 Ų753.1 Ų53.16%0.05826%0.259CS..  trans-62139.3171.400000112L68 E69 A100 S107 L172L68-A98 HydrophobicContact CD2-CB 3.51Å; L68-A98 HydrophobicContact CG-CB 3.91Å; E69-A98 WeakPolarHBondContact O-CB 3.37Å; A98-A100 PolarHBondContact O-N 2.92Å; A98-S107 PolarHBondContact O-OG 3.45Å; A98-L172 HydrophobicContact CB-CD2 4.32Å
99A93.4Very high94.4Very high13 Ų1351.9 Ų51.911%0.10725%0.253CS..  trans-84.9109.417700000111L68 D101 L134L68-A99 WeakPolarHBondContact CD1-O 3.48Å; A99-D101 VanDerWaalsContact C-N 3.33Å; A99-L134 HydrophobicContact CB-CD1 4.27Å; A99-L134 HydrophobicContact CB-CD2 4.01Å
100A89.1Confident94.5Very high31 Ų3152.3 Ų52.326%0.25625%0.254SS..SBendtrans-68.3-34.9174.900000111.8A98 R106 S107 H162A98-A100 PolarHBondContact O-N 2.92Å; A100-R106 PolarHBondContact N-O 2.97Å; A100-S107 PolarHBondContact N-OG 3.19Å; A100-H162 HydrophobicContact CB-CB 3.77Å
101D87.9Confident94.5Very high47 Ų4749.1 Ų49.125%0.25124%0.241SC..BIsolated β-bridgetrans-94.790.3166.1-174-18000108.9A99 K103 K104 Q105 R106A99-D101 VanDerWaalsContact C-N 3.33Å; D101-K103 PolarHBondContact O-N 3.38Å; D101-K103 PolarHBondContact OD1-N 3.43Å; D101-K104 HydrophobicContact CB-CB 4.42Å; D101-K104 CarbonylContact O-C 3.56Å; D101-K104 PolarHBondContact O-N 3.45Å; D101-K104 PolarHBondContact OD1-N 2.96Å; D101-K104 VanDerWaalsContact OD2-CD 3.23Å; D101-K104 WeakPolarHBondContact OD2-CD 3.36Å; D101-K104 WeakPolarHBondContact OD2-CG 3.42Å; D101-Q105 WeakPolarHBondContact O-CA 3.3Å; D101-Q105 PolarHBondContact O-N 3.38Å; D101-R106 HydrophobicContact CB-CG 4.2Å; D101-R106 PolarHBondContact N-O 2.89Å; D101-R106 VanDerWaalsContact N-O 3.07Å; D101-R106 PolarHBondContact O-N 2.99Å; D101-R106 IonicContact OD2-NE 2.92Å
102V85.3Confident94.4Very high96 Ų9649.6 Ų49.658%0.58224%0.243SC*.THydrogen-bonded Turntrans-60.2-34.6-178.7-178.10000111.7Q105V102-Q105 PolarHBondContact O-NE2 2.85Å
103K87.8Confident94.3Very high201 Ų20149.5 Ų49.587%0.87424%0.242SC*.THydrogen-bonded Turntrans-68.2-38.2-179.9-68.8-173.6177.5-175.60111.6D101D101-K103 PolarHBondContact O-N 3.38Å; D101-K103 PolarHBondContact OD1-N 3.43Å
104K91.5Very high93.9Very high125 Ų12546.6 Ų46.654%0.54323%0.228SC..THydrogen-bonded Turntrans-100.62.9-177.8-58.9-175.4-169.6163.80114D101 R106D101-K104 HydrophobicContact CB-CB 4.42Å; D101-K104 CarbonylContact O-C 3.56Å; D101-K104 PolarHBondContact O-N 3.45Å; D101-K104 PolarHBondContact OD1-N 2.96Å; D101-K104 VanDerWaalsContact OD2-CD 3.23Å; D101-K104 WeakPolarHBondContact OD2-CD 3.36Å; D101-K104 WeakPolarHBondContact OD2-CG 3.42Å; K104-R106 VanDerWaalsContact C-N 3.27Å; K104-R106 HydrophobicContact CB-CG 3.9Å; K104-R106 VanDerWaalsContact CD-NH2 3.34Å; K104-R106 PolarHBondContact O-N 3.13Å
105Q92.6Very high93.5Very high121 Ų12146.7 Ų46.757%0.56523%0.229SC*.THydrogen-bonded Turntrans48.147.5-179-68.4-64.8-47.200112.9D101 V102D101-Q105 WeakPolarHBondContact O-CA 3.3Å; D101-Q105 PolarHBondContact O-N 3.38Å; V102-Q105 PolarHBondContact O-NE2 2.85Å
106R93.4Very high92.9Very high75 Ų7542.4 Ų42.428%0.28321%0.211SC..BIsolated β-bridgetrans-145.9158.6-17671.9-170.9-172.8-178.56.9113.3A100 D101 K104A100-R106 PolarHBondContact N-O 2.97Å; D101-R106 HydrophobicContact CB-CG 4.2Å; D101-R106 PolarHBondContact N-O 2.89Å; D101-R106 VanDerWaalsContact N-O 3.07Å; D101-R106 PolarHBondContact O-N 2.99Å; D101-R106 IonicContact OD2-NE 2.92Å; K104-R106 VanDerWaalsContact C-N 3.27Å; K104-R106 HydrophobicContact CB-CG 3.9Å; K104-R106 VanDerWaalsContact CD-NH2 3.34Å; K104-R106 PolarHBondContact O-N 3.13Å
107S95.2Very high92Very high0 Ų040 Ų400%020%0.2CC..  trans-135.9160.8172.7-730000109.6A98 A100 P109 K132 T133 H162A98-S107 PolarHBondContact O-OG 3.45Å; A100-S107 PolarHBondContact N-OG 3.19Å; S107-P109 WeakPolarHBondContact O-CD 3.31Å; S107-K132 CarbonylContact O-C 3.51Å; S107-K132 VanDerWaalsContact O-CA 3.26Å; S107-K132 WeakPolarHBondContact O-CA 3.2Å; S107-K132 PolarHBondContact O-N 2.87Å; S107-T133 PolarHBondContact O-N 3.2Å; S107-T133 VanDerWaalsContact O-O 3.04Å; S107-H162 WeakPolarHBondContact CA-ND1 3.09Å
108D96.7Very high90.7Very high35 Ų3542 Ų4219%0.18721%0.211CC..  trans-106.371.6165.7-63.1-21.2000108.7V129 V130 K131 K132 H162 R163D108-V129 HydrophobicContact CB-CG1 3.95Å; D108-V130 CarbonylContact C-O 3.52Å; D108-V130 VanDerWaalsContact CA-O 3.3Å; D108-V130 WeakPolarHBondContact CA-O 3.45Å; D108-K131 WeakPolarHBondContact OD1-CA 2.81Å; D108-K132 PolarHBondContact OD1-N 2.79Å; D108-H162 PolarHBondContact N-CE1 2.86Å; D108-H162 PolarHBondContact N-ND1 3.45Å; D108-R163 HydrophobicContact CB-CB 4.4Å; D108-R163 PolarHBondContact O-N 2.85Å
109P97.7Very high89Confident0 Ų050 Ų500%024%0.244CC..EExtended strand (participates in β ladder)trans-72150-170.331.2-41.1000114.1L97 S107 V130 T133 P136 Y138 V160 W161 L172L97-P109 HydrophobicContact CD1-CB 3.58Å; L97-P109 HydrophobicContact CD1-CG 3.96Å; S107-P109 WeakPolarHBondContact O-CD 3.31Å; P109-V130 WeakPolarHBondContact CD-O 3.35Å; P109-V130 PolarHBondContact O-N 3.39Å; P109-T133 VanDerWaalsContact CD-O 3.27Å; P109-T133 WeakPolarHBondContact CD-O 3.49Å; P109-T133 HydrophobicContact CG-CG2 4.01Å; P109-P136 HydrophobicContact CB-CG 4.04Å; P109-P136 HydrophobicContact CG-CB 3.7Å; P109-P136 HydrophobicContact CG-CG 3.5Å; P109-Y138 WeakPolarHBondContact CB-OH 3.4Å; P109-Y138 PolarHBondContact O-OH 3.47Å; P109-V160 HydrophobicContact CB-CG1 4.37Å; P109-W161 CarbonylContact C-O 3.37Å; P109-W161 WeakPolarHBondContact CA-O 3.46Å; P109-L172 HydrophobicContact CB-CD1 4.15Å
110Y97.9Very high87.2Confident9 Ų951.3 Ų51.34%0.03526%0.26CS..EExtended strand (participates in β ladder)trans-149.1155.8164.967.6-77.6000110.1K112 K126 L128 V129 Y138 W161 R163 N169Y110-K112 HydrophobicContact CD2-CG 4.16Å; Y110-K112 HydrophobicContact CE2-CD 3.7Å; Y110-K112 HydrophobicContact CE2-CG 3.66Å; Y110-K112 WeakPolarHBondContact OH-CE 3.33Å; Y110-K112 PolarHBondContact OH-NZ 3.15Å; Y110-K126 HydrophobicContact CD2-CB 4.48Å; Y110-L128 WeakPolarHBondContact CB-O 3.39Å; Y110-V129 HydrophobicContact CD1-CG2 3.95Å; Y110-V129 HydrophobicContact CG-CG2 3.99Å; Y110-Y138 WeakPolarHBondContact CA-OH 3.3Å; Y110-Y138 PolarHBondContact N-OH 2.87Å; Y110-W161 HydrophobicContact CD1-CB 3.99Å; Y110-W161 WeakPolarHBondContact CD1-O 3.28Å; Y110-W161 HydrophobicContact CE1-CB 3.38Å; Y110-W161 HydrophobicContact CE1-CG 4.44Å; Y110-W161 HydrophobicContact CE2-CB 4.03Å; Y110-W161 HydrophobicContact CE2-CG 4.38Å; Y110-W161 AromaticContact CZ-CG 3.99Å; Y110-W161 PolarHBondContact N-O 2.95Å; Y110-W161 PolarHBondContact O-N 2.86Å; Y110-R163 HydrophobicContact CD1-CB 4.11Å; Y110-R163 HydrophobicContact CE1-CB 4Å; Y110-N169 PolarHBondContact OH-ND2 2.86Å
111V97.3Very high85.8Confident0 Ų058.3 Ų58.30%028%0.284CS..EExtended strand (participates in β ladder)trans-102.3138.6178.9-178.60000109.8V91 T113 K126 T127 Y138 L158 S159 V160V91-V111 HydrophobicContact CG1-CB 4.15Å; V91-V111 HydrophobicContact CG1-CG1 4.3Å; V91-V111 HydrophobicContact CG1-CG2 3.83Å; V91-V111 HydrophobicContact CG2-CG1 4.33Å; V111-T113 HydrophobicContact CG1-CG2 4.45Å; V111-K126 CarbonylContact O-C 3.5Å; V111-K126 WeakPolarHBondContact O-CA 3.44Å; V111-K126 WeakPolarHBondContact O-CB 3.44Å; V111-T127 HydrophobicContact CB-CG2 3.94Å; V111-T127 PolarHBondContact N-OG1 3.38Å; V111-T127 PolarHBondContact O-N 2.72Å; V111-Y138 HydrophobicContact CG2-CD2 4.35Å; V111-Y138 HydrophobicContact CG2-CE2 3.71Å; V111-L158 HydrophobicContact CG1-CD1 4.07Å; V111-L158 HydrophobicContact CG1-CD2 3.55Å; V111-L158 HydrophobicContact CG1-CG 3.56Å; V111-S159 CarbonylContact C-O 3.57Å; V111-S159 WeakPolarHBondContact CA-O 3.41Å; V111-V160 HydrophobicContact CG2-CG2 4.23Å
112K95.3Very high84.9Confident10 Ų1058.3 Ų58.34%0.04328%0.283CS..EExtended strand (participates in β ladder)trans-116.1141.4168.5-79.5164.1161.8156.30108.9Y110 Y114 K124 K125 K126 L158 S159 W161Y110-K112 HydrophobicContact CD2-CG 4.16Å; Y110-K112 HydrophobicContact CE2-CD 3.7Å; Y110-K112 HydrophobicContact CE2-CG 3.66Å; Y110-K112 WeakPolarHBondContact OH-CE 3.33Å; Y110-K112 PolarHBondContact OH-NZ 3.15Å; K112-Y114 HydrophobicContact CB-CE2 4.32Å; K112-K124 HydrophobicContact CB-CG 4.5Å; K112-K124 HydrophobicContact CD-CD 4.01Å; K112-K124 HydrophobicContact CG-CD 3.98Å; K112-K124 HydrophobicContact CG-CG 4.26Å; K112-K125 WeakPolarHBondContact CA-O 3.35Å; K112-K126 HydrophobicContact CG-CB 4.07Å; K112-L158 CarbonylContact O-C 3.48Å; K112-L158 WeakPolarHBondContact O-CA 3.31Å; K112-S159 PolarHBondContact N-O 3.03Å; K112-S159 PolarHBondContact O-N 2.89Å; K112-W161 HydrophobicContact CD-CD2 4.37Å; K112-W161 HydrophobicContact CD-CG 4.14Å
113T94.7Very high84.3Confident0 Ų054.4 Ų54.40%026%0.263CS..EExtended strand (participates in β ladder)trans-121.3154.1169.857.40000110.7V89 V111 K125 L142 Y144 L156 N157 L158V89-T113 HydrophobicContact CG1-CG2 4.2Å; V111-T113 HydrophobicContact CG1-CG2 4.45Å; T113-K125 PolarHBondContact N-O 2.84Å; T113-K125 PolarHBondContact O-N 3.31Å; T113-L142 HydrophobicContact CG2-CD1 3.82Å; T113-L142 WeakPolarHBondContact OG1-CD1 3.25Å; T113-Y144 WeakPolarHBondContact CB-OH 3.49Å; T113-Y144 PolarHBondContact O-OH 3.13Å; T113-Y144 WeakPolarHBondContact OG1-CE2 3.33Å; T113-Y144 PolarHBondContact OG1-OH 2.97Å; T113-L156 HydrophobicContact CG2-CD1 4.45Å; T113-N157 CarbonylContact C-O 3.51Å; T113-N157 VanDerWaalsContact CA-O 3.23Å; T113-N157 WeakPolarHBondContact CA-O 3.25Å; T113-L158 HydrophobicContact CG2-CB 4.06Å; T113-L158 HydrophobicContact CG2-CD1 4.01Å; T113-L158 HydrophobicContact CG2-CG 3.84Å
114Y91.2Very high84.3Confident3 Ų346.5 Ų46.51%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-142.3144172.6-68.1-89.2000109.8S56 V57 S59 V60 K112 K124 Y144 L156 N157S56-Y114 WeakPolarHBondContact O-CE1 3.28Å; S56-Y114 PolarHBondContact O-OH 2.74Å; V57-Y114 HydrophobicContact CB-CE1 4.49Å; V57-Y114 HydrophobicContact CG1-CD1 3.84Å; V57-Y114 HydrophobicContact CG1-CE1 4.16Å; S59-Y114 PolarHBondContact OG-OH 2.87Å; V60-Y114 HydrophobicContact CG2-CD1 4.25Å; V60-Y114 HydrophobicContact CG2-CD2 3.26Å; V60-Y114 HydrophobicContact CG2-CE1 4.32Å; V60-Y114 HydrophobicContact CG2-CE2 3.37Å; V60-Y114 HydrophobicContact CG2-CG 3.72Å; K112-Y114 HydrophobicContact CB-CE2 4.32Å; Y114-K124 HydrophobicContact CD1-CB 4.18Å; Y114-K124 HydrophobicContact CE1-CB 3.51Å; Y114-K124 HydrophobicContact CE1-CD 4.27Å; Y114-K124 HydrophobicContact CE1-CG 3.88Å; Y114-K124 HydrophobicContact CE2-CD 4.23Å; Y114-K124 HydrophobicContact CE2-CG 4.01Å; Y114-K124 WeakPolarHBondContact OH-CD 3.21Å; Y114-Y144 PolarHBondContact N-OH 2.95Å; Y114-L156 WeakPolarHBondContact O-CA 3.2Å; Y114-N157 PolarHBondContact N-O 2.84Å; Y114-N157 PolarHBondContact O-N 2.88Å
115L90.1Very high84.4Confident4 Ų444 Ų442%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-96.2126.6160.2-65.1-179.7000108.1L87 D118 Y144 I146 K155 L156 L179L87-L115 HydrophobicContact CD2-CD1 4.31Å; L87-L115 HydrophobicContact CD2-CD2 3.8Å; L115-D118 PolarHBondContact O-N 3.21Å; L115-Y144 HydrophobicContact CD1-CD1 3.76Å; L115-Y144 HydrophobicContact CD1-CD2 4.29Å; L115-Y144 HydrophobicContact CD1-CE1 4.42Å; L115-Y144 HydrophobicContact CD1-CG 3.69Å; L115-Y144 HydrophobicContact CG-CD1 3.96Å; L115-Y144 HydrophobicContact CG-CD2 4.33Å; L115-Y144 HydrophobicContact CG-CE1 4.13Å; L115-Y144 HydrophobicContact CG-CE2 4.49Å; L115-Y144 HydrophobicContact CG-CG 4.08Å; L115-I146 HydrophobicContact CD1-CD1 3.93Å; L115-I146 HydrophobicContact CD1-CG2 4.24Å; L115-K155 WeakPolarHBondContact CA-O 3.47Å; L115-L156 HydrophobicContact CD2-CB 4.36Å; L115-L156 HydrophobicContact CD2-CD1 3.98Å; L115-L179 HydrophobicContact CD2-CD1 3.71Å
116L85.5Confident84.6Confident17 Ų1743.5 Ų43.59%0.08921%0.213CC..EExtended strand (participates in β ladder)trans-120.2135.1-175.9-56.8178.3000109.8V57 V60 Q154 K155 N157V57-L116 HydrophobicContact CB-CD2 4.46Å; V57-L116 HydrophobicContact CG1-CD2 3.71Å; V60-L116 HydrophobicContact CG1-CD1 4.13Å; L116-Q154 VanDerWaalsContact C-OE1 3.22Å; L116-Q154 CarbonylContact O-C 3.38Å; L116-Q154 VanDerWaalsContact O-CA 3.27Å; L116-Q154 WeakPolarHBondContact O-CA 3.31Å; L116-Q154 PolarHBondContact O-OE1 2.89Å; L116-K155 PolarHBondContact N-O 2.8Å; L116-K155 PolarHBondContact O-N 2.83Å; L116-N157 HydrophobicContact CD1-CB 3.74Å; L116-N157 HydrophobicContact CG-CB 4.34Å
117P78.5Confident84.8Confident40 Ų4040.1 Ų40.126%0.2620%0.201SC..SBendcis-72.1135.9-6.229.4-33.4000111.3K119 Q154P117-K119 HydrophobicContact CB-CG 4.11Å; P117-K119 HydrophobicContact CG-CD 3.98Å; P117-K119 HydrophobicContact CG-CG 3.97Å; P117-K119 PolarHBondContact O-N 2.82Å; P117-Q154 PolarHBondContact O-NE2 2.87Å; P117-Q154 PolarHBondContact O-OE1 2.93Å
118D69.2Low84.9Confident49 Ų4946.2 Ų46.226%0.26223%0.233SC..  trans-72.471.4177-174.711.6000110.6V57 L115 G120 K121 M122V57-D118 HydrophobicContact CG1-CB 3.88Å; L115-D118 PolarHBondContact O-N 3.21Å; D118-G120 PolarHBondContact O-N 3.4Å; D118-K121 PolarHBondContact OD1-N 2.84Å; D118-M122 PolarHBondContact OD1-N 3.47Å
119K58.5Low84.9Confident173 Ų17346.6 Ų46.675%0.75224%0.236SC*.  trans-75-9.7-179-71.5-178.9174.2176.50112.7P117P117-K119 HydrophobicContact CB-CG 4.11Å; P117-K119 HydrophobicContact CG-CD 3.98Å; P117-K119 HydrophobicContact CG-CG 3.97Å; P117-K119 PolarHBondContact O-N 2.82Å
120G55.6Low84.9Confident42 Ų4248.7 Ų48.743%0.43325%0.249SC..SBendtrans-127.810.6-16400000116.7D118 M122D118-G120 PolarHBondContact O-N 3.4Å; G120-M122 PolarHBondContact O-N 2.86Å
121K59.4Low84.9Confident178 Ų17855 Ų5577%0.77428%0.277SS*.  trans56.427.8-172-50.6172.6-178.5168.40112.1D118 G123D118-K121 PolarHBondContact OD1-N 2.84Å; K121-G123 PolarHBondContact O-N 2.74Å; K121-G123 VanDerWaalsContact O-N 3.16Å
122M70.5Confident84.8Confident46 Ų4661.5 Ų61.523%0.22731%0.305CS..  trans-63.5-26.8-179.5-61.2100.3171.500110.5D118 G120 K125 Y144 I146D118-M122 PolarHBondContact OD1-N 3.47Å; G120-M122 PolarHBondContact O-N 2.86Å; M122-K125 WeakPolarHBondContact O-CE 3.14Å; M122-Y144 HydrophobicContact CB-CD1 3.96Å; M122-I146 HydrophobicContact CE-CD1 4.04Å; M122-I146 HydrophobicContact CE-CG1 4.19Å
123G72.8Confident84.9Confident15 Ų1562.6 Ų62.616%0.15531%0.313CS..  trans72.3151.7166.300000112.7K121 K125 Y144K121-G123 PolarHBondContact O-N 2.74Å; K121-G123 VanDerWaalsContact O-N 3.16Å; G123-K125 PolarHBondContact O-N 3.06Å; G123-Y144 VanDerWaalsContact O-CE1 3.31Å; G123-Y144 WeakPolarHBondContact O-CE1 3.36Å
124K87.1Confident85.1Confident34 Ų3464.3 Ų64.315%0.14832%0.321CS..  trans-48.3131.2172.5-175.7-178.477.1-144.40112.8S52 S54 G55 K112 Y114S52-K124 PolarHBondContact O-NZ 2.93Å; S54-K124 PolarHBondContact O-NZ 2.77Å; G55-K124 PolarHBondContact O-N 3.22Å; K112-K124 HydrophobicContact CB-CG 4.5Å; K112-K124 HydrophobicContact CD-CD 4.01Å; K112-K124 HydrophobicContact CG-CD 3.98Å; K112-K124 HydrophobicContact CG-CG 4.26Å; Y114-K124 HydrophobicContact CD1-CB 4.18Å; Y114-K124 HydrophobicContact CE1-CB 3.51Å; Y114-K124 HydrophobicContact CE1-CD 4.27Å; Y114-K124 HydrophobicContact CE1-CG 3.88Å; Y114-K124 HydrophobicContact CE2-CD 4.23Å; Y114-K124 HydrophobicContact CE2-CG 4.01Å; Y114-K124 WeakPolarHBondContact OH-CD 3.21Å
125K93.6Very high85.4Confident73 Ų7367.8 Ų67.832%0.31734%0.34SS..EExtended strand (participates in β ladder)trans-106153.2161.9-50.5-65167.5173.10109.5K112 T113 M122 G123 L142 R143 Y144K112-K125 WeakPolarHBondContact CA-O 3.35Å; T113-K125 PolarHBondContact N-O 2.84Å; T113-K125 PolarHBondContact O-N 3.31Å; M122-K125 WeakPolarHBondContact O-CE 3.14Å; G123-K125 PolarHBondContact O-N 3.06Å; K125-L142 HydrophobicContact CB-CB 3.84Å; K125-L142 HydrophobicContact CB-CD1 4.16Å; K125-L142 HydrophobicContact CB-CD2 4.3Å; K125-L142 HydrophobicContact CB-CG 4.32Å; K125-R143 WeakPolarHBondContact CE-O 3.39Å; K125-Y144 HydrophobicContact CB-CE2 4.32Å; K125-Y144 HydrophobicContact CG-CD1 4.27Å; K125-Y144 HydrophobicContact CG-CD2 4.36Å; K125-Y144 HydrophobicContact CG-CE1 3.7Å; K125-Y144 HydrophobicContact CG-CE2 3.78Å; K125-Y144 VanDerWaalsContact CG-CZ 3.4Å; K125-Y144 WeakPolarHBondContact CG-OH 3.48Å; K125-Y144 PolarHBondContact N-OH 2.59Å
126K95.7Very high85.8Confident110 Ų11067.7 Ų67.748%0.47834%0.34SS..EExtended strand (participates in β ladder)trans-148.9152.5179.365.4174.5-174.6173.80111.3Y110 V111 K112 L142Y110-K126 HydrophobicContact CD2-CB 4.48Å; V111-K126 CarbonylContact O-C 3.5Å; V111-K126 WeakPolarHBondContact O-CA 3.44Å; V111-K126 WeakPolarHBondContact O-CB 3.44Å; K112-K126 HydrophobicContact CG-CB 4.07Å; K126-L142 VanDerWaalsContact O-CD2 3.3Å; K126-L142 WeakPolarHBondContact O-CD2 3.37Å
127T98Very high86.4Confident5 Ų570.5 Ų70.53%0.03136%0.357CS..PPolyproline II helixtrans-77.8172.7168.4650000111.1V91 V111 Y138 E140 L142V91-T127 HydrophobicContact CB-CG2 4.11Å; V91-T127 HydrophobicContact CG1-CG2 4.14Å; V91-T127 HydrophobicContact CG2-CG2 4.35Å; V111-T127 HydrophobicContact CB-CG2 3.94Å; V111-T127 PolarHBondContact N-OG1 3.38Å; V111-T127 PolarHBondContact O-N 2.72Å; T127-Y138 HydrophobicContact CG2-CD1 4.16Å; T127-Y138 HydrophobicContact CG2-CG 4.14Å; T127-Y138 WeakPolarHBondContact OG1-CD1 3.33Å; T127-Y138 WeakPolarHBondContact OG1-CE1 3.42Å; T127-E140 VanDerWaalsContact CA-OE2 3.28Å; T127-E140 WeakPolarHBondContact CA-OE2 3.43Å; T127-E140 WeakPolarHBondContact CB-OE1 3.32Å; T127-E140 HydrophobicContact CG2-CB 4.22Å; T127-L142 HydrophobicContact CG2-CD1 4.3Å; T127-L142 HydrophobicContact CG2-CD2 4.36Å
128L97.1Very high87.3Confident128 Ų12869.5 Ų69.567%0.6735%0.349SS*.PPolyproline II helixtrans-63.8161.6161-61.7178.1000111Y110 Y138 E140Y110-L128 WeakPolarHBondContact CB-O 3.39Å; L128-Y138 WeakPolarHBondContact O-CE1 2.97Å; L128-E140 WeakPolarHBondContact CB-OE1 3.21Å; L128-E140 PolarHBondContact N-OE1 3.49Å; L128-E140 PolarHBondContact N-OE2 3.35Å
129V97.7Very high88.7Confident42 Ų4272.1 Ų72.126%0.25536%0.363SS..PPolyproline II helixtrans-91.7121.7176.1179.20000108.3D108 Y110 R163D108-V129 HydrophobicContact CB-CG1 3.95Å; Y110-V129 HydrophobicContact CD1-CG2 3.95Å; Y110-V129 HydrophobicContact CG-CG2 3.99Å; V129-R163 HydrophobicContact CG1-CB 3.91Å; V129-R163 HydrophobicContact CG2-CB 4.17Å
130V97.9Very high90.5Very high44 Ų4466.1 Ų66.127%0.26734%0.337SS..PPolyproline II helixtrans-95.5122.6173-173.40000107.5D108 P109 T133 P136 Y138D108-V130 CarbonylContact C-O 3.52Å; D108-V130 VanDerWaalsContact CA-O 3.3Å; D108-V130 WeakPolarHBondContact CA-O 3.45Å; P109-V130 WeakPolarHBondContact CD-O 3.35Å; P109-V130 PolarHBondContact O-N 3.39Å; V130-T133 HydrophobicContact CB-CG2 4.11Å; V130-T133 HydrophobicContact CG1-CG2 3.57Å; V130-P136 HydrophobicContact CB-CB 3.85Å; V130-P136 HydrophobicContact CG1-CB 4.22Å; V130-P136 HydrophobicContact CG2-CB 3.99Å; V130-Y138 HydrophobicContact CG2-CD1 3.79Å; V130-Y138 HydrophobicContact CG2-CE1 3.67Å
131K97Very high92.5Very high143 Ų14368 Ų6862%0.62234%0.337SS*.PPolyproline II helixtrans-84.2147.4-172.7-64.1-179.1-178.8174.20111.8D108 T133D108-K131 WeakPolarHBondContact OD1-CA 2.81Å; K131-T133 PolarHBondContact O-N 3.35Å
132K95.8Very high94.2Very high135 Ų13560 Ų6059%0.58730%0.303SS*.SBendtrans54.144.3166.1-56.1172.9-175.9170.90114.1S107 D108S107-K132 CarbonylContact O-C 3.51Å; S107-K132 VanDerWaalsContact O-CA 3.26Å; S107-K132 WeakPolarHBondContact O-CA 3.2Å; S107-K132 PolarHBondContact O-N 2.87Å; D108-K132 PolarHBondContact OD1-N 2.79Å
133T97.7Very high95.4Very high34 Ų3463.9 Ų63.921%0.20931%0.314CS..  trans-142.1151.1178.8-174.30000111.9S107 P109 V130 K131 N135 P136S107-T133 PolarHBondContact O-N 3.2Å; S107-T133 VanDerWaalsContact O-O 3.04Å; P109-T133 VanDerWaalsContact CD-O 3.27Å; P109-T133 WeakPolarHBondContact CD-O 3.49Å; P109-T133 HydrophobicContact CG-CG2 4.01Å; V130-T133 HydrophobicContact CB-CG2 4.11Å; V130-T133 HydrophobicContact CG1-CG2 3.57Å; K131-T133 PolarHBondContact O-N 3.35Å; T133-N135 PolarHBondContact OG1-N 2.84Å; T133-N135 PolarHBondContact OG1-O 3.06Å; T133-P136 HydrophobicContact CG2-CB 3.85Å
134L97.7Very high96.4Very high35 Ų3563.2 Ų63.218%0.18331%0.307CS..SBendtrans-102.6-5.1167.7-54.6-177.7000112D96 L97 A99 P136D96-L134 PolarHBondContact N-O 2.83Å; L97-L134 HydrophobicContact CB-CB 4.37Å; L97-L134 WeakPolarHBondContact CB-O 3.45Å; L97-L134 VanDerWaalsContact CG-O 3.3Å; L97-L134 WeakPolarHBondContact CG-O 3.43Å; L97-L134 PolarHBondContact N-O 3.09Å; L97-L134 WeakPolarHBondContact O-CD2 3.26Å; A99-L134 HydrophobicContact CB-CD1 4.27Å; A99-L134 HydrophobicContact CB-CD2 4.01Å; L134-P136 VanDerWaalsContact C-CD 3.44Å
135N98.2Very high96.6Very high77 Ų7769.3 Ų69.341%0.41233%0.334SS..SBendtrans-129.663-178.1-57.6-71.3000110C94 K95 D96 T133C94-N135 CarbonylContact O-C 3.49Å; C94-N135 VanDerWaalsContact O-CA 3.3Å; C94-N135 WeakPolarHBondContact O-CA 3.47Å; K95-N135 VanDerWaalsContact CA-OD1 3.26Å; K95-N135 WeakPolarHBondContact CA-OD1 3.12Å; K95-N135 WeakPolarHBondContact CG-OD1 3.31Å; D96-N135 PolarHBondContact N-OD1 3.24Å; T133-N135 PolarHBondContact OG1-N 2.84Å; T133-N135 PolarHBondContact OG1-O 3.06Å
136P98.1Very high96.4Very high1 Ų166.2 Ų66.21%0.00632%0.321CS..  trans-69.1141.3-17931.2-38000111.6Q93 C94 L97 P109 V130 T133 L134 Y138Q93-P136 CarbonylContact C-O 3.53Å; Q93-P136 WeakPolarHBondContact CA-O 3.39Å; Q93-P136 VanDerWaalsContact CB-O 3.28Å; Q93-P136 WeakPolarHBondContact CB-O 3.26Å; C94-P136 HydrophobicContact CB-CG 3.75Å; C94-P136 PolarHBondContact N-O 2.92Å; L97-P136 HydrophobicContact CD1-CG 3.85Å; P109-P136 HydrophobicContact CB-CG 4.04Å; P109-P136 HydrophobicContact CG-CB 3.7Å; P109-P136 HydrophobicContact CG-CG 3.5Å; V130-P136 HydrophobicContact CB-CB 3.85Å; V130-P136 HydrophobicContact CG1-CB 4.22Å; V130-P136 HydrophobicContact CG2-CB 3.99Å; T133-P136 HydrophobicContact CG2-CB 3.85Å; L134-P136 VanDerWaalsContact C-CD 3.44Å; P136-Y138 HydrophobicContact CB-CE1 4.08Å; P136-Y138 HydrophobicContact CB-CE2 3.82Å; P136-Y138 HydrophobicContact CG-CE2 3.63Å; P136-Y138 VanDerWaalsContact CG-OH 3.28Å; P136-Y138 WeakPolarHBondContact CG-OH 3.37Å
137V98.4Very high96.1Very high76 Ų7664.2 Ų64.246%0.46131%0.313SS..EExtended strand (participates in β ladder)trans-111123.2167.7-178.40000107.4Q93 N139Q93-V137 HydrophobicContact CB-CB 4.48Å; Q93-V137 HydrophobicContact CB-CG2 4.16Å; V137-N139 WeakPolarHBondContact CG1-ND2 3.38Å
138Y98Very high95.7Very high20 Ų2067.9 Ų67.98%0.07833%0.326CS..EExtended strand (participates in β ladder)trans-106-52.9-177.5-55.8-78.6000111.2V91 A92 P109 Y110 V111 T127 L128 V130 P136 E140V91-Y138 HydrophobicContact CG1-CD2 3.86Å; V91-Y138 HydrophobicContact CG1-CE2 4.46Å; V91-Y138 HydrophobicContact CG1-CG 4.45Å; A92-Y138 PolarHBondContact O-N 3.32Å; P109-Y138 WeakPolarHBondContact CB-OH 3.4Å; P109-Y138 PolarHBondContact O-OH 3.47Å; Y110-Y138 WeakPolarHBondContact CA-OH 3.3Å; Y110-Y138 PolarHBondContact N-OH 2.87Å; V111-Y138 HydrophobicContact CG2-CD2 4.35Å; V111-Y138 HydrophobicContact CG2-CE2 3.71Å; T127-Y138 HydrophobicContact CG2-CD1 4.16Å; T127-Y138 HydrophobicContact CG2-CG 4.14Å; T127-Y138 WeakPolarHBondContact OG1-CD1 3.33Å; T127-Y138 WeakPolarHBondContact OG1-CE1 3.42Å; L128-Y138 WeakPolarHBondContact O-CE1 2.97Å; V130-Y138 HydrophobicContact CG2-CD1 3.79Å; V130-Y138 HydrophobicContact CG2-CE1 3.67Å; P136-Y138 HydrophobicContact CB-CE1 4.08Å; P136-Y138 HydrophobicContact CB-CE2 3.82Å; P136-Y138 HydrophobicContact CG-CE2 3.63Å; P136-Y138 VanDerWaalsContact CG-OH 3.28Å; P136-Y138 WeakPolarHBondContact CG-OH 3.37Å; Y138-E140 VanDerWaalsContact C-N 3.28Å; Y138-E140 PolarHBondContact O-N 2.87Å
139N97Very high95.3Very high103 Ų10367.8 Ų67.855%0.55132%0.322SS*.EExtended strand (participates in β ladder)trans50.945.6-171.4-61.2-35.5000112.9F90 V91 A92 V137F90-N139 HydrophobicContact CE2-CB 4.37Å; V91-N139 WeakPolarHBondContact O-CA 3.23Å; V91-N139 PolarHBondContact O-N 2.99Å; V91-N139 VanDerWaalsContact O-N 3.15Å; A92-N139 PolarHBondContact O-N 2.95Å; A92-N139 VanDerWaalsContact O-N 3.08Å; V137-N139 WeakPolarHBondContact CG1-ND2 3.38Å
140E97.9Very high94.8Very high47 Ų4770.8 Ų70.822%0.2233%0.332CS..EExtended strand (participates in β ladder)trans-113142.8-176.8-70.1-177.3-123.200111.9V91 T127 L128 Y138V91-E140 PolarHBondContact N-O 2.83Å; V91-E140 PolarHBondContact O-N 3.38Å; V91-E140 VanDerWaalsContact O-N 3.08Å; T127-E140 VanDerWaalsContact CA-OE2 3.28Å; T127-E140 WeakPolarHBondContact CA-OE2 3.43Å; T127-E140 WeakPolarHBondContact CB-OE1 3.32Å; T127-E140 HydrophobicContact CG2-CB 4.22Å; L128-E140 WeakPolarHBondContact CB-OE1 3.21Å; L128-E140 PolarHBondContact N-OE1 3.49Å; L128-E140 PolarHBondContact N-OE2 3.35Å; Y138-E140 VanDerWaalsContact C-N 3.28Å; Y138-E140 PolarHBondContact O-N 2.87Å
141I96.6Very high94.4Very high82 Ų8268.7 Ų68.742%0.42132%0.32SS..EExtended strand (participates in β ladder)trans-103.6114.1173.9-58.2174000109.5H88 F90 R143H88-I141 HydrophobicContact CB-CG2 3.77Å; F90-I141 HydrophobicContact CB-CG1 4.32Å; F90-I141 HydrophobicContact CD2-CG1 3.7Å; F90-I141 HydrophobicContact CE2-CG1 4.5Å; F90-I141 HydrophobicContact CG-CG1 4.37Å; I141-R143 HydrophobicContact CG2-CG 3.92Å
142L96.3Very high93.9Very high11 Ų1167 Ų676%0.05831%0.312CS..EExtended strand (participates in β ladder)trans-91.7119.3173.9-53.3-177.1000109.5V89 V91 T113 K125 K126 T127V89-L142 HydrophobicContact CB-CB 4.3Å; V89-L142 PolarHBondContact N-O 2.86Å; V89-L142 PolarHBondContact O-N 2.93Å; V91-L142 HydrophobicContact CG2-CD1 4.1Å; V91-L142 HydrophobicContact CG2-CG 4.39Å; T113-L142 HydrophobicContact CG2-CD1 3.82Å; T113-L142 WeakPolarHBondContact OG1-CD1 3.25Å; K125-L142 HydrophobicContact CB-CB 3.84Å; K125-L142 HydrophobicContact CB-CD1 4.16Å; K125-L142 HydrophobicContact CB-CD2 4.3Å; K125-L142 HydrophobicContact CB-CG 4.32Å; K126-L142 VanDerWaalsContact O-CD2 3.3Å; K126-L142 WeakPolarHBondContact O-CD2 3.37Å; T127-L142 HydrophobicContact CG2-CD1 4.3Å; T127-L142 HydrophobicContact CG2-CD2 4.36Å
143R94.9Very high93.5Very high126 Ų12664.4 Ų64.448%0.47531%0.308SS..EExtended strand (participates in β ladder)trans-107132.1-171.4-57.4-178.4-177.8-176.42.4112.7L87 K125 I141L87-R143 WeakPolarHBondContact O-CA 3.28Å; K125-R143 WeakPolarHBondContact CE-O 3.39Å; I141-R143 HydrophobicContact CG2-CG 3.92Å
144Y93.1Very high93.1Very high1 Ų163 Ų630%0.00430%0.299CS..EExtended strand (participates in β ladder)trans-116.2124.3171.3-69.3-87.1000110E86 L87 V89 T113 Y114 L115 M122 G123 K125 I146E86-Y144 CarbonylContact C-O 3.47Å; E86-Y144 WeakPolarHBondContact CA-O 3.48Å; L87-Y144 HydrophobicContact CD2-CD2 4.26Å; L87-Y144 PolarHBondContact N-O 3.17Å; L87-Y144 PolarHBondContact O-N 3.08Å; V89-Y144 HydrophobicContact CG2-CD2 4.34Å; V89-Y144 HydrophobicContact CG2-CE2 4.28Å; T113-Y144 WeakPolarHBondContact CB-OH 3.49Å; T113-Y144 PolarHBondContact O-OH 3.13Å; T113-Y144 WeakPolarHBondContact OG1-CE2 3.33Å; T113-Y144 PolarHBondContact OG1-OH 2.97Å; Y114-Y144 PolarHBondContact N-OH 2.95Å; L115-Y144 HydrophobicContact CD1-CD1 3.76Å; L115-Y144 HydrophobicContact CD1-CD2 4.29Å; L115-Y144 HydrophobicContact CD1-CE1 4.42Å; L115-Y144 HydrophobicContact CD1-CG 3.69Å; L115-Y144 HydrophobicContact CG-CD1 3.96Å; L115-Y144 HydrophobicContact CG-CD2 4.33Å; L115-Y144 HydrophobicContact CG-CE1 4.13Å; L115-Y144 HydrophobicContact CG-CE2 4.49Å; L115-Y144 HydrophobicContact CG-CG 4.08Å; M122-Y144 HydrophobicContact CB-CD1 3.96Å; G123-Y144 VanDerWaalsContact O-CE1 3.31Å; G123-Y144 WeakPolarHBondContact O-CE1 3.36Å; K125-Y144 HydrophobicContact CB-CE2 4.32Å; K125-Y144 HydrophobicContact CG-CD1 4.27Å; K125-Y144 HydrophobicContact CG-CD2 4.36Å; K125-Y144 HydrophobicContact CG-CE1 3.7Å; K125-Y144 HydrophobicContact CG-CE2 3.78Å; K125-Y144 VanDerWaalsContact CG-CZ 3.4Å; K125-Y144 WeakPolarHBondContact CG-OH 3.48Å; K125-Y144 PolarHBondContact N-OH 2.59Å; Y144-I146 PolarHBondContact O-N 3.1Å
145K91.1Very high92.8Very high162 Ų16265.1 Ų65.170%0.70431%0.306SS*.EExtended strand (participates in β ladder)trans-80.1109.1169.1-68.3-174.1177.2-169.70108.7E86E86-K145 HydrophobicContact CG-CG 3.87Å; E86-K145 VanDerWaalsContact OE1-CE 3.31Å; E86-K145 WeakPolarHBondContact OE1-CE 3.33Å
146I90Very high92.5Very high8 Ų861.4 Ų61.44%0.04129%0.287CS..  trans-156135.5-176.5-176.3167.3000108.3Y80 K85 L87 L115 M122 Y144 F150 L151 Q154Y80-I146 HydrophobicContact CE2-CG2 4.49Å; Y80-I146 VanDerWaalsContact CE2-O 3.23Å; Y80-I146 WeakPolarHBondContact CE2-O 3.2Å; Y80-I146 PolarHBondContact OH-O 2.84Å; Y80-I146 VanDerWaalsContact OH-O 3.07Å; K85-I146 CarbonylContact C-O 3.54Å; K85-I146 PolarHBondContact O-N 3.44Å; L87-I146 HydrophobicContact CB-CG2 4.06Å; L115-I146 HydrophobicContact CD1-CD1 3.93Å; L115-I146 HydrophobicContact CD1-CG2 4.24Å; M122-I146 HydrophobicContact CE-CD1 4.04Å; M122-I146 HydrophobicContact CE-CG1 4.19Å; Y144-I146 PolarHBondContact O-N 3.1Å; I146-F150 HydrophobicContact CD1-CB 4.14Å; I146-F150 HydrophobicContact CG1-CB 3.96Å; I146-L151 HydrophobicContact CD1-CB 4.46Å; I146-L151 HydrophobicContact CD1-CD1 4.34Å; I146-L151 HydrophobicContact CG2-CD1 3.89Å; I146-Q154 HydrophobicContact CD1-CG 3.89Å
147E90.1Very high92.3Very high68 Ų6861.4 Ų61.432%0.31829%0.287SS..  trans-76.1147.8175.7-49.2-165.1136.800111.1K85 Q149 F150 L151K85-E147 HydrophobicContact CD-CG 4.35Å; K85-E147 IonicContact NZ-OE1 3.38Å; K85-E147 PolarHBondContact NZ-OE1 3.11Å; E147-Q149 HydrophobicContact CB-CG 4.09Å; E147-Q149 PolarHBondContact O-N 3.34Å; E147-Q149 VanDerWaalsContact O-N 3.09Å; E147-Q149 PolarHBondContact OE2-NE2 2.9Å; E147-F150 HydrophobicContact CB-CD2 3.9Å; E147-F150 HydrophobicContact CB-CE2 4.36Å; E147-F150 HydrophobicContact CG-CD2 4.3Å; E147-F150 HydrophobicContact CG-CE2 4.45Å; E147-F150 PolarHBondContact O-N 3Å; E147-L151 PolarHBondContact O-N 3.41Å
148R89Confident92.2Very high82 Ų8257.8 Ų57.831%0.30927%0.265SS..Hα-helixtrans-54-35.9-175.4-159.8176.5-149.3-135.21.7113.2Y80 E82 F150 L151 D185Y80-R148 HydrophobicContact CD1-CB 4.42Å; Y80-R148 HydrophobicContact CD1-CG 4.21Å; Y80-R148 HydrophobicContact CE1-CB 3.73Å; Y80-R148 HydrophobicContact CE1-CG 4.01Å; Y80-R148 PolarHBondContact OH-N 2.84Å; E82-R148 WeakPolarHBondContact OE2-CD 3.04Å; E82-R148 IonicContact OE2-NE 3.73Å; R148-F150 VanDerWaalsContact C-N 3.33Å; R148-F150 PolarHBondContact O-N 3.36Å; R148-L151 WeakPolarHBondContact O-CB 3.34Å; R148-L151 PolarHBondContact O-N 2.85Å; R148-D185 IonicContact NH2-OD1 3.57Å
149Q88.3Confident92Very high126 Ų12656.9 Ų56.959%0.58926%0.261SS*.Hα-helixtrans-62-38.2177.161.1-179.1-1.200113E147E147-Q149 HydrophobicContact CB-CG 4.09Å; E147-Q149 PolarHBondContact O-N 3.34Å; E147-Q149 VanDerWaalsContact O-N 3.09Å; E147-Q149 PolarHBondContact OE2-NE2 2.9Å
150F88.4Confident92Very high106 Ų10652 Ų5247%0.46524%0.235SC..Hα-helixtrans-82.7-27.3178.4-60.8-64000111.8I146 E147 R148 K152 T153 Q154I146-F150 HydrophobicContact CD1-CB 4.14Å; I146-F150 HydrophobicContact CG1-CB 3.96Å; E147-F150 HydrophobicContact CB-CD2 3.9Å; E147-F150 HydrophobicContact CB-CE2 4.36Å; E147-F150 HydrophobicContact CG-CD2 4.3Å; E147-F150 HydrophobicContact CG-CE2 4.45Å; E147-F150 PolarHBondContact O-N 3Å; R148-F150 VanDerWaalsContact C-N 3.33Å; R148-F150 PolarHBondContact O-N 3.36Å; F150-K152 VanDerWaalsContact C-N 3.26Å; F150-K152 PolarHBondContact O-N 2.77Å; F150-T153 WeakPolarHBondContact O-CB 3.44Å; F150-T153 PolarHBondContact O-N 3.05Å; F150-T153 PolarHBondContact O-OG1 2.8Å; F150-Q154 WeakPolarHBondContact O-CG 3.14Å
151L88.8Confident91.8Very high0 Ų050 Ų500%023%0.226CC..Hα-helixtrans-56-40.4179.7-172.567.4000112.6Y80 L87 I146 E147 R148 T153 Q154 L179 W184Y80-L151 HydrophobicContact CD2-CD2 3.53Å; Y80-L151 HydrophobicContact CE2-CD2 4.11Å; Y80-L151 HydrophobicContact CG-CD2 4.06Å; L87-L151 HydrophobicContact CB-CD1 4.05Å; L87-L151 HydrophobicContact CD1-CD1 4.32Å; L87-L151 HydrophobicContact CD2-CD1 3.93Å; L87-L151 HydrophobicContact CG-CD1 4.31Å; I146-L151 HydrophobicContact CD1-CB 4.46Å; I146-L151 HydrophobicContact CD1-CD1 4.34Å; I146-L151 HydrophobicContact CG2-CD1 3.89Å; E147-L151 PolarHBondContact O-N 3.41Å; R148-L151 WeakPolarHBondContact O-CB 3.34Å; R148-L151 PolarHBondContact O-N 2.85Å; L151-T153 PolarHBondContact O-N 3.41Å; L151-Q154 WeakPolarHBondContact O-CB 3.44Å; L151-Q154 PolarHBondContact O-N 3.01Å; L151-L179 HydrophobicContact CD1-CD1 3.63Å; L151-L179 HydrophobicContact CG-CD1 4.21Å; L151-L179 WeakPolarHBondContact O-CB 3.16Å; L151-W184 HydrophobicContact CD1-CH2 4.47Å; L151-W184 HydrophobicContact CD1-CZ2 4.46Å; L151-W184 HydrophobicContact CD2-CD2 4.38Å; L151-W184 HydrophobicContact CD2-CE3 4.44Å; L151-W184 HydrophobicContact CD2-CH2 3.52Å; L151-W184 HydrophobicContact CD2-CZ2 3.38Å; L151-W184 HydrophobicContact CD2-CZ3 4.04Å; L151-W184 HydrophobicContact CG-CH2 4.16Å; L151-W184 HydrophobicContact CG-CZ2 3.78Å
152K86.2Confident91.7Very high106 Ų10647 Ų4746%0.46121%0.21SC..THydrogen-bonded Turntrans-68.2-10.8178.2-66-171.2176.1-1700114F150 Q154 E180F150-K152 VanDerWaalsContact C-N 3.26Å; F150-K152 PolarHBondContact O-N 2.77Å; K152-Q154 VanDerWaalsContact C-N 3.33Å; K152-E180 WeakPolarHBondContact O-CA 3.35Å; K152-E180 WeakPolarHBondContact O-CB 3.44Å
153T87Confident91.5Very high81 Ų8152 Ų5250%0.49723%0.228SC..THydrogen-bonded Turntrans-95.38177.171.40000112.7F150 L151F150-T153 WeakPolarHBondContact O-CB 3.44Å; F150-T153 PolarHBondContact O-N 3.05Å; F150-T153 PolarHBondContact O-OG1 2.8Å; L151-T153 PolarHBondContact O-N 3.41Å
154Q89.1Confident91.2Very high5 Ų548 Ų482%0.02322%0.216CC..  trans-117.8156-169.9-59-69-50.900111.2L116 P117 I146 F150 L151 K152 L179L116-Q154 VanDerWaalsContact C-OE1 3.22Å; L116-Q154 CarbonylContact O-C 3.38Å; L116-Q154 VanDerWaalsContact O-CA 3.27Å; L116-Q154 WeakPolarHBondContact O-CA 3.31Å; L116-Q154 PolarHBondContact O-OE1 2.89Å; P117-Q154 PolarHBondContact O-NE2 2.87Å; P117-Q154 PolarHBondContact O-OE1 2.93Å; I146-Q154 HydrophobicContact CD1-CG 3.89Å; F150-Q154 WeakPolarHBondContact O-CG 3.14Å; L151-Q154 WeakPolarHBondContact O-CB 3.44Å; L151-Q154 PolarHBondContact O-N 3.01Å; K152-Q154 VanDerWaalsContact C-N 3.33Å; Q154-L179 HydrophobicContact CB-CD1 4.17Å; Q154-L179 WeakPolarHBondContact O-CB 3.36Å; Q154-L179 PolarHBondContact O-N 3.34Å
155K91.7Very high90.8Very high79 Ų7952.4 Ų52.434%0.34324%0.243SC..EExtended strand (participates in β ladder)trans-110.9137.3162.3-60.9-173.3175.4-1770108.6L115 L116 E176 L177L115-K155 WeakPolarHBondContact CA-O 3.47Å; L116-K155 PolarHBondContact N-O 2.8Å; L116-K155 PolarHBondContact O-N 2.83Å; K155-E176 HydrophobicContact CB-CG 4.34Å; K155-E176 HydrophobicContact CD-CG 4.47Å; K155-E176 WeakPolarHBondContact CD-OE1 3.28Å; K155-E176 IonicContact NZ-OE1 3.82Å; K155-L177 CarbonylContact C-O 3.57Å; K155-L177 VanDerWaalsContact CA-O 3.3Å; K155-L177 WeakPolarHBondContact CA-O 3.42Å
156L93.4Very high90.2Very high0 Ų054 Ų540%025%0.251CS..EExtended strand (participates in β ladder)trans-87.4116.7168.9177.670.3000108.6F76 L78 V89 T113 Y114 L115 E176 L177 L179F76-L156 HydrophobicContact CE2-CD2 4.24Å; L78-L156 HydrophobicContact CD1-CD2 3.91Å; L78-L156 HydrophobicContact CD2-CD2 3.53Å; L78-L156 HydrophobicContact CG-CD2 4.34Å; V89-L156 HydrophobicContact CG1-CD2 4.38Å; V89-L156 HydrophobicContact CG2-CD1 4.18Å; V89-L156 HydrophobicContact CG2-CD2 4.3Å; T113-L156 HydrophobicContact CG2-CD1 4.45Å; Y114-L156 WeakPolarHBondContact O-CA 3.2Å; L115-L156 HydrophobicContact CD2-CB 4.36Å; L115-L156 HydrophobicContact CD2-CD1 3.98Å; L156-E176 WeakPolarHBondContact O-CA 3.39Å; L156-L177 HydrophobicContact CB-CB 4.47Å; L156-L177 PolarHBondContact N-O 3.47Å; L156-L177 PolarHBondContact O-N 2.97Å; L156-L179 HydrophobicContact CB-CD1 4.26Å; L156-L179 HydrophobicContact CB-CD2 3.99Å; L156-L179 HydrophobicContact CB-CG 4.25Å
157N93.2Very high89.6Confident0 Ų061.3 Ų61.30%028%0.282CS..EExtended strand (participates in β ladder)trans-97.4119165178-88.4000108.8T113 Y114 L116 E174T113-N157 CarbonylContact C-O 3.51Å; T113-N157 VanDerWaalsContact CA-O 3.23Å; T113-N157 WeakPolarHBondContact CA-O 3.25Å; Y114-N157 PolarHBondContact N-O 2.84Å; Y114-N157 PolarHBondContact O-N 2.88Å; L116-N157 HydrophobicContact CD1-CB 3.74Å; L116-N157 HydrophobicContact CG-CB 4.34Å; N157-E174 PolarHBondContact ND2-OE2 3.32Å
158L95.6Very high89Confident1 Ų164 Ų641%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-114.3118.2172.9-176.5159000108.4V74 F76 V89 V91 V111 K112 T113 V160 E174 V175V74-L158 HydrophobicContact CB-CD2 4.49Å; V74-L158 HydrophobicContact CG1-CD2 3.92Å; V74-L158 HydrophobicContact CG2-CD2 4.09Å; F76-L158 HydrophobicContact CB-CD1 4.39Å; F76-L158 HydrophobicContact CD1-CD1 3.74Å; F76-L158 HydrophobicContact CD2-CD1 4.14Å; F76-L158 HydrophobicContact CE1-CD1 3.91Å; F76-L158 HydrophobicContact CE2-CD1 4.32Å; F76-L158 HydrophobicContact CG-CD1 3.84Å; F76-L158 HydrophobicContact CZ-CD1 4.2Å; V89-L158 HydrophobicContact CG1-CD1 4.39Å; V91-L158 HydrophobicContact CG2-CD1 4.39Å; V111-L158 HydrophobicContact CG1-CD1 4.07Å; V111-L158 HydrophobicContact CG1-CD2 3.55Å; V111-L158 HydrophobicContact CG1-CG 3.56Å; K112-L158 CarbonylContact O-C 3.48Å; K112-L158 WeakPolarHBondContact O-CA 3.31Å; T113-L158 HydrophobicContact CG2-CB 4.06Å; T113-L158 HydrophobicContact CG2-CD1 4.01Å; T113-L158 HydrophobicContact CG2-CG 3.84Å; L158-V160 HydrophobicContact CD2-CG2 4.45Å; L158-E174 CarbonylContact O-C 3.52Å; L158-E174 WeakPolarHBondContact O-CA 3.49Å; L158-E174 WeakPolarHBondContact O-CB 3.48Å; L158-V175 PolarHBondContact N-O 2.99Å; L158-V175 PolarHBondContact O-N 3.05Å
159S94.4Very high88.9Confident1 Ų161.3 Ų61.31%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-124.9141.9-177.848.60000111.9V111 K112 W161 G173V111-S159 CarbonylContact C-O 3.57Å; V111-S159 WeakPolarHBondContact CA-O 3.41Å; K112-S159 PolarHBondContact N-O 3.03Å; K112-S159 PolarHBondContact O-N 2.89Å; S159-W161 VanDerWaalsContact CB-NE1 3.29Å; S159-W161 PolarHBondContact OG-NE1 3.01Å; S159-G173 CarbonylContact C-O 3.47Å; S159-G173 WeakPolarHBondContact CA-O 3.32Å
160V96.4Very high88.8Confident0 Ų057.1 Ų57.10%027%0.265CS..EExtended strand (participates in β ladder)trans-104.3136.1178.6-167.90000108.9L97 P109 V111 L158 L172 G173 L197L97-V160 HydrophobicContact CD1-CG1 3.93Å; L97-V160 HydrophobicContact CD2-CG1 4.12Å; P109-V160 HydrophobicContact CB-CG1 4.37Å; V111-V160 HydrophobicContact CG2-CG2 4.23Å; L158-V160 HydrophobicContact CD2-CG2 4.45Å; V160-L172 HydrophobicContact CB-CB 4.17Å; V160-L172 HydrophobicContact CG1-CB 4.16Å; V160-L172 HydrophobicContact CG1-CD1 4.21Å; V160-L172 PolarHBondContact O-N 2.79Å; V160-G173 PolarHBondContact N-O 2.94Å; V160-L197 HydrophobicContact CB-CD1 4.39Å; V160-L197 HydrophobicContact CG2-CD1 4Å; V160-L197 HydrophobicContact CG2-CD2 3.66Å
161W94.8Very high88.9Confident6 Ų652.2 Ų52.22%0.02324%0.244CC..EExtended strand (participates in β ladder)trans-136.4143.5-172.3-63.776.7000111S59 F65 P109 Y110 K112 S159 N169 S170 F171S59-W161 VanDerWaalsContact O-CH2 3.31Å; S59-W161 WeakPolarHBondContact O-CH2 3.17Å; S59-W161 WeakPolarHBondContact O-CZ2 3.47Å; F65-W161 HydrophobicContact CD1-CH2 4.09Å; F65-W161 AromaticContact CE1-CH2 3.77Å; F65-W161 HydrophobicContact CE1-CH2 3.77Å; F65-W161 HydrophobicContact CE1-CZ2 4.21Å; P109-W161 CarbonylContact C-O 3.37Å; P109-W161 WeakPolarHBondContact CA-O 3.46Å; Y110-W161 HydrophobicContact CD1-CB 3.99Å; Y110-W161 WeakPolarHBondContact CD1-O 3.28Å; Y110-W161 HydrophobicContact CE1-CB 3.38Å; Y110-W161 HydrophobicContact CE1-CG 4.44Å; Y110-W161 HydrophobicContact CE2-CB 4.03Å; Y110-W161 HydrophobicContact CE2-CG 4.38Å; Y110-W161 AromaticContact CZ-CG 3.99Å; Y110-W161 PolarHBondContact N-O 2.95Å; Y110-W161 PolarHBondContact O-N 2.86Å; K112-W161 HydrophobicContact CD-CD2 4.37Å; K112-W161 HydrophobicContact CD-CG 4.14Å; S159-W161 VanDerWaalsContact CB-NE1 3.29Å; S159-W161 PolarHBondContact OG-NE1 3.01Å; W161-N169 HydrophobicContact CE3-CB 4.26Å; W161-S170 CarbonylContact C-O 3.45Å; W161-S170 VanDerWaalsContact CA-O 3.32Å; W161-S170 WeakPolarHBondContact CA-O 3.23Å; W161-F171 HydrophobicContact CD2-CD2 4.35Å; W161-F171 AromaticContact CE2-CD2 3.96Å; W161-F171 HydrophobicContact CE3-CB 4.18Å; W161-F171 HydrophobicContact CH2-CB 4.45Å; W161-F171 HydrophobicContact CH2-CD2 4.21Å; W161-F171 AromaticContact CZ2-CD2 3.91Å; W161-F171 HydrophobicContact CZ2-CD2 3.91Å; W161-F171 HydrophobicContact CZ3-CB 4.09Å
162H93.4Very high89.1Confident17 Ų1752.2 Ų52.28%0.07924%0.244CC..EExtended strand (participates in β ladder)trans-84.1126.4164.7173.176.9000109.6A100 S107 D108 D164 N169 S170 L172A100-H162 HydrophobicContact CB-CB 3.77Å; S107-H162 WeakPolarHBondContact CA-ND1 3.09Å; D108-H162 PolarHBondContact N-CE1 2.86Å; D108-H162 PolarHBondContact N-ND1 3.45Å; H162-D164 PolarHBondContact O-N 2.92Å; H162-N169 CarbonylContact O-C 3.44Å; H162-N169 WeakPolarHBondContact O-CA 3.24Å; H162-N169 WeakPolarHBondContact O-CB 3.43Å; H162-S170 PolarHBondContact N-O 3.27Å; H162-S170 PolarHBondContact O-N 3.5Å; H162-S170 VanDerWaalsContact O-N 3.11Å; H162-L172 HydrophobicContact CB-CD1 4.15Å; H162-L172 HydrophobicContact CB-CD2 4.12Å; H162-L172 HydrophobicContact CB-CG 4.22Å
163R93.5Very high89.4Confident118 Ų11847.2 Ų47.245%0.44522%0.222SC..  trans-80.1115.9168.9179.5175.7173.7-1551.2109.8D108 Y110 V129 N169D108-R163 HydrophobicContact CB-CB 4.4Å; D108-R163 PolarHBondContact O-N 2.85Å; Y110-R163 HydrophobicContact CD1-CB 4.11Å; Y110-R163 HydrophobicContact CE1-CB 4Å; V129-R163 HydrophobicContact CG1-CB 3.91Å; V129-R163 HydrophobicContact CG2-CB 4.17Å; R163-N169 WeakPolarHBondContact CA-OD1 3.21Å
164D87Confident89.8Confident40 Ų4044.3 Ų44.321%0.21420%0.203CC..  trans-98139.4168.4-159.8-51.5000108.9H162 F166 K167 N169H162-D164 PolarHBondContact O-N 2.92Å; D164-F166 PolarHBondContact OD1-N 2.99Å; D164-K167 HydrophobicContact CB-CB 4.06Å; D164-K167 PolarHBondContact OD1-N 3Å; D164-N169 PolarHBondContact N-OD1 3.2Å; D164-N169 VanDerWaalsContact N-OD1 3.07Å
165T84.9Confident90.1Very high95 Ų9544.8 Ų44.858%0.58321%0.206SC*.SBendtrans-82.2-32.6-178.4-58.40000111.5
166F79.6Confident90.1Very high196 Ų19645.6 Ų45.686%0.8621%0.211SC*.SBendtrans-116.9-9.2-172.8-57.5-71000113D164D164-F166 PolarHBondContact OD1-N 2.99Å
167K77.1Confident90.1Very high161 Ų16146.6 Ų46.670%0.722%0.216SC*.SBendtrans-123.4179.8177.8-52179.6-179.2174.60111.4D164D164-K167 HydrophobicContact CB-CB 4.06Å; D164-K167 PolarHBondContact OD1-N 3Å
168R77.4Confident90Very high125 Ų12549.2 Ų49.247%0.47223%0.23SC..PPolyproline II helixtrans-64.3138.2167.3-171.6-175-175.6147.214.4109.5S62 D64 S170S62-R168 PolarHBondContact OG-NH2 3.02Å; D64-R168 IonicContact OD2-CZ 2.94Å; D64-R168 IonicContact OD2-NE 3.34Å; D64-R168 IonicContact OD2-NH1 2.74Å; D64-R168 PolarHBondContact OD2-NH1 3.44Å; R168-S170 PolarHBondContact O-N 2.73Å
169N86.3Confident89.9Confident25 Ų2549.1 Ų49.113%0.13423%0.23CC..PPolyproline II helixtrans-55.3131.9171.8-65-23.2000110.8Y110 W161 H162 R163 D164Y110-N169 PolarHBondContact OH-ND2 2.86Å; W161-N169 HydrophobicContact CE3-CB 4.26Å; H162-N169 CarbonylContact O-C 3.44Å; H162-N169 WeakPolarHBondContact O-CA 3.24Å; H162-N169 WeakPolarHBondContact O-CB 3.43Å; R163-N169 WeakPolarHBondContact CA-OD1 3.21Å; D164-N169 PolarHBondContact N-OD1 3.2Å; D164-N169 VanDerWaalsContact N-OD1 3.07Å
170S87.2Confident89.7Confident37 Ų3755.5 Ų55.526%0.25926%0.259SS..EExtended strand (participates in β ladder)trans-88.1147.2178.8-40.90000110.4W161 H162 R168W161-S170 CarbonylContact C-O 3.45Å; W161-S170 VanDerWaalsContact CA-O 3.32Å; W161-S170 WeakPolarHBondContact CA-O 3.23Å; H162-S170 PolarHBondContact N-O 3.27Å; H162-S170 PolarHBondContact O-N 3.5Å; H162-S170 VanDerWaalsContact O-N 3.11Å; R168-S170 PolarHBondContact O-N 2.73Å
171F90Very high89.3Confident4 Ų460.9 Ų60.92%0.01829%0.293CS..EExtended strand (participates in β ladder)trans-90.1137.8177.7173.5-95.9000110.6F65 V70 W161 G173 E174 K200F65-F171 HydrophobicContact CB-CB 3.76Å; F65-F171 HydrophobicContact CB-CD1 3.69Å; F65-F171 HydrophobicContact CB-CE1 4.45Å; F65-F171 HydrophobicContact CB-CG 3.91Å; F65-F171 HydrophobicContact CD1-CB 3.45Å; F65-F171 VanDerWaalsContact CD1-CB 3.45Å; F65-F171 AromaticContact CD1-CD1 3.81Å; F65-F171 HydrophobicContact CD1-CD1 3.81Å; F65-F171 AromaticContact CD1-CD2 3.51Å; F65-F171 HydrophobicContact CD1-CD2 3.51Å; F65-F171 HydrophobicContact CD1-CE1 4.34Å; F65-F171 HydrophobicContact CD1-CE2 4.08Å; F65-F171 AromaticContact CD1-CG 3.33Å; F65-F171 HydrophobicContact CD1-CG 3.33Å; F65-F171 HydrophobicContact CD1-CZ 4.45Å; F65-F171 HydrophobicContact CE1-CB 4.5Å; F65-F171 AromaticContact CE1-CD2 3.92Å; F65-F171 HydrophobicContact CE1-CD2 3.92Å; F65-F171 HydrophobicContact CE1-CE2 4.23Å; F65-F171 HydrophobicContact CE1-CG 4.2Å; F65-F171 HydrophobicContact CG-CB 4.05Å; F65-F171 AromaticContact CG-CD1 3.93Å; F65-F171 HydrophobicContact CG-CD1 3.93Å; F65-F171 HydrophobicContact CG-CD2 4.42Å; F65-F171 HydrophobicContact CG-CE1 4.4Å; F65-F171 AromaticContact CG-CG 3.91Å; F65-F171 HydrophobicContact CG-CG 3.91Å; V70-F171 HydrophobicContact CG2-CD1 4.25Å; V70-F171 HydrophobicContact CG2-CE1 4.13Å; W161-F171 HydrophobicContact CD2-CD2 4.35Å; W161-F171 AromaticContact CE2-CD2 3.96Å; W161-F171 HydrophobicContact CE3-CB 4.18Å; W161-F171 HydrophobicContact CH2-CB 4.45Å; W161-F171 HydrophobicContact CH2-CD2 4.21Å; W161-F171 AromaticContact CZ2-CD2 3.91Å; W161-F171 HydrophobicContact CZ2-CD2 3.91Å; W161-F171 HydrophobicContact CZ3-CB 4.09Å; F171-G173 WeakPolarHBondContact CE2-O 3.46Å; F171-G173 VanDerWaalsContact CZ-CA 3.43Å; F171-E174 HydrophobicContact CE2-CB 3.93Å; F171-E174 HydrophobicContact CE2-CG 4.41Å; F171-E174 HydrophobicContact CZ-CB 3.72Å; F171-E174 HydrophobicContact CZ-CG 3.84Å; F171-K200 HydrophobicContact CE1-CB 4.27Å; F171-K200 HydrophobicContact CZ-CB 4.1Å
172L92.7Very high89.1Confident0 Ų062.1 Ų62.10%030%0.297CS..EExtended strand (participates in β ladder)trans-112.4-6.7-176.6-56.8-177.3000112.5L68 V70 L97 A98 P109 V160 H162L68-L172 HydrophobicContact CD2-CD2 3.39Å; V70-L172 WeakPolarHBondContact CG1-O 3.43Å; L97-L172 HydrophobicContact CD1-CD1 4.28Å; A98-L172 HydrophobicContact CB-CD2 4.32Å; P109-L172 HydrophobicContact CB-CD1 4.15Å; V160-L172 HydrophobicContact CB-CB 4.17Å; V160-L172 HydrophobicContact CG1-CB 4.16Å; V160-L172 HydrophobicContact CG1-CD1 4.21Å; V160-L172 PolarHBondContact O-N 2.79Å; H162-L172 HydrophobicContact CB-CD1 4.15Å; H162-L172 HydrophobicContact CB-CD2 4.12Å; H162-L172 HydrophobicContact CB-CG 4.22Å
173G93.3Very high88.8Confident0 Ų065.3 Ų65.30%032%0.315CS..EExtended strand (participates in β ladder)trans135.4166.8177.600000113.1S159 V160 F171 K198S159-G173 CarbonylContact C-O 3.47Å; S159-G173 WeakPolarHBondContact CA-O 3.32Å; V160-G173 PolarHBondContact N-O 2.94Å; F171-G173 WeakPolarHBondContact CE2-O 3.46Å; F171-G173 VanDerWaalsContact CZ-CA 3.43Å; G173-K198 WeakPolarHBondContact CA-O 2.9Å
174E94.6Very high88.5Confident21 Ų2160.6 Ų60.610%0.09830%0.297CS..EExtended strand (participates in β ladder)trans-140.6166.1176.971.8-173.1176.400113.8N157 L158 F171 K198 K200N157-E174 PolarHBondContact ND2-OE2 3.32Å; L158-E174 CarbonylContact O-C 3.52Å; L158-E174 WeakPolarHBondContact O-CA 3.49Å; L158-E174 WeakPolarHBondContact O-CB 3.48Å; F171-E174 HydrophobicContact CE2-CB 3.93Å; F171-E174 HydrophobicContact CE2-CG 4.41Å; F171-E174 HydrophobicContact CZ-CB 3.72Å; F171-E174 HydrophobicContact CZ-CG 3.84Å; E174-K198 PolarHBondContact N-O 3.44Å; E174-K198 PolarHBondContact O-N 2.99Å; E174-K200 WeakPolarHBondContact OE1-CB 2.94Å; E174-K200 VanDerWaalsContact OE1-CG 3.25Å; E174-K200 WeakPolarHBondContact OE1-CG 3.43Å; E174-K200 IonicContact OE1-NZ 3.79Å; E174-K200 PolarHBondContact OE1-NZ 3.09Å; E174-K200 VanDerWaalsContact OE1-NZ 3.16Å; E174-K200 IonicContact OE2-NZ 3.9Å; E174-K200 PolarHBondContact OE2-NZ 3.31Å
175V94.8Very high88.3Confident14 Ų1464.8 Ų64.89%0.08532%0.319CS..EExtended strand (participates in β ladder)trans-130.7131.8169.5-178.60000106.8V74 F76 L158 L177 Y195 L197V74-V175 HydrophobicContact CG1-CG2 3.74Å; F76-V175 HydrophobicContact CE1-CB 4.46Å; F76-V175 HydrophobicContact CE1-CG1 4.24Å; F76-V175 HydrophobicContact CZ-CG1 4.21Å; L158-V175 PolarHBondContact N-O 2.99Å; L158-V175 PolarHBondContact O-N 3.05Å; V175-L177 HydrophobicContact CG1-CD2 4.22Å; V175-L177 HydrophobicContact CG1-CG 4.26Å; V175-Y195 HydrophobicContact CG1-CD1 3.91Å; V175-Y195 HydrophobicContact CG1-CG 4.05Å; V175-L197 HydrophobicContact CG2-CD2 4.15Å
176E93.2Very high88.4Confident96 Ų9661.4 Ų61.445%0.44930%0.3SS..EExtended strand (participates in β ladder)trans-115.2130.6171.5-171.3169.3107.700109K155 L156K155-E176 HydrophobicContact CB-CG 4.34Å; K155-E176 HydrophobicContact CD-CG 4.47Å; K155-E176 WeakPolarHBondContact CD-OE1 3.28Å; K155-E176 IonicContact NZ-OE1 3.82Å; L156-E176 WeakPolarHBondContact O-CA 3.39Å
177L92.6Very high88.5Confident22 Ų2260.4 Ų60.412%0.11530%0.295CS..EExtended strand (participates in β ladder)trans-121.7130.4175.3-62.5-179.3000109.4F76 L78 K155 L156 V175 W182 Y195F76-L177 HydrophobicContact CE2-CD1 3.65Å; F76-L177 HydrophobicContact CZ-CD1 3.57Å; F76-L177 HydrophobicContact CZ-CG 4.32Å; L78-L177 HydrophobicContact CD1-CD1 3.86Å; K155-L177 CarbonylContact C-O 3.57Å; K155-L177 VanDerWaalsContact CA-O 3.3Å; K155-L177 WeakPolarHBondContact CA-O 3.42Å; L156-L177 HydrophobicContact CB-CB 4.47Å; L156-L177 PolarHBondContact N-O 3.47Å; L156-L177 PolarHBondContact O-N 2.97Å; V175-L177 HydrophobicContact CG1-CD2 4.22Å; V175-L177 HydrophobicContact CG1-CG 4.26Å; L177-W182 HydrophobicContact CD1-CE3 4.23Å; L177-W182 HydrophobicContact CD1-CH2 4.23Å; L177-W182 HydrophobicContact CD1-CZ3 3.8Å; L177-W182 HydrophobicContact CD2-CZ3 4.26Å; L177-Y195 HydrophobicContact CD1-CE1 4.39Å; L177-Y195 HydrophobicContact CD2-CD1 4.37Å; L177-Y195 HydrophobicContact CD2-CE1 3.88Å
178D92.3Very high88.8Confident54 Ų5458.9 Ų58.929%0.28929%0.29SS..EExtended strand (participates in β ladder)trans-80.6117.5171-162.9-37.1000109.6E180 T181 W182D178-E180 VanDerWaalsContact C-N 3.3Å; D178-E180 WeakPolarHBondContact OD1-CB 3.48Å; D178-E180 PolarHBondContact OD1-N 3.33Å; D178-T181 PolarHBondContact O-OG1 2.65Å; D178-W182 PolarHBondContact O-N 2.98Å
179L92.2Very high89Confident0 Ų054 Ų540%027%0.274CS..SBendtrans-82.7-10.4-176-57-174.6000112.7L78 L87 L115 L151 Q154 L156 W184L78-L179 HydrophobicContact CD1-CD2 4.05Å; L87-L179 HydrophobicContact CD2-CD1 4.29Å; L115-L179 HydrophobicContact CD2-CD1 3.71Å; L151-L179 HydrophobicContact CD1-CD1 3.63Å; L151-L179 HydrophobicContact CG-CD1 4.21Å; L151-L179 WeakPolarHBondContact O-CB 3.16Å; Q154-L179 HydrophobicContact CB-CD1 4.17Å; Q154-L179 WeakPolarHBondContact O-CB 3.36Å; Q154-L179 PolarHBondContact O-N 3.34Å; L156-L179 HydrophobicContact CB-CD1 4.26Å; L156-L179 HydrophobicContact CB-CD2 3.99Å; L156-L179 HydrophobicContact CB-CG 4.25Å; L179-W184 HydrophobicContact CB-CZ2 4.09Å; L179-W184 HydrophobicContact CD2-CH2 4.25Å; L179-W184 HydrophobicContact CD2-CZ2 4.04Å; L179-W184 HydrophobicContact CG-CZ2 4.45Å; L179-W184 PolarHBondContact O-NE1 3.25Å
180E89.9Confident88.9Confident134 Ų13457.7 Ų57.763%0.62629%0.289SS*.SBendtrans-66.5-48.8170.9-169.8176.9178.800110.7K152 D178 W182K152-E180 WeakPolarHBondContact O-CA 3.35Å; K152-E180 WeakPolarHBondContact O-CB 3.44Å; D178-E180 VanDerWaalsContact C-N 3.3Å; D178-E180 WeakPolarHBondContact OD1-CB 3.48Å; D178-E180 PolarHBondContact OD1-N 3.33Å; E180-W182 VanDerWaalsContact C-N 3.33Å
181T89.5Confident89Confident114 Ų11461.9 Ų61.970%0.69930%0.304SS*.SBendtrans-88.7-2.4-176.162.70000113.2D178 D183D178-T181 PolarHBondContact O-OG1 2.65Å; T181-D183 PolarHBondContact O-N 3.33Å
182W89.7Confident89.2Confident31 Ų3165 Ų6512%0.11732%0.32CS..  trans-70.4120.5178.2-170.7-97.1000111L78 L177 D178 E180 W184 N189 Y195L78-W182 HydrophobicContact CB-CZ2 4.34Å; L78-W182 HydrophobicContact CD1-CD2 4.35Å; L78-W182 HydrophobicContact CD1-CZ2 4.14Å; L78-W182 HydrophobicContact CG-CZ2 4.42Å; L177-W182 HydrophobicContact CD1-CE3 4.23Å; L177-W182 HydrophobicContact CD1-CH2 4.23Å; L177-W182 HydrophobicContact CD1-CZ3 3.8Å; L177-W182 HydrophobicContact CD2-CZ3 4.26Å; D178-W182 PolarHBondContact O-N 2.98Å; E180-W182 VanDerWaalsContact C-N 3.33Å; W182-W184 HydrophobicContact CB-CZ2 4.31Å; W182-W184 AromaticContact CD1-CD2 3.61Å; W182-W184 AromaticContact CD1-CE2 3.59Å; W182-W184 AromaticContact CD1-CE3 3.84Å; W182-W184 AromaticContact CD1-CH2 3.97Å; W182-W184 AromaticContact CD1-CZ2 3.78Å; W182-W184 HydrophobicContact CG-CZ2 4.28Å; W182-W184 PolarHBondContact O-N 2.82Å; W182-W184 PolarHBondContact O-NE1 3.34Å; W182-N189 HydrophobicContact CH2-CB 4.29Å; W182-N189 HydrophobicContact CZ2-CB 3.52Å; W182-Y195 WeakPolarHBondContact CH2-OH 3.46Å
183D87.8Confident89.3Confident85 Ų8568 Ų6846%0.45533%0.334SS..  trans-75.299174.2-179.9-3.4000110T181 D185 S186 N189T181-D183 PolarHBondContact O-N 3.33Å; D183-D185 VanDerWaalsContact C-N 3.29Å; D183-D185 PolarHBondContact O-N 2.92Å; D183-D185 PolarHBondContact OD1-N 3.13Å; D183-S186 VanDerWaalsContact CG-CB 3.48Å; D183-S186 PolarHBondContact OD1-N 3.17Å; D183-S186 VanDerWaalsContact OD2-CB 3.25Å; D183-S186 WeakPolarHBondContact OD2-CB 3.48Å; D183-N189 WeakPolarHBondContact O-CB 3.32Å; D183-N189 PolarHBondContact O-ND2 2.77Å
184W86.3Confident89.4Confident19 Ų1973.2 Ų73.27%0.07235%0.354CS..SBendtrans-72.7-19.4-179.2-66.294.3000114L78 L87 L151 L179 W182L78-W184 HydrophobicContact CB-CZ3 4.42Å; L87-W184 HydrophobicContact CD1-CH2 3.51Å; L87-W184 HydrophobicContact CD1-CZ3 3.72Å; L151-W184 HydrophobicContact CD1-CH2 4.47Å; L151-W184 HydrophobicContact CD1-CZ2 4.46Å; L151-W184 HydrophobicContact CD2-CD2 4.38Å; L151-W184 HydrophobicContact CD2-CE3 4.44Å; L151-W184 HydrophobicContact CD2-CH2 3.52Å; L151-W184 HydrophobicContact CD2-CZ2 3.38Å; L151-W184 HydrophobicContact CD2-CZ3 4.04Å; L151-W184 HydrophobicContact CG-CH2 4.16Å; L151-W184 HydrophobicContact CG-CZ2 3.78Å; L179-W184 HydrophobicContact CB-CZ2 4.09Å; L179-W184 HydrophobicContact CD2-CH2 4.25Å; L179-W184 HydrophobicContact CD2-CZ2 4.04Å; L179-W184 HydrophobicContact CG-CZ2 4.45Å; L179-W184 PolarHBondContact O-NE1 3.25Å; W182-W184 HydrophobicContact CB-CZ2 4.31Å; W182-W184 AromaticContact CD1-CD2 3.61Å; W182-W184 AromaticContact CD1-CE2 3.59Å; W182-W184 AromaticContact CD1-CE3 3.84Å; W182-W184 AromaticContact CD1-CH2 3.97Å; W182-W184 AromaticContact CD1-CZ2 3.78Å; W182-W184 HydrophobicContact CG-CZ2 4.28Å; W182-W184 PolarHBondContact O-N 2.82Å; W182-W184 PolarHBondContact O-NE1 3.34Å
185D83.9Confident89.5Confident127 Ų12774 Ų7468%0.67936%0.356SS*.SBendtrans-97.9-16.1-174.5-58.9-33.1000111.4R148 D183 K187R148-D185 IonicContact NH2-OD1 3.57Å; D183-D185 VanDerWaalsContact C-N 3.29Å; D183-D185 PolarHBondContact O-N 2.92Å; D183-D185 PolarHBondContact OD1-N 3.13Å; D185-K187 PolarHBondContact O-N 2.64Å
186S85.3Confident89.7Confident25 Ų2577.3 Ų77.318%0.17538%0.378CS..  trans-61.9116.8170.6175.10000112.5D183 Q188 N189D183-S186 VanDerWaalsContact CG-CB 3.48Å; D183-S186 PolarHBondContact OD1-N 3.17Å; D183-S186 VanDerWaalsContact OD2-CB 3.25Å; D183-S186 WeakPolarHBondContact OD2-CB 3.48Å; S186-Q188 PolarHBondContact O-N 3.34Å; S186-Q188 VanDerWaalsContact O-N 3.12Å; S186-Q188 PolarHBondContact OG-N 3.35Å; S186-N189 PolarHBondContact O-N 3.03Å
187K83.1Confident89.8Confident175 Ų17573.5 Ų73.576%0.76136%0.36SS*.THydrogen-bonded Turntrans-54.8-30.3171.2-69-175.7179.4178.90112.7D185D185-K187 PolarHBondContact O-N 2.64Å
188Q82.5Confident89.8Confident128 Ų12879.3 Ų79.360%0.59839%0.385SS*.THydrogen-bonded Turntrans-69.5-36.4178.9-62.2-178.63.500111.5S186 K190 Q191 K193S186-Q188 PolarHBondContact O-N 3.34Å; S186-Q188 VanDerWaalsContact O-N 3.12Å; S186-Q188 PolarHBondContact OG-N 3.35Å; Q188-K190 PolarHBondContact O-N 3.03Å; Q188-Q191 WeakPolarHBondContact O-CB 3.49Å; Q188-Q191 PolarHBondContact O-N 2.98Å; Q188-Q191 VanDerWaalsContact O-N 3.1Å; Q188-K193 WeakPolarHBondContact O-CE 3.32Å
189N81.7Confident89.5Confident22 Ų2283.9 Ų83.912%0.11840%0.398CS..THydrogen-bonded Turntrans-71.7-19.4-179.1-77.4-8.5000113.5W182 D183 S186 Q191 K193W182-N189 HydrophobicContact CH2-CB 4.29Å; W182-N189 HydrophobicContact CZ2-CB 3.52Å; D183-N189 WeakPolarHBondContact O-CB 3.32Å; D183-N189 PolarHBondContact O-ND2 2.77Å; S186-N189 PolarHBondContact O-N 3.03Å; N189-Q191 VanDerWaalsContact C-N 3.32Å; N189-K193 PolarHBondContact OD1-NZ 3.44Å
190K83.6Confident88.5Confident103 Ų10385.5 Ų85.545%0.44841%0.405SS..THydrogen-bonded Turntrans-80.3-12.4170.8-58.5-168.6-179.4-1330113.5D79 Q188D79-K190 WeakPolarHBondContact OD1-CE 3.27Å; D79-K190 IonicContact OD1-NZ 2.77Å; D79-K190 PolarHBondContact OD1-NZ 2.84Å; Q188-K190 PolarHBondContact O-N 3.03Å
191Q89.5Confident86.6Confident125 Ų12584.3 Ų84.358%0.58441%0.407SS*.SBendtrans-86.7156.4178-65.6178.13.700111.3Q188 N189 K193Q188-Q191 WeakPolarHBondContact O-CB 3.49Å; Q188-Q191 PolarHBondContact O-N 2.98Å; Q188-Q191 VanDerWaalsContact O-N 3.1Å; N189-Q191 VanDerWaalsContact C-N 3.32Å; Q191-K193 PolarHBondContact O-N 3.27Å
192L94Very high84.5Confident69 Ų6981.4 Ų81.436%0.36139%0.394SS..  trans-62.6117.8174.8-77175.4000111Q75 A77 F90 A92Q75-L192 HydrophobicContact CG-CB 4Å; Q75-L192 HydrophobicContact CG-CD2 4.32Å; A77-L192 HydrophobicContact CB-CD2 4.05Å; F90-L192 HydrophobicContact CD1-CD2 3.61Å; F90-L192 HydrophobicContact CD1-CG 4.26Å; F90-L192 HydrophobicContact CE1-CD1 4.01Å; F90-L192 HydrophobicContact CE1-CD2 3.78Å; F90-L192 HydrophobicContact CE1-CG 4.15Å; A92-L192 HydrophobicContact CB-CD1 3.92Å; A92-L192 HydrophobicContact CB-CD2 3.62Å; A92-L192 HydrophobicContact CB-CG 4.43Å
193K94.7Very high82.2Confident64 Ų6483.7 Ų83.728%0.27841%0.413SS..EExtended strand (participates in β ladder)trans-116.7145.4176.7-71.7-177.9177.4-179.90110.9Q75 F76 Q188 N189 Q191 Y195Q75-K193 VanDerWaalsContact CA-O 3.29Å; Q75-K193 WeakPolarHBondContact CA-O 3.44Å; F76-K193 PolarHBondContact N-O 2.97Å; F76-K193 VanDerWaalsContact N-O 3.09Å; F76-K193 PolarHBondContact O-N 3.23Å; Q188-K193 WeakPolarHBondContact O-CE 3.32Å; N189-K193 PolarHBondContact OD1-NZ 3.44Å; Q191-K193 PolarHBondContact O-N 3.27Å; K193-Y195 HydrophobicContact CB-CD2 4.41Å; K193-Y195 HydrophobicContact CB-CE2 3.61Å; K193-Y195 WeakPolarHBondContact O-CD2 3.37Å; K193-Y195 WeakPolarHBondContact O-CE2 3.4Å
194W97Very high79.6Confident110 Ų11085.6 Ų85.642%0.41743%0.428SS..EExtended strand (participates in β ladder)trans-86.5132.7172.3-73.9101.8000110.4Q75 Q93 K95Q75-W194 HydrophobicContact CB-CD2 3.73Å; Q75-W194 HydrophobicContact CB-CE3 3.67Å; Q75-W194 HydrophobicContact CB-CG 4.43Å; Q75-W194 HydrophobicContact CB-CH2 3.9Å; Q75-W194 HydrophobicContact CB-CZ2 3.95Å; Q75-W194 HydrophobicContact CB-CZ3 3.76Å; Q75-W194 HydrophobicContact CG-CD2 3.97Å; Q75-W194 HydrophobicContact CG-CE3 4.42Å; Q75-W194 HydrophobicContact CG-CG 4.26Å; Q75-W194 HydrophobicContact CG-CZ2 4.3Å; Q93-W194 HydrophobicContact CG-CH2 3.7Å; Q93-W194 HydrophobicContact CG-CZ2 4.1Å; Q93-W194 VanDerWaalsContact NE2-CZ2 3.35Å; K95-W194 HydrophobicContact CB-CH2 3.71Å; K95-W194 HydrophobicContact CB-CZ3 3.7Å
195Y96.9Very high77.1Confident37 Ų3788.4 Ų88.415%0.14546%0.455CS..EExtended strand (participates in β ladder)trans-121.9125.4175.9-65.1-92.4000109.6S73 V74 F76 V175 L177 W182 K193S73-Y195 CarbonylContact C-O 3.54Å; S73-Y195 WeakPolarHBondContact CA-O 3.21Å; S73-Y195 WeakPolarHBondContact CB-O 3.29Å; V74-Y195 PolarHBondContact N-O 2.98Å; V74-Y195 PolarHBondContact O-N 2.84Å; F76-Y195 AromaticContact CD1-CD2 3.55Å; F76-Y195 HydrophobicContact CD1-CD2 3.55Å; F76-Y195 AromaticContact CD1-CE2 3.94Å; F76-Y195 HydrophobicContact CD1-CE2 3.94Å; F76-Y195 HydrophobicContact CD1-CG 4.42Å; F76-Y195 HydrophobicContact CE1-CD1 4.44Å; F76-Y195 AromaticContact CE1-CD2 3.11Å; F76-Y195 HydrophobicContact CE1-CD2 3.11Å; F76-Y195 AromaticContact CE1-CE2 3.54Å; F76-Y195 HydrophobicContact CE1-CE2 3.54Å; F76-Y195 AromaticContact CE1-CG 3.63Å; F76-Y195 HydrophobicContact CE1-CG 3.63Å; F76-Y195 HydrophobicContact CE2-CE2 4.14Å; F76-Y195 HydrophobicContact CG-CD2 4.43Å; F76-Y195 HydrophobicContact CG-CE2 4.41Å; F76-Y195 AromaticContact CZ-CD2 3.68Å; F76-Y195 HydrophobicContact CZ-CD2 3.68Å; F76-Y195 AromaticContact CZ-CE2 3.66Å; F76-Y195 HydrophobicContact CZ-CE2 3.66Å; F76-Y195 HydrophobicContact CZ-CG 4.14Å; V175-Y195 HydrophobicContact CG1-CD1 3.91Å; V175-Y195 HydrophobicContact CG1-CG 4.05Å; L177-Y195 HydrophobicContact CD1-CE1 4.39Å; L177-Y195 HydrophobicContact CD2-CD1 4.37Å; L177-Y195 HydrophobicContact CD2-CE1 3.88Å; W182-Y195 WeakPolarHBondContact CH2-OH 3.46Å; K193-Y195 HydrophobicContact CB-CD2 4.41Å; K193-Y195 HydrophobicContact CB-CE2 3.61Å; K193-Y195 WeakPolarHBondContact O-CD2 3.37Å; K193-Y195 WeakPolarHBondContact O-CE2 3.4Å
196P97.3Very high74.9Confident84 Ų8488.4 Ų88.455%0.54545%0.454SS..EExtended strand (participates in β ladder)trans-67134.6174.228.3-33.2000109.9
197L96.4Very high72.7Confident15 Ų1594.7 Ų94.78%0.07948%0.481CS..  trans-75136.3177.3-68.1174000110.4V70 G72 V74 L97 V160 V175V70-L197 HydrophobicContact CG1-CB 3.91Å; G72-L197 WeakPolarHBondContact O-CB 3.38Å; G72-L197 PolarHBondContact O-N 3.13Å; V74-L197 HydrophobicContact CB-CD2 4.25Å; V74-L197 HydrophobicContact CG1-CD2 3.81Å; L97-L197 HydrophobicContact CD2-CD1 3.31Å; V160-L197 HydrophobicContact CB-CD1 4.39Å; V160-L197 HydrophobicContact CG2-CD1 4Å; V160-L197 HydrophobicContact CG2-CD2 3.66Å; V175-L197 HydrophobicContact CG2-CD2 4.15Å
198K92.7Very high70.9Confident145 Ų14593 Ų9363%0.6349%0.486SS*.BIsolated β-bridgetrans-111.7149.6177.8-62.6180-178177.80110.5G173 E174G173-K198 WeakPolarHBondContact CA-O 2.9Å; E174-K198 PolarHBondContact N-O 3.44Å; E174-K198 PolarHBondContact O-N 2.99Å
199R85Confident69.7Low149 Ų14990.6 Ų90.656%0.56247%0.474SS*.  trans-61.5145.5163-78.3-164.8178.1135-8.4108.4L68 E69 V70 T201L68-R199 PolarHBondContact O-NE 3.06Å; E69-R199 VanDerWaalsContact CA-NH2 3.34Å; V70-R199 HydrophobicContact CB-CG 3.63Å; V70-R199 HydrophobicContact CG2-CB 4.37Å; V70-R199 HydrophobicContact CG2-CG 3.55Å; R199-T201 PolarHBondContact O-N 2.85Å
200K71.3Confident69Low34 Ų3494.8 Ų94.815%0.14850%0.497CS..  trans-73.6107.3164.2-171.6173.7-137104.50107.8V60 F65 F171 E174V60-K200 WeakPolarHBondContact O-CD 3.38Å; V60-K200 WeakPolarHBondContact O-CE 3.23Å; V60-K200 PolarHBondContact O-NZ 3.46Å; F65-K200 HydrophobicContact CD2-CB 3.82Å; F65-K200 HydrophobicContact CD2-CD 4.01Å; F65-K200 HydrophobicContact CD2-CG 4.31Å; F65-K200 HydrophobicContact CE1-CD 4.08Å; F65-K200 HydrophobicContact CE2-CB 3.78Å; F65-K200 HydrophobicContact CE2-CD 3.07Å; F65-K200 HydrophobicContact CE2-CG 3.79Å; F65-K200 HydrophobicContact CG-CB 4.37Å; F65-K200 HydrophobicContact CZ-CB 4.26Å; F65-K200 HydrophobicContact CZ-CD 3.12Å; F65-K200 HydrophobicContact CZ-CG 4.22Å; F171-K200 HydrophobicContact CE1-CB 4.27Å; F171-K200 HydrophobicContact CZ-CB 4.1Å; E174-K200 WeakPolarHBondContact OE1-CB 2.94Å; E174-K200 VanDerWaalsContact OE1-CG 3.25Å; E174-K200 WeakPolarHBondContact OE1-CG 3.43Å; E174-K200 IonicContact OE1-NZ 3.79Å; E174-K200 PolarHBondContact OE1-NZ 3.09Å; E174-K200 VanDerWaalsContact OE1-NZ 3.16Å; E174-K200 IonicContact OE2-NZ 3.9Å; E174-K200 PolarHBondContact OE2-NZ 3.31Å
201T50.8Low69.1Low109 Ų10990.7 Ų90.767%0.66948%0.478SS*.  trans-66.6132161.3-43.80000106R199R199-T201 PolarHBondContact O-N 2.85Å
202A44.9Very low69.2Low53 Ų5384.8 Ų84.844%0.43845%0.451SS..  trans-45139.4167.700000107.7V204 L370A202-V204 VanDerWaalsContact C-N 3.35Å; A202-V204 PolarHBondContact O-N 2.83Å; A202-L370 HydrophobicContact CB-CD1 4.33Å
203P41.3Very low69.3Low79 Ų7985.6 Ų85.651%0.51345%0.453SS..  trans-54.4106.9-178.6-15.226.4000107A205 L206P203-A205 VanDerWaalsContact C-N 3.32Å; P203-A205 PolarHBondContact O-N 3.05Å; P203-L206 HydrophobicContact CB-CB 4.4Å
204V34.1Very low69.5Low125 Ų12582.5 Ų82.576%0.75844%0.44SS*.SBendtrans-54111.7159172.80000102.2A202 L206A202-V204 VanDerWaalsContact C-N 3.35Å; A202-V204 PolarHBondContact O-N 2.83Å; V204-L206 PolarHBondContact O-N 2.84Å
205A32.5Very low69.6Low79 Ų7980.2 Ų80.265%0.65343%0.433SS*.  trans0.590.5-174.400000110.9P203 E207P203-A205 VanDerWaalsContact C-N 3.32Å; P203-A205 PolarHBondContact O-N 3.05Å; A205-E207 PolarHBondContact O-N 2.87Å
206L38.2Very low69.6Low126 Ų12678.5 Ų78.566%0.6643%0.426SS*.  trans-68.988.4167-14899.6000104.1P203 V204 T208P203-L206 HydrophobicContact CB-CB 4.4Å; V204-L206 PolarHBondContact O-N 2.84Å; L206-T208 PolarHBondContact O-N 3.46Å
207E38.7Very low69.7Low157 Ų15774.5 Ų74.573%0.73440%0.4SS*.THydrogen-bonded Turntrans-44.2131.4168.4-60.2-166.815700106.9A205A205-E207 PolarHBondContact O-N 2.87Å
208T46.3Very low69.8Low140 Ų14073.8 Ų73.886%0.85940%0.397SS*.THydrogen-bonded Turntrans78.229.4159.662.70000121.1L206 N210L206-T208 PolarHBondContact O-N 3.46Å; T208-N210 PolarHBondContact O-N 2.96Å
209E56Low70Confident77 Ų7768.1 Ų68.136%0.3637%0.372SS..  trans-84.895.9145-84.4-169-178.400108.6R211E209-R211 WeakPolarHBondContact O-CG 3.37Å; E209-R211 PolarHBondContact O-N 3Å; E209-R211 IonicContact OE2-CZ 2.82Å; E209-R211 IonicContact OE2-NE 3.34Å; E209-R211 PolarHBondContact OE2-NE 2.93Å; E209-R211 IonicContact OE2-NH2 3.25Å; E209-R211 PolarHBondContact OE2-NH2 2.86Å
210N68.6Low70.6Confident111 Ų11161.6 Ų61.659%0.59435%0.348SS*.  trans-54.8107172-176.94.5000109.2T208 G212T208-N210 PolarHBondContact O-N 2.96Å; N210-G212 VanDerWaalsContact C-N 3.32Å; N210-G212 WeakPolarHBondContact OD1-CA 3.33Å; N210-G212 PolarHBondContact OD1-N 2.92Å
211R84.8Confident71.7Confident16 Ų1661.6 Ų61.66%0.0635%0.35CS..  trans-96.210.5176-60.6-53.4-173.1117-9112.2E209 P247 L319 L366 M368E209-R211 WeakPolarHBondContact O-CG 3.37Å; E209-R211 PolarHBondContact O-N 3Å; E209-R211 IonicContact OE2-CZ 2.82Å; E209-R211 IonicContact OE2-NE 3.34Å; E209-R211 PolarHBondContact OE2-NE 2.93Å; E209-R211 IonicContact OE2-NH2 3.25Å; E209-R211 PolarHBondContact OE2-NH2 2.86Å; R211-P247 VanDerWaalsContact O-CD 3.29Å; R211-P247 WeakPolarHBondContact O-CD 3.3Å; R211-L319 WeakPolarHBondContact CD-O 3.27Å; R211-L319 PolarHBondContact NH1-O 2.88Å; R211-L366 HydrophobicContact CB-CB 3.84Å; R211-L366 WeakPolarHBondContact CB-O 3.21Å; R211-L366 WeakPolarHBondContact O-CD1 3.42Å; R211-M368 PolarHBondContact NH1-SD 3.49Å
212G91.7Very high73.7Confident1 Ų157.9 Ų57.91%0.0133%0.328CS..  trans81.7-177.9-169.300000112.2N210 L244 D245 L366N210-G212 VanDerWaalsContact C-N 3.32Å; N210-G212 WeakPolarHBondContact OD1-CA 3.33Å; N210-G212 PolarHBondContact OD1-N 2.92Å; G212-L244 CarbonylContact C-O 3.49Å; G212-L244 WeakPolarHBondContact CA-O 3.36Å; G212-D245 WeakPolarHBondContact CA-O 2.97Å; G212-L366 WeakPolarHBondContact O-CB 3.48Å; G212-L366 PolarHBondContact O-N 3.22Å
213E96.6Very high75.6Confident86 Ų8659.2 Ų59.240%0.40233%0.325SS..EExtended strand (participates in β ladder)trans-123.1156.5179.2-58.4178.8164.900109.4C243 L244 T363 L364E213-C243 CarbonylContact O-C 3.46Å; E213-C243 WeakPolarHBondContact O-CA 3.23Å; E213-C243 WeakPolarHBondContact O-CB 3.38Å; E213-L244 HydrophobicContact CB-CB 4.45Å; E213-L244 PolarHBondContact N-O 3.49Å; E213-L244 PolarHBondContact O-N 3.18Å; E213-T363 HydrophobicContact CB-CG2 3.7Å; E213-T363 HydrophobicContact CG-CG2 4.41Å; E213-T363 VanDerWaalsContact OE2-CG2 3.23Å; E213-T363 WeakPolarHBondContact OE2-CG2 3.21Å; E213-L364 CarbonylContact C-O 3.39Å; E213-L364 WeakPolarHBondContact CA-O 3.19Å
214M98.2Very high77.1Confident0 Ų061.1 Ų61.10%034%0.338CS..EExtended strand (participates in β ladder)trans-119.7126.3170.5178.7-177.3-66.300109.4L216 V240 V258 L306 V308 L322 T363 L364 L366M214-L216 HydrophobicContact CG-CD2 4.11Å; M214-L216 HydrophobicContact SD-CD2 4.38Å; M214-V240 HydrophobicContact SD-CG1 4.21Å; M214-V258 HydrophobicContact CE-CG1 3.91Å; M214-V258 HydrophobicContact CE-CG2 3.87Å; M214-L306 HydrophobicContact CE-CB 4.44Å; M214-L306 HydrophobicContact SD-CB 4.3Å; M214-L306 HydrophobicContact SD-CD1 3.97Å; M214-V308 HydrophobicContact CE-CG2 3.39Å; M214-L322 HydrophobicContact CB-CD1 3.98Å; M214-L322 HydrophobicContact CG-CD1 4.39Å; M214-L322 HydrophobicContact SD-CD1 4.03Å; M214-T363 WeakPolarHBondContact O-CA 3.17Å; M214-L364 PolarHBondContact N-O 3.03Å; M214-L364 PolarHBondContact O-N 3.47Å; M214-L366 HydrophobicContact CB-CD2 4.01Å; M214-L366 HydrophobicContact CB-CG 4.42Å; M214-L366 HydrophobicContact CE-CD2 4.22Å
215K98.5Very high78.6Confident62 Ų6257.5 Ų57.527%0.2732%0.318SS..EExtended strand (participates in β ladder)trans-94.8125.6170-172.7177.8178.3177.80109.2K241 E242 E361 A362K215-K241 HydrophobicContact CG-CD 4.32Å; K215-K241 WeakPolarHBondContact O-CB 3.44Å; K215-K241 PolarHBondContact O-N 2.91Å; K215-E242 HydrophobicContact CB-CG 3.89Å; K215-E242 HydrophobicContact CD-CG 4.27Å; K215-E242 WeakPolarHBondContact CD-OE1 3.29Å; K215-E242 PolarHBondContact N-O 3.03Å; K215-E242 IonicContact NZ-OE1 3.73Å; K215-E242 PolarHBondContact O-N 3.27Å; K215-E361 WeakPolarHBondContact CE-OE1 3.17Å; K215-E361 IonicContact NZ-OE1 3.92Å; K215-A362 WeakPolarHBondContact CA-O 3.47Å
216L98.7Very high79.9Confident0 Ų060.4 Ų60.40%033%0.33CS..EExtended strand (participates in β ladder)trans-148.5164.7-177.669.8149.7000111.5M214 L218 W239 L306 L322 I324 L348 E361 A362 L364M214-L216 HydrophobicContact CG-CD2 4.11Å; M214-L216 HydrophobicContact SD-CD2 4.38Å; L216-L218 HydrophobicContact CD1-CD2 3.97Å; L216-L218 HydrophobicContact CD1-CG 4.36Å; L216-W239 CarbonylContact C-O 3.58Å; L216-W239 WeakPolarHBondContact CA-O 3.45Å; L216-W239 WeakPolarHBondContact CB-O 3.22Å; L216-L306 HydrophobicContact CD1-CD1 3.72Å; L216-L322 HydrophobicContact CD2-CD1 3.92Å; L216-I324 HydrophobicContact CD1-CD1 3.49Å; L216-I324 VanDerWaalsContact CD1-CD1 3.49Å; L216-I324 HydrophobicContact CD2-CD1 4.4Å; L216-L348 HydrophobicContact CD1-CD2 4.32Å; L216-L348 HydrophobicContact CG-CD2 4.36Å; L216-E361 WeakPolarHBondContact O-CA 3.11Å; L216-A362 PolarHBondContact N-O 2.97Å; L216-A362 PolarHBondContact O-N 3.33Å; L216-A362 VanDerWaalsContact O-O 3.13Å; L216-L364 HydrophobicContact CD2-CD1 4.24Å
217A98.6Very high81.1Confident1 Ų156.9 Ų56.91%0.00832%0.324CS..EExtended strand (participates in β ladder)trans-129.7148.1168.200000111W239 W359 V360 E361A217-W239 HydrophobicContact CB-CB 4.4Å; A217-W239 HydrophobicContact CB-CE3 4.23Å; A217-W239 PolarHBondContact N-O 2.99Å; A217-W239 PolarHBondContact O-N 2.79Å; A217-W359 HydrophobicContact CB-CE3 3.64Å; A217-W359 HydrophobicContact CB-CZ3 4.21Å; A217-W359 WeakPolarHBondContact O-CZ3 3.2Å; A217-V360 CarbonylContact C-O 3.53Å; A217-V360 WeakPolarHBondContact CA-O 3.37Å; A217-V360 WeakPolarHBondContact CB-O 3.29Å; A217-E361 HydrophobicContact CB-CB 4.1Å
218L98.4Very high82Confident0 Ų060 Ų600%034%0.335CS..EExtended strand (participates in β ladder)trans-120149.7176.1-57.4-176.1000110.3L216 H237 I238 I324 L348 W349 M352 W359 V360L216-L218 HydrophobicContact CD1-CD2 3.97Å; L216-L218 HydrophobicContact CD1-CG 4.36Å; L218-H237 WeakPolarHBondContact CA-O 3.31Å; L218-I238 HydrophobicContact CD2-CB 4.07Å; L218-I238 HydrophobicContact CD2-CG1 3.78Å; L218-I238 HydrophobicContact CD2-CG2 3.83Å; L218-I324 HydrophobicContact CD1-CG2 3.85Å; L218-L348 HydrophobicContact CD1-CD2 4Å; L218-L348 HydrophobicContact CD1-CG 4Å; L218-L348 HydrophobicContact CG-CD2 4.22Å; L218-L348 HydrophobicContact CG-CG 4.41Å; L218-W349 HydrophobicContact CD1-CE3 3.87Å; L218-W349 HydrophobicContact CD1-CZ3 4.19Å; L218-M352 HydrophobicContact CB-CB 4.23Å; L218-M352 HydrophobicContact CB-CG 3.94Å; L218-M352 HydrophobicContact CB-SD 3.61Å; L218-M352 HydrophobicContact CD1-SD 4.22Å; L218-W359 WeakPolarHBondContact O-CA 3.16Å; L218-V360 HydrophobicContact CB-CG2 4.1Å; L218-V360 PolarHBondContact N-O 3.35Å; L218-V360 WeakPolarHBondContact O-CG2 3.37Å; L218-V360 PolarHBondContact O-N 3.07Å
219Q97.9Very high82.9Confident25 Ų2561.7 Ų61.712%0.11733%0.33CS..EExtended strand (participates in β ladder)trans-147.1133.5171.9179.6-173.243.600109V221 H237 N357 W359Q219-V221 HydrophobicContact CG-CG2 3.83Å; Q219-H237 HydrophobicContact CB-CB 4.24Å; Q219-H237 PolarHBondContact N-O 2.63Å; Q219-H237 PolarHBondContact O-N 3.2Å; Q219-N357 PolarHBondContact NE2-O 2.82Å; Q219-W359 HydrophobicContact CB-CD2 3.73Å; Q219-W359 HydrophobicContact CB-CE3 3.72Å; Q219-W359 HydrophobicContact CB-CG 4.24Å; Q219-W359 HydrophobicContact CB-CH2 4.33Å; Q219-W359 HydrophobicContact CB-CZ2 4.3Å; Q219-W359 HydrophobicContact CB-CZ3 4.03Å
220Y96.4Very high83.3Confident13 Ų1365.1 Ų65.15%0.05135%0.35CS..EExtended strand (participates in β ladder)trans-100.7126.6167.2177.3-118.5000109.5P222 E235 V236 F294 L299 N357Y220-P222 HydrophobicContact CD1-CG 4.08Å; Y220-P222 HydrophobicContact CE1-CB 4.32Å; Y220-P222 HydrophobicContact CE1-CG 3.69Å; Y220-E235 CarbonylContact C-O 3.53Å; Y220-E235 WeakPolarHBondContact CA-O 3.41Å; Y220-E235 WeakPolarHBondContact CD2-O 3.2Å; Y220-V236 HydrophobicContact CD2-CG2 3.97Å; Y220-F294 HydrophobicContact CE2-CB 4.21Å; Y220-L299 HydrophobicContact CD1-CD1 3.85Å; Y220-L299 HydrophobicContact CD2-CD1 4.11Å; Y220-L299 HydrophobicContact CD2-CD2 3.95Å; Y220-L299 HydrophobicContact CE1-CD1 3.68Å; Y220-L299 HydrophobicContact CE2-CD1 3.96Å; Y220-L299 HydrophobicContact CE2-CD2 4.09Å; Y220-L299 HydrophobicContact CE2-CG 4.39Å; Y220-L299 HydrophobicContact CG-CD1 4.06Å; Y220-L299 HydrophobicContact CG-CD2 4.45Å; Y220-N357 PolarHBondContact O-N 3.09Å
221V95.4Very high83Confident34 Ų3461.9 Ų61.921%0.20634%0.336CS..EExtended strand (participates in β ladder)trans-118.298.6-179.6-176.70000108.1Q219 G234 E235Q219-V221 HydrophobicContact CG-CG2 3.83Å; V221-G234 CarbonylContact O-C 3.16Å; V221-G234 WeakPolarHBondContact O-CA 3.34Å; V221-E235 HydrophobicContact CB-CB 4.44Å; V221-E235 PolarHBondContact N-O 3.28Å; V221-E235 PolarHBondContact O-N 2.92Å
222P92.4Very high82.8Confident30 Ų3066 Ų6620%0.19536%0.363CS..EExtended strand (participates in β ladder)trans-59.4139.3173.1-17.728.5000110.5Y220 P231 P356Y220-P222 HydrophobicContact CD1-CG 4.08Å; Y220-P222 HydrophobicContact CE1-CB 4.32Å; Y220-P222 HydrophobicContact CE1-CG 3.69Å; P222-P231 HydrophobicContact CB-CB 3.97Å; P222-P231 HydrophobicContact CB-CG 3.92Å; P222-P356 HydrophobicContact CG-CB 4.03Å
223E85Confident82.8Confident82 Ų8267.2 Ų67.238%0.38337%0.37SS..  trans-61.3135174.3-81-177.2-151.500110.3S225 P231 T233E223-S225 PolarHBondContact O-N 3.39Å; E223-S225 VanDerWaalsContact O-N 3.11Å; E223-P231 VanDerWaalsContact O-CB 3.28Å; E223-P231 WeakPolarHBondContact O-CB 3.37Å; E223-P231 WeakPolarHBondContact O-CG 3.08Å; E223-T233 VanDerWaalsContact CB-O 3.29Å; E223-T233 WeakPolarHBondContact CB-O 3.23Å; E223-T233 PolarHBondContact N-O 2.94Å; E223-T233 PolarHBondContact OE1-OG1 2.78Å; E223-T233 PolarHBondContact OE2-OG1 3.4Å
224P72.9Confident82.6Confident119 Ų11963.1 Ų63.177%0.77335%0.351SS*.  trans-65.2115.6173.325.5-31.2000109.2P226P224-P226 VanDerWaalsContact O-CD 3.28Å; P224-P226 WeakPolarHBondContact O-CD 3.39Å
225S65Low82.5Confident48 Ų4866.5 Ų66.534%0.33637%0.367SS..  trans-76.1122.2176.153.20000110.6E223 G227 K229E223-S225 PolarHBondContact O-N 3.39Å; E223-S225 VanDerWaalsContact O-N 3.11Å; S225-G227 VanDerWaalsContact C-N 3.3Å; S225-G227 PolarHBondContact O-N 3.11Å; S225-G227 PolarHBondContact OG-O 3.33Å; S225-K229 WeakPolarHBondContact CB-O 3.19Å; S225-K229 PolarHBondContact OG-O 3.17Å
226P59.1Low82.4Confident140 Ų14063.6 Ų63.691%0.90935%0.354SS*.SBendtrans-71.290.1167.826.1-29.5000109.1P224P224-P226 VanDerWaalsContact O-CD 3.28Å; P224-P226 WeakPolarHBondContact O-CD 3.39Å
227G64Low82.4Confident52 Ų5265.1 Ų65.154%0.53636%0.361SS..SBendtrans121.1173.3176.800000113.9S225 K229S225-G227 VanDerWaalsContact C-N 3.3Å; S225-G227 PolarHBondContact O-N 3.11Å; S225-G227 PolarHBondContact OG-O 3.33Å; G227-K229 PolarHBondContact O-N 2.96Å
228K57.7Low82.4Confident224 Ų22465 Ų6597%0.97436%0.361SS*.SBendtrans-62.717.3179.4-71.3-174.2176.8-179.10115.4
229K64.8Low82.4Confident174 Ų17468.8 Ų68.876%0.75738%0.375SS*.SBendtrans-88.5144.3175-67-173.6177.6-177.90108.8S225 G227S225-K229 WeakPolarHBondContact CB-O 3.19Å; S225-K229 PolarHBondContact OG-O 3.17Å; G227-K229 PolarHBondContact O-N 2.96Å
230L64.7Low82.4Confident149 Ų14967.6 Ų67.678%0.7837%0.369SS*.PPolyproline II helixtrans-61.3149.3172.1-93.578.1000110T232L230-T232 PolarHBondContact O-N 3.29Å
231P63.2Low82.5Confident44 Ų4468.2 Ų68.229%0.28637%0.372SS..PPolyproline II helixtrans-48.7127.5167.9-26.835.4000110.4P222 E223P222-P231 HydrophobicContact CB-CB 3.97Å; P222-P231 HydrophobicContact CB-CG 3.92Å; E223-P231 VanDerWaalsContact O-CB 3.28Å; E223-P231 WeakPolarHBondContact O-CB 3.37Å; E223-P231 WeakPolarHBondContact O-CG 3.08Å
232T80Confident82.7Confident103 Ų10368.8 Ų68.863%0.63237%0.373SS*.SBendtrans-81.2-27.5177.245.60000112.1L230L230-T232 PolarHBondContact O-N 3.29Å
233T90.8Very high82.9Confident26 Ų2667.4 Ų67.416%0.1636%0.363CS..  trans-148.6172.1-174.140.40000109.7E223 F294 R295E223-T233 VanDerWaalsContact CB-O 3.29Å; E223-T233 WeakPolarHBondContact CB-O 3.23Å; E223-T233 PolarHBondContact N-O 2.94Å; E223-T233 PolarHBondContact OE1-OG1 2.78Å; E223-T233 PolarHBondContact OE2-OG1 3.4Å; T233-F294 CarbonylContact C-O 3.28Å; T233-F294 VanDerWaalsContact C-O 3.28Å; T233-F294 WeakPolarHBondContact CA-O 3.49Å; T233-R295 HydrophobicContact CG2-CG 4.26Å
234G93.5Very high83.5Confident0 Ų065.8 Ų65.80%036%0.357CS..EExtended strand (participates in β ladder)trans-159.1178.9174.500000111.5V221 G293 F294V221-G234 CarbonylContact O-C 3.16Å; V221-G234 WeakPolarHBondContact O-CA 3.34Å; G234-G293 PolarHBondContact O-N 3.38Å; G234-F294 PolarHBondContact N-O 2.83Å; G234-F294 PolarHBondContact O-N 3.25Å
235E95.8Very high84.5Confident71 Ų7165 Ų6533%0.33235%0.346SS..EExtended strand (participates in β ladder)trans-112.3137.5-179.9-59.6178.3165.600110.5Y220 V221 H237 V290 Y291 D292Y220-E235 CarbonylContact C-O 3.53Å; Y220-E235 WeakPolarHBondContact CA-O 3.41Å; Y220-E235 WeakPolarHBondContact CD2-O 3.2Å; V221-E235 HydrophobicContact CB-CB 4.44Å; V221-E235 PolarHBondContact N-O 3.28Å; V221-E235 PolarHBondContact O-N 2.92Å; E235-H237 IonicContact OE2-CD2 3.53Å; E235-H237 IonicContact OE2-CE1 3.23Å; E235-H237 IonicContact OE2-NE2 2.98Å; E235-H237 PolarHBondContact OE2-NE2 3.17Å; E235-V290 HydrophobicContact CB-CG1 4.17Å; E235-V290 HydrophobicContact CG-CG1 4.45Å; E235-Y291 CarbonylContact C-O 3.5Å; E235-Y291 VanDerWaalsContact CA-O 3.27Å; E235-Y291 WeakPolarHBondContact CA-O 3.45Å; E235-D292 HydrophobicContact CG-CB 4.36Å
236V96.9Very high85.8Confident0 Ų062.9 Ų62.90%033%0.331CS..EExtended strand (participates in β ladder)trans-102.2118.3166.3178.40000108.2Y220 I238 Y291 F294 L299 W349 M352Y220-V236 HydrophobicContact CD2-CG2 3.97Å; V236-I238 HydrophobicContact CG1-CD1 3.88Å; V236-I238 HydrophobicContact CG1-CG1 4.19Å; V236-Y291 PolarHBondContact N-O 2.74Å; V236-Y291 PolarHBondContact O-N 3.04Å; V236-F294 HydrophobicContact CB-CD2 4.13Å; V236-F294 HydrophobicContact CB-CE2 3.73Å; V236-F294 HydrophobicContact CB-CZ 4.01Å; V236-F294 HydrophobicContact CG2-CD1 3.96Å; V236-F294 HydrophobicContact CG2-CD2 3.63Å; V236-F294 HydrophobicContact CG2-CE1 3.94Å; V236-F294 HydrophobicContact CG2-CE2 3.61Å; V236-F294 HydrophobicContact CG2-CG 3.79Å; V236-F294 HydrophobicContact CG2-CZ 3.75Å; V236-L299 HydrophobicContact CG2-CD2 3.84Å; V236-W349 HydrophobicContact CG1-CH2 4.37Å; V236-W349 HydrophobicContact CG1-CZ3 4.42Å; V236-M352 HydrophobicContact CG1-SD 4.08Å
237H98.1Very high87Confident32 Ų3257.3 Ų57.315%0.14830%0.295CS..EExtended strand (participates in β ladder)trans-100.5126.9177.8-68.2-126.5000109.1L218 Q219 E235 W359L218-H237 WeakPolarHBondContact CA-O 3.31Å; Q219-H237 HydrophobicContact CB-CB 4.24Å; Q219-H237 PolarHBondContact N-O 2.63Å; Q219-H237 PolarHBondContact O-N 3.2Å; E235-H237 IonicContact OE2-CD2 3.53Å; E235-H237 IonicContact OE2-CE1 3.23Å; E235-H237 IonicContact OE2-NE2 2.98Å; E235-H237 PolarHBondContact OE2-NE2 3.17Å; H237-W359 HydrophobicContact CB-CH2 3.58Å; H237-W359 HydrophobicContact CB-CZ2 4.13Å; H237-W359 HydrophobicContact CB-CZ3 4.18Å
238I98.5Very high88Confident0 Ų058.9 Ų58.90%029%0.291CS..EExtended strand (participates in β ladder)trans-119.9106.4-179-55.898.2000108.7L218 V236 V240 I262 T288 M289 Y291 V304 L306L218-I238 HydrophobicContact CD2-CB 4.07Å; L218-I238 HydrophobicContact CD2-CG1 3.78Å; L218-I238 HydrophobicContact CD2-CG2 3.83Å; V236-I238 HydrophobicContact CG1-CD1 3.88Å; V236-I238 HydrophobicContact CG1-CG1 4.19Å; I238-V240 HydrophobicContact CG2-CG2 4.27Å; I238-I262 HydrophobicContact CD1-CD1 4.37Å; I238-T288 CarbonylContact O-C 3.35Å; I238-T288 WeakPolarHBondContact O-CA 3.37Å; I238-M289 PolarHBondContact N-O 3.35Å; I238-M289 PolarHBondContact O-N 3.37Å; I238-Y291 HydrophobicContact CD1-CD2 3.5Å; I238-Y291 HydrophobicContact CD1-CE2 3.86Å; I238-V304 HydrophobicContact CD1-CG2 4.48Å; I238-V304 HydrophobicContact CG1-CG1 4.28Å; I238-V304 HydrophobicContact CG1-CG2 4.2Å; I238-L306 HydrophobicContact CG2-CD1 4.15Å; I238-L306 HydrophobicContact CG2-CD2 4.29Å
239W98.6Very high88.6Confident78 Ų7851.6 Ų51.630%0.29526%0.262SS..EExtended strand (participates in β ladder)trans-98.1100.6177.9-177.415.2000110.7L216 A217 K241 W359L216-W239 CarbonylContact C-O 3.58Å; L216-W239 WeakPolarHBondContact CA-O 3.45Å; L216-W239 WeakPolarHBondContact CB-O 3.22Å; A217-W239 HydrophobicContact CB-CB 4.4Å; A217-W239 HydrophobicContact CB-CE3 4.23Å; A217-W239 PolarHBondContact N-O 2.99Å; A217-W239 PolarHBondContact O-N 2.79Å; W239-K241 HydrophobicContact CD2-CG 4.11Å; W239-K241 HydrophobicContact CG-CG 4.25Å; W239-K241 HydrophobicContact CZ2-CG 4.43Å; W239-K241 PolarHBondContact O-N 2.87Å; W239-W359 HydrophobicContact CB-CE3 4.37Å; W239-W359 HydrophobicContact CB-CH2 3.78Å; W239-W359 HydrophobicContact CB-CZ3 3.53Å; W239-W359 HydrophobicContact CE3-CE3 4.49Å
240V98.5Very high88.8Confident0 Ų045.9 Ų45.90%024%0.236CC..EExtended strand (participates in β ladder)trans-81.2109.5174.1-177.20000108.4M214 I238 V258 F285 N286 H287 M289 L306M214-V240 HydrophobicContact SD-CG1 4.21Å; I238-V240 HydrophobicContact CG2-CG2 4.27Å; V240-V258 HydrophobicContact CG1-CB 4.37Å; V240-V258 HydrophobicContact CG1-CG1 4.47Å; V240-V258 HydrophobicContact CG1-CG2 4.02Å; V240-V258 HydrophobicContact CG2-CG1 4.46Å; V240-F285 HydrophobicContact CG1-CB 4.25Å; V240-F285 HydrophobicContact CG1-CD2 3.88Å; V240-F285 HydrophobicContact CG1-CG 4.32Å; V240-N286 WeakPolarHBondContact O-CA 3.28Å; V240-N286 PolarHBondContact O-N 3.36Å; V240-H287 PolarHBondContact N-O 3.16Å; V240-H287 PolarHBondContact O-N 2.77Å; V240-M289 HydrophobicContact CG2-CE 4.01Å; V240-L306 HydrophobicContact CG2-CD2 3.93Å
241K98.4Very high89Confident26 Ų2640.5 Ų40.511%0.11322%0.216CC..EExtended strand (participates in β ladder)trans-86.9-65.3-175.7-57.8-170.6-179.6-168.30111.2K215 W239 V284 F285 N286 E361K215-K241 HydrophobicContact CG-CD 4.32Å; K215-K241 WeakPolarHBondContact O-CB 3.44Å; K215-K241 PolarHBondContact O-N 2.91Å; W239-K241 HydrophobicContact CD2-CG 4.11Å; W239-K241 HydrophobicContact CG-CG 4.25Å; W239-K241 HydrophobicContact CZ2-CG 4.43Å; W239-K241 PolarHBondContact O-N 2.87Å; K241-V284 CarbonylContact O-C 3.36Å; K241-F285 PolarHBondContact O-N 3.25Å; K241-N286 PolarHBondContact O-N 3.37Å; K241-E361 IonicContact NZ-OE1 3.74Å; K241-E361 PolarHBondContact NZ-OE1 2.77Å; K241-E361 IonicContact NZ-OE2 3.33Å; K241-E361 PolarHBondContact NZ-OE2 3.29Å
242E98.2Very high89.7Confident47 Ų4742.5 Ų42.522%0.2223%0.231CC..EExtended strand (participates in β ladder)trans-155.3161.3-175.361.7-170.9147.600111.6K215 P283 V284K215-E242 HydrophobicContact CB-CG 3.89Å; K215-E242 HydrophobicContact CD-CG 4.27Å; K215-E242 WeakPolarHBondContact CD-OE1 3.29Å; K215-E242 PolarHBondContact N-O 3.03Å; K215-E242 IonicContact NZ-OE1 3.73Å; K215-E242 PolarHBondContact O-N 3.27Å; E242-P283 CarbonylContact C-O 3.59Å; E242-P283 WeakPolarHBondContact CA-O 3.45Å; E242-P283 WeakPolarHBondContact CB-O 3.48Å; E242-V284 HydrophobicContact CB-CB 4.46Å; E242-V284 HydrophobicContact CB-CG2 4.14Å
243C98Very high89.8Confident0 Ų042.5 Ų42.50%022%0.224CC..EExtended strand (participates in β ladder)trans-112.3150.8161.3-67.10000109.9E213 L246 N282 P283E213-C243 CarbonylContact O-C 3.46Å; E213-C243 WeakPolarHBondContact O-CA 3.23Å; E213-C243 WeakPolarHBondContact O-CB 3.38Å; C243-L246 HydrophobicContact CB-CD1 3.82Å; C243-L246 HydrophobicContact CB-CD2 3.79Å; C243-L246 HydrophobicContact CB-CG 3.75Å; C243-N282 CarbonylContact O-C 3.47Å; C243-N282 WeakPolarHBondContact O-CA 3.09Å; C243-P283 HydrophobicContact CB-CG 3.96Å; C243-P283 PolarHBondContact N-O 2.96Å; C243-P283 WeakPolarHBondContact O-CD 3.2Å
244L96.4Very high89.7Confident49 Ų4941.3 Ų41.326%0.25722%0.217SC..EExtended strand (participates in β ladder)trans-118.8141.4179.3-57.8172.5000109.5G212 E213 L246 N282G212-L244 CarbonylContact C-O 3.49Å; G212-L244 WeakPolarHBondContact CA-O 3.36Å; E213-L244 HydrophobicContact CB-CB 4.45Å; E213-L244 PolarHBondContact N-O 3.49Å; E213-L244 PolarHBondContact O-N 3.18Å; L244-L246 VanDerWaalsContact C-N 3.3Å; L244-L246 PolarHBondContact O-N 2.98Å; L244-N282 VanDerWaalsContact CA-OD1 3.28Å; L244-N282 WeakPolarHBondContact CA-OD1 3.08Å
245D93.6Very high89.6Confident101 Ų10144.2 Ų44.254%0.5423%0.232SC..SBendtrans5140.8172.3-63.5-32.2000115.5G212 N282G212-D245 WeakPolarHBondContact CA-O 2.97Å; D245-N282 PolarHBondContact N-OD1 3.05Å
246L93.1Very high89.6Confident4 Ų440.8 Ų40.82%0.02122%0.216CC..  trans-61.4138.9176.1-67.3180000111.7C243 L244 L248 L254 S256 T281 P283 V308 L319 L366C243-L246 HydrophobicContact CB-CD1 3.82Å; C243-L246 HydrophobicContact CB-CD2 3.79Å; C243-L246 HydrophobicContact CB-CG 3.75Å; L244-L246 VanDerWaalsContact C-N 3.3Å; L244-L246 PolarHBondContact O-N 2.98Å; L246-L248 PolarHBondContact O-N 3.14Å; L246-L254 HydrophobicContact CB-CD1 3.64Å; L246-L254 HydrophobicContact CD1-CD1 4.49Å; L246-S256 WeakPolarHBondContact CD1-OG 3.42Å; L246-T281 WeakPolarHBondContact CB-O 3.47Å; L246-T281 WeakPolarHBondContact CG-O 3.33Å; L246-T281 PolarHBondContact N-O 2.84Å; L246-T281 WeakPolarHBondContact O-CG2 3.27Å; L246-P283 HydrophobicContact CD1-CG 3.55Å; L246-V308 HydrophobicContact CD1-CG1 3.96Å; L246-V308 HydrophobicContact CD2-CG1 4.16Å; L246-L319 HydrophobicContact CB-CD1 4.33Å; L246-L319 HydrophobicContact CD1-CD1 4.01Å; L246-L366 HydrophobicContact CD2-CD1 3.42Å; L246-L366 VanDerWaalsContact CD2-CD1 3.42Å
247P84.4Confident89.6Confident23 Ų2341.6 Ų41.615%0.14922%0.22CC..  trans-73.9130.5-175.628.7-35.7000112.3R211 L249R211-P247 VanDerWaalsContact O-CD 3.29Å; R211-P247 WeakPolarHBondContact O-CD 3.3Å; P247-L249 VanDerWaalsContact C-N 3.35Å; P247-L249 HydrophobicContact CB-CD2 3.89Å; P247-L249 HydrophobicContact CB-CG 4.09Å; P247-L249 HydrophobicContact CG-CD1 4.47Å; P247-L249 HydrophobicContact CG-CD2 4.28Å; P247-L249 HydrophobicContact CG-CG 4.15Å; P247-L249 PolarHBondContact O-N 3.02Å
248L84.2Confident89.6Confident85 Ų8540 Ų4045%0.44521%0.213SC..  trans-75.384.9167.2-102.374.9000110.5L246 S252 L254 T281L246-L248 PolarHBondContact O-N 3.14Å; L248-S252 WeakPolarHBondContact CD2-O 3.45Å; L248-L254 HydrophobicContact CD1-CD1 3.94Å; L248-L254 HydrophobicContact CD1-CD2 4.39Å; L248-L254 HydrophobicContact CD1-CG 3.75Å; L248-L254 HydrophobicContact CG-CD2 4.4Å; L248-L254 HydrophobicContact CG-CG 4.23Å; L248-T281 HydrophobicContact CD1-CG2 3.13Å
249L70.6Confident89.4Confident71 Ų7143.1 Ų43.137%0.37223%0.226SC..  trans-82.7-27.6179.5-58.5-179.4000112.9P247 Q317 L319P247-L249 VanDerWaalsContact C-N 3.35Å; P247-L249 HydrophobicContact CB-CD2 3.89Å; P247-L249 HydrophobicContact CB-CG 4.09Å; P247-L249 HydrophobicContact CG-CD1 4.47Å; P247-L249 HydrophobicContact CG-CD2 4.28Å; P247-L249 HydrophobicContact CG-CG 4.15Å; P247-L249 PolarHBondContact O-N 3.02Å; L249-Q317 VanDerWaalsContact CB-CD 3.45Å; L249-Q317 HydrophobicContact CD1-CG 4.25Å; L249-L319 HydrophobicContact CD1-CD2 3.95Å; L249-L319 HydrophobicContact CG-CD2 4.28Å
250R69.5Low89.3Confident54 Ų5439.4 Ų39.420%0.20421%0.212CC..SBendtrans-147.5144.2176-69.4178.8-166.3162.26.3111.4S56 Y312 Q317S56-R250 VanDerWaalsContact CB-NH2 3.32Å; S56-R250 PolarHBondContact OG-NH2 2.92Å; R250-Y312 HydrophobicContact CB-CD2 4.33Å; R250-Y312 HydrophobicContact CB-CE2 4.44Å; R250-Q317 VanDerWaalsContact CB-OE1 3.32Å; R250-Q317 VanDerWaalsContact CG-OE1 3.23Å
251G69.6Low89.1Confident36 Ų3639.9 Ų39.937%0.37122%0.215SC..SBendtrans78.1-173.4177.700000113.3
252S76.5Confident89Confident86 Ų8639.4 Ų39.460%0.60121%0.213SC*.SBendtrans-96.9-11.517757.80000113.2L248L248-S252 WeakPolarHBondContact CD2-O 3.45Å
253H82.3Confident88.7Confident103 Ų10337.2 Ų37.248%0.47720%0.203SC..SBendtrans-149.2148.5-173.8-58.8-56.4000109.4
254L89.1Confident88.4Confident1 Ų140.2 Ų40.21%0.00522%0.222CC..  trans-96.1144.3172.4-60.4176.4000111L246 L248 G278 K279 T281 D310 L319L246-L254 HydrophobicContact CB-CD1 3.64Å; L246-L254 HydrophobicContact CD1-CD1 4.49Å; L248-L254 HydrophobicContact CD1-CD1 3.94Å; L248-L254 HydrophobicContact CD1-CD2 4.39Å; L248-L254 HydrophobicContact CD1-CG 3.75Å; L248-L254 HydrophobicContact CG-CD2 4.4Å; L248-L254 HydrophobicContact CG-CG 4.23Å; L254-G278 CarbonylContact O-C 3.58Å; L254-G278 WeakPolarHBondContact O-CA 3.2Å; L254-K279 PolarHBondContact O-N 3.38Å; L254-T281 HydrophobicContact CD1-CG2 4.3Å; L254-D310 HydrophobicContact CD2-CB 4.01Å; L254-L319 HydrophobicContact CD1-CD1 4.14Å; L254-L319 HydrophobicContact CD2-CD1 4.48Å; L254-L319 HydrophobicContact CD2-CD2 4.49Å
255N92.1Very high88.1Confident61 Ų6141.6 Ų41.633%0.32623%0.23SC..EExtended strand (participates in β ladder)trans-118.376.6165.2-59.3-72.2000108.5V277 G278 D310 H311N255-V277 CarbonylContact C-O 3.52Å; N255-G278 WeakPolarHBondContact OD1-CA 3.21Å; N255-D310 PolarHBondContact N-OD1 3.46Å; N255-H311 HydrophobicContact CB-CB 4.23Å; N255-H311 WeakPolarHBondContact O-CB 3.45Å; N255-H311 PolarHBondContact O-N 2.72Å
256S94.8Very high87.6Confident0 Ų038.6 Ų38.60%022%0.216CC..EExtended strand (participates in β ladder)trans-82.4144.4-167.3-60.10000112.2L246 A276 V277 F285 W309L246-S256 WeakPolarHBondContact CD1-OG 3.42Å; S256-A276 CarbonylContact O-C 3.46Å; S256-A276 VanDerWaalsContact O-CA 3.3Å; S256-A276 WeakPolarHBondContact O-CA 3.48Å; S256-V277 PolarHBondContact N-O 3.21Å; S256-V277 PolarHBondContact O-N 3.37Å; S256-F285 WeakPolarHBondContact O-CE1 3.32Å; S256-W309 CarbonylContact C-O 3.48Å; S256-W309 WeakPolarHBondContact CA-O 3.44Å
257F96.7Very high87.1Confident16 Ų1640.5 Ų40.57%0.0723%0.23CC..EExtended strand (participates in β ladder)trans-145.6157.1169.466.9-80.7000110.1K259 A276 W309 H311 N316F257-K259 HydrophobicContact CD2-CG 4.2Å; F257-K259 HydrophobicContact CE2-CD 4.24Å; F257-K259 HydrophobicContact CE2-CG 3.84Å; F257-A276 HydrophobicContact CB-CB 4.18Å; F257-W309 HydrophobicContact CD1-CB 4.03Å; F257-W309 WeakPolarHBondContact CD1-O 3.46Å; F257-W309 HydrophobicContact CE1-CB 3.53Å; F257-W309 HydrophobicContact CE2-CB 4.08Å; F257-W309 HydrophobicContact CE2-CG 4.34Å; F257-W309 HydrophobicContact CG-CB 4.49Å; F257-W309 HydrophobicContact CZ-CB 3.56Å; F257-W309 HydrophobicContact CZ-CG 4.08Å; F257-W309 PolarHBondContact N-O 2.79Å; F257-W309 PolarHBondContact O-N 2.87Å; F257-H311 HydrophobicContact CD1-CB 4.33Å; F257-H311 HydrophobicContact CE1-CB 4.1Å; F257-N316 HydrophobicContact CZ-CB 4.45Å
258V97.4Very high87Confident0 Ų050.2 Ų50.20%026%0.263CS..EExtended strand (participates in β ladder)trans-111134.9-179.2-176.30000109.2M214 V240 K273 T274 F285 L306 T307 V308M214-V258 HydrophobicContact CE-CG1 3.91Å; M214-V258 HydrophobicContact CE-CG2 3.87Å; V240-V258 HydrophobicContact CG1-CB 4.37Å; V240-V258 HydrophobicContact CG1-CG1 4.47Å; V240-V258 HydrophobicContact CG1-CG2 4.02Å; V240-V258 HydrophobicContact CG2-CG1 4.46Å; V258-K273 CarbonylContact O-C 3.57Å; V258-K273 WeakPolarHBondContact O-CA 3.26Å; V258-K273 WeakPolarHBondContact O-CB 3.49Å; V258-T274 HydrophobicContact CB-CG2 3.92Å; V258-T274 PolarHBondContact N-OG1 2.85Å; V258-T274 PolarHBondContact O-N 2.86Å; V258-F285 HydrophobicContact CG2-CD2 3.98Å; V258-F285 HydrophobicContact CG2-CE1 4.36Å; V258-F285 HydrophobicContact CG2-CE2 3.56Å; V258-F285 HydrophobicContact CG2-CZ 3.77Å; V258-L306 HydrophobicContact CG1-CB 4.37Å; V258-L306 HydrophobicContact CG1-CD2 3.82Å; V258-T307 CarbonylContact C-O 3.6Å; V258-T307 VanDerWaalsContact CA-O 3.31Å; V258-T307 WeakPolarHBondContact CA-O 3.36Å; V258-V308 HydrophobicContact CG2-CG2 4.22Å
259K95.9Very high87Confident65 Ų6556 Ų5628%0.28329%0.285SS..EExtended strand (participates in β ladder)trans-106.3137.8166.8-56.7177.8-171.81660108.7F257 Q272 K273 L306 T307F257-K259 HydrophobicContact CD2-CG 4.2Å; F257-K259 HydrophobicContact CE2-CD 4.24Å; F257-K259 HydrophobicContact CE2-CG 3.84Å; K259-Q272 CarbonylContact C-O 3.6Å; K259-Q272 WeakPolarHBondContact CA-O 3.31Å; K259-K273 HydrophobicContact CG-CB 4.19Å; K259-L306 WeakPolarHBondContact O-CA 3.36Å; K259-T307 PolarHBondContact N-O 3.46Å; K259-T307 PolarHBondContact O-N 3.19Å; K259-T307 PolarHBondContact O-OG1 3.36Å
260C96.5Very high87.7Confident0 Ų053.3 Ų53.30%027%0.272CS..EExtended strand (participates in β ladder)trans-115141.3173.8-1740000109.4Q272 M289 Y291 E305 L306C260-Q272 PolarHBondContact N-O 2.76Å; C260-Q272 PolarHBondContact O-N 2.96Å; C260-M289 HydrophobicContact CB-CE 4.15Å; C260-M289 HydrophobicContact CB-SD 3.2Å; C260-M289 WeakPolarHBondContact CB-SD 3.45Å; C260-Y291 VanDerWaalsContact C-OH 3.22Å; C260-Y291 HydrophobicContact CB-CE2 4.45Å; C260-Y291 PolarHBondContact O-OH 3.38Å; C260-Y291 PolarHBondContact SG-OH 2.91Å; C260-E305 CarbonylContact C-O 3.46Å; C260-E305 WeakPolarHBondContact CA-O 3.41Å; C260-L306 HydrophobicContact CB-CD2 3.67Å
261T94.5Very high88.8Confident10 Ų1056.8 Ų56.86%0.06129%0.285CS..EExtended strand (participates in β ladder)trans-141.5141.3169.9-49.20000108.2L263 D265 R271 E305T261-L263 HydrophobicContact CG2-CD2 4.38Å; T261-D265 VanDerWaalsContact CG2-O 3.31Å; T261-D265 WeakPolarHBondContact CG2-O 2.96Å; T261-R271 HydrophobicContact CG2-CG 4.12Å; T261-E305 PolarHBondContact N-O 3.28Å; T261-E305 PolarHBondContact O-N 2.71Å
262I94.7Very high90.1Very high15 Ų1558.1 Ų58.18%0.07728%0.281CS..EExtended strand (participates in β ladder)trans-94.7115.1169.2-57.3-58.9000107.8I238 D265 Y291 F294 A302 V304I238-I262 HydrophobicContact CD1-CD1 4.37Å; I262-D265 CarbonylContact O-C 3.49Å; I262-D265 WeakPolarHBondContact O-CA 3.31Å; I262-D265 PolarHBondContact O-N 2.94Å; I262-Y291 HydrophobicContact CB-CD1 4.27Å; I262-Y291 HydrophobicContact CB-CE1 4.33Å; I262-Y291 HydrophobicContact CD1-CD1 4.39Å; I262-Y291 HydrophobicContact CD1-CD2 4.04Å; I262-Y291 HydrophobicContact CD1-CE2 4.19Å; I262-Y291 HydrophobicContact CD1-CG 4.14Å; I262-Y291 HydrophobicContact CG1-CD1 3.33Å; I262-Y291 HydrophobicContact CG1-CD2 3.84Å; I262-Y291 HydrophobicContact CG1-CE1 3.51Å; I262-Y291 HydrophobicContact CG1-CE2 4.02Å; I262-Y291 HydrophobicContact CG1-CG 3.48Å; I262-Y291 VanDerWaalsContact CG1-CG 3.48Å; I262-F294 HydrophobicContact CB-CZ 4.39Å; I262-F294 HydrophobicContact CD1-CZ 4.15Å; I262-F294 HydrophobicContact CG1-CZ 4Å; I262-F294 HydrophobicContact CG2-CE1 3.93Å; I262-F294 HydrophobicContact CG2-CZ 3.61Å; I262-A302 HydrophobicContact CG2-CB 4.2Å; I262-V304 HydrophobicContact CD1-CB 4.27Å; I262-V304 HydrophobicContact CD1-CG2 3.49Å; I262-V304 VanDerWaalsContact CD1-CG2 3.49Å
263L93.6Very high91Very high2 Ų260.7 Ų60.71%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-81.9141.2172.5-58.4176.3000108.9T261 T266 A302 C303 E305 W338 A372T261-L263 HydrophobicContact CG2-CD2 4.38Å; L263-T266 HydrophobicContact CD2-CG2 3.72Å; L263-A302 VanDerWaalsContact O-CA 3.31Å; L263-A302 WeakPolarHBondContact O-CA 3.38Å; L263-C303 HydrophobicContact CB-CB 4.33Å; L263-C303 PolarHBondContact N-O 3.31Å; L263-C303 PolarHBondContact O-N 2.87Å; L263-C303 VanDerWaalsContact O-N 3.09Å; L263-E305 HydrophobicContact CD1-CB 4.11Å; L263-E305 HydrophobicContact CG-CB 4.33Å; L263-W338 HydrophobicContact CB-CD2 4.03Å; L263-W338 HydrophobicContact CB-CE3 3.76Å; L263-W338 HydrophobicContact CB-CH2 4.13Å; L263-W338 HydrophobicContact CB-CZ2 4.43Å; L263-W338 HydrophobicContact CB-CZ3 3.83Å; L263-W338 HydrophobicContact CD1-CB 3.64Å; L263-W338 HydrophobicContact CD1-CD2 3.8Å; L263-W338 HydrophobicContact CD1-CE3 3.86Å; L263-W338 HydrophobicContact CD1-CG 3.73Å; L263-W338 HydrophobicContact CG-CE3 4.47Å; L263-A372 HydrophobicContact CD1-CB 4.36Å
264P91.8Very high91.8Very high62 Ų6256.1 Ų56.140%0.40326%0.261SS..SBendcis-85.4-2.312.933.2-36.7000116.2T266 Y332 W338P264-T266 PolarHBondContact O-N 3.19Å; P264-Y332 HydrophobicContact CG-CD2 4.28Å; P264-Y332 HydrophobicContact CG-CE2 3.89Å; P264-W338 HydrophobicContact CB-CH2 4.16Å; P264-W338 HydrophobicContact CB-CZ2 3.88Å
265D89.4Confident92.1Very high78 Ų7866.4 Ų66.442%0.41730%0.3SS..  trans-72.589.2-179.3-174.56.3000112.9T261 I262 S267 S270T261-D265 VanDerWaalsContact CG2-O 3.31Å; T261-D265 WeakPolarHBondContact CG2-O 2.96Å; I262-D265 CarbonylContact O-C 3.49Å; I262-D265 WeakPolarHBondContact O-CA 3.31Å; I262-D265 PolarHBondContact O-N 2.94Å; D265-S267 VanDerWaalsContact C-N 3.25Å; D265-S267 PolarHBondContact O-N 3.24Å; D265-S267 WeakPolarHBondContact OD1-CA 3.5Å; D265-S267 WeakPolarHBondContact OD1-CB 3.16Å; D265-S267 PolarHBondContact OD1-N 3.03Å; D265-S267 PolarHBondContact OD1-OG 3.23Å; D265-S267 PolarHBondContact OD2-OG 2.86Å; D265-S270 PolarHBondContact O-OG 2.71Å; D265-S270 VanDerWaalsContact OD2-CB 3.27Å; D265-S270 WeakPolarHBondContact OD2-CB 3.48Å
266T82.8Confident92.2Very high38 Ų3866.6 Ų66.623%0.23331%0.31CS..  trans-83.25.5176.556.70000114L263 P264 R271 L374L263-T266 HydrophobicContact CD2-CG2 3.72Å; P264-T266 PolarHBondContact O-N 3.19Å; T266-R271 PolarHBondContact O-NE 3.39Å; T266-R271 PolarHBondContact O-NH2 2.96Å; T266-L374 WeakPolarHBondContact OG1-CD2 3.3Å
267S83.6Confident92.3Very high45 Ų4568.4 Ų68.432%0.31532%0.321SS..  trans-57.3153.2-178.178.40000111.4D265 K269 S270 R271D265-S267 VanDerWaalsContact C-N 3.25Å; D265-S267 PolarHBondContact O-N 3.24Å; D265-S267 WeakPolarHBondContact OD1-CA 3.5Å; D265-S267 WeakPolarHBondContact OD1-CB 3.16Å; D265-S267 PolarHBondContact OD1-N 3.03Å; D265-S267 PolarHBondContact OD1-OG 3.23Å; D265-S267 PolarHBondContact OD2-OG 2.86Å; S267-K269 PolarHBondContact O-N 3.34Å; S267-S270 PolarHBondContact O-OG 3.07Å; S267-S270 PolarHBondContact OG-N 3.32Å; S267-S270 PolarHBondContact OG-OG 2.88Å; S267-R271 WeakPolarHBondContact O-CG 3.14Å
268R81.5Confident91.9Very high227 Ų22769.3 Ų69.386%0.85734%0.335SS*.THydrogen-bonded Turntrans-68.1-21.4176.7-74.1-171179.7141.10.6112.9
269K83.2Confident91.6Very high206 Ų20677.3 Ų77.390%0.89637%0.37SS*.THydrogen-bonded Turntrans-80.1-30.3-175.8-66.2-175.3179.3-178.10111.9S267S267-K269 PolarHBondContact O-N 3.34Å
270S86.4Confident91.5Very high15 Ų1576.3 Ų76.311%0.10537%0.369CS..THydrogen-bonded Turntrans-72.9-29.317763.50000112.8D265 S267 Q272 Y291D265-S270 PolarHBondContact O-OG 2.71Å; D265-S270 VanDerWaalsContact OD2-CB 3.27Å; D265-S270 WeakPolarHBondContact OD2-CB 3.48Å; S267-S270 PolarHBondContact O-OG 3.07Å; S267-S270 PolarHBondContact OG-N 3.32Å; S267-S270 PolarHBondContact OG-OG 2.88Å; S270-Q272 PolarHBondContact O-N 3.49Å; S270-Y291 WeakPolarHBondContact O-CE1 3.46Å; S270-Y291 PolarHBondContact O-OH 3.02Å
271R92.8Very high91.3Very high127 Ų12778.4 Ų78.448%0.47938%0.382SS..  trans-66.8124.8-172.1-61178.1-166.9-152.3-3.6112.8T261 T266 S267T261-R271 HydrophobicContact CG2-CG 4.12Å; T266-R271 PolarHBondContact O-NE 3.39Å; T266-R271 PolarHBondContact O-NH2 2.96Å; S267-R271 WeakPolarHBondContact O-CG 3.14Å
272Q96.6Very high91.4Very high63 Ų6380.8 Ų80.829%0.29439%0.394SS..EExtended strand (participates in β ladder)trans-110.6160.1172.5-61.9-173.648.900110.9K259 C260 S270 M289 V290 Y291K259-Q272 CarbonylContact C-O 3.6Å; K259-Q272 WeakPolarHBondContact CA-O 3.31Å; C260-Q272 PolarHBondContact N-O 2.76Å; C260-Q272 PolarHBondContact O-N 2.96Å; S270-Q272 PolarHBondContact O-N 3.49Å; Q272-M289 HydrophobicContact CB-CB 4.3Å; Q272-M289 HydrophobicContact CB-CG 4.08Å; Q272-M289 HydrophobicContact CB-SD 3.64Å; Q272-V290 PolarHBondContact NE2-O 3.21Å; Q272-Y291 HydrophobicContact CG-CE2 4.49Å
273K95.9Very high91.6Very high140 Ų14080 Ų8061%0.60939%0.39SS*.EExtended strand (participates in β ladder)trans-150.3150.5177.267.9176.9-176.7176.10112.3V258 K259V258-K273 CarbonylContact O-C 3.57Å; V258-K273 WeakPolarHBondContact O-CA 3.26Å; V258-K273 WeakPolarHBondContact O-CB 3.49Å; K259-K273 HydrophobicContact CG-CB 4.19Å
274T97.6Very high91.8Very high8 Ų883.3 Ų83.35%0.04941%0.41CS..PPolyproline II helixtrans-74.3167.1171.468.40000111.5V258 F285 H287 M289V258-T274 HydrophobicContact CB-CG2 3.92Å; V258-T274 PolarHBondContact N-OG1 2.85Å; V258-T274 PolarHBondContact O-N 2.86Å; T274-F285 HydrophobicContact CG2-CB 4.22Å; T274-F285 HydrophobicContact CG2-CD1 4.2Å; T274-F285 HydrophobicContact CG2-CG 4.25Å; T274-F285 WeakPolarHBondContact OG1-CD1 3.46Å; T274-H287 HydrophobicContact CG2-CB 3.82Å; T274-M289 HydrophobicContact CG2-CE 3.38Å
275R96.1Very high92.1Very high217 Ų21781.5 Ų81.582%0.81940%0.396SS*.PPolyproline II helixtrans-67.1150.3160.9-66.6-177.1177.2-177.1-0109.5
276A94.9Very high92.5Very high64 Ų6482.4 Ų82.453%0.52940%0.401SS..PPolyproline II helixtrans-72.7134172.800000110.8S256 F257S256-A276 CarbonylContact O-C 3.46Å; S256-A276 VanDerWaalsContact O-CA 3.3Å; S256-A276 WeakPolarHBondContact O-CA 3.48Å; F257-A276 HydrophobicContact CB-CB 4.18Å
277V95.8Very high93.2Very high38 Ų3883.7 Ų83.723%0.2340%0.404CS..EExtended strand (participates in β ladder)trans-111.9116.7175.7179.50000107.4N255 S256 T280 P283 F285N255-V277 CarbonylContact C-O 3.52Å; S256-V277 PolarHBondContact N-O 3.21Å; S256-V277 PolarHBondContact O-N 3.37Å; V277-T280 HydrophobicContact CG1-CG2 4.11Å; V277-P283 HydrophobicContact CB-CB 3.79Å; V277-P283 HydrophobicContact CG1-CB 3.77Å; V277-F285 HydrophobicContact CB-CD1 4.44Å; V277-F285 HydrophobicContact CB-CE1 4.12Å; V277-F285 HydrophobicContact CG2-CD1 3.65Å; V277-F285 HydrophobicContact CG2-CE1 3.82Å
278G90.1Very high93.9Very high35 Ų3584.5 Ų84.536%0.36141%0.407SS..EExtended strand (participates in β ladder)trans-94.5160.5-171.500000114.7L254 N255 T280L254-G278 CarbonylContact O-C 3.58Å; L254-G278 WeakPolarHBondContact O-CA 3.2Å; N255-G278 WeakPolarHBondContact OD1-CA 3.21Å; G278-T280 PolarHBondContact O-N 3.26Å
279K89.4Confident94.7Very high169 Ų16973.7 Ų73.774%0.73537%0.367SS*.SBendtrans6331165.6-53.8177.9-177.6177.70115.6L254L254-K279 PolarHBondContact O-N 3.38Å
280T93.8Very high95.3Very high43 Ų4366.6 Ų66.626%0.26434%0.34SS..  trans-152.1148.2178.9-177.50000112.2V277 G278 N282 P283V277-T280 HydrophobicContact CG1-CG2 4.11Å; G278-T280 PolarHBondContact O-N 3.26Å; T280-N282 VanDerWaalsContact C-N 3.32Å; T280-N282 PolarHBondContact OG1-N 2.87Å; T280-N282 PolarHBondContact OG1-O 2.78Å; T280-P283 HydrophobicContact CG2-CB 4.03Å
281T93.8Very high95.8Very high44 Ų4466.7 Ų66.727%0.2734%0.338SS..SBendtrans-83-13.2165.948.60000112.9L246 L248 L254 P283L246-T281 WeakPolarHBondContact CB-O 3.47Å; L246-T281 WeakPolarHBondContact CG-O 3.33Å; L246-T281 PolarHBondContact N-O 2.84Å; L246-T281 WeakPolarHBondContact O-CG2 3.27Å; L248-T281 HydrophobicContact CD1-CG2 3.13Å; L254-T281 HydrophobicContact CD1-CG2 4.3Å; T281-P283 VanDerWaalsContact O-CD 3.23Å; T281-P283 WeakPolarHBondContact O-CD 3.39Å
282N96.6Very high95.7Very high60 Ų6066.7 Ų66.732%0.32135%0.348SS..SBendtrans-118.366-178.4-59.9-66.3000110C243 L244 D245 T280 V284C243-N282 CarbonylContact O-C 3.47Å; C243-N282 WeakPolarHBondContact O-CA 3.09Å; L244-N282 VanDerWaalsContact CA-OD1 3.28Å; L244-N282 WeakPolarHBondContact CA-OD1 3.08Å; D245-N282 PolarHBondContact N-OD1 3.05Å; T280-N282 VanDerWaalsContact C-N 3.32Å; T280-N282 PolarHBondContact OG1-N 2.87Å; T280-N282 PolarHBondContact OG1-O 2.78Å; N282-V284 PolarHBondContact O-N 2.89Å
283P97.2Very high95.5Very high0 Ų065.5 Ų65.50%035%0.353CS..  trans-72.3128.4-176.830.1-35.7000111.4E242 C243 L246 V277 T280 T281 F285E242-P283 CarbonylContact C-O 3.59Å; E242-P283 WeakPolarHBondContact CA-O 3.45Å; E242-P283 WeakPolarHBondContact CB-O 3.48Å; C243-P283 HydrophobicContact CB-CG 3.96Å; C243-P283 PolarHBondContact N-O 2.96Å; C243-P283 WeakPolarHBondContact O-CD 3.2Å; L246-P283 HydrophobicContact CD1-CG 3.55Å; V277-P283 HydrophobicContact CB-CB 3.79Å; V277-P283 HydrophobicContact CG1-CB 3.77Å; T280-P283 HydrophobicContact CG2-CB 4.03Å; T281-P283 VanDerWaalsContact O-CD 3.23Å; T281-P283 WeakPolarHBondContact O-CD 3.39Å; P283-F285 HydrophobicContact CB-CE1 4.2Å; P283-F285 HydrophobicContact CB-CE2 3.97Å; P283-F285 HydrophobicContact CB-CZ 3.71Å; P283-F285 HydrophobicContact CG-CE2 3.69Å; P283-F285 HydrophobicContact CG-CZ 3.64Å
284V98.2Very high95.3Very high71 Ų7159.4 Ų59.443%0.4333%0.326SS..EExtended strand (participates in β ladder)trans-95.6112.9170.1-177.30000108.8K241 E242 N282 N286K241-V284 CarbonylContact O-C 3.36Å; E242-V284 HydrophobicContact CB-CB 4.46Å; E242-V284 HydrophobicContact CB-CG2 4.14Å; N282-V284 PolarHBondContact O-N 2.89Å; V284-N286 WeakPolarHBondContact CG1-ND2 3.41Å
285F98Very high95Very high23 Ų2365.5 Ų65.510%0.10135%0.348CS..EExtended strand (participates in β ladder)trans-91.4-44.1-178.8-62.9-70.6000112.7V240 K241 S256 V258 T274 V277 P283 H287V240-F285 HydrophobicContact CG1-CB 4.25Å; V240-F285 HydrophobicContact CG1-CD2 3.88Å; V240-F285 HydrophobicContact CG1-CG 4.32Å; K241-F285 PolarHBondContact O-N 3.25Å; S256-F285 WeakPolarHBondContact O-CE1 3.32Å; V258-F285 HydrophobicContact CG2-CD2 3.98Å; V258-F285 HydrophobicContact CG2-CE1 4.36Å; V258-F285 HydrophobicContact CG2-CE2 3.56Å; V258-F285 HydrophobicContact CG2-CZ 3.77Å; T274-F285 HydrophobicContact CG2-CB 4.22Å; T274-F285 HydrophobicContact CG2-CD1 4.2Å; T274-F285 HydrophobicContact CG2-CG 4.25Å; T274-F285 WeakPolarHBondContact OG1-CD1 3.46Å; V277-F285 HydrophobicContact CB-CD1 4.44Å; V277-F285 HydrophobicContact CB-CE1 4.12Å; V277-F285 HydrophobicContact CG2-CD1 3.65Å; V277-F285 HydrophobicContact CG2-CE1 3.82Å; P283-F285 HydrophobicContact CB-CE1 4.2Å; P283-F285 HydrophobicContact CB-CE2 3.97Å; P283-F285 HydrophobicContact CB-CZ 3.71Å; P283-F285 HydrophobicContact CG-CE2 3.69Å; P283-F285 HydrophobicContact CG-CZ 3.64Å; F285-H287 VanDerWaalsContact C-N 3.29Å; F285-H287 HydrophobicContact CB-CB 4.47Å; F285-H287 PolarHBondContact O-N 2.95Å
286N97.5Very high94.5Very high98 Ų9858.5 Ų58.552%0.52433%0.331SS..EExtended strand (participates in β ladder)trans40.156.3-172.8-77.2-29.9000113V240 K241 V284V240-N286 WeakPolarHBondContact O-CA 3.28Å; V240-N286 PolarHBondContact O-N 3.36Å; K241-N286 PolarHBondContact O-N 3.37Å; V284-N286 WeakPolarHBondContact CG1-ND2 3.41Å
287H98.1Very high94.3Very high65 Ų6560.3 Ų60.330%0.30133%0.328SS..EExtended strand (participates in β ladder)trans-125.4123.9-173.8-172.576.9000110.9V240 T274 F285V240-H287 PolarHBondContact N-O 3.16Å; V240-H287 PolarHBondContact O-N 2.77Å; T274-H287 HydrophobicContact CG2-CB 3.82Å; F285-H287 VanDerWaalsContact C-N 3.29Å; F285-H287 HydrophobicContact CB-CB 4.47Å; F285-H287 PolarHBondContact O-N 2.95Å
288T98.1Very high94.2Very high62 Ų6259.9 Ų59.938%0.3833%0.325SS..EExtended strand (participates in β ladder)trans-97125.9176.2-52.50000110I238 V290 W359I238-T288 CarbonylContact O-C 3.35Å; I238-T288 WeakPolarHBondContact O-CA 3.37Å; T288-V290 HydrophobicContact CG2-CG2 4.14Å; T288-W359 HydrophobicContact CG2-CH2 4.07Å
289M97.9Very high94.4Very high0 Ų058.5 Ų58.50%031%0.309CS..EExtended strand (participates in β ladder)trans-108.8133171.8-57.1-179.7-145.900107.9I238 V240 C260 Q272 T274 Y291I238-M289 PolarHBondContact N-O 3.35Å; I238-M289 PolarHBondContact O-N 3.37Å; V240-M289 HydrophobicContact CG2-CE 4.01Å; C260-M289 HydrophobicContact CB-CE 4.15Å; C260-M289 HydrophobicContact CB-SD 3.2Å; C260-M289 WeakPolarHBondContact CB-SD 3.45Å; Q272-M289 HydrophobicContact CB-CB 4.3Å; Q272-M289 HydrophobicContact CB-CG 4.08Å; Q272-M289 HydrophobicContact CB-SD 3.64Å; T274-M289 HydrophobicContact CG2-CE 3.38Å; M289-Y291 HydrophobicContact CB-CE2 4.23Å
290V96.9Very high94.6Very high56 Ų5654.8 Ų54.834%0.33930%0.295SS..EExtended strand (participates in β ladder)trans-119.9132.6-176.2-176.30000108.9E235 Q272 T288E235-V290 HydrophobicContact CB-CG1 4.17Å; E235-V290 HydrophobicContact CG-CG1 4.45Å; Q272-V290 PolarHBondContact NE2-O 3.21Å; T288-V290 HydrophobicContact CG2-CG2 4.14Å
291Y95.5Very high94.6Very high18 Ų1855.3 Ų55.37%0.07130%0.295CS..EExtended strand (participates in β ladder)trans-122.7127.8175.4-69.2-100.9000108.8E235 V236 I238 C260 I262 S270 Q272 M289E235-Y291 CarbonylContact C-O 3.5Å; E235-Y291 VanDerWaalsContact CA-O 3.27Å; E235-Y291 WeakPolarHBondContact CA-O 3.45Å; V236-Y291 PolarHBondContact N-O 2.74Å; V236-Y291 PolarHBondContact O-N 3.04Å; I238-Y291 HydrophobicContact CD1-CD2 3.5Å; I238-Y291 HydrophobicContact CD1-CE2 3.86Å; C260-Y291 VanDerWaalsContact C-OH 3.22Å; C260-Y291 HydrophobicContact CB-CE2 4.45Å; C260-Y291 PolarHBondContact O-OH 3.38Å; C260-Y291 PolarHBondContact SG-OH 2.91Å; I262-Y291 HydrophobicContact CB-CD1 4.27Å; I262-Y291 HydrophobicContact CB-CE1 4.33Å; I262-Y291 HydrophobicContact CD1-CD1 4.39Å; I262-Y291 HydrophobicContact CD1-CD2 4.04Å; I262-Y291 HydrophobicContact CD1-CE2 4.19Å; I262-Y291 HydrophobicContact CD1-CG 4.14Å; I262-Y291 HydrophobicContact CG1-CD1 3.33Å; I262-Y291 HydrophobicContact CG1-CD2 3.84Å; I262-Y291 HydrophobicContact CG1-CE1 3.51Å; I262-Y291 HydrophobicContact CG1-CE2 4.02Å; I262-Y291 HydrophobicContact CG1-CG 3.48Å; I262-Y291 VanDerWaalsContact CG1-CG 3.48Å; S270-Y291 WeakPolarHBondContact O-CE1 3.46Å; S270-Y291 PolarHBondContact O-OH 3.02Å; Q272-Y291 HydrophobicContact CG-CE2 4.49Å; M289-Y291 HydrophobicContact CB-CE2 4.23Å
292D92.8Very high94.7Very high126 Ų12653.4 Ų53.467%0.67428%0.283SS*.EExtended strand (participates in β ladder)trans-98.9173.7-17856.829.7000112E235 F294E235-D292 HydrophobicContact CG-CB 4.36Å; D292-F294 PolarHBondContact O-N 3.21Å
293G91.1Very high94.7Very high39 Ų3950.5 Ų50.540%0.40227%0.268SS..EExtended strand (participates in β ladder)trans81.910.1169.100000116.1G234 R295G234-G293 PolarHBondContact O-N 3.38Å; G293-R295 PolarHBondContact O-N 2.82Å
294F92.4Very high94.7Very high12 Ų1250.5 Ų50.55%0.05327%0.268CS..EExtended strand (participates in β ladder)trans-72.4121.2177.1-75-97.4000110.9Y220 T233 G234 V236 I262 D292 D298 L299 A302Y220-F294 HydrophobicContact CE2-CB 4.21Å; T233-F294 CarbonylContact C-O 3.28Å; T233-F294 VanDerWaalsContact C-O 3.28Å; T233-F294 WeakPolarHBondContact CA-O 3.49Å; G234-F294 PolarHBondContact N-O 2.83Å; G234-F294 PolarHBondContact O-N 3.25Å; V236-F294 HydrophobicContact CB-CD2 4.13Å; V236-F294 HydrophobicContact CB-CE2 3.73Å; V236-F294 HydrophobicContact CB-CZ 4.01Å; V236-F294 HydrophobicContact CG2-CD1 3.96Å; V236-F294 HydrophobicContact CG2-CD2 3.63Å; V236-F294 HydrophobicContact CG2-CE1 3.94Å; V236-F294 HydrophobicContact CG2-CE2 3.61Å; V236-F294 HydrophobicContact CG2-CG 3.79Å; V236-F294 HydrophobicContact CG2-CZ 3.75Å; I262-F294 HydrophobicContact CB-CZ 4.39Å; I262-F294 HydrophobicContact CD1-CZ 4.15Å; I262-F294 HydrophobicContact CG1-CZ 4Å; I262-F294 HydrophobicContact CG2-CE1 3.93Å; I262-F294 HydrophobicContact CG2-CZ 3.61Å; D292-F294 PolarHBondContact O-N 3.21Å; F294-D298 HydrophobicContact CD1-CB 4.27Å; F294-L299 HydrophobicContact CB-CD2 4.36Å; F294-L299 HydrophobicContact CD1-CD2 3.95Å; F294-L299 HydrophobicContact CG-CD2 4.37Å; F294-A302 HydrophobicContact CE1-CB 3.85Å
295R90.2Very high94.6Very high136 Ų13648.3 Ų48.351%0.51325%0.253SS..  trans-79.5157.8163.5-53.4-179.2-178.7-173.50109.8T233 G293 E297 D298 L299T233-R295 HydrophobicContact CG2-CG 4.26Å; G293-R295 PolarHBondContact O-N 2.82Å; R295-E297 HydrophobicContact CB-CG 3.98Å; R295-E297 WeakPolarHBondContact CB-OE2 3.35Å; R295-E297 WeakPolarHBondContact CD-OE1 3.43Å; R295-E297 IonicContact NH1-OE1 3.84Å; R295-E297 PolarHBondContact O-N 3.48Å; R295-D298 VanDerWaalsContact CB-OD2 3.23Å; R295-D298 WeakPolarHBondContact CB-OD2 3.39Å; R295-D298 VanDerWaalsContact CG-OD2 3.31Å; R295-D298 WeakPolarHBondContact CG-OD2 3.28Å; R295-D298 PolarHBondContact N-OD2 3.34Å; R295-D298 WeakPolarHBondContact O-CB 3.12Å; R295-D298 PolarHBondContact O-N 2.79Å; R295-L299 PolarHBondContact O-N 3.21Å
296P86.4Confident94.5Very high69 Ų6947.2 Ų47.245%0.44825%0.248SC..THydrogen-bonded Turntrans-52.6-38.2175.1-27.636.1000113.3D298 L299P296-D298 VanDerWaalsContact C-N 3.35Å; P296-L299 PolarHBondContact O-N 3.42Å
297E90.7Very high94.4Very high102 Ų10243.1 Ų43.148%0.47723%0.227SC..THydrogen-bonded Turntrans-66.3-32.5175.159.7-91.2-15100113.5R295 L299 M300R295-E297 HydrophobicContact CB-CG 3.98Å; R295-E297 WeakPolarHBondContact CB-OE2 3.35Å; R295-E297 WeakPolarHBondContact CD-OE1 3.43Å; R295-E297 IonicContact NH1-OE1 3.84Å; R295-E297 PolarHBondContact O-N 3.48Å; E297-L299 VanDerWaalsContact C-N 3.26Å; E297-L299 PolarHBondContact O-N 2.94Å; E297-M300 PolarHBondContact O-N 3.49Å
298D93.3Very high94.3Very high30 Ų3040 Ų4016%0.1621%0.213CC..Hα-helixtrans-68.9-27.3-179.2-61.7-39.1000111.4F294 R295 P296 M300 E301 A302 Y332F294-D298 HydrophobicContact CD1-CB 4.27Å; R295-D298 VanDerWaalsContact CB-OD2 3.23Å; R295-D298 WeakPolarHBondContact CB-OD2 3.39Å; R295-D298 VanDerWaalsContact CG-OD2 3.31Å; R295-D298 WeakPolarHBondContact CG-OD2 3.28Å; R295-D298 PolarHBondContact N-OD2 3.34Å; R295-D298 WeakPolarHBondContact O-CB 3.12Å; R295-D298 PolarHBondContact O-N 2.79Å; P296-D298 VanDerWaalsContact C-N 3.35Å; D298-M300 PolarHBondContact O-N 2.98Å; D298-E301 PolarHBondContact O-N 3.4Å; D298-A302 WeakPolarHBondContact O-CB 3.49Å; D298-A302 PolarHBondContact O-N 3.4Å; D298-Y332 PolarHBondContact OD1-OH 3.44Å
299L94.2Very high94Very high6 Ų639.5 Ų39.53%0.03120%0.204CC..Hα-helixtrans-61.6-28.2175.9-64.6175.1000112.7Y220 V236 F294 R295 P296 E297 F326 W349 M352 V353Y220-L299 HydrophobicContact CD1-CD1 3.85Å; Y220-L299 HydrophobicContact CD2-CD1 4.11Å; Y220-L299 HydrophobicContact CD2-CD2 3.95Å; Y220-L299 HydrophobicContact CE1-CD1 3.68Å; Y220-L299 HydrophobicContact CE2-CD1 3.96Å; Y220-L299 HydrophobicContact CE2-CD2 4.09Å; Y220-L299 HydrophobicContact CE2-CG 4.39Å; Y220-L299 HydrophobicContact CG-CD1 4.06Å; Y220-L299 HydrophobicContact CG-CD2 4.45Å; V236-L299 HydrophobicContact CG2-CD2 3.84Å; F294-L299 HydrophobicContact CB-CD2 4.36Å; F294-L299 HydrophobicContact CD1-CD2 3.95Å; F294-L299 HydrophobicContact CG-CD2 4.37Å; R295-L299 PolarHBondContact O-N 3.21Å; P296-L299 PolarHBondContact O-N 3.42Å; E297-L299 VanDerWaalsContact C-N 3.26Å; E297-L299 PolarHBondContact O-N 2.94Å; L299-F326 WeakPolarHBondContact O-CD2 3.43Å; L299-F326 VanDerWaalsContact O-CE2 3.26Å; L299-F326 WeakPolarHBondContact O-CE2 3.36Å; L299-W349 HydrophobicContact CD2-CZ2 4.42Å; L299-W349 PolarHBondContact O-NE1 3.46Å; L299-M352 HydrophobicContact CD2-CE 4.43Å; L299-V353 HydrophobicContact CB-CG2 4.21Å; L299-V353 HydrophobicContact CD1-CG1 4.38Å; L299-V353 HydrophobicContact CD1-CG2 4.34Å
300M93.9Very high93.7Very high90 Ų9039.5 Ų39.544%0.44320%0.204SC..Hα-helixtrans-78.4-24.2177.4-58.3-57-56.600112.4E297 D298 F326E297-M300 PolarHBondContact O-N 3.49Å; D298-M300 PolarHBondContact O-N 2.98Å; M300-F326 HydrophobicContact CE-CD1 4.08Å; M300-F326 HydrophobicContact CE-CD2 3.98Å; M300-F326 HydrophobicContact CE-CE1 3.76Å; M300-F326 HydrophobicContact CE-CE2 3.69Å; M300-F326 HydrophobicContact CE-CG 4.18Å; M300-F326 HydrophobicContact CE-CZ 3.57Å; M300-F326 HydrophobicContact CG-CE2 4.48Å; M300-F326 HydrophobicContact SD-CD2 4.1Å; M300-F326 HydrophobicContact SD-CE1 4.19Å; M300-F326 HydrophobicContact SD-CE2 3.33Å; M300-F326 WeakPolarHBondContact SD-CE2 3.4Å; M300-F326 HydrophobicContact SD-CZ 3.38Å; M300-F326 WeakPolarHBondContact SD-CZ 3.25Å
301E94.7Very high93.2Very high55 Ų5541.2 Ų41.226%0.25721%0.208SC..Hα-helixtrans-109.3-14.6-169.3-59-67.5178.800113.1D298 S331 Y332D298-E301 PolarHBondContact O-N 3.4Å; E301-S331 PolarHBondContact O-OG 2.79Å; E301-S331 VanDerWaalsContact OE2-CA 3.24Å; E301-S331 WeakPolarHBondContact OE2-CA 3.35Å; E301-Y332 HydrophobicContact CB-CD1 4.28Å; E301-Y332 HydrophobicContact CB-CD2 3.94Å; E301-Y332 HydrophobicContact CB-CE1 3.95Å; E301-Y332 HydrophobicContact CB-CE2 3.57Å; E301-Y332 HydrophobicContact CB-CG 4.29Å; E301-Y332 HydrophobicContact CG-CD1 4.08Å; E301-Y332 HydrophobicContact CG-CE1 3.97Å; E301-Y332 HydrophobicContact CG-CE2 4.4Å; E301-Y332 HydrophobicContact CG-CG 4.37Å; E301-Y332 PolarHBondContact OE2-N 3.38Å
302A95.3Very high92.2Very high3 Ų343.6 Ų43.63%0.02522%0.217CC..  trans-95.1156.3-17700000113.3I262 L263 F294 D298 M339I262-A302 HydrophobicContact CG2-CB 4.2Å; L263-A302 VanDerWaalsContact O-CA 3.31Å; L263-A302 WeakPolarHBondContact O-CA 3.38Å; F294-A302 HydrophobicContact CE1-CB 3.85Å; D298-A302 WeakPolarHBondContact O-CB 3.49Å; D298-A302 PolarHBondContact O-N 3.4Å; A302-M339 WeakPolarHBondContact O-CE 3.42Å
303C95.8Very high91.4Very high0 Ų045.2 Ų45.20%022%0.218CC..EExtended strand (participates in β ladder)trans-139.9131.2176.5-176.20000111.1L263 E305 W338 M339L263-C303 HydrophobicContact CB-CB 4.33Å; L263-C303 PolarHBondContact N-O 3.31Å; L263-C303 PolarHBondContact O-N 2.87Å; L263-C303 VanDerWaalsContact O-N 3.09Å; C303-E305 PolarHBondContact O-N 2.83Å; C303-W338 HydrophobicContact CB-CE3 3.98Å; C303-W338 HydrophobicContact CB-CZ3 3.88Å; C303-M339 HydrophobicContact CB-SD 3.72Å
304V97Very high90.7Very high0 Ų051.3 Ų51.30%024%0.241CC..EExtended strand (participates in β ladder)trans-80.6113.4171.1173.20000109.1I238 I262 L306 R323 I324 W349I238-V304 HydrophobicContact CD1-CG2 4.48Å; I238-V304 HydrophobicContact CG1-CG1 4.28Å; I238-V304 HydrophobicContact CG1-CG2 4.2Å; I262-V304 HydrophobicContact CD1-CB 4.27Å; I262-V304 HydrophobicContact CD1-CG2 3.49Å; I262-V304 VanDerWaalsContact CD1-CG2 3.49Å; V304-L306 HydrophobicContact CG1-CD1 4.05Å; V304-L306 HydrophobicContact CG1-CG 3.86Å; V304-R323 CarbonylContact O-C 3.44Å; V304-R323 VanDerWaalsContact O-CA 3.3Å; V304-R323 WeakPolarHBondContact O-CA 3.38Å; V304-I324 HydrophobicContact CB-CB 4.32Å; V304-I324 PolarHBondContact N-O 2.9Å; V304-I324 PolarHBondContact O-N 2.81Å; V304-W349 HydrophobicContact CB-CZ3 4.32Å; V304-W349 HydrophobicContact CG2-CE3 4.43Å; V304-W349 HydrophobicContact CG2-CH2 3.83Å; V304-W349 HydrophobicContact CG2-CZ3 3.41Å; V304-W349 VanDerWaalsContact CG2-CZ3 3.41Å
305E96.3Very high89.8Confident24 Ų2454 Ų5411%0.11226%0.258CS..EExtended strand (participates in β ladder)trans-97.1115.7170.2-173178.787.300110.4C260 T261 L263 C303 T307 R323 L369C260-E305 CarbonylContact C-O 3.46Å; C260-E305 WeakPolarHBondContact CA-O 3.41Å; T261-E305 PolarHBondContact N-O 3.28Å; T261-E305 PolarHBondContact O-N 2.71Å; L263-E305 HydrophobicContact CD1-CB 4.11Å; L263-E305 HydrophobicContact CG-CB 4.33Å; C303-E305 PolarHBondContact O-N 2.83Å; E305-T307 HydrophobicContact CG-CG2 4.14Å; E305-R323 HydrophobicContact CB-CG 4.28Å; E305-R323 HydrophobicContact CG-CG 4.04Å; E305-R323 IonicContact OE2-CZ 3.51Å; E305-R323 IonicContact OE2-NE 3.68Å; E305-R323 PolarHBondContact OE2-NE 2.93Å; E305-R323 IonicContact OE2-NH2 3.78Å; E305-R323 PolarHBondContact OE2-NH2 3.39Å; E305-L369 HydrophobicContact CG-CD1 3.95Å
306L97.1Very high89.5Confident0 Ų050.8 Ų50.80%025%0.251CS..EExtended strand (participates in β ladder)trans-110.5123.8175.2-72.1163000109.8M214 L216 I238 V240 V258 K259 C260 V304 G321 L322 I324M214-L306 HydrophobicContact CE-CB 4.44Å; M214-L306 HydrophobicContact SD-CB 4.3Å; M214-L306 HydrophobicContact SD-CD1 3.97Å; L216-L306 HydrophobicContact CD1-CD1 3.72Å; I238-L306 HydrophobicContact CG2-CD1 4.15Å; I238-L306 HydrophobicContact CG2-CD2 4.29Å; V240-L306 HydrophobicContact CG2-CD2 3.93Å; V258-L306 HydrophobicContact CG1-CB 4.37Å; V258-L306 HydrophobicContact CG1-CD2 3.82Å; K259-L306 WeakPolarHBondContact O-CA 3.36Å; C260-L306 HydrophobicContact CB-CD2 3.67Å; V304-L306 HydrophobicContact CG1-CD1 4.05Å; V304-L306 HydrophobicContact CG1-CG 3.86Å; L306-G321 CarbonylContact O-C 3.46Å; L306-G321 WeakPolarHBondContact O-CA 3.23Å; L306-L322 HydrophobicContact CB-CB 4.47Å; L306-L322 PolarHBondContact N-O 2.71Å; L306-L322 PolarHBondContact O-N 2.94Å; L306-I324 HydrophobicContact CD1-CD1 4.12Å
307T94.9Very high89.3Confident13 Ų1348.1 Ų48.18%0.0823%0.233CC..EExtended strand (participates in β ladder)trans-125.2128.3-17953.50000111.5V258 K259 E305 W309 F318 L369V258-T307 CarbonylContact C-O 3.6Å; V258-T307 VanDerWaalsContact CA-O 3.31Å; V258-T307 WeakPolarHBondContact CA-O 3.36Å; K259-T307 PolarHBondContact N-O 3.46Å; K259-T307 PolarHBondContact O-N 3.19Å; K259-T307 PolarHBondContact O-OG1 3.36Å; E305-T307 HydrophobicContact CG-CG2 4.14Å; T307-W309 VanDerWaalsContact CB-NE1 3.29Å; T307-W309 VanDerWaalsContact O-CD1 3.23Å; T307-W309 PolarHBondContact OG1-NE1 3.16Å; T307-F318 HydrophobicContact CG2-CE2 3.77Å; T307-L369 HydrophobicContact CG2-CD1 3.97Å
308V95.3Very high89.2Confident0 Ų044.2 Ų44.20%021%0.214CC..EExtended strand (participates in β ladder)trans-95.6130.5178.4-166.70000109.7M214 L246 V258 L319 G320 L366M214-V308 HydrophobicContact CE-CG2 3.39Å; L246-V308 HydrophobicContact CD1-CG1 3.96Å; L246-V308 HydrophobicContact CD2-CG1 4.16Å; V258-V308 HydrophobicContact CG2-CG2 4.22Å; V308-L319 HydrophobicContact CB-CB 4.32Å; V308-L319 HydrophobicContact CG1-CB 4.35Å; V308-L319 HydrophobicContact CG1-CD1 4.08Å; V308-L319 PolarHBondContact O-N 2.83Å; V308-G320 PolarHBondContact N-O 2.8Å; V308-L366 HydrophobicContact CG2-CD1 3.87Å; V308-L366 HydrophobicContact CG2-CD2 3.89Å
309W93.3Very high89Confident50 Ų5042.8 Ų42.819%0.18921%0.206CC..EExtended strand (participates in β ladder)trans-131138-176.7-6181.2000110.8S256 F257 T307 N316 Q317 F318S256-W309 CarbonylContact C-O 3.48Å; S256-W309 WeakPolarHBondContact CA-O 3.44Å; F257-W309 HydrophobicContact CD1-CB 4.03Å; F257-W309 WeakPolarHBondContact CD1-O 3.46Å; F257-W309 HydrophobicContact CE1-CB 3.53Å; F257-W309 HydrophobicContact CE2-CB 4.08Å; F257-W309 HydrophobicContact CE2-CG 4.34Å; F257-W309 HydrophobicContact CG-CB 4.49Å; F257-W309 HydrophobicContact CZ-CB 3.56Å; F257-W309 HydrophobicContact CZ-CG 4.08Å; F257-W309 PolarHBondContact N-O 2.79Å; F257-W309 PolarHBondContact O-N 2.87Å; T307-W309 VanDerWaalsContact CB-NE1 3.29Å; T307-W309 VanDerWaalsContact O-CD1 3.23Å; T307-W309 PolarHBondContact OG1-NE1 3.16Å; W309-N316 HydrophobicContact CE3-CB 3.78Å; W309-N316 HydrophobicContact CZ3-CB 4.48Å; W309-Q317 CarbonylContact C-O 3.55Å; W309-Q317 VanDerWaalsContact CA-O 3.25Å; W309-Q317 WeakPolarHBondContact CA-O 3.17Å; W309-F318 HydrophobicContact CD2-CB 4.48Å; W309-F318 HydrophobicContact CD2-CD2 4.32Å; W309-F318 AromaticContact CE2-CD2 3.95Å; W309-F318 HydrophobicContact CE3-CB 3.99Å; W309-F318 HydrophobicContact CH2-CB 4.07Å; W309-F318 HydrophobicContact CH2-CD2 4.25Å; W309-F318 AromaticContact CZ2-CD2 3.92Å; W309-F318 HydrophobicContact CZ2-CD2 3.92Å; W309-F318 HydrophobicContact CZ3-CB 3.78Å
310D89.9Confident88.8Confident0 Ų042.5 Ų42.50%021%0.205CC..EExtended strand (participates in β ladder)trans-90.6126.9164.8173.442.2000110.5L254 N255 Y312 N316 Q317 L319L254-D310 HydrophobicContact CD2-CB 4.01Å; N255-D310 PolarHBondContact N-OD1 3.46Å; D310-Y312 PolarHBondContact O-N 2.87Å; D310-N316 CarbonylContact O-C 3.57Å; D310-N316 VanDerWaalsContact O-CA 3.28Å; D310-N316 WeakPolarHBondContact O-CA 3.31Å; D310-Q317 HydrophobicContact CB-CB 4.32Å; D310-Q317 PolarHBondContact N-O 2.96Å; D310-Q317 PolarHBondContact O-N 3.35Å; D310-L319 HydrophobicContact CB-CD1 4.1Å; D310-L319 HydrophobicContact CB-CD2 4.03Å; D310-L319 HydrophobicContact CB-CG 4.2Å
311H86.8Confident88.8Confident92 Ų9238.2 Ų38.243%0.42618%0.184SC..EExtended strand (participates in β ladder)trans-83.199.9173.2-176.4-98.6000110.6N255 F257 N316N255-H311 HydrophobicContact CB-CB 4.23Å; N255-H311 WeakPolarHBondContact O-CB 3.45Å; N255-H311 PolarHBondContact O-N 2.72Å; F257-H311 HydrophobicContact CD1-CB 4.33Å; F257-H311 HydrophobicContact CE1-CB 4.1Å; H311-N316 PolarHBondContact CD2-OD1 2.9Å
312Y73.8Confident88.9Confident69 Ų6935.6 Ų35.627%0.27117%0.172SC..EExtended strand (participates in β ladder)trans-113101.1-178.1-170.4-95.9000112.6R250 D310 L314 T315R250-Y312 HydrophobicContact CB-CD2 4.33Å; R250-Y312 HydrophobicContact CB-CE2 4.44Å; D310-Y312 PolarHBondContact O-N 2.87Å; Y312-L314 PolarHBondContact O-N 2.86Å; Y312-T315 CarbonylContact C-O 3.54Å; Y312-T315 WeakPolarHBondContact CA-O 3.47Å; Y312-T315 PolarHBondContact N-O 2.85Å; Y312-T315 PolarHBondContact O-N 2.74Å; Y312-T315 PolarHBondContact O-OG1 2.85Å
313K76Confident88.9Confident159 Ų15935.4 Ų35.469%0.69117%0.17SC*.THydrogen-bonded Turntrans55.1-101.8-179.6-58-177.7179.8-175.40112.2
314L76.8Confident89Confident167 Ų16735.4 Ų35.487%0.87417%0.17SC*.THydrogen-bonded Turntrans-106.10.5-178.1-62.5173.1000112.7Y312Y312-L314 PolarHBondContact O-N 2.86Å
315T74.8Confident89Confident68 Ų6835.4 Ų35.442%0.41717%0.17SC..EExtended strand (participates in β ladder)trans-134.1139.5-176.663.40000111.2Y312Y312-T315 CarbonylContact C-O 3.54Å; Y312-T315 WeakPolarHBondContact CA-O 3.47Å; Y312-T315 PolarHBondContact N-O 2.85Å; Y312-T315 PolarHBondContact O-N 2.74Å; Y312-T315 PolarHBondContact O-OG1 2.85Å
316N82.8Confident89Confident69 Ų6935.9 Ų35.937%0.36917%0.172SC..EExtended strand (participates in β ladder)trans-87.9138.3170.3-60.4-44.5000109.9F257 W309 D310 H311F257-N316 HydrophobicContact CZ-CB 4.45Å; W309-N316 HydrophobicContact CE3-CB 3.78Å; W309-N316 HydrophobicContact CZ3-CB 4.48Å; D310-N316 CarbonylContact O-C 3.57Å; D310-N316 VanDerWaalsContact O-CA 3.28Å; D310-N316 WeakPolarHBondContact O-CA 3.31Å; H311-N316 PolarHBondContact CD2-OD1 2.9Å
317Q83.3Confident88.8Confident13 Ų1337.1 Ų37.16%0.06119%0.185CC..EExtended strand (participates in β ladder)trans-106.9124.6173.9177.8167.736.400109.9L249 R250 W309 D310 L319L249-Q317 VanDerWaalsContact CB-CD 3.45Å; L249-Q317 HydrophobicContact CD1-CG 4.25Å; R250-Q317 VanDerWaalsContact CB-OE1 3.32Å; R250-Q317 VanDerWaalsContact CG-OE1 3.23Å; W309-Q317 CarbonylContact C-O 3.55Å; W309-Q317 VanDerWaalsContact CA-O 3.25Å; W309-Q317 WeakPolarHBondContact CA-O 3.17Å; D310-Q317 HydrophobicContact CB-CB 4.32Å; D310-Q317 PolarHBondContact N-O 2.96Å; D310-Q317 PolarHBondContact O-N 3.35Å; Q317-L319 HydrophobicContact CG-CD2 4.42Å
318F87.5Confident88.7Confident20 Ų2040.3 Ų40.39%0.08821%0.205CC..EExtended strand (participates in β ladder)trans-70.9129.6174.1-179.5-108.9000110.2T307 W309 G320 M368 L369T307-F318 HydrophobicContact CG2-CE2 3.77Å; W309-F318 HydrophobicContact CD2-CB 4.48Å; W309-F318 HydrophobicContact CD2-CD2 4.32Å; W309-F318 AromaticContact CE2-CD2 3.95Å; W309-F318 HydrophobicContact CE3-CB 3.99Å; W309-F318 HydrophobicContact CH2-CB 4.07Å; W309-F318 HydrophobicContact CH2-CD2 4.25Å; W309-F318 AromaticContact CZ2-CD2 3.92Å; W309-F318 HydrophobicContact CZ2-CD2 3.92Å; W309-F318 HydrophobicContact CZ3-CB 3.78Å; F318-G320 VanDerWaalsContact CE2-C 3.5Å; F318-G320 WeakPolarHBondContact CE2-O 3.39Å; F318-G320 WeakPolarHBondContact CZ-O 3.4Å; F318-M368 HydrophobicContact CD1-CE 3.98Å; F318-M368 HydrophobicContact CD1-SD 3.92Å; F318-M368 HydrophobicContact CE1-CE 3.98Å; F318-M368 HydrophobicContact CE1-SD 3.71Å; F318-L369 HydrophobicContact CZ-CB 4.36Å; F318-L369 HydrophobicContact CZ-CG 4.34Å
319L88.8Confident88.5Confident0 Ų041.7 Ų41.70%022%0.219CC..EExtended strand (participates in β ladder)trans-100.6-42.1-179.6-59.2-176.2000111.5R211 L246 L249 L254 V308 D310 Q317R211-L319 WeakPolarHBondContact CD-O 3.27Å; R211-L319 PolarHBondContact NH1-O 2.88Å; L246-L319 HydrophobicContact CB-CD1 4.33Å; L246-L319 HydrophobicContact CD1-CD1 4.01Å; L249-L319 HydrophobicContact CD1-CD2 3.95Å; L249-L319 HydrophobicContact CG-CD2 4.28Å; L254-L319 HydrophobicContact CD1-CD1 4.14Å; L254-L319 HydrophobicContact CD2-CD1 4.48Å; L254-L319 HydrophobicContact CD2-CD2 4.49Å; V308-L319 HydrophobicContact CB-CB 4.32Å; V308-L319 HydrophobicContact CG1-CB 4.35Å; V308-L319 HydrophobicContact CG1-CD1 4.08Å; V308-L319 PolarHBondContact O-N 2.83Å; D310-L319 HydrophobicContact CB-CD1 4.1Å; D310-L319 HydrophobicContact CB-CD2 4.03Å; D310-L319 HydrophobicContact CB-CG 4.2Å; Q317-L319 HydrophobicContact CG-CD2 4.42Å
320G90.8Very high88.5Confident0 Ų044.2 Ų44.20%023%0.231CC..EExtended strand (participates in β ladder)trans171.2176.3-179.400000110.6V308 F318 R367V308-G320 PolarHBondContact N-O 2.8Å; F318-G320 VanDerWaalsContact CE2-C 3.5Å; F318-G320 WeakPolarHBondContact CE2-O 3.39Å; F318-G320 WeakPolarHBondContact CZ-O 3.4Å; G320-R367 CarbonylContact C-O 3.59Å; G320-R367 WeakPolarHBondContact CA-O 3.44Å
321G93.9Very high88.6Confident0 Ų044.5 Ų44.50%023%0.233CC..EExtended strand (participates in β ladder)trans-161.8176.6177.500000113.3L306 R367L306-G321 CarbonylContact O-C 3.46Å; L306-G321 WeakPolarHBondContact O-CA 3.23Å; G321-R367 PolarHBondContact N-O 2.83Å; G321-R367 WeakPolarHBondContact O-CG 3.15Å; G321-R367 PolarHBondContact O-N 2.83Å
322L96.2Very high88.9Confident0 Ų045.7 Ų45.70%024%0.235CC..EExtended strand (participates in β ladder)trans-130.6152.3178.1-58.1174.2000109.6M214 L216 L306 I324 E345 L364 P365 L366M214-L322 HydrophobicContact CB-CD1 3.98Å; M214-L322 HydrophobicContact CG-CD1 4.39Å; M214-L322 HydrophobicContact SD-CD1 4.03Å; L216-L322 HydrophobicContact CD2-CD1 3.92Å; L306-L322 HydrophobicContact CB-CB 4.47Å; L306-L322 PolarHBondContact N-O 2.71Å; L306-L322 PolarHBondContact O-N 2.94Å; L322-I324 HydrophobicContact CB-CD1 4.31Å; L322-I324 HydrophobicContact CB-CG1 4.11Å; L322-I324 HydrophobicContact CD1-CD1 4.23Å; L322-E345 WeakPolarHBondContact CA-OE1 3.37Å; L322-L364 HydrophobicContact CD1-CB 3.81Å; L322-L364 HydrophobicContact CD1-CD1 4.07Å; L322-L364 HydrophobicContact CD2-CB 3.79Å; L322-L364 HydrophobicContact CG-CB 4.47Å; L322-P365 WeakPolarHBondContact CD2-O 3.34Å; L322-L366 HydrophobicContact CD2-CD2 4.27Å; L322-L366 HydrophobicContact CG-CD2 3.99Å
323R96Very high89.7Confident0 Ų045.8 Ų45.80%026%0.257CS..EExtended strand (participates in β ladder)trans-130.6112.7166.3-71.7167.5167.3173.4-9109.7V304 E305 D337 W338 D340 S341 E345 L369 L370V304-R323 CarbonylContact O-C 3.44Å; V304-R323 VanDerWaalsContact O-CA 3.3Å; V304-R323 WeakPolarHBondContact O-CA 3.38Å; E305-R323 HydrophobicContact CB-CG 4.28Å; E305-R323 HydrophobicContact CG-CG 4.04Å; E305-R323 IonicContact OE2-CZ 3.51Å; E305-R323 IonicContact OE2-NE 3.68Å; E305-R323 PolarHBondContact OE2-NE 2.93Å; E305-R323 IonicContact OE2-NH2 3.78Å; E305-R323 PolarHBondContact OE2-NH2 3.39Å; R323-D337 PolarHBondContact NH1-O 2.89Å; R323-W338 WeakPolarHBondContact CD-O 3.28Å; R323-D340 WeakPolarHBondContact CD-OD1 3.04Å; R323-D340 IonicContact NE-OD1 3.75Å; R323-D340 IonicContact NH1-OD1 2.84Å; R323-D340 PolarHBondContact NH1-OD1 2.91Å; R323-D340 IonicContact NH1-OD2 2.59Å; R323-D340 PolarHBondContact NH1-OD2 2.86Å; R323-S341 WeakPolarHBondContact O-CB 3.22Å; R323-S341 PolarHBondContact O-OG 3.15Å; R323-E345 PolarHBondContact N-OE1 3.08Å; R323-E345 WeakPolarHBondContact O-CB 3.46Å; R323-E345 VanDerWaalsContact O-OE2 3.06Å; R323-L369 HydrophobicContact CG-CD1 4.07Å; R323-L369 HydrophobicContact CG-CD2 4.18Å; R323-L370 VanDerWaalsContact CZ-O 3.32Å; R323-L370 PolarHBondContact NH1-O 3.07Å; R323-L370 PolarHBondContact NH2-O 3.34Å
324I97.7Very high90.4Very high0 Ų042.5 Ų42.50%025%0.25CC..EExtended strand (participates in β ladder)trans-113.8106-168.2-47.1174.1000107.5L216 L218 V304 L306 L322 E345 L348 W349 L364L216-I324 HydrophobicContact CD1-CD1 3.49Å; L216-I324 VanDerWaalsContact CD1-CD1 3.49Å; L216-I324 HydrophobicContact CD2-CD1 4.4Å; L218-I324 HydrophobicContact CD1-CG2 3.85Å; V304-I324 HydrophobicContact CB-CB 4.32Å; V304-I324 PolarHBondContact N-O 2.9Å; V304-I324 PolarHBondContact O-N 2.81Å; L306-I324 HydrophobicContact CD1-CD1 4.12Å; L322-I324 HydrophobicContact CB-CD1 4.31Å; L322-I324 HydrophobicContact CB-CG1 4.11Å; L322-I324 HydrophobicContact CD1-CD1 4.23Å; I324-E345 HydrophobicContact CG1-CG 4.44Å; I324-E345 WeakPolarHBondContact CG2-O 3.11Å; I324-L348 HydrophobicContact CD1-CD2 4.16Å; I324-L348 HydrophobicContact CG2-CB 4.42Å; I324-L348 HydrophobicContact CG2-CD2 4.15Å; I324-L348 HydrophobicContact CG2-CG 4.42Å; I324-W349 HydrophobicContact CG2-CB 4.09Å; I324-W349 HydrophobicContact CG2-CE3 4.02Å; I324-L364 HydrophobicContact CD1-CD1 3.96Å; I324-L364 HydrophobicContact CG1-CD1 4.27Å
325G96.8Very high91Very high0 Ų041.8 Ų41.80%024%0.242CC..EExtended strand (participates in β ladder)trans-168.8-170.2-175.900000109.1G327 S341 V346G325-G327 VanDerWaalsContact C-N 3.28Å; G325-G327 PolarHBondContact O-N 3.33Å; G325-S341 PolarHBondContact N-OG 2.79Å; G325-S341 VanDerWaalsContact N-OG 3.17Å; G325-S341 WeakPolarHBondContact O-CB 3.35Å; G325-S341 PolarHBondContact O-OG 2.86Å; G325-V346 WeakPolarHBondContact O-CA 3.3Å; G325-V346 WeakPolarHBondContact O-CG2 3.3Å
326F96.2Very high91.6Very high33 Ų3340.1 Ų40.115%0.14523%0.232CC..  trans-75.4-7.5-179.9-78-82.5000115.3L299 M300 T328 M339 W349 E350 V353L299-F326 WeakPolarHBondContact O-CD2 3.43Å; L299-F326 VanDerWaalsContact O-CE2 3.26Å; L299-F326 WeakPolarHBondContact O-CE2 3.36Å; M300-F326 HydrophobicContact CE-CD1 4.08Å; M300-F326 HydrophobicContact CE-CD2 3.98Å; M300-F326 HydrophobicContact CE-CE1 3.76Å; M300-F326 HydrophobicContact CE-CE2 3.69Å; M300-F326 HydrophobicContact CE-CG 4.18Å; M300-F326 HydrophobicContact CE-CZ 3.57Å; M300-F326 HydrophobicContact CG-CE2 4.48Å; M300-F326 HydrophobicContact SD-CD2 4.1Å; M300-F326 HydrophobicContact SD-CE1 4.19Å; M300-F326 HydrophobicContact SD-CE2 3.33Å; M300-F326 WeakPolarHBondContact SD-CE2 3.4Å; M300-F326 HydrophobicContact SD-CZ 3.38Å; M300-F326 WeakPolarHBondContact SD-CZ 3.25Å; F326-T328 VanDerWaalsContact C-N 3.25Å; F326-T328 HydrophobicContact CB-CG2 3.87Å; F326-T328 PolarHBondContact O-N 2.73Å; F326-T328 VanDerWaalsContact O-N 3.17Å; F326-M339 HydrophobicContact CB-CE 4.16Å; F326-W349 AromaticContact CD2-CD1 3.38Å; F326-W349 AromaticContact CD2-NE1 3.44Å; F326-W349 AromaticContact CE2-CD1 3.37Å; F326-W349 AromaticContact CE2-NE1 3.39Å; F326-W349 AromaticContact CG-CD1 3.98Å; F326-W349 AromaticContact CZ-CD1 4Å; F326-E350 HydrophobicContact CD1-CG 3.97Å; F326-E350 HydrophobicContact CE1-CG 3.54Å; F326-E350 HydrophobicContact CZ-CG 4.37Å; F326-V353 HydrophobicContact CE2-CG2 4.24Å; F326-V353 HydrophobicContact CZ-CG2 4.26Å
327G93.1Very high91.6Very high27 Ų2740.3 Ų40.328%0.27823%0.233SC..  trans62.326172.700000115.5G325 G329 M339G325-G327 VanDerWaalsContact C-N 3.28Å; G325-G327 PolarHBondContact O-N 3.33Å; G327-G329 VanDerWaalsContact C-N 3.25Å; G327-G329 PolarHBondContact O-N 3.05Å; G327-M339 CarbonylContact C-O 3.4Å; G327-M339 WeakPolarHBondContact CA-O 3.45Å
328T93.8Very high91.9Very high80 Ų8040.6 Ų40.649%0.49123%0.233SC..  trans-74.3-7.4-173.2580000114.8F326 K330 M339F326-T328 VanDerWaalsContact C-N 3.25Å; F326-T328 HydrophobicContact CB-CG2 3.87Å; F326-T328 PolarHBondContact O-N 2.73Å; F326-T328 VanDerWaalsContact O-N 3.17Å; T328-K330 PolarHBondContact O-N 2.66Å; T328-K330 PolarHBondContact OG1-N 2.83Å; T328-K330 PolarHBondContact OG1-O 2.84Å; T328-M339 WeakPolarHBondContact OG1-CG 3.4Å
329G90.5Very high92.1Very high28 Ų2839.8 Ų39.829%0.28923%0.23SC..SBendtrans66.54.2-16900000114.6G327 V336 M339G327-G329 VanDerWaalsContact C-N 3.25Å; G327-G329 PolarHBondContact O-N 3.05Å; G329-V336 PolarHBondContact O-N 2.8Å; G329-M339 WeakPolarHBondContact CA-O 3.26Å; G329-M339 PolarHBondContact N-O 3.18Å
330K92Very high92.2Very high103 Ų10342.2 Ų42.245%0.44824%0.243SC..EExtended strand (participates in β ladder)trans-137.3146.7-176.9-66.7-177.6-178.3-176.90111.1T328 T334 E335T328-K330 PolarHBondContact O-N 2.66Å; T328-K330 PolarHBondContact OG1-N 2.83Å; T328-K330 PolarHBondContact OG1-O 2.84Å; K330-T334 CarbonylContact C-O 3.55Å; K330-T334 WeakPolarHBondContact CA-O 3.18Å; K330-E335 HydrophobicContact CD-CG 4.37Å; K330-E335 HydrophobicContact CG-CG 4.02Å; K330-E335 IonicContact NZ-OE1 3.93Å
331S92.6Very high92.3Very high6 Ų643 Ų434%0.04225%0.248CC..EExtended strand (participates in β ladder)trans-142.7130.8171.4179.80000110.1E301 G333 T334 W338E301-S331 PolarHBondContact O-OG 2.79Å; E301-S331 VanDerWaalsContact OE2-CA 3.24Å; E301-S331 WeakPolarHBondContact OE2-CA 3.35Å; S331-G333 PolarHBondContact O-N 3Å; S331-T334 PolarHBondContact N-O 3.26Å; S331-T334 WeakPolarHBondContact O-CB 3.37Å; S331-T334 PolarHBondContact O-N 3.07Å; S331-W338 VanDerWaalsContact OG-CH2 3.26Å; S331-W338 WeakPolarHBondContact OG-CH2 3.17Å
332Y93.1Very high92.3Very high118 Ų11845.7 Ų45.746%0.46327%0.265SS..THydrogen-bonded Turntrans46.145.5-173.9-60.5-83.6000112.3P264 D298 E301 T334P264-Y332 HydrophobicContact CG-CD2 4.28Å; P264-Y332 HydrophobicContact CG-CE2 3.89Å; D298-Y332 PolarHBondContact OD1-OH 3.44Å; E301-Y332 HydrophobicContact CB-CD1 4.28Å; E301-Y332 HydrophobicContact CB-CD2 3.94Å; E301-Y332 HydrophobicContact CB-CE1 3.95Å; E301-Y332 HydrophobicContact CB-CE2 3.57Å; E301-Y332 HydrophobicContact CB-CG 4.29Å; E301-Y332 HydrophobicContact CG-CD1 4.08Å; E301-Y332 HydrophobicContact CG-CE1 3.97Å; E301-Y332 HydrophobicContact CG-CE2 4.4Å; E301-Y332 HydrophobicContact CG-CG 4.37Å; E301-Y332 PolarHBondContact OE2-N 3.38Å; Y332-T334 PolarHBondContact O-N 3.46Å
333G90.3Very high92.2Very high71 Ų7150.9 Ų50.973%0.73230%0.301SS*.THydrogen-bonded Turntrans75.40.1-179.900000115.9S331S331-G333 PolarHBondContact O-N 3Å
334T90.5Very high92.2Very high89 Ų8956.1 Ų56.155%0.54633%0.325SS..EExtended strand (participates in β ladder)trans-104.3135.6-179-55.30000110.8K330 S331 Y332 V336K330-T334 CarbonylContact C-O 3.55Å; K330-T334 WeakPolarHBondContact CA-O 3.18Å; S331-T334 PolarHBondContact N-O 3.26Å; S331-T334 WeakPolarHBondContact O-CB 3.37Å; S331-T334 PolarHBondContact O-N 3.07Å; Y332-T334 PolarHBondContact O-N 3.46Å; T334-V336 PolarHBondContact O-N 3.26Å
335E90.3Very high92.2Very high152 Ų15256.2 Ų56.271%0.7133%0.326SS*.EExtended strand (participates in β ladder)trans-66.6130.9171.9-72.5-178.1174.800111.1K330K330-E335 HydrophobicContact CD-CG 4.37Å; K330-E335 HydrophobicContact CG-CG 4.02Å; K330-E335 IonicContact NZ-OE1 3.93Å
336V86.8Confident92.2Very high34 Ų3457.3 Ų57.321%0.20633%0.333CS..  trans-137.8145.1-175.6-670000111.4G329 T334 W338 M339G329-V336 PolarHBondContact O-N 2.8Å; T334-V336 PolarHBondContact O-N 3.26Å; V336-W338 VanDerWaalsContact C-N 3.29Å; V336-W338 HydrophobicContact CB-CD2 4.09Å; V336-W338 HydrophobicContact CB-CG 4.3Å; V336-W338 HydrophobicContact CB-CZ2 4Å; V336-W338 HydrophobicContact CG1-CZ2 3.81Å; V336-W338 HydrophobicContact CG2-CD2 3.92Å; V336-W338 HydrophobicContact CG2-CE3 4.21Å; V336-W338 HydrophobicContact CG2-CG 4.5Å; V336-W338 HydrophobicContact CG2-CH2 4.18Å; V336-W338 HydrophobicContact CG2-CZ2 3.82Å; V336-W338 HydrophobicContact CG2-CZ3 4.33Å; V336-W338 PolarHBondContact O-N 2.94Å; V336-M339 HydrophobicContact CG2-CB 3.63Å
337D83.4Confident92.3Very high72 Ų7258.3 Ų58.339%0.38535%0.347SS..THydrogen-bonded Turntrans-82.7-5.8-17863.1-4.2000114R323R323-D337 PolarHBondContact NH1-O 2.89Å
338W88.8Confident92.5Very high20 Ų2057.3 Ų57.38%0.07634%0.335CS..THydrogen-bonded Turntrans-106.4-7.1-174.854.1-103.5000114.7L263 P264 C303 R323 S331 V336 D340 A372L263-W338 HydrophobicContact CB-CD2 4.03Å; L263-W338 HydrophobicContact CB-CE3 3.76Å; L263-W338 HydrophobicContact CB-CH2 4.13Å; L263-W338 HydrophobicContact CB-CZ2 4.43Å; L263-W338 HydrophobicContact CB-CZ3 3.83Å; L263-W338 HydrophobicContact CD1-CB 3.64Å; L263-W338 HydrophobicContact CD1-CD2 3.8Å; L263-W338 HydrophobicContact CD1-CE3 3.86Å; L263-W338 HydrophobicContact CD1-CG 3.73Å; L263-W338 HydrophobicContact CG-CE3 4.47Å; P264-W338 HydrophobicContact CB-CH2 4.16Å; P264-W338 HydrophobicContact CB-CZ2 3.88Å; C303-W338 HydrophobicContact CB-CE3 3.98Å; C303-W338 HydrophobicContact CB-CZ3 3.88Å; R323-W338 WeakPolarHBondContact CD-O 3.28Å; S331-W338 VanDerWaalsContact OG-CH2 3.26Å; S331-W338 WeakPolarHBondContact OG-CH2 3.17Å; V336-W338 VanDerWaalsContact C-N 3.29Å; V336-W338 HydrophobicContact CB-CD2 4.09Å; V336-W338 HydrophobicContact CB-CG 4.3Å; V336-W338 HydrophobicContact CB-CZ2 4Å; V336-W338 HydrophobicContact CG1-CZ2 3.81Å; V336-W338 HydrophobicContact CG2-CD2 3.92Å; V336-W338 HydrophobicContact CG2-CE3 4.21Å; V336-W338 HydrophobicContact CG2-CG 4.5Å; V336-W338 HydrophobicContact CG2-CH2 4.18Å; V336-W338 HydrophobicContact CG2-CZ2 3.82Å; V336-W338 HydrophobicContact CG2-CZ3 4.33Å; V336-W338 PolarHBondContact O-N 2.94Å; W338-D340 PolarHBondContact O-N 2.93Å; W338-D340 VanDerWaalsContact O-N 3.13Å; W338-A372 HydrophobicContact CB-CB 3.87Å; W338-A372 HydrophobicContact CG-CB 4.04Å
339M91.7Very high92.7Very high2 Ų253.5 Ų53.51%0.0131%0.312CS..  trans-89.756.8172.2-155.656.4158.500109.4A302 C303 F326 G327 T328 G329 V336A302-M339 WeakPolarHBondContact O-CE 3.42Å; C303-M339 HydrophobicContact CB-SD 3.72Å; F326-M339 HydrophobicContact CB-CE 4.16Å; G327-M339 CarbonylContact C-O 3.4Å; G327-M339 WeakPolarHBondContact CA-O 3.45Å; T328-M339 WeakPolarHBondContact OG1-CG 3.4Å; G329-M339 WeakPolarHBondContact CA-O 3.26Å; G329-M339 PolarHBondContact N-O 3.18Å; V336-M339 HydrophobicContact CG2-CB 3.63Å
340D91.4Very high93.1Very high52 Ų5256.2 Ų56.228%0.27832%0.317SS..  trans-114.927-16873.7-23.2000112.8R323 W338 R367R323-D340 WeakPolarHBondContact CD-OD1 3.04Å; R323-D340 IonicContact NE-OD1 3.75Å; R323-D340 IonicContact NH1-OD1 2.84Å; R323-D340 PolarHBondContact NH1-OD1 2.91Å; R323-D340 IonicContact NH1-OD2 2.59Å; R323-D340 PolarHBondContact NH1-OD2 2.86Å; W338-D340 PolarHBondContact O-N 2.93Å; W338-D340 VanDerWaalsContact O-N 3.13Å; D340-R367 PolarHBondContact O-NH2 3.41Å; D340-R367 IonicContact OD1-CZ 2.79Å; D340-R367 IonicContact OD1-NH1 2.91Å; D340-R367 IonicContact OD1-NH2 3.16Å; D340-R367 PolarHBondContact OD1-NH2 3.08Å; D340-R367 IonicContact OD2-CZ 3.31Å; D340-R367 IonicContact OD2-NH1 3.95Å; D340-R367 PolarHBondContact OD2-NH1 3.08Å; D340-R367 IonicContact OD2-NH2 3.94Å
341S94Very high93.3Very high15 Ų1556.9 Ų56.911%0.10532%0.319CS..  trans-56.3136.9-177.4-61.50000112.5R323 G325 E345R323-S341 WeakPolarHBondContact O-CB 3.22Å; R323-S341 PolarHBondContact O-OG 3.15Å; G325-S341 PolarHBondContact N-OG 2.79Å; G325-S341 VanDerWaalsContact N-OG 3.17Å; G325-S341 WeakPolarHBondContact O-CB 3.35Å; G325-S341 PolarHBondContact O-OG 2.86Å; S341-E345 VanDerWaalsContact CA-OE2 3.23Å; S341-E345 WeakPolarHBondContact CA-OE2 3.45Å
342T92.3Very high93.6Very high58 Ų5856.6 Ų56.636%0.35632%0.317SS..  trans-70.1165.5171.170.90000111.1E344 E345 V346T342-E344 PolarHBondContact O-N 3.44Å; T342-E345 PolarHBondContact N-OE2 2.81Å; T342-E345 WeakPolarHBondContact O-CB 3.3Å; T342-E345 PolarHBondContact O-N 2.92Å; T342-E345 VanDerWaalsContact O-N 3.09Å; T342-E345 WeakPolarHBondContact OG1-CG 3.4Å; T342-E345 PolarHBondContact OG1-N 2.92Å; T342-V346 WeakPolarHBondContact O-CG2 3.42Å; T342-V346 PolarHBondContact O-N 3.19Å
343S94.4Very high93.7Very high109 Ų10952.4 Ų52.476%0.76230%0.304SS*.Hα-helixtrans-56.8-34.3178.4-49.50000113.5A347S343-A347 VanDerWaalsContact O-CB 3.32Å; S343-A347 WeakPolarHBondContact O-CB 3.23Å; S343-A347 PolarHBondContact O-N 3.03Å
344E95.6Very high93.9Very high110 Ų11055.1 Ų55.151%0.51430%0.302SS..Hα-helixtrans-73.6-40.1176.6-61.8178.6172.300112T342 A347 L348 L364 P365T342-E344 PolarHBondContact O-N 3.44Å; E344-A347 PolarHBondContact O-N 3.1Å; E344-L348 PolarHBondContact O-N 3.23Å; E344-L348 VanDerWaalsContact O-N 3.13Å; E344-L364 HydrophobicContact CB-CD2 3.63Å; E344-P365 VanDerWaalsContact OE2-CD 3.29Å; E344-P365 WeakPolarHBondContact OE2-CD 3.41Å
345E97.6Very high94.2Very high2 Ų252.8 Ų52.81%0.00929%0.289CS..Hα-helixtrans-61.9-44.4173.9-70.7171.8151.800110.6L322 R323 I324 S341 T342 L348 W349 L364 R367L322-E345 WeakPolarHBondContact CA-OE1 3.37Å; R323-E345 PolarHBondContact N-OE1 3.08Å; R323-E345 WeakPolarHBondContact O-CB 3.46Å; R323-E345 VanDerWaalsContact O-OE2 3.06Å; I324-E345 HydrophobicContact CG1-CG 4.44Å; I324-E345 WeakPolarHBondContact CG2-O 3.11Å; S341-E345 VanDerWaalsContact CA-OE2 3.23Å; S341-E345 WeakPolarHBondContact CA-OE2 3.45Å; T342-E345 PolarHBondContact N-OE2 2.81Å; T342-E345 WeakPolarHBondContact O-CB 3.3Å; T342-E345 PolarHBondContact O-N 2.92Å; T342-E345 VanDerWaalsContact O-N 3.09Å; T342-E345 WeakPolarHBondContact OG1-CG 3.4Å; T342-E345 PolarHBondContact OG1-N 2.92Å; E345-L348 PolarHBondContact O-N 3.29Å; E345-W349 PolarHBondContact O-N 2.94Å; E345-L364 HydrophobicContact CG-CD1 4.06Å; E345-R367 IonicContact OE1-CZ 2.87Å; E345-R367 IonicContact OE1-NE 2.91Å; E345-R367 PolarHBondContact OE1-NE 2.81Å; E345-R367 IonicContact OE1-NH2 3.68Å; E345-R367 IonicContact OE2-CZ 3.52Å; E345-R367 IonicContact OE2-NE 2.71Å; E345-R367 PolarHBondContact OE2-NE 2.85Å; E345-R367 IonicContact OE2-NH2 3.4Å; E345-R367 PolarHBondContact OE2-NH2 3.19Å
346V97.9Very high94.3Very high23 Ų2348.3 Ų48.314%0.13927%0.273CS..Hα-helixtrans-62.4-48.2175.8173.80000111G325 T342 L348 W349 E350G325-V346 WeakPolarHBondContact O-CA 3.3Å; G325-V346 WeakPolarHBondContact O-CG2 3.3Å; T342-V346 WeakPolarHBondContact O-CG2 3.42Å; T342-V346 PolarHBondContact O-N 3.19Å; V346-L348 VanDerWaalsContact C-N 3.27Å; V346-L348 PolarHBondContact O-N 3.33Å; V346-W349 PolarHBondContact O-N 3.07Å; V346-W349 VanDerWaalsContact O-N 3.08Å; V346-E350 HydrophobicContact CG1-CG 4.01Å; V346-E350 WeakPolarHBondContact O-CB 3.17Å; V346-E350 WeakPolarHBondContact O-CG 3.41Å; V346-E350 PolarHBondContact O-N 3.09Å
347A97.9Very high94.7Very high53 Ų5351.4 Ų51.444%0.43829%0.289SS..Hα-helixtrans-59.1-37.9-179.200000112.5S343 E344 K351S343-A347 VanDerWaalsContact O-CB 3.32Å; S343-A347 WeakPolarHBondContact O-CB 3.23Å; S343-A347 PolarHBondContact O-N 3.03Å; E344-A347 PolarHBondContact O-N 3.1Å; A347-K351 VanDerWaalsContact O-CB 3.23Å; A347-K351 WeakPolarHBondContact O-CB 3.49Å; A347-K351 PolarHBondContact O-N 3.07Å
348L98.1Very high95.4Very high7 Ų751.5 Ų51.54%0.03729%0.292CS..Hα-helixtrans-65.3-45.5174.6179.463.6000111.7L216 L218 I324 E344 E345 V346 K351 M352 V360 A362 L364L216-L348 HydrophobicContact CD1-CD2 4.32Å; L216-L348 HydrophobicContact CG-CD2 4.36Å; L218-L348 HydrophobicContact CD1-CD2 4Å; L218-L348 HydrophobicContact CD1-CG 4Å; L218-L348 HydrophobicContact CG-CD2 4.22Å; L218-L348 HydrophobicContact CG-CG 4.41Å; I324-L348 HydrophobicContact CD1-CD2 4.16Å; I324-L348 HydrophobicContact CG2-CB 4.42Å; I324-L348 HydrophobicContact CG2-CD2 4.15Å; I324-L348 HydrophobicContact CG2-CG 4.42Å; E344-L348 PolarHBondContact O-N 3.23Å; E344-L348 VanDerWaalsContact O-N 3.13Å; E345-L348 PolarHBondContact O-N 3.29Å; V346-L348 VanDerWaalsContact C-N 3.27Å; V346-L348 PolarHBondContact O-N 3.33Å; L348-K351 PolarHBondContact O-N 3.04Å; L348-M352 PolarHBondContact O-N 3.17Å; L348-M352 VanDerWaalsContact O-N 3.1Å; L348-V360 HydrophobicContact CD1-CB 4.29Å; L348-V360 HydrophobicContact CD1-CG2 3.84Å; L348-A362 HydrophobicContact CD1-CB 3.88Å; L348-A362 HydrophobicContact CD2-CB 4.08Å; L348-A362 HydrophobicContact CG-CB 4.38Å; L348-L364 HydrophobicContact CD2-CD1 3.82Å
349W97.9Very high95.8Very high0 Ų055.1 Ų55.10%031%0.306CS..Hα-helixtrans-62.9-49.7179.1-167.7-105.9000111.8L218 V236 L299 V304 I324 F326 E345 V346 K351 M352 V353L218-W349 HydrophobicContact CD1-CE3 3.87Å; L218-W349 HydrophobicContact CD1-CZ3 4.19Å; V236-W349 HydrophobicContact CG1-CH2 4.37Å; V236-W349 HydrophobicContact CG1-CZ3 4.42Å; L299-W349 HydrophobicContact CD2-CZ2 4.42Å; L299-W349 PolarHBondContact O-NE1 3.46Å; V304-W349 HydrophobicContact CB-CZ3 4.32Å; V304-W349 HydrophobicContact CG2-CE3 4.43Å; V304-W349 HydrophobicContact CG2-CH2 3.83Å; V304-W349 HydrophobicContact CG2-CZ3 3.41Å; V304-W349 VanDerWaalsContact CG2-CZ3 3.41Å; I324-W349 HydrophobicContact CG2-CB 4.09Å; I324-W349 HydrophobicContact CG2-CE3 4.02Å; F326-W349 AromaticContact CD2-CD1 3.38Å; F326-W349 AromaticContact CD2-NE1 3.44Å; F326-W349 AromaticContact CE2-CD1 3.37Å; F326-W349 AromaticContact CE2-NE1 3.39Å; F326-W349 AromaticContact CG-CD1 3.98Å; F326-W349 AromaticContact CZ-CD1 4Å; E345-W349 PolarHBondContact O-N 2.94Å; V346-W349 PolarHBondContact O-N 3.07Å; V346-W349 VanDerWaalsContact O-N 3.08Å; W349-K351 VanDerWaalsContact C-N 3.3Å; W349-K351 PolarHBondContact O-N 2.91Å; W349-M352 HydrophobicContact CD2-CE 3.96Å; W349-M352 HydrophobicContact CE3-CE 3.75Å; W349-M352 HydrophobicContact CE3-SD 4.48Å; W349-M352 HydrophobicContact CH2-CE 3.78Å; W349-M352 HydrophobicContact CZ2-CE 3.98Å; W349-M352 HydrophobicContact CZ3-CE 3.64Å; W349-M352 HydrophobicContact CZ3-SD 4.28Å; W349-M352 WeakPolarHBondContact O-CB 3.42Å; W349-M352 PolarHBondContact O-N 3.33Å; W349-M352 VanDerWaalsContact O-N 3.11Å; W349-V353 WeakPolarHBondContact O-CG2 3.26Å; W349-V353 PolarHBondContact O-N 2.86Å
350E97.4Very high96.1Very high84 Ų8455.2 Ų55.239%0.39331%0.306SS..Hα-helixtrans-57.4-43.5177-74.9-175.6163.300111.8F326 V346 M352 V353 N354F326-E350 HydrophobicContact CD1-CG 3.97Å; F326-E350 HydrophobicContact CE1-CG 3.54Å; F326-E350 HydrophobicContact CZ-CG 4.37Å; V346-E350 HydrophobicContact CG1-CG 4.01Å; V346-E350 WeakPolarHBondContact O-CB 3.17Å; V346-E350 WeakPolarHBondContact O-CG 3.41Å; V346-E350 PolarHBondContact O-N 3.09Å; E350-M352 VanDerWaalsContact C-N 3.3Å; E350-M352 PolarHBondContact O-N 2.98Å; E350-V353 PolarHBondContact O-N 2.92Å; E350-N354 WeakPolarHBondContact O-CB 3.3Å; E350-N354 VanDerWaalsContact O-CG 3.3Å; E350-N354 PolarHBondContact O-N 2.78Å; E350-N354 PolarHBondContact O-ND2 2.92Å
351K97.7Very high96.4Very high117 Ų11756.9 Ų56.951%0.50931%0.313SS..Hα-helixtrans-62.3-39.1178-165.4-177.1175.5177.40111.8A347 L348 W349 S355 V360A347-K351 VanDerWaalsContact O-CB 3.23Å; A347-K351 WeakPolarHBondContact O-CB 3.49Å; A347-K351 PolarHBondContact O-N 3.07Å; L348-K351 PolarHBondContact O-N 3.04Å; W349-K351 VanDerWaalsContact C-N 3.3Å; W349-K351 PolarHBondContact O-N 2.91Å; K351-S355 VanDerWaalsContact O-CB 3.25Å; K351-S355 WeakPolarHBondContact O-CB 3.08Å; K351-S355 PolarHBondContact O-N 3.49Å; K351-S355 VanDerWaalsContact O-N 3.13Å; K351-S355 PolarHBondContact O-OG 3.29Å; K351-V360 HydrophobicContact CB-CG1 4.32Å; K351-V360 HydrophobicContact CD-CB 4.1Å; K351-V360 HydrophobicContact CD-CG1 4Å; K351-V360 HydrophobicContact CG-CB 4.23Å; K351-V360 HydrophobicContact CG-CG1 3.75Å
352M97.5Very high96.6Very high0 Ų057.4 Ų57.40%032%0.318CS..Hα-helixtrans-63.4-50.9175.6-177.2-160.163.900110.9L218 V236 L299 L348 W349 E350 N354 S355 V360L218-M352 HydrophobicContact CB-CB 4.23Å; L218-M352 HydrophobicContact CB-CG 3.94Å; L218-M352 HydrophobicContact CB-SD 3.61Å; L218-M352 HydrophobicContact CD1-SD 4.22Å; V236-M352 HydrophobicContact CG1-SD 4.08Å; L299-M352 HydrophobicContact CD2-CE 4.43Å; L348-M352 PolarHBondContact O-N 3.17Å; L348-M352 VanDerWaalsContact O-N 3.1Å; W349-M352 HydrophobicContact CD2-CE 3.96Å; W349-M352 HydrophobicContact CE3-CE 3.75Å; W349-M352 HydrophobicContact CE3-SD 4.48Å; W349-M352 HydrophobicContact CH2-CE 3.78Å; W349-M352 HydrophobicContact CZ2-CE 3.98Å; W349-M352 HydrophobicContact CZ3-CE 3.64Å; W349-M352 HydrophobicContact CZ3-SD 4.28Å; W349-M352 WeakPolarHBondContact O-CB 3.42Å; W349-M352 PolarHBondContact O-N 3.33Å; W349-M352 VanDerWaalsContact O-N 3.11Å; E350-M352 VanDerWaalsContact C-N 3.3Å; E350-M352 PolarHBondContact O-N 2.98Å; M352-N354 VanDerWaalsContact C-N 3.29Å; M352-N354 PolarHBondContact O-N 2.91Å; M352-S355 CarbonylContact O-C 3.6Å; M352-S355 PolarHBondContact O-N 3.46Å; M352-S355 VanDerWaalsContact O-N 3.15Å; M352-V360 HydrophobicContact CB-CG2 3.53Å; M352-V360 HydrophobicContact CG-CG2 4.23Å
353V95.4Very high96.9Very high31 Ų3157.5 Ų57.519%0.18832%0.318CS..Hα-helixtrans-60.4-41.1-178.6174.40000111L299 F326 W349 E350 S355L299-V353 HydrophobicContact CB-CG2 4.21Å; L299-V353 HydrophobicContact CD1-CG1 4.38Å; L299-V353 HydrophobicContact CD1-CG2 4.34Å; F326-V353 HydrophobicContact CE2-CG2 4.24Å; F326-V353 HydrophobicContact CZ-CG2 4.26Å; W349-V353 WeakPolarHBondContact O-CG2 3.26Å; W349-V353 PolarHBondContact O-N 2.86Å; E350-V353 PolarHBondContact O-N 2.92Å; V353-S355 VanDerWaalsContact C-N 3.31Å; V353-S355 PolarHBondContact O-N 2.87Å
354N95.7Very high97Very high128 Ų12852.5 Ų52.568%0.68428%0.283SS*.Hα-helixtrans-78.7-9.9-179.9-69-40.7000114.3E350 M352 P356E350-N354 WeakPolarHBondContact O-CB 3.3Å; E350-N354 VanDerWaalsContact O-CG 3.3Å; E350-N354 PolarHBondContact O-N 2.78Å; E350-N354 PolarHBondContact O-ND2 2.92Å; M352-N354 VanDerWaalsContact C-N 3.29Å; M352-N354 PolarHBondContact O-N 2.91Å; N354-P356 VanDerWaalsContact C-CD 3.48Å
355S95.6Very high97Very high39 Ų3950.2 Ų50.227%0.27328%0.278SS..SBendtrans-126.465.4-178.9-45.90000112.2K351 M352 V353 T358K351-S355 VanDerWaalsContact O-CB 3.25Å; K351-S355 WeakPolarHBondContact O-CB 3.08Å; K351-S355 PolarHBondContact O-N 3.49Å; K351-S355 VanDerWaalsContact O-N 3.13Å; K351-S355 PolarHBondContact O-OG 3.29Å; M352-S355 CarbonylContact O-C 3.6Å; M352-S355 PolarHBondContact O-N 3.46Å; M352-S355 VanDerWaalsContact O-N 3.15Å; V353-S355 VanDerWaalsContact C-N 3.31Å; V353-S355 PolarHBondContact O-N 2.87Å; S355-T358 VanDerWaalsContact O-CB 3.31Å; S355-T358 WeakPolarHBondContact O-CB 3.33Å; S355-T358 PolarHBondContact O-N 2.98Å; S355-T358 VanDerWaalsContact O-N 3.16Å
356P93.1Very high96.8Very high58 Ų5850.6 Ų50.638%0.37728%0.28SS..THydrogen-bonded Turntrans-54.8148.5179.2-23.333.1000112.5P222 N354 T358P222-P356 HydrophobicContact CG-CB 4.03Å; N354-P356 VanDerWaalsContact C-CD 3.48Å; P356-T358 PolarHBondContact O-N 3.47Å; P356-T358 VanDerWaalsContact O-N 3.09Å; P356-T358 PolarHBondContact O-OG1 2.99Å
357N94.9Very high96.5Very high99 Ų9951.6 Ų51.653%0.52928%0.281SS..THydrogen-bonded Turntrans59.612-176.7-53.4-64.3000114.8Q219 Y220Q219-N357 PolarHBondContact NE2-O 2.82Å; Y220-N357 PolarHBondContact O-N 3.09Å
358T97.8Very high95.7Very high74 Ų7452 Ų5245%0.45427%0.274SS..  trans-117132.9179-54.20000110.5S355 P356 V360S355-T358 VanDerWaalsContact O-CB 3.31Å; S355-T358 WeakPolarHBondContact O-CB 3.33Å; S355-T358 PolarHBondContact O-N 2.98Å; S355-T358 VanDerWaalsContact O-N 3.16Å; P356-T358 PolarHBondContact O-N 3.47Å; P356-T358 VanDerWaalsContact O-N 3.09Å; P356-T358 PolarHBondContact O-OG1 2.99Å; T358-V360 PolarHBondContact O-N 3.36Å
359W98.2Very high94.8Very high96 Ų9652.2 Ų52.236%0.36428%0.276SS..  trans-72.5124.6170-74.798.9000110.2A217 L218 Q219 H237 W239 T288A217-W359 HydrophobicContact CB-CE3 3.64Å; A217-W359 HydrophobicContact CB-CZ3 4.21Å; A217-W359 WeakPolarHBondContact O-CZ3 3.2Å; L218-W359 WeakPolarHBondContact O-CA 3.16Å; Q219-W359 HydrophobicContact CB-CD2 3.73Å; Q219-W359 HydrophobicContact CB-CE3 3.72Å; Q219-W359 HydrophobicContact CB-CG 4.24Å; Q219-W359 HydrophobicContact CB-CH2 4.33Å; Q219-W359 HydrophobicContact CB-CZ2 4.3Å; Q219-W359 HydrophobicContact CB-CZ3 4.03Å; H237-W359 HydrophobicContact CB-CH2 3.58Å; H237-W359 HydrophobicContact CB-CZ2 4.13Å; H237-W359 HydrophobicContact CB-CZ3 4.18Å; W239-W359 HydrophobicContact CB-CE3 4.37Å; W239-W359 HydrophobicContact CB-CH2 3.78Å; W239-W359 HydrophobicContact CB-CZ3 3.53Å; W239-W359 HydrophobicContact CE3-CE3 4.49Å; T288-W359 HydrophobicContact CG2-CH2 4.07Å
360V98.2Very high93.2Very high4 Ų455 Ų552%0.02429%0.29CS..EExtended strand (participates in β ladder)trans-111.6127.3172.7-60.70000109A217 L218 L348 K351 M352 T358A217-V360 CarbonylContact C-O 3.53Å; A217-V360 WeakPolarHBondContact CA-O 3.37Å; A217-V360 WeakPolarHBondContact CB-O 3.29Å; L218-V360 HydrophobicContact CB-CG2 4.1Å; L218-V360 PolarHBondContact N-O 3.35Å; L218-V360 WeakPolarHBondContact O-CG2 3.37Å; L218-V360 PolarHBondContact O-N 3.07Å; L348-V360 HydrophobicContact CD1-CB 4.29Å; L348-V360 HydrophobicContact CD1-CG2 3.84Å; K351-V360 HydrophobicContact CB-CG1 4.32Å; K351-V360 HydrophobicContact CD-CB 4.1Å; K351-V360 HydrophobicContact CD-CG1 4Å; K351-V360 HydrophobicContact CG-CB 4.23Å; K351-V360 HydrophobicContact CG-CG1 3.75Å; M352-V360 HydrophobicContact CB-CG2 3.53Å; M352-V360 HydrophobicContact CG-CG2 4.23Å; T358-V360 PolarHBondContact O-N 3.36Å
361E98.2Very high91.2Very high88 Ų8857.4 Ų57.441%0.41130%0.304SS..EExtended strand (participates in β ladder)trans-116.8143.7-171.2178168.7179.100111.4K215 L216 A217 K241K215-E361 WeakPolarHBondContact CE-OE1 3.17Å; K215-E361 IonicContact NZ-OE1 3.92Å; L216-E361 WeakPolarHBondContact O-CA 3.11Å; A217-E361 HydrophobicContact CB-CB 4.1Å; K241-E361 IonicContact NZ-OE1 3.74Å; K241-E361 PolarHBondContact NZ-OE1 2.77Å; K241-E361 IonicContact NZ-OE2 3.33Å; K241-E361 PolarHBondContact NZ-OE2 3.29Å
362A98Very high88.6Confident26 Ų2652.5 Ų52.522%0.21529%0.286CS..EExtended strand (participates in β ladder)trans-151.5161.6170.500000111.8K215 L216 L348 L364K215-A362 WeakPolarHBondContact CA-O 3.47Å; L216-A362 PolarHBondContact N-O 2.97Å; L216-A362 PolarHBondContact O-N 3.33Å; L216-A362 VanDerWaalsContact O-O 3.13Å; L348-A362 HydrophobicContact CD1-CB 3.88Å; L348-A362 HydrophobicContact CD2-CB 4.08Å; L348-A362 HydrophobicContact CG-CB 4.38Å; A362-L364 HydrophobicContact CB-CD2 4.33Å; A362-L364 HydrophobicContact CB-CG 4.28Å
363T98.1Very high85.7Confident59 Ų5957.5 Ų57.536%0.36231%0.308SS..EExtended strand (participates in β ladder)trans-110120.9164.8-59.20000107.1E213 M214E213-T363 HydrophobicContact CB-CG2 3.7Å; E213-T363 HydrophobicContact CG-CG2 4.41Å; E213-T363 VanDerWaalsContact OE2-CG2 3.23Å; E213-T363 WeakPolarHBondContact OE2-CG2 3.21Å; M214-T363 WeakPolarHBondContact O-CA 3.17Å
364L97.1Very high82.8Confident4 Ų461.9 Ų61.92%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-120.2138.1-174.5-63.6176.2000110.8E213 M214 L216 L322 I324 E344 E345 L348 A362 L366E213-L364 CarbonylContact C-O 3.39Å; E213-L364 WeakPolarHBondContact CA-O 3.19Å; M214-L364 PolarHBondContact N-O 3.03Å; M214-L364 PolarHBondContact O-N 3.47Å; L216-L364 HydrophobicContact CD2-CD1 4.24Å; L322-L364 HydrophobicContact CD1-CB 3.81Å; L322-L364 HydrophobicContact CD1-CD1 4.07Å; L322-L364 HydrophobicContact CD2-CB 3.79Å; L322-L364 HydrophobicContact CG-CB 4.47Å; I324-L364 HydrophobicContact CD1-CD1 3.96Å; I324-L364 HydrophobicContact CG1-CD1 4.27Å; E344-L364 HydrophobicContact CB-CD2 3.63Å; E345-L364 HydrophobicContact CG-CD1 4.06Å; L348-L364 HydrophobicContact CD2-CD1 3.82Å; A362-L364 HydrophobicContact CB-CD2 4.33Å; A362-L364 HydrophobicContact CB-CG 4.28Å; L364-L366 PolarHBondContact O-N 3.1Å
365P95Very high79.7Confident63 Ų6361.3 Ų61.341%0.40934%0.335SS..EExtended strand (participates in β ladder)trans-69.4129.5178.928.4-34000110.8L322 E344L322-P365 WeakPolarHBondContact CD2-O 3.34Å; E344-P365 VanDerWaalsContact OE2-CD 3.29Å; E344-P365 WeakPolarHBondContact OE2-CD 3.41Å
366L94.1Very high76.4Confident9 Ų972.4 Ų72.45%0.04738%0.379CS..  trans-69.1137.8176.3-67.7171.9000110R211 G212 M214 L246 V308 L322 L364R211-L366 HydrophobicContact CB-CB 3.84Å; R211-L366 WeakPolarHBondContact CB-O 3.21Å; R211-L366 WeakPolarHBondContact O-CD1 3.42Å; G212-L366 WeakPolarHBondContact O-CB 3.48Å; G212-L366 PolarHBondContact O-N 3.22Å; M214-L366 HydrophobicContact CB-CD2 4.01Å; M214-L366 HydrophobicContact CB-CG 4.42Å; M214-L366 HydrophobicContact CE-CD2 4.22Å; L246-L366 HydrophobicContact CD2-CD1 3.42Å; L246-L366 VanDerWaalsContact CD2-CD1 3.42Å; V308-L366 HydrophobicContact CG2-CD1 3.87Å; V308-L366 HydrophobicContact CG2-CD2 3.89Å; L322-L366 HydrophobicContact CD2-CD2 4.27Å; L322-L366 HydrophobicContact CG-CD2 3.99Å; L364-L366 PolarHBondContact O-N 3.1Å
367R89.8Confident75.6Confident45 Ų4573.2 Ų73.217%0.1738%0.379CS..BIsolated β-bridgetrans-124162.6179.351.8177.4-171.2107.4-14.2111.7G320 G321 D340 E345 L369G320-R367 CarbonylContact C-O 3.59Å; G320-R367 WeakPolarHBondContact CA-O 3.44Å; G321-R367 PolarHBondContact N-O 2.83Å; G321-R367 WeakPolarHBondContact O-CG 3.15Å; G321-R367 PolarHBondContact O-N 2.83Å; D340-R367 PolarHBondContact O-NH2 3.41Å; D340-R367 IonicContact OD1-CZ 2.79Å; D340-R367 IonicContact OD1-NH1 2.91Å; D340-R367 IonicContact OD1-NH2 3.16Å; D340-R367 PolarHBondContact OD1-NH2 3.08Å; D340-R367 IonicContact OD2-CZ 3.31Å; D340-R367 IonicContact OD2-NH1 3.95Å; D340-R367 PolarHBondContact OD2-NH1 3.08Å; D340-R367 IonicContact OD2-NH2 3.94Å; E345-R367 IonicContact OE1-CZ 2.87Å; E345-R367 IonicContact OE1-NE 2.91Å; E345-R367 PolarHBondContact OE1-NE 2.81Å; E345-R367 IonicContact OE1-NH2 3.68Å; E345-R367 IonicContact OE2-CZ 3.52Å; E345-R367 IonicContact OE2-NE 2.71Å; E345-R367 PolarHBondContact OE2-NE 2.85Å; E345-R367 IonicContact OE2-NH2 3.4Å; E345-R367 PolarHBondContact OE2-NH2 3.19Å; R367-L369 HydrophobicContact CG-CD2 3.81Å; R367-L369 PolarHBondContact O-N 2.99Å
368M81.4Confident74.6Confident60 Ų6071.8 Ų71.830%0.29637%0.371SS..  trans-72.5124.8166.1-74.6-62.2-61.100108.5Y61 R211 F318Y61-M368 HydrophobicContact CG-CE 4.29Å; R211-M368 PolarHBondContact NH1-SD 3.49Å; F318-M368 HydrophobicContact CD1-CE 3.98Å; F318-M368 HydrophobicContact CD1-SD 3.92Å; F318-M368 HydrophobicContact CE1-CE 3.98Å; F318-M368 HydrophobicContact CE1-SD 3.71Å
369L79.6Confident73.3Confident13 Ų1371.7 Ų71.77%0.06837%0.366CS..  trans-98.7138.8177.1-57.5-175.3000110.7E305 T307 F318 R323 R367 I371E305-L369 HydrophobicContact CG-CD1 3.95Å; T307-L369 HydrophobicContact CG2-CD1 3.97Å; F318-L369 HydrophobicContact CZ-CB 4.36Å; F318-L369 HydrophobicContact CZ-CG 4.34Å; R323-L369 HydrophobicContact CG-CD1 4.07Å; R323-L369 HydrophobicContact CG-CD2 4.18Å; R367-L369 HydrophobicContact CG-CD2 3.81Å; R367-L369 PolarHBondContact O-N 2.99Å; L369-I371 PolarHBondContact O-N 2.73Å
370L63.8Low71.8Confident58 Ų5870.2 Ų70.230%0.30437%0.367SS..  trans-75.9107.5164.9-66.8170000107.5A202 R323 A372A202-L370 HydrophobicContact CB-CD1 4.33Å; R323-L370 VanDerWaalsContact CZ-O 3.32Å; R323-L370 PolarHBondContact NH1-O 3.07Å; R323-L370 PolarHBondContact NH2-O 3.34Å; L370-A372 PolarHBondContact O-N 3.02Å
371I55.8Low70.1Confident134 Ų13474.4 Ų74.469%0.68739%0.388SS*.PPolyproline II helixtrans-54.1119-177.5-60.2173.4000109.7L369 K373L369-I371 PolarHBondContact O-N 2.73Å; I371-K373 PolarHBondContact O-N 3.37Å
372A43.7Very low68.3Low15 Ų1573.5 Ų73.512%0.12439%0.386CS..PPolyproline II helixtrans-53.6127.3-178.800000110.3L263 W338 L370 L374L263-A372 HydrophobicContact CD1-CB 4.36Å; W338-A372 HydrophobicContact CB-CB 3.87Å; W338-A372 HydrophobicContact CG-CB 4.04Å; L370-A372 PolarHBondContact O-N 3.02Å; A372-L374 PolarHBondContact O-N 3.12Å
373K36.7Very low66.2Low104 Ų10476.9 Ų76.945%0.45240%0.399SS..PPolyproline II helixtrans-65.2132.6174-83.4179.51731700109.6D64 I371 S375D64-K373 WeakPolarHBondContact OD1-CE 3.25Å; D64-K373 IonicContact OD1-NZ 3.89Å; D64-K373 PolarHBondContact OD1-NZ 3.27Å; I371-K373 PolarHBondContact O-N 3.37Å; K373-S375 VanDerWaalsContact C-N 3.31Å; K373-S375 PolarHBondContact O-N 3.21Å
374L33.3Very low63.7Low123 Ų12378.2 Ų78.264%0.64440%0.402SS*.  trans-65.596.6152.9-76.9155.8000106.5T266 A372 K376T266-L374 WeakPolarHBondContact OG1-CD2 3.3Å; A372-L374 PolarHBondContact O-N 3.12Å; L374-K376 PolarHBondContact O-N 2.97Å
375S30.8Very low60.9Low116 Ų11684.4 Ų84.481%0.81143%0.433SS*.  trans-64.6124.5155.451.90000106.4K373K373-S375 VanDerWaalsContact C-N 3.31Å; K373-S375 PolarHBondContact O-N 3.21Å
376K27.2Very low57.8Low273 Ų27386.4 Ų86.4100%1.18744%0.435SS*.  trans-89.80169.5-97.7-169176.6-172.80109.4L374L374-K376 PolarHBondContact O-N 2.97Å

Retrieved 376 of 376 residues in 1430.3 ms (Link to these results)