G7NVT9_MACFA Loading...

Complement C1q C chain

AlphaFold DB , UniProt , Accession G7NVT9, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene C1QC, Length 239 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M39.9Very low49.3Very low241 Ų241139.8 Ų139.8100%1.18782%0.822SS**  0100.40-70.5178.417600105.9
2D37.2Very low50.8Low170 Ų170132.5 Ų132.591%0.90980%0.799SS**  trans-66.5132.2-174.1-112.3-83.4000111.5
3V45.7Very low52.2Low138 Ų138130.5 Ų130.584%0.83678%0.78SS**  trans-93.5100.8175.2-1760000107.5
4G40.9Very low53.5Low62 Ų62131.4 Ų131.464%0.63977%0.769SS**  trans-68.9143.217700000112.6
5P50Low54.7Low129 Ų129130.1 Ų130.184%0.83876%0.757SS**  trans-78.4135.8-173.530.9-32.3000112S7P5-S7 PolarHBondContact O-N 3.23Å
6S50.2Low55.8Low118 Ų118128.5 Ų128.583%0.82574%0.743SS**  trans-61.3112.7174.3440000112.6L8S6-L8 PolarHBondContact O-N 3.09Å
7S51.5Low56.6Low118 Ų118127.1 Ų127.183%0.82573%0.732SS**  trans-90.686.6169.461.50000111.5P5P5-S7 PolarHBondContact O-N 3.23Å
8L55.7Low57.3Low162 Ų162126.7 Ų126.785%0.84873%0.726SS**  trans-108.4133.6148.1-118.679.2000105.2S6S6-L8 PolarHBondContact O-N 3.09Å
9P54.1Low57.7Low105 Ų105125.7 Ų125.768%0.68272%0.718SS**  -160.678.563.438.4-13.5000113.8
10H57.4Low58Low145 Ų145126.2 Ų126.267%0.67172%0.717SS**Hα-helixtrans-92.8-22.2179.7-128.1-42.3000114.4K14H10-K14 WeakPolarHBondContact O-CG 3.44Å
11L59.7Low58.1Low150 Ų150126.5 Ų126.579%0.78572%0.716SS**Hα-helixtrans-83-37.6-174.1-141.774.8000112.6K14 L15L11-K14 PolarHBondContact O-N 3.47Å; L11-L15 PolarHBondContact O-N 3.31Å; L11-L15 VanDerWaalsContact O-N 3.09Å
12G66.9Low59.3Low52 Ų52120.6 Ų120.654%0.53669%0.689SS.*Hα-helixtrans-65.9-42179.700000113K14 L15 L16G12-K14 VanDerWaalsContact C-N 3.34Å; G12-K14 PolarHBondContact O-N 3.4Å; G12-L15 PolarHBondContact O-N 3.33Å; G12-L16 PolarHBondContact O-N 3.43Å
13L69.1Low60Low107 Ų107117.5 Ų117.556%0.5668%0.678SS**Hα-helixtrans-67-36.1178.1-170.465.2000112L16 L17L13-L16 PolarHBondContact O-N 3.45Å; L13-L17 PolarHBondContact O-N 3.5Å
14K71.4Confident60.6Low143 Ų143119.5 Ų119.562%0.62268%0.683SS**Hα-helixtrans-67.4-37.5175.3-77.3-173.4176.3-169.20112.4H10 L11 G12 L17 L18H10-K14 WeakPolarHBondContact O-CG 3.44Å; L11-K14 PolarHBondContact O-N 3.47Å; G12-K14 VanDerWaalsContact C-N 3.34Å; G12-K14 PolarHBondContact O-N 3.4Å; K14-L17 PolarHBondContact O-N 3.42Å; K14-L18 PolarHBondContact O-N 3.49Å; K14-L18 VanDerWaalsContact O-N 3.09Å
15L71.4Confident61.1Low112 Ų112127.2 Ų127.259%0.58669%0.693SS**Hα-helixtrans-70.2-37.7177.4-166.766.3000112L11 G12 L18 L19L11-L15 PolarHBondContact O-N 3.31Å; L11-L15 VanDerWaalsContact O-N 3.09Å; G12-L15 PolarHBondContact O-N 3.33Å; L15-L18 PolarHBondContact O-N 3.09Å; L15-L19 PolarHBondContact O-N 3.04Å
16L71.4Confident61.2Low104 Ų104124.4 Ų124.455%0.54569%0.688SS.*Hα-helixtrans-66.4-39.3174.7-166.272.2000112G12 L13 L18 L19 L20G12-L16 PolarHBondContact O-N 3.43Å; L13-L16 PolarHBondContact O-N 3.45Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L19 PolarHBondContact O-N 3.03Å; L16-L20 WeakPolarHBondContact O-CG 3.49Å; L16-L20 PolarHBondContact O-N 3.49Å
17L70.3Confident61.1Low105 Ų105126.4 Ų126.455%0.5568%0.684SS.*Hα-helixtrans-66.6-34.7175.3-129.480.2000112.5L13 K14 L19 L20 L21L13-L17 PolarHBondContact O-N 3.5Å; K14-L17 PolarHBondContact O-N 3.42Å; L17-L19 VanDerWaalsContact C-N 3.35Å; L17-L20 PolarHBondContact O-N 3.27Å; L17-L21 WeakPolarHBondContact O-CG 3.26Å; L17-L21 PolarHBondContact O-N 3.36Å
18L68.1Low61.2Low119 Ų119125 Ų12562%0.62368%0.679SS**Hα-helixtrans-68.1-34.7178.3-148.684.6000112.2K14 L15 L16 L21K14-L18 PolarHBondContact O-N 3.49Å; K14-L18 VanDerWaalsContact O-N 3.09Å; L15-L18 PolarHBondContact O-N 3.09Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L18-L21 PolarHBondContact O-N 3.09Å
19L66Low60.6Low108 Ų108124.4 Ų124.457%0.56568%0.677SS**Hα-helixtrans-72.7-30.6176.3-76.3161.9000112.5L15 L16 L17 L21 L22L15-L19 PolarHBondContact O-N 3.04Å; L16-L19 PolarHBondContact O-N 3.03Å; L17-L19 VanDerWaalsContact C-N 3.35Å; L19-L21 VanDerWaalsContact C-N 3.3Å; L19-L21 PolarHBondContact O-N 3.23Å; L19-L22 HydrophobicContact CD2-CD1 4.11Å
20L64.1Low60.4Low135 Ų135125.9 Ų125.971%0.70768%0.684SS**Hα-helixtrans-76.2-13.8175.7-72.1165.8000113.8L16 L17L16-L20 WeakPolarHBondContact O-CG 3.49Å; L16-L20 PolarHBondContact O-N 3.49Å; L17-L20 PolarHBondContact O-N 3.27Å
21L59.9Low59.7Low134 Ų134121.9 Ų121.970%0.70268%0.682SS**THydrogen-bonded Turntrans-92.3-2.2176.3-72.9168.3000113.7L17 L18 L19 P23L17-L21 WeakPolarHBondContact O-CG 3.26Å; L17-L21 PolarHBondContact O-N 3.36Å; L18-L21 PolarHBondContact O-N 3.09Å; L19-L21 VanDerWaalsContact C-N 3.3Å; L19-L21 PolarHBondContact O-N 3.23Å; L21-P23 VanDerWaalsContact O-CD 3.26Å; L21-P23 WeakPolarHBondContact O-CD 3.47Å
22L64.1Low59.1Low117 Ų117120.6 Ų120.661%0.61369%0.685SS**SBendtrans-73.4115.1171.5-73.3164000108.7L19 L24L19-L22 HydrophobicContact CD2-CD1 4.11Å; L22-L24 PolarHBondContact O-N 3.37Å
23P51.2Low58.4Low105 Ų105129.2 Ų129.268%0.68270%0.703SS**  trans-66.511317228.3-30.7000107.1L21 R25L21-P23 VanDerWaalsContact O-CD 3.26Å; L21-P23 WeakPolarHBondContact O-CD 3.47Å; P23-R25 PolarHBondContact O-N 3.47Å
24L59.3Low57.4Low179 Ų179127.7 Ų127.794%0.93771%0.713SS**  trans-62.588.3158-77.7165.2000106.4L22 G26L22-L24 PolarHBondContact O-N 3.37Å; L24-G26 PolarHBondContact O-N 3.5Å
25R51.3Low56.3Low224 Ų224128.4 Ų128.485%0.84572%0.722SS**  trans-67.481.9163.1-93.1-173.6175.1173.4-0.5107.2P23 Q27P23-R25 PolarHBondContact O-N 3.47Å; R25-Q27 PolarHBondContact O-N 3.39Å
26G52.9Low55.7Low71 Ų71128.5 Ų128.573%0.73273%0.729SS**  trans-59.8117.7148.600000107.5L24L24-G26 PolarHBondContact O-N 3.5Å
27Q47.1Very low55.1Low160 Ų160127.1 Ų127.175%0.74874%0.739SS**  trans-135.295.5154.8-110.9177.6-19.400107.2R25R25-Q27 PolarHBondContact O-N 3.39Å
28A52.9Low54.2Low87 Ų87130.5 Ų130.572%0.71976%0.755SS**  trans-53.8130.1142.800000107.4
29N44.2Very low54.2Low151 Ų151130.8 Ų130.881%0.80776%0.764SS**  trans-136.984.8154.6-113.115.1000108.1
30T50.3Low54Low135 Ų135129 Ų12983%0.82877%0.772SS**  trans-44136.5149-36.80000109.8
31G42.9Very low53.6Low62 Ų62130.6 Ų130.664%0.63978%0.78SS**  trans169.964.717200000112.2Y33G31-Y33 PolarHBondContact O-N 3.02Å
32C46.2Very low53.9Low123 Ų123129.9 Ų129.983%0.83178%0.783SS**PPolyproline II helixtrans-48.8132.9161.3-62.60000109G34C32-G34 PolarHBondContact O-N 2.79Å
33Y53.1Low53.8Low233 Ų233127.7 Ų127.791%0.91479%0.789SS**PPolyproline II helixtrans-51.1126.9174.7-67.1-87.7000109.9G31 I35G31-Y33 PolarHBondContact O-N 3.02Å; Y33-I35 PolarHBondContact O-N 3.48Å
34G48Very low54.1Low75 Ų75127.2 Ų127.277%0.77379%0.794SS**PPolyproline II helixtrans-56.4133.8-179.700000111.5C32C32-G34 PolarHBondContact O-N 2.79Å
35I47.1Very low54.4Low158 Ų158124.7 Ų124.781%0.8179%0.789SS**PPolyproline II helixtrans-59.8141.1173.4-54.5166.7000107.9Y33 G37Y33-I35 PolarHBondContact O-N 3.48Å; I35-G37 PolarHBondContact O-N 3.33Å
36P59.5Low55.1Low114 Ų114117.4 Ų117.474%0.7478%0.783SS**PPolyproline II helixtrans-48.4139.5172.5-27.234.5000111.6M38P36-M38 PolarHBondContact O-N 2.78Å
37G57.9Low55.6Low74 Ų74123.3 Ų123.376%0.76379%0.789SS**PPolyproline II helixtrans-54.8138.9173.900000110.5I35I35-G37 PolarHBondContact O-N 3.33Å
38M52.5Low56.5Low176 Ų176123.2 Ų123.287%0.86779%0.793SS**PPolyproline II helixtrans-60.4150.6178.8-62-171.4-54.900110.6P36P36-M38 PolarHBondContact O-N 2.78Å
39P66.9Low56.8Low125 Ų125122.5 Ų122.581%0.81279%0.794SS**PPolyproline II helixtrans-49.7147169.5-25.434.1000111.8
40G62.5Low57.7Low72 Ų72124 Ų12474%0.74280%0.796SS**PPolyproline II helixtrans-57.6149.6175.700000112
41L55.8Low58.3Low167 Ų167125.4 Ų125.487%0.87480%0.799SS**PPolyproline II helixtrans-61.6145177.4-68.6167000110.5
42P65.4Low59.1Low119 Ų119125.9 Ų125.977%0.77380%0.804SS**PPolyproline II helixtrans-52.9148.3170.4-24.934.1000112
43G63.7Low59.9Low72 Ų72128 Ų12874%0.74281%0.806SS**PPolyproline II helixtrans-59.1152.4175.700000112.4
44A56.3Low60.6Low95 Ų95122.8 Ų122.879%0.78580%0.801SS**PPolyproline II helixtrans-61147.9178.600000111.6
45P66.3Low61.4Low126 Ų126122.4 Ų122.482%0.81880%0.797SS**PPolyproline II helixtrans-54.2149.7172.2-24.534.2000112.3
46G66.3Low62.3Low71 Ų71121.2 Ų121.273%0.73280%0.799SS**PPolyproline II helixtrans-61.5154.7173.100000112
47K62.9Low62.9Low195 Ų195125.8 Ų125.885%0.84881%0.807SS**PPolyproline II helixtrans-63.4148.1174.157.2179.4178.4175.40111.8
48D65Low63.3Low157 Ų157125.4 Ų125.484%0.8480%0.804SS**PPolyproline II helixtrans-59.5150.4175.2-62.9-31.8000111.7
49G60.9Low64Low72 Ų72126 Ų12674%0.74281%0.805SS**PPolyproline II helixtrans-67.6160.1175.600000112.5
50H61.3Low64.3Low184 Ų184126.1 Ų126.185%0.85281%0.805SS**PPolyproline II helixtrans-72.6150.8173.8-65.9-59.8000111.9
51D63Low64.6Low163 Ų163126.2 Ų126.287%0.87281%0.807SS**PPolyproline II helixtrans-57.8145.4175.2-66.1-27.2000111.9
52G59.8Low65Low73 Ų73126.1 Ų126.175%0.75381%0.805SS**PPolyproline II helixtrans-66.6155175.700000112.9
53L62.9Low65.1Low168 Ų168126.1 Ų126.188%0.8881%0.805SS**PPolyproline II helixtrans-67.9147.8175.7-65.2172.6000111.6
54P69.4Low65.2Low123 Ų123127.3 Ų127.380%0.79981%0.808SS**PPolyproline II helixtrans-57.6142.3173.4-23.533.4000112.6
55G64.3Low65.3Low67 Ų67130.6 Ų130.669%0.69181%0.811SS**PPolyproline II helixtrans-65.8158.2178.700000113.7
56P65.5Low65.1Low133 Ų133130.4 Ų130.486%0.86481%0.81SS**PPolyproline II helixtrans-66.9152177.928.4-34.3000112.2
57K71.5Confident64.9Low209 Ų209130.8 Ų130.891%0.90981%0.813SS**PPolyproline II helixtrans-67137176-173.8178.3179.4-179.90110.5
58G67.9Low64.5Low67 Ų67128.7 Ų128.769%0.69182%0.817SS**PPolyproline II helixtrans-64.1155.9178.800000114.1
59E67.4Low63.9Low188 Ų188133.2 Ų133.288%0.87982%0.822SS**PPolyproline II helixtrans-72.5149.8-178.5-63.3-175.115800112.8
60P73.1Confident63.5Low127 Ų127132.6 Ų132.683%0.82582%0.816SS**PPolyproline II helixtrans-64.5144.5174.3-19.832.5000113.2
61G69Low63Low75 Ų75130.6 Ų130.677%0.77382%0.819SS**PPolyproline II helixtrans-68.1153.4176.800000113.9
62I62.5Low62.4Low165 Ų165133.3 Ų133.385%0.84682%0.823SS**PPolyproline II helixtrans-75.9135.8-175.1-51.2168.2000110.6
63P68.3Low62.1Low118 Ų118133.2 Ų133.277%0.76682%0.822SS**PPolyproline II helixtrans-64.8142.9175.7-20.332.2000113.4
64A65.8Low61.5Low98 Ų98134.7 Ų134.781%0.8183%0.825SS**PPolyproline II helixtrans-76.5145.4179.100000113.1
65I57.4Low60.7Low163 Ų163139.2 Ų139.284%0.83683%0.832SS**PPolyproline II helixtrans-77.7131.7178.2-55.9167.3000109.5G67I65-G67 PolarHBondContact O-N 3.25Å
66P62.3Low60.6Low123 Ų123139 Ų13980%0.79983%0.83SS**PPolyproline II helixtrans-67.6130.1177.9-19.732000112.9
67G63.5Low60.3Low78 Ų78141.5 Ų141.580%0.80483%0.83SS**PPolyproline II helixtrans-81.3152.6173.100000113.5I65I65-G67 PolarHBondContact O-N 3.25Å
68T52.8Low60.1Low151 Ų151137.7 Ų137.793%0.92683%0.827SS**PPolyproline II helixtrans-75.7149.5178.846.40000112.7
69R53.4Low60Low252 Ų252138 Ų13895%0.95183%0.83SS**PPolyproline II helixtrans-83.7124.5-165.4-177.8177.8178.5169.5-2.2113.6
70G53.3Low59.8Low59 Ų59135.2 Ų135.261%0.60883%0.825SS**  trans-107.8160.5162.700000112.8
71P51Low59.7Low142 Ų142134.8 Ų134.892%0.92282%0.823SS**  trans-76.4158.3-168.530.4-33.9000114.9
72K48.9Very low59.7Low221 Ų221134.6 Ų134.696%0.96182%0.821SS**  trans-82.3130.3-156.3-168-179.9-175.6-177.80114.3
73G54.3Low59.8Low71 Ų71135.4 Ų135.473%0.73282%0.821SS**  trans-149.3135.116700000112.5
74Q49.3Very low59.8Low199 Ų199135.8 Ų135.893%0.9382%0.823SS**  trans21.7131.3177.9-61.3-169.93600121.4G76Q74-G76 PolarHBondContact O-N 3.39Å; Q74-G76 VanDerWaalsContact O-N 3.09Å
75K52.3Low59.9Low217 Ų217134.4 Ų134.494%0.94382%0.819SS**  trans-64.8103.9-179.3-173.3-177.8-173.6-176.30110.6
76G62.4Low60.4Low63 Ų63136.6 Ų136.665%0.64982%0.822SS**PPolyproline II helixtrans-69.7154.5170.600000112.4Q74Q74-G76 PolarHBondContact O-N 3.39Å; Q74-G76 VanDerWaalsContact O-N 3.09Å
77E60.2Low60.8Low185 Ų185138.4 Ų138.486%0.86483%0.825SS**PPolyproline II helixtrans-57.4148.7174.3-62.8-170.5136.100111.3G79E77-G79 PolarHBondContact O-N 3.44Å
78P67.3Low61.2Low130 Ų130137.7 Ų137.784%0.84482%0.818SS**PPolyproline II helixtrans-55.1126.7175.7-21.732.2000110.6
79G66.6Low62Low73 Ų73136.8 Ų136.875%0.75381%0.814SS**PPolyproline II helixtrans-59142.3176.800000111.3E77E77-G79 PolarHBondContact O-N 3.44Å
80T63.2Low62.7Low129 Ų129133.6 Ų133.679%0.79181%0.812SS**PPolyproline II helixtrans-55.5140.1174.5480000110.7G82T80-G82 PolarHBondContact O-N 3.44Å
81P70.8Confident63.7Low118 Ų118133.3 Ų133.377%0.76681%0.81SS**PPolyproline II helixtrans-50.9139.3174.4-26.234000111.8
82G67.9Low64.7Low72 Ų72132.5 Ų132.574%0.74280%0.804SS**PPolyproline II helixtrans-59.4145.5175.700000111.3T80T80-G82 PolarHBondContact O-N 3.44Å
83H64.1Low65.8Low182 Ų182128 Ų12884%0.84380%0.798SS**PPolyproline II helixtrans-60.6143.7176.7-6777.5000110.2G85H83-G85 PolarHBondContact O-N 3.46Å
84P68.9Low66.9Low125 Ų125128 Ų12881%0.81280%0.799SS**PPolyproline II helixtrans-52.3141172.6-25.233.8000111.3
85G69.1Low68.2Low69 Ų69127.2 Ų127.271%0.71180%0.797SS**PPolyproline II helixtrans-56.9145.5175.100000111.2H83H83-G85 PolarHBondContact O-N 3.46Å
86K66.9Low69.2Low209 Ų209122.9 Ų122.991%0.90979%0.791SS**PPolyproline II helixtrans-61.4139.8175.3-66.3-177.9179-179.80109.6
87N69.8Low69.8Low161 Ų161123.3 Ų123.386%0.86180%0.796SS**PPolyproline II helixtrans-56141.3173.2-68.1-16.2000110.1
88G71.9Confident70.7Confident63 Ų63121.2 Ų121.265%0.64980%0.795SS**PPolyproline II helixtrans-61.9160.1174.800000112.2
89P69.7Low71.2Confident132 Ų132120.9 Ų120.986%0.85779%0.793SS**PPolyproline II helixtrans-61.5147175.927.3-33.8000110.9
90M68.1Low71.9Confident185 Ų185120.4 Ų120.491%0.91179%0.788SS**PPolyproline II helixtrans-61.4137.9173.4-174.6162.662.300110
91G74.3Confident72.8Confident54 Ų54120.5 Ų120.556%0.55779%0.791SS**PPolyproline II helixtrans-62.1159.1177.600000112.6
92P73.6Confident73Confident124 Ų124123.9 Ų123.981%0.80580%0.799SS**PPolyproline II helixtrans-64.4152.3177.127.9-34.1000111.4
93P71.6Confident73.6Confident126 Ų126123.4 Ų123.482%0.81879%0.794SS**PPolyproline II helixtrans-56.2144.9171.6-23.333.5000112.1
94G77.2Confident74.6Confident73 Ų73122.6 Ų122.675%0.75379%0.794SS**PPolyproline II helixtrans-62.4156.6173.300000112.3
95M76.5Confident75.4Confident182 Ų182122.5 Ų122.590%0.89779%0.793SS**PPolyproline II helixtrans-66.7146.7176.2-60.2-173.388.800110.8
96P72.6Confident76Confident125 Ų125122.6 Ų122.681%0.81280%0.795SS**PPolyproline II helixtrans-55.8141.2171.8-23.833.5000111.8
97G75.9Confident76.9Confident73 Ų73121.6 Ų121.675%0.75379%0.793SS**PPolyproline II helixtrans-62.2149.8173.800000111.9
98V78.7Confident77.4Confident140 Ų140119.8 Ų119.885%0.84879%0.79SS**PPolyproline II helixtrans-64.6139.8174.1-89.60000110.9G100V98-G100 PolarHBondContact O-N 3.48Å
99P77.8Confident77.4Confident124 Ų124120.4 Ų120.481%0.80580%0.797SS**PPolyproline II helixtrans-54139.3172.3-25.534.3000111.4
100G80.8Confident77.7Confident63 Ų63123.4 Ų123.465%0.64980%0.799SS**PPolyproline II helixtrans-60.5155.7174.800000111.8V98V98-G100 PolarHBondContact O-N 3.48Å
101P82.3Confident77.7Confident131 Ų131123.1 Ų123.185%0.85180%0.796SS**PPolyproline II helixtrans-61147.8175.926.8-33.9000111G103P101-G103 PolarHBondContact O-N 3.49Å
102M76.1Confident76.8Confident189 Ų189122.6 Ų122.693%0.93179%0.79SS**PPolyproline II helixtrans-58.4134.7172.1-171.9178.6-68.200109.5
103G80.7Confident76Confident62 Ų62126.9 Ų126.964%0.63979%0.79SS**PPolyproline II helixtrans-60.1151.7174.500000111.5P101P101-G103 PolarHBondContact O-N 3.49Å
104I85.1Confident75.1Confident164 Ų164129 Ų12984%0.84178%0.783SS**PPolyproline II helixtrans-59.7139.717453.9176.7000110.5G106I104-G106 PolarHBondContact O-N 2.92Å
105P84.5Confident74Confident123 Ų123131.8 Ų131.880%0.79977%0.774SS**PPolyproline II helixtrans-55.1139.7169.5-24.534.2000110.7
106G81.5Confident72.9Confident72 Ų72129.3 Ų129.374%0.74276%0.761SS**PPolyproline II helixtrans-62.2151.7172.400000111.2I104I104-G106 PolarHBondContact O-N 2.92Å
107E86Confident72.4Confident187 Ų187131.1 Ų131.187%0.87476%0.756SS**PPolyproline II helixtrans-62.6146.7175-64-166.613800111.1G109E107-G109 PolarHBondContact O-N 2.82Å
108P81.4Confident72.2Confident124 Ų124135.7 Ų135.781%0.80575%0.752SS**PPolyproline II helixtrans-54.5136.7169.8-23.133.5000110.8
109G71.7Confident72.4Confident76 Ų76133.8 Ų133.878%0.78473%0.734SS**PPolyproline II helixtrans-62.2146.4174.200000111.6E107E107-G109 PolarHBondContact O-N 2.82Å
110E75.5Confident72.9Confident195 Ų195129.3 Ų129.391%0.91171%0.705SS**PPolyproline II helixtrans-61.3144.8175.7-67.2-152.7144.900112.2G112E110-G112 PolarHBondContact O-N 3.46Å
111E68.1Low73.4Confident179 Ų179129.5 Ų129.584%0.83669%0.694SS**PPolyproline II helixtrans-61.3124.3174.9-167.5-178-174.300110.6R113E111-R113 PolarHBondContact O-N 2.94Å
112G55.7Low73.9Confident43 Ų43123.6 Ų123.644%0.44365%0.654SS.*  trans-67.795.8-17200000114.7E110 Y114E110-G112 PolarHBondContact O-N 3.46Å; G112-Y114 PolarHBondContact O-N 2.76Å
113R55.4Low74.8Confident214 Ų214116.1 Ų116.181%0.80862%0.619SS**THydrogen-bonded Turntrans-76.9-2171.3-65.8-173.7-179.4-175.41.5114.9E111 K115E111-R113 PolarHBondContact O-N 2.94Å; R113-K115 VanDerWaalsContact C-N 3.33Å; R113-K115 PolarHBondContact O-N 2.95Å
114Y54.1Low75.4Confident170 Ų170113.1 Ų113.167%0.66759%0.589SS**THydrogen-bonded Turntrans-72.4-18-17055.3-93.1000114.7G112G112-Y114 PolarHBondContact O-N 2.76Å
115K53.4Low75.8Confident131 Ų131105.7 Ų105.757%0.5755%0.552SS**THydrogen-bonded Turntrans-84.5-32.4-178.2-67.8-159177.2-170.90114.8R113 K117 Y118 Q119R113-K115 VanDerWaalsContact C-N 3.33Å; R113-K115 PolarHBondContact O-N 2.95Å; K115-K117 VanDerWaalsContact C-N 3.31Å; K115-K117 PolarHBondContact O-N 3.11Å; K115-Y118 PolarHBondContact O-N 2.78Å; K115-Q119 WeakPolarHBondContact O-CG 3.46Å
116Q53.4Low76.2Confident131 Ų131100.8 Ų100.861%0.61252%0.517SS*.G310 helixtrans-66.9-29.9-174.3-92168.2-23.800113.6Y118Q116-Y118 PolarHBondContact O-N 2.83Å
117K61.4Low76.7Confident163 Ų163103.7 Ų103.771%0.70951%0.511SS*.G310 helixtrans-68.7-19.8-179.3-167.1173-178.9-179.90113.8K115K115-K117 VanDerWaalsContact C-N 3.31Å; K115-K117 PolarHBondContact O-N 3.11Å
118Y73.5Confident76.7Confident169 Ų16997.3 Ų97.366%0.66349%0.485SS*.G310 helixtrans-116.511.8-176.8-61.9-77.5000113.4K115 Q116K115-Y118 PolarHBondContact O-N 2.78Å; Q116-Y118 PolarHBondContact O-N 2.83Å
119Q82.6Confident76.8Confident100 Ų10097.8 Ų97.847%0.46748%0.477SS..  trans-107151.4173.8-71.6178-2.300109.7K115 Q148K115-Q119 WeakPolarHBondContact O-CG 3.46Å; Q119-Q148 WeakPolarHBondContact O-CG 3.28Å; Q119-Q148 PolarHBondContact O-NE2 2.99Å; Q119-Q148 VanDerWaalsContact O-NE2 3.14Å
120S87.2Confident77.4Confident30 Ų30101.1 Ų101.121%0.2147%0.472CS..  trans-140.8115.5176.5178.90000106.8D150 Y166S120-D150 WeakPolarHBondContact CB-OD2 3.41Å; S120-D150 PolarHBondContact OG-OD2 2.76Å; S120-Y166 WeakPolarHBondContact CB-OH 3.33Å; S120-Y166 WeakPolarHBondContact OG-CE1 3.44Å; S120-Y166 PolarHBondContact OG-OH 2.87Å
121V91.7Very high77.8Confident67 Ų6794.3 Ų94.341%0.40644%0.444SS..  trans-146.9138.5-17962.60000108.4P147 Q148V121-P147 HydrophobicContact CG1-CG 3.91Å; V121-Q148 PolarHBondContact O-OE1 3.28Å
122F92.8Very high78.7Confident6 Ų686.2 Ų86.23%0.02641%0.408CS..  trans-148.2153.1171.866.7-82.5000109.6V124 T145 N146 Y151 F158 F168 L238 A239F122-V124 HydrophobicContact CD2-CG1 4.31Å; F122-V124 HydrophobicContact CD2-CG2 4.13Å; F122-V124 HydrophobicContact CE2-CG2 4.31Å; F122-T145 CarbonylContact C-O 3.51Å; F122-T145 WeakPolarHBondContact CA-O 3.44Å; F122-N146 HydrophobicContact CB-CB 4.25Å; F122-Y151 HydrophobicContact CD2-CD2 4.19Å; F122-Y151 HydrophobicContact CD2-CG 4.16Å; F122-Y151 AromaticContact CE2-CD2 3.96Å; F122-Y151 HydrophobicContact CE2-CD2 3.96Å; F122-Y151 HydrophobicContact CE2-CG 4.4Å; F122-F158 AromaticContact CD1-CD2 3.54Å; F122-F158 HydrophobicContact CD1-CD2 3.54Å; F122-F158 AromaticContact CD1-CE2 3.73Å; F122-F158 HydrophobicContact CD1-CE2 3.73Å; F122-F158 HydrophobicContact CE1-CB 4.39Å; F122-F158 AromaticContact CE1-CD2 3.16Å; F122-F158 HydrophobicContact CE1-CD2 3.16Å; F122-F158 AromaticContact CE1-CE2 3.54Å; F122-F158 HydrophobicContact CE1-CE2 3.54Å; F122-F158 AromaticContact CE1-CG 3.9Å; F122-F158 HydrophobicContact CE1-CG 3.9Å; F122-F158 HydrophobicContact CZ-CB 4.3Å; F122-F158 AromaticContact CZ-CD2 3.9Å; F122-F158 HydrophobicContact CZ-CD2 3.9Å; F122-F158 HydrophobicContact CZ-CG 4.27Å; F122-F168 HydrophobicContact CE1-CD1 4.35Å; F122-F168 AromaticContact CE1-CE1 3.94Å; F122-F168 HydrophobicContact CE1-CE1 3.94Å; F122-F168 AromaticContact CZ-CD1 3.97Å; F122-F168 HydrophobicContact CZ-CD1 3.97Å; F122-F168 AromaticContact CZ-CE1 3.89Å; F122-F168 HydrophobicContact CZ-CE1 3.89Å; F122-L238 HydrophobicContact CE2-CD2 3.71Å; F122-L238 HydrophobicContact CE2-CG 3.79Å; F122-L238 HydrophobicContact CZ-CD2 4.16Å; F122-L238 HydrophobicContact CZ-CG 4.28Å; F122-A239 WeakPolarHBondContact O-CA 3.37Å
123T94.7Very high80.2Confident32 Ų3287 Ų8720%0.19641%0.409CS..EExtended strand (participates in β ladder)trans-140.5119.9164.7-52.10000106.5L144 T145 I237 L238 A239T123-L144 HydrophobicContact CG2-CB 4.34Å; T123-L144 HydrophobicContact CG2-CD1 3.96Å; T123-L144 WeakPolarHBondContact O-CA 3.01Å; T123-L144 WeakPolarHBondContact O-CB 2.74Å; T123-L144 PolarHBondContact O-N 3.32Å; T123-T145 PolarHBondContact N-O 2.85Å; T123-T145 PolarHBondContact O-N 2.95Å; T123-T145 VanDerWaalsContact O-N 3.1Å; T123-T145 WeakPolarHBondContact OG1-CG2 3.34Å; T123-I237 HydrophobicContact CG2-CG2 3.75Å; T123-L238 CarbonylContact C-O 3.48Å; T123-L238 VanDerWaalsContact CA-O 3.28Å; T123-L238 WeakPolarHBondContact CA-O 3.22Å; T123-A239 HydrophobicContact CG2-CB 4.2Å
124V93.9Very high81.6Confident0 Ų080.5 Ų80.50%040%0.395CS..EExtended strand (participates in β ladder)trans-126.6148-176.7-65.70000110.2F122 F140 A142 V143 Y151 I237 L238F122-V124 HydrophobicContact CD2-CG1 4.31Å; F122-V124 HydrophobicContact CD2-CG2 4.13Å; F122-V124 HydrophobicContact CE2-CG2 4.31Å; V124-F140 HydrophobicContact CB-CB 3.79Å; V124-F140 HydrophobicContact CB-CG 4.44Å; V124-F140 HydrophobicContact CG2-CB 3.52Å; V124-F140 HydrophobicContact CG2-CD1 4.05Å; V124-F140 HydrophobicContact CG2-CD2 4.3Å; V124-F140 HydrophobicContact CG2-CG 3.73Å; V124-A142 CarbonylContact C-O 3.58Å; V124-A142 VanDerWaalsContact CA-O 3.3Å; V124-A142 WeakPolarHBondContact CA-O 3.24Å; V124-A142 WeakPolarHBondContact CB-O 3.48Å; V124-V143 HydrophobicContact CG1-CG2 4.11Å; V124-Y151 HydrophobicContact CB-CD1 4.25Å; V124-Y151 HydrophobicContact CB-CE1 4.19Å; V124-Y151 HydrophobicContact CG1-CD1 3.56Å; V124-Y151 HydrophobicContact CG1-CE1 3.97Å; V124-Y151 HydrophobicContact CG1-CG 3.98Å; V124-Y151 HydrophobicContact CG2-CD1 4.1Å; V124-Y151 HydrophobicContact CG2-CD2 4.13Å; V124-Y151 HydrophobicContact CG2-CE1 3.94Å; V124-Y151 HydrophobicContact CG2-CE2 4.01Å; V124-Y151 HydrophobicContact CG2-CG 4.18Å; V124-I237 CarbonylContact O-C 3.53Å; V124-I237 WeakPolarHBondContact O-CA 3.25Å; V124-L238 HydrophobicContact CG2-CB 3.98Å; V124-L238 PolarHBondContact N-O 3.47Å; V124-L238 PolarHBondContact O-N 3.32Å
125A93.4Very high82.9Confident7 Ų777.1 Ų77.16%0.05839%0.388CS..EExtended strand (participates in β ladder)trans-123.4148.7-178.900000110.6N141 A142 C236A125-N141 PolarHBondContact O-N 3.43Å; A125-A142 HydrophobicContact CB-CB 4.36Å; A125-A142 PolarHBondContact N-O 3.36Å; A125-A142 PolarHBondContact O-N 3.32Å; A125-C236 CarbonylContact C-O 3.54Å; A125-C236 VanDerWaalsContact CA-O 3.28Å; A125-C236 WeakPolarHBondContact CA-O 3.39Å
126R92.6Very high84.5Confident21 Ų2172.4 Ų72.48%0.07937%0.372CS..  trans-95.8104.1169.2-170.9170.5-174.9-81.6-3.6109.2T128 Q130 R139 F140 N141 C236R126-T128 HydrophobicContact CG-CG2 3.88Å; R126-T128 VanDerWaalsContact NH1-CG2 3.31Å; R126-Q130 PolarHBondContact NH1-O 2.81Å; R126-Q130 PolarHBondContact NH2-O 3.38Å; R126-R139 WeakPolarHBondContact CD-O 3.5Å; R126-F140 HydrophobicContact CB-CD1 4.15Å; R126-N141 WeakPolarHBondContact CA-OD1 3.32Å; R126-C236 HydrophobicContact CB-CB 4.29Å; R126-C236 PolarHBondContact N-O 3Å
127Q91.3Very high86.2Confident132 Ų13268.5 Ų68.562%0.61736%0.355SS*.  trans-104.584178.3-70.4-178.3-4.600109.6N141 A142Q127-N141 PolarHBondContact N-OD1 3.32Å; Q127-N141 PolarHBondContact O-ND2 3.31Å; Q127-A142 HydrophobicContact CB-CB 4.21Å; Q127-A142 VanDerWaalsContact CD-CB 3.49Å; Q127-A142 HydrophobicContact CG-CB 3.78Å
128T86.8Confident87.6Confident53 Ų5360.8 Ų60.833%0.32532%0.322SS..  trans-161149172172.50000110.1R126 Q130R126-T128 HydrophobicContact CG-CG2 3.88Å; R126-T128 VanDerWaalsContact NH1-CG2 3.31Å; T128-Q130 PolarHBondContact OG1-N 3.47Å
129H83.1Confident88.4Confident135 Ų13559.9 Ų59.963%0.62532%0.317SS*.SBendtrans-79.2-19.7175.7-72-80.4000113.5R233H129-R233 PolarHBondContact ND1-NH1 3.49Å; H129-R233 WeakPolarHBondContact O-CG 3.18Å
130Q85.2Confident88.9Confident146 Ų14655.3 Ų55.368%0.68230%0.296SS*.SBendtrans-80.9133.1-178.5-68.3173.6-7.400109.7R126 T128R126-Q130 PolarHBondContact NH1-O 2.81Å; R126-Q130 PolarHBondContact NH2-O 3.38Å; T128-Q130 PolarHBondContact OG1-N 3.47Å
131P83.4Confident89.2Confident51 Ų5157.9 Ų57.933%0.33131%0.307SS..PPolyproline II helixtrans-66.8158.2173.728.8-34000111.4P230P131-P230 HydrophobicContact CB-CB 3.92Å
132P86.5Confident89.3Confident10 Ų1055.4 Ų55.47%0.06529%0.294CS..PPolyproline II helixtrans-58.4153.7166.4-19.432000110.7P230 P234P132-P230 WeakPolarHBondContact O-CG 3.44Å; P132-P234 HydrophobicContact CG-CG 4.24Å
133A87.4Confident89.5Confident58 Ų5858.6 Ų58.648%0.47931%0.314SS..PPolyproline II helixtrans-65.6149.5170.800000109.9N135 S136A133-N135 PolarHBondContact O-N 3.36Å; A133-S136 WeakPolarHBondContact CB-OG 3.4Å; A133-S136 PolarHBondContact N-OG 2.78Å; A133-S136 WeakPolarHBondContact O-CB 3.34Å; A133-S136 PolarHBondContact O-N 2.87Å; A133-S136 PolarHBondContact O-OG 2.85Å
134P84.2Confident89.4Confident79 Ų7962.3 Ų62.351%0.51333%0.332SS..THydrogen-bonded Turntrans-55.7141.4173.7-1827.5000111S136 P230P134-S136 PolarHBondContact O-N 3.44Å; P134-S136 VanDerWaalsContact O-N 3.12Å; P134-P230 HydrophobicContact CG-CG 4.29Å
135N83.2Confident89.4Confident98 Ų9864.9 Ų64.952%0.52435%0.348SS..THydrogen-bonded Turntrans5626.6179.1-56.2-50.7000114.6A133 C227 M228A133-N135 PolarHBondContact O-N 3.36Å; N135-C227 CarbonylContact C-O 3.57Å; N135-C227 WeakPolarHBondContact CA-O 3.26Å; N135-C227 PolarHBondContact N-O 2.94Å; N135-M228 WeakPolarHBondContact OD1-CA 3.46Å; N135-M228 WeakPolarHBondContact OD1-CB 3.29Å; N135-M228 WeakPolarHBondContact OD1-CE 3.1Å; N135-M228 WeakPolarHBondContact OD1-CG 3.38Å; N135-M228 PolarHBondContact OD1-O 3.21Å
136S86.8Confident89.4Confident33 Ų3365.9 Ų65.923%0.23135%0.352CS..EExtended strand (participates in β ladder)trans-114.9156.8-177.579.10000112.8A133 P134 I138 S226 C227A133-S136 WeakPolarHBondContact CB-OG 3.4Å; A133-S136 PolarHBondContact N-OG 2.78Å; A133-S136 WeakPolarHBondContact O-CB 3.34Å; A133-S136 PolarHBondContact O-N 2.87Å; A133-S136 PolarHBondContact O-OG 2.85Å; P134-S136 PolarHBondContact O-N 3.44Å; P134-S136 VanDerWaalsContact O-N 3.12Å; S136-I138 PolarHBondContact O-N 3.18Å; S136-S226 VanDerWaalsContact C-OG 3.22Å; S136-S226 WeakPolarHBondContact O-CA 3.29Å; S136-S226 PolarHBondContact O-OG 3.01Å; S136-C227 PolarHBondContact N-O 3.08Å; S136-C227 PolarHBondContact O-N 3.42Å; S136-C227 VanDerWaalsContact O-N 3.1Å
137L88.1Confident89.3Confident48 Ų4869 Ų6925%0.25137%0.374SS..EExtended strand (participates in β ladder)trans-61.8131.1174.4-173.477.3000111R139 T155 K157 S224 A225L137-R139 PolarHBondContact O-N 2.78Å; L137-T155 WeakPolarHBondContact CD2-O 3.47Å; L137-K157 HydrophobicContact CD2-CG 4.12Å; L137-S224 WeakPolarHBondContact CD1-OG 3.49Å; L137-A225 CarbonylContact C-O 3.51Å; L137-A225 WeakPolarHBondContact CA-O 3.07Å; L137-A225 WeakPolarHBondContact CD1-O 3.46Å
138I90.3Very high89.1Confident2 Ų264.7 Ų64.71%0.0135%0.354CS..  trans-76.9112.1173.8-51.2173000108.6S136 F140 V180 A225 C227S136-I138 PolarHBondContact O-N 3.18Å; I138-F140 HydrophobicContact CB-CE2 4.1Å; I138-F140 HydrophobicContact CG2-CD2 4.15Å; I138-F140 HydrophobicContact CG2-CE2 3.68Å; I138-F140 HydrophobicContact CG2-CZ 3.98Å; I138-V180 HydrophobicContact CD1-CG1 4.08Å; I138-V180 HydrophobicContact CD1-CG2 4.46Å; I138-A225 HydrophobicContact CB-CB 4.44Å; I138-A225 HydrophobicContact CD1-CB 4.04Å; I138-A225 HydrophobicContact CG1-CB 4.49Å; I138-A225 PolarHBondContact N-O 2.78Å; I138-C227 WeakPolarHBondContact CD1-SG 3.44Å; I138-C227 HydrophobicContact CG1-CB 4.45Å; I138-C227 WeakPolarHBondContact CG1-SG 3.44Å
139R91.3Very high89.4Confident149 Ų14964.2 Ų64.256%0.56236%0.361SS*.  trans-90.6118.2169.8-62.6-169.6-173.5172.35.1110.6R126 L137 S154R126-R139 WeakPolarHBondContact CD-O 3.5Å; L137-R139 PolarHBondContact O-N 2.78Å; R139-S154 PolarHBondContact NH1-O 3.3Å
140F93.1Very high89.7Confident4 Ų458 Ų582%0.01833%0.332CS..  trans-88.3115.9166.6-55.9-107.8000108.4V124 R126 I138 Y151 C236 L238V124-F140 HydrophobicContact CB-CB 3.79Å; V124-F140 HydrophobicContact CB-CG 4.44Å; V124-F140 HydrophobicContact CG2-CB 3.52Å; V124-F140 HydrophobicContact CG2-CD1 4.05Å; V124-F140 HydrophobicContact CG2-CD2 4.3Å; V124-F140 HydrophobicContact CG2-CG 3.73Å; R126-F140 HydrophobicContact CB-CD1 4.15Å; I138-F140 HydrophobicContact CB-CE2 4.1Å; I138-F140 HydrophobicContact CG2-CD2 4.15Å; I138-F140 HydrophobicContact CG2-CE2 3.68Å; I138-F140 HydrophobicContact CG2-CZ 3.98Å; F140-Y151 HydrophobicContact CB-CE1 4.17Å; F140-Y151 VanDerWaalsContact CB-OH 3.28Å; F140-Y151 WeakPolarHBondContact CB-OH 3.22Å; F140-Y151 HydrophobicContact CD2-CE2 4.37Å; F140-Y151 VanDerWaalsContact CD2-OH 3.3Å; F140-Y151 WeakPolarHBondContact CD2-OH 3.2Å; F140-Y151 PolarHBondContact N-OH 2.72Å; F140-Y151 WeakPolarHBondContact O-CE1 3.21Å; F140-Y151 PolarHBondContact O-OH 3.49Å; F140-C236 HydrophobicContact CD1-CB 4.07Å; F140-C236 WeakPolarHBondContact CD1-O 3.44Å; F140-C236 VanDerWaalsContact CE1-C 3.47Å; F140-C236 HydrophobicContact CE1-CB 3.21Å; F140-C236 VanDerWaalsContact CE1-O 3.32Å; F140-C236 WeakPolarHBondContact CE1-O 3.34Å; F140-C236 HydrophobicContact CZ-CB 3.68Å; F140-L238 HydrophobicContact CD1-CB 4.25Å; F140-L238 HydrophobicContact CE1-CB 3.73Å; F140-L238 HydrophobicContact CE2-CB 4.13Å; F140-L238 HydrophobicContact CE2-CD2 4.15Å; F140-L238 HydrophobicContact CZ-CB 3.69Å; F140-L238 HydrophobicContact CZ-CD2 4.47Å
141N93.8Very high90Very high85 Ų8551.4 Ų51.446%0.45530%0.301SS..  trans-99-12.8-170.261.2-44.6000113.9A125 R126 Q127A125-N141 PolarHBondContact O-N 3.43Å; R126-N141 WeakPolarHBondContact CA-OD1 3.32Å; Q127-N141 PolarHBondContact N-OD1 3.32Å; Q127-N141 PolarHBondContact O-ND2 3.31Å
142A94.4Very high90.4Very high15 Ų1551.8 Ų51.812%0.12430%0.3CS..EExtended strand (participates in β ladder)trans-112.3137.4178.600000110.7V124 A125 Q127V124-A142 CarbonylContact C-O 3.58Å; V124-A142 VanDerWaalsContact CA-O 3.3Å; V124-A142 WeakPolarHBondContact CA-O 3.24Å; V124-A142 WeakPolarHBondContact CB-O 3.48Å; A125-A142 HydrophobicContact CB-CB 4.36Å; A125-A142 PolarHBondContact N-O 3.36Å; A125-A142 PolarHBondContact O-N 3.32Å; Q127-A142 HydrophobicContact CB-CB 4.21Å; Q127-A142 VanDerWaalsContact CD-CB 3.49Å; Q127-A142 HydrophobicContact CG-CB 3.78Å
143V95.8Very high90.8Very high73 Ų7353.9 Ų53.944%0.44231%0.313SS..EExtended strand (participates in β ladder)trans-106.1123.9179.1171.80000108.7V124 N146 T153V124-V143 HydrophobicContact CG1-CG2 4.11Å; V143-N146 HydrophobicContact CG1-CB 3.49Å; V143-N146 VanDerWaalsContact CG1-CB 3.49Å; V143-T153 HydrophobicContact CG2-CG2 3.57Å
144L93.8Very high91.1Very high110 Ų11054.8 Ų54.858%0.57632%0.316SS*.EExtended strand (participates in β ladder)trans-91.8-44.9170-57.3-177.6000110.4T123T123-L144 HydrophobicContact CG2-CB 4.34Å; T123-L144 HydrophobicContact CG2-CD1 3.96Å; T123-L144 WeakPolarHBondContact O-CA 3.01Å; T123-L144 WeakPolarHBondContact O-CB 2.74Å; T123-L144 PolarHBondContact O-N 3.32Å
145T92.3Very high91.4Very high54 Ų5453.7 Ų53.733%0.33131%0.307SS..EExtended strand (participates in β ladder)trans-146.2137168.7-171.90000108.9F122 T123 P147F122-T145 CarbonylContact C-O 3.51Å; F122-T145 WeakPolarHBondContact CA-O 3.44Å; T123-T145 PolarHBondContact N-O 2.85Å; T123-T145 PolarHBondContact O-N 2.95Å; T123-T145 VanDerWaalsContact O-N 3.1Å; T123-T145 WeakPolarHBondContact OG1-CG2 3.34Å; T145-P147 WeakPolarHBondContact OG1-CD 3.42Å
146N93.3Very high91.6Very high28 Ų2849.1 Ų49.115%0.1528%0.283CS..  trans-164.656173.8-173.319.8000109.6F122 V143 Q148 G149 D150 Y151F122-N146 HydrophobicContact CB-CB 4.25Å; V143-N146 HydrophobicContact CG1-CB 3.49Å; V143-N146 VanDerWaalsContact CG1-CB 3.49Å; N146-Q148 PolarHBondContact O-N 2.81Å; N146-Q148 VanDerWaalsContact O-N 3.13Å; N146-G149 PolarHBondContact O-N 3.43Å; N146-G149 WeakPolarHBondContact OD1-CA 3.15Å; N146-G149 PolarHBondContact OD1-N 3.07Å; N146-D150 PolarHBondContact OD1-N 3.36Å; N146-Y151 PolarHBondContact ND2-O 2.87Å; N146-Y151 PolarHBondContact OD1-N 2.73Å
147P90.4Very high91.7Very high85 Ų8551.3 Ų51.355%0.55229%0.289SS*.THydrogen-bonded Turntrans-62-26.2-167.920.8-29000113.3V121 T145V121-P147 HydrophobicContact CG1-CG 3.91Å; T145-P147 WeakPolarHBondContact OG1-CD 3.42Å
148Q88.9Confident91.8Very high42 Ų4249.1 Ų49.120%0.19628%0.277CS..THydrogen-bonded Turntrans-88.3-12.2176.1-62.984.69.800114Q119 V121 N146 D150 K161Q119-Q148 WeakPolarHBondContact O-CG 3.28Å; Q119-Q148 PolarHBondContact O-NE2 2.99Å; Q119-Q148 VanDerWaalsContact O-NE2 3.14Å; V121-Q148 PolarHBondContact O-OE1 3.28Å; N146-Q148 PolarHBondContact O-N 2.81Å; N146-Q148 VanDerWaalsContact O-N 3.13Å; Q148-D150 VanDerWaalsContact C-N 3.31Å; Q148-K161 PolarHBondContact O-NZ 3.39Å
149G91.2Very high91.6Very high44 Ų4452.5 Ų52.545%0.45430%0.298SS..  trans6239.7-173.100000112N146 K161N146-G149 PolarHBondContact O-N 3.43Å; N146-G149 WeakPolarHBondContact OD1-CA 3.15Å; N146-G149 PolarHBondContact OD1-N 3.07Å; G149-K161 VanDerWaalsContact C-NZ 3.32Å; G149-K161 PolarHBondContact O-NZ 3.02Å
150D90Very high91.3Very high3 Ų346 Ų462%0.01628%0.275CS..  trans-83.2-30-179.3-68.9-17.3000111.4S120 N146 Q148 F158 T159 K161S120-D150 WeakPolarHBondContact CB-OD2 3.41Å; S120-D150 PolarHBondContact OG-OD2 2.76Å; N146-D150 PolarHBondContact OD1-N 3.36Å; Q148-D150 VanDerWaalsContact C-N 3.31Å; D150-F158 HydrophobicContact CB-CD2 3.87Å; D150-F158 HydrophobicContact CB-CE2 3.45Å; D150-F158 VanDerWaalsContact CB-CE2 3.45Å; D150-F158 HydrophobicContact CB-CZ 4.29Å; D150-F158 CarbonylContact O-C 3.6Å; D150-F158 WeakPolarHBondContact O-CA 3.42Å; D150-T159 PolarHBondContact O-N 3.31Å; D150-K161 WeakPolarHBondContact OD1-CD 3.47Å; D150-K161 VanDerWaalsContact OD1-CE 3.28Å; D150-K161 WeakPolarHBondContact OD1-CE 3.22Å; D150-K161 WeakPolarHBondContact OD1-CG 3.38Å; D150-K161 IonicContact OD1-NZ 2.73Å; D150-K161 PolarHBondContact OD1-NZ 2.95Å
151Y92.2Very high90.9Very high8 Ų851.3 Ų51.33%0.03130%0.298CS..EExtended strand (participates in β ladder)trans-89.8127.6166.5-176-83.8000110.6F122 V124 F140 N146 T153 G156 F158 L238F122-Y151 HydrophobicContact CD2-CD2 4.19Å; F122-Y151 HydrophobicContact CD2-CG 4.16Å; F122-Y151 AromaticContact CE2-CD2 3.96Å; F122-Y151 HydrophobicContact CE2-CD2 3.96Å; F122-Y151 HydrophobicContact CE2-CG 4.4Å; V124-Y151 HydrophobicContact CB-CD1 4.25Å; V124-Y151 HydrophobicContact CB-CE1 4.19Å; V124-Y151 HydrophobicContact CG1-CD1 3.56Å; V124-Y151 HydrophobicContact CG1-CE1 3.97Å; V124-Y151 HydrophobicContact CG1-CG 3.98Å; V124-Y151 HydrophobicContact CG2-CD1 4.1Å; V124-Y151 HydrophobicContact CG2-CD2 4.13Å; V124-Y151 HydrophobicContact CG2-CE1 3.94Å; V124-Y151 HydrophobicContact CG2-CE2 4.01Å; V124-Y151 HydrophobicContact CG2-CG 4.18Å; F140-Y151 HydrophobicContact CB-CE1 4.17Å; F140-Y151 VanDerWaalsContact CB-OH 3.28Å; F140-Y151 WeakPolarHBondContact CB-OH 3.22Å; F140-Y151 HydrophobicContact CD2-CE2 4.37Å; F140-Y151 VanDerWaalsContact CD2-OH 3.3Å; F140-Y151 WeakPolarHBondContact CD2-OH 3.2Å; F140-Y151 PolarHBondContact N-OH 2.72Å; F140-Y151 WeakPolarHBondContact O-CE1 3.21Å; F140-Y151 PolarHBondContact O-OH 3.49Å; N146-Y151 PolarHBondContact ND2-O 2.87Å; N146-Y151 PolarHBondContact OD1-N 2.73Å; Y151-T153 HydrophobicContact CD1-CG2 4.15Å; Y151-T153 HydrophobicContact CE1-CG2 3.98Å; Y151-G156 VanDerWaalsContact OH-CA 3.31Å; Y151-G156 WeakPolarHBondContact OH-CA 2.98Å; Y151-F158 HydrophobicContact CD2-CB 4.35Å; Y151-L238 HydrophobicContact CE2-CD2 4.27Å
152D92.6Very high90.5Very high59 Ų5948.8 Ų48.832%0.31629%0.286SS..EExtended strand (participates in β ladder)trans-103.2114.6176.8172.59.7000110.3S154 T155 G156 K157D152-S154 VanDerWaalsContact C-N 3.31Å; D152-S154 VanDerWaalsContact CG-OG 3.27Å; D152-S154 PolarHBondContact O-N 2.82Å; D152-S154 WeakPolarHBondContact OD1-CB 3.42Å; D152-S154 PolarHBondContact OD1-N 2.54Å; D152-S154 PolarHBondContact OD1-OG 3.14Å; D152-S154 PolarHBondContact OD2-OG 3.04Å; D152-T155 WeakPolarHBondContact CB-OG1 3.15Å; D152-T155 PolarHBondContact O-N 2.9Å; D152-T155 WeakPolarHBondContact OD2-CB 2.98Å; D152-T155 WeakPolarHBondContact OD2-CG2 3.39Å; D152-T155 PolarHBondContact OD2-OG1 2.75Å; D152-G156 WeakPolarHBondContact O-CA 3.08Å; D152-G156 PolarHBondContact O-N 3.17Å; D152-K157 PolarHBondContact N-O 2.79Å; D152-K157 PolarHBondContact O-N 2.93Å
153T93.3Very high90.1Very high55 Ų5552.3 Ų52.334%0.33731%0.307SS..THydrogen-bonded Turntrans-70.9-24.4-178.654.10000113.4V143 Y151V143-T153 HydrophobicContact CG2-CG2 3.57Å; Y151-T153 HydrophobicContact CD1-CG2 4.15Å; Y151-T153 HydrophobicContact CE1-CG2 3.98Å
154S93.3Very high89.6Confident77 Ų7750.1 Ų50.154%0.53830%0.3SS..THydrogen-bonded Turntrans-71.7-38.5178.673.60000111.2R139 D152R139-S154 PolarHBondContact NH1-O 3.3Å; D152-S154 VanDerWaalsContact C-N 3.31Å; D152-S154 VanDerWaalsContact CG-OG 3.27Å; D152-S154 PolarHBondContact O-N 2.82Å; D152-S154 WeakPolarHBondContact OD1-CB 3.42Å; D152-S154 PolarHBondContact OD1-N 2.54Å; D152-S154 PolarHBondContact OD1-OG 3.14Å; D152-S154 PolarHBondContact OD2-OG 3.04Å
155T90.6Very high89.3Confident55 Ų5550.5 Ų50.534%0.33730%0.302SS..THydrogen-bonded Turntrans-96.9-25-17959.50000113.7L137 D152L137-T155 WeakPolarHBondContact CD2-O 3.47Å; D152-T155 WeakPolarHBondContact CB-OG1 3.15Å; D152-T155 PolarHBondContact O-N 2.9Å; D152-T155 WeakPolarHBondContact OD2-CB 2.98Å; D152-T155 WeakPolarHBondContact OD2-CG2 3.39Å; D152-T155 PolarHBondContact OD2-OG1 2.75Å
156G88.2Confident89.1Confident2 Ų249.1 Ų49.12%0.02129%0.29CS..THydrogen-bonded Turntrans79.626-175.200000114.1Y151 D152Y151-G156 VanDerWaalsContact OH-CA 3.31Å; Y151-G156 WeakPolarHBondContact OH-CA 2.98Å; D152-G156 WeakPolarHBondContact O-CA 3.08Å; D152-G156 PolarHBondContact O-N 3.17Å
157K89.2Confident89.1Confident79 Ų7954.2 Ų54.234%0.34331%0.309SS..EExtended strand (participates in β ladder)trans-127.6142.1-167.8-71.5174.4169.3-173.70111.9L137 D152 P222L137-K157 HydrophobicContact CD2-CG 4.12Å; D152-K157 PolarHBondContact N-O 2.79Å; D152-K157 PolarHBondContact O-N 2.93Å; K157-P222 HydrophobicContact CB-CB 4.13Å; K157-P222 HydrophobicContact CB-CG 3.71Å; K157-P222 HydrophobicContact CD-CG 3.72Å; K157-P222 HydrophobicContact CG-CG 4.01Å
158F89.2Confident89.2Confident3 Ų350.5 Ų50.51%0.01328%0.284CS..EExtended strand (participates in β ladder)trans-95119.2171.7168-91.6000111.3F122 D150 Y151 C160 Y166 F168 L211 P222 P223F122-F158 AromaticContact CD1-CD2 3.54Å; F122-F158 HydrophobicContact CD1-CD2 3.54Å; F122-F158 AromaticContact CD1-CE2 3.73Å; F122-F158 HydrophobicContact CD1-CE2 3.73Å; F122-F158 HydrophobicContact CE1-CB 4.39Å; F122-F158 AromaticContact CE1-CD2 3.16Å; F122-F158 HydrophobicContact CE1-CD2 3.16Å; F122-F158 AromaticContact CE1-CE2 3.54Å; F122-F158 HydrophobicContact CE1-CE2 3.54Å; F122-F158 AromaticContact CE1-CG 3.9Å; F122-F158 HydrophobicContact CE1-CG 3.9Å; F122-F158 HydrophobicContact CZ-CB 4.3Å; F122-F158 AromaticContact CZ-CD2 3.9Å; F122-F158 HydrophobicContact CZ-CD2 3.9Å; F122-F158 HydrophobicContact CZ-CG 4.27Å; D150-F158 HydrophobicContact CB-CD2 3.87Å; D150-F158 HydrophobicContact CB-CE2 3.45Å; D150-F158 VanDerWaalsContact CB-CE2 3.45Å; D150-F158 HydrophobicContact CB-CZ 4.29Å; D150-F158 CarbonylContact O-C 3.6Å; D150-F158 WeakPolarHBondContact O-CA 3.42Å; Y151-F158 HydrophobicContact CD2-CB 4.35Å; F158-C160 HydrophobicContact CE1-CB 3.97Å; F158-Y166 HydrophobicContact CE1-CD1 4.39Å; F158-Y166 HydrophobicContact CE1-CE1 4.22Å; F158-Y166 HydrophobicContact CE2-CE1 4.39Å; F158-Y166 AromaticContact CZ-CD1 3.98Å; F158-Y166 HydrophobicContact CZ-CD1 3.98Å; F158-Y166 AromaticContact CZ-CE1 3.52Å; F158-Y166 HydrophobicContact CZ-CE1 3.52Å; F158-F168 HydrophobicContact CB-CE1 4.39Å; F158-F168 AromaticContact CD1-CE1 3.78Å; F158-F168 HydrophobicContact CD1-CE1 3.78Å; F158-F168 AromaticContact CD1-CZ 3.67Å; F158-F168 HydrophobicContact CD1-CZ 3.67Å; F158-F168 HydrophobicContact CD2-CE1 4.44Å; F158-F168 HydrophobicContact CE1-CE1 4.17Å; F158-F168 AromaticContact CE1-CZ 3.77Å; F158-F168 HydrophobicContact CE1-CZ 3.77Å; F158-F168 AromaticContact CG-CE1 3.93Å; F158-F168 HydrophobicContact CG-CE1 3.93Å; F158-F168 HydrophobicContact CG-CZ 4.3Å; F158-F168 HydrophobicContact CZ-CZ 4.44Å; F158-L211 HydrophobicContact CD1-CD1 4.31Å; F158-L211 HydrophobicContact CE1-CD1 3.73Å; F158-P222 WeakPolarHBondContact O-CA 3.36Å; F158-P222 WeakPolarHBondContact O-CB 3.34Å; F158-P223 HydrophobicContact CB-CG 4.32Å; F158-P223 HydrophobicContact CD1-CG 3.6Å; F158-P223 HydrophobicContact CE1-CG 4.45Å; F158-P223 HydrophobicContact CG-CG 4.39Å; F158-P223 PolarHBondContact N-O 3.5Å; F158-P223 VanDerWaalsContact O-CD 3.32Å; F158-P223 WeakPolarHBondContact O-CD 3.42Å
159T87.2Confident89.4Confident72 Ų7249.6 Ų49.644%0.44228%0.281SS..  trans-102118.7177.5-56.10000111.2D150 K161D150-T159 PolarHBondContact O-N 3.31Å; T159-K161 PolarHBondContact O-N 2.76Å
160C85.1Confident89.5Confident13 Ų1347.7 Ų47.79%0.08826%0.26CS..  trans-70.2110.1177.6179.60000111.2F158 V162 L211 G214F158-C160 HydrophobicContact CE1-CB 3.97Å; C160-V162 PolarHBondContact SG-O 2.89Å; C160-L211 HydrophobicContact CB-CB 4.06Å; C160-L211 HydrophobicContact CB-CD1 3.95Å; C160-G214 PolarHBondContact O-N 2.87Å; C160-G214 VanDerWaalsContact O-N 3.11Å
161K85.3Confident89.7Confident115 Ų11551.8 Ų51.850%0.528%0.279SS..  trans-90.8-32.9171.8-61.2-172.2-170.3123.60112.6Q148 G149 D150 T159Q148-K161 PolarHBondContact O-NZ 3.39Å; G149-K161 VanDerWaalsContact C-NZ 3.32Å; G149-K161 PolarHBondContact O-NZ 3.02Å; D150-K161 WeakPolarHBondContact OD1-CD 3.47Å; D150-K161 VanDerWaalsContact OD1-CE 3.28Å; D150-K161 WeakPolarHBondContact OD1-CE 3.22Å; D150-K161 WeakPolarHBondContact OD1-CG 3.38Å; D150-K161 IonicContact OD1-NZ 2.73Å; D150-K161 PolarHBondContact OD1-NZ 2.95Å; T159-K161 PolarHBondContact O-N 2.76Å
162V84.4Confident89.6Confident33 Ų3351.4 Ų51.420%0.228%0.278CS..SBendtrans-111.5116.7-178.4-175.70000109.2C160 G164 Y166C160-V162 PolarHBondContact SG-O 2.89Å; V162-G164 PolarHBondContact O-N 3.33Å; V162-Y166 VanDerWaalsContact O-CE2 3.29Å; V162-Y166 WeakPolarHBondContact O-CE2 3.48Å; V162-Y166 PolarHBondContact O-OH 2.86Å
163P85.1Confident89.5Confident88 Ų8849.6 Ų49.657%0.57127%0.27SS*.  trans-60.3138.1175.322.2-29.3000110.7L211P163-L211 WeakPolarHBondContact CA-O 3.05Å
164G86.5Confident89.2Confident27 Ų2747.3 Ų47.328%0.27826%0.255SS..EExtended strand (participates in β ladder)trans172.7-177.9-177.200000114.3V162 R210 L211V162-G164 PolarHBondContact O-N 3.33Å; G164-R210 CarbonylContact O-C 3.42Å; G164-R210 WeakPolarHBondContact O-CA 3.44Å; G164-L211 PolarHBondContact N-O 2.84Å; G164-L211 PolarHBondContact O-N 3.2Å
165L86.3Confident88.9Confident118 Ų11846.3 Ų46.362%0.61825%0.246SC*.EExtended strand (participates in β ladder)trans-89.9123.8168.4-175.166.6000108.5L208 R210L165-L208 HydrophobicContact CD1-CB 4.32Å; L165-L208 HydrophobicContact CD2-CD2 4.38Å; L165-L208 HydrophobicContact CG-CD2 4.26Å; L165-R210 HydrophobicContact CD1-CB 4.22Å
166Y88.4Confident88.7Confident25 Ų2544.7 Ų44.710%0.09824%0.238CC..EExtended strand (participates in β ladder)trans-114.2142-178.7-76.6-95.9000110.4S120 F158 V162 F168 L208 L209 L211S120-Y166 WeakPolarHBondContact CB-OH 3.33Å; S120-Y166 WeakPolarHBondContact OG-CE1 3.44Å; S120-Y166 PolarHBondContact OG-OH 2.87Å; F158-Y166 HydrophobicContact CE1-CD1 4.39Å; F158-Y166 HydrophobicContact CE1-CE1 4.22Å; F158-Y166 HydrophobicContact CE2-CE1 4.39Å; F158-Y166 AromaticContact CZ-CD1 3.98Å; F158-Y166 HydrophobicContact CZ-CD1 3.98Å; F158-Y166 AromaticContact CZ-CE1 3.52Å; F158-Y166 HydrophobicContact CZ-CE1 3.52Å; V162-Y166 VanDerWaalsContact O-CE2 3.29Å; V162-Y166 WeakPolarHBondContact O-CE2 3.48Å; V162-Y166 PolarHBondContact O-OH 2.86Å; Y166-F168 VanDerWaalsContact CB-CE2 3.47Å; Y166-F168 HydrophobicContact CD1-CZ 4.33Å; Y166-F168 HydrophobicContact CG-CE2 4.3Å; Y166-F168 HydrophobicContact CG-CZ 4.28Å; Y166-L208 CarbonylContact O-C 3.56Å; Y166-L208 VanDerWaalsContact O-CA 3.29Å; Y166-L208 WeakPolarHBondContact O-CA 3.06Å; Y166-L209 PolarHBondContact N-O 2.83Å; Y166-L209 PolarHBondContact O-N 2.79Å; Y166-L211 HydrophobicContact CD2-CB 3.95Å; Y166-L211 HydrophobicContact CD2-CD1 3.8Å; Y166-L211 HydrophobicContact CD2-CG 3.91Å; Y166-L211 HydrophobicContact CE2-CB 4.17Å; Y166-L211 HydrophobicContact CE2-CD1 4.27Å; Y166-L211 HydrophobicContact CG-CD1 4.05Å; Y166-L211 HydrophobicContact CG-CG 4.47Å
167Y93Very high88.8Confident135 Ų13548.5 Ų48.553%0.52926%0.258SS..EExtended strand (participates in β ladder)trans-105.4122.1167.6-177.9-127000108.2V169 L208Y167-V169 HydrophobicContact CD1-CB 4.46Å; Y167-V169 HydrophobicContact CD1-CG1 4.35Å; Y167-V169 HydrophobicContact CE1-CB 3.76Å; Y167-V169 HydrophobicContact CE1-CG1 3.84Å; Y167-V169 HydrophobicContact CE1-CG2 4.43Å; Y167-L208 HydrophobicContact CD2-CD2 3.93Å; Y167-L208 HydrophobicContact CD2-CG 4.06Å; Y167-L208 HydrophobicContact CG-CD2 4.23Å
168F92.6Very high88.8Confident7 Ų745.1 Ų45.13%0.03124%0.244CC..EExtended strand (participates in β ladder)trans-109.4128.6172.7-65.2-82.9000108F122 F158 Y166 G206 V207 L209 L211 P223F122-F168 HydrophobicContact CE1-CD1 4.35Å; F122-F168 AromaticContact CE1-CE1 3.94Å; F122-F168 HydrophobicContact CE1-CE1 3.94Å; F122-F168 AromaticContact CZ-CD1 3.97Å; F122-F168 HydrophobicContact CZ-CD1 3.97Å; F122-F168 AromaticContact CZ-CE1 3.89Å; F122-F168 HydrophobicContact CZ-CE1 3.89Å; F158-F168 HydrophobicContact CB-CE1 4.39Å; F158-F168 AromaticContact CD1-CE1 3.78Å; F158-F168 HydrophobicContact CD1-CE1 3.78Å; F158-F168 AromaticContact CD1-CZ 3.67Å; F158-F168 HydrophobicContact CD1-CZ 3.67Å; F158-F168 HydrophobicContact CD2-CE1 4.44Å; F158-F168 HydrophobicContact CE1-CE1 4.17Å; F158-F168 AromaticContact CE1-CZ 3.77Å; F158-F168 HydrophobicContact CE1-CZ 3.77Å; F158-F168 AromaticContact CG-CE1 3.93Å; F158-F168 HydrophobicContact CG-CE1 3.93Å; F158-F168 HydrophobicContact CG-CZ 4.3Å; F158-F168 HydrophobicContact CZ-CZ 4.44Å; Y166-F168 VanDerWaalsContact CB-CE2 3.47Å; Y166-F168 HydrophobicContact CD1-CZ 4.33Å; Y166-F168 HydrophobicContact CG-CE2 4.3Å; Y166-F168 HydrophobicContact CG-CZ 4.28Å; F168-G206 CarbonylContact O-C 3.53Å; F168-G206 WeakPolarHBondContact O-CA 3.34Å; F168-V207 HydrophobicContact CB-CG1 4.44Å; F168-V207 PolarHBondContact N-O 3.25Å; F168-V207 PolarHBondContact O-N 3.13Å; F168-L209 HydrophobicContact CD2-CB 4.41Å; F168-L209 HydrophobicContact CD2-CD1 4.04Å; F168-L209 HydrophobicContact CD2-CG 4.47Å; F168-L209 HydrophobicContact CE2-CB 4.25Å; F168-L209 HydrophobicContact CE2-CD1 4.22Å; F168-L211 HydrophobicContact CE2-CD1 3.94Å; F168-L211 HydrophobicContact CZ-CD1 3.81Å; F168-P223 HydrophobicContact CE1-CG 4.07Å; F168-P223 HydrophobicContact CE2-CG 4.14Å; F168-P223 HydrophobicContact CZ-CB 4.43Å; F168-P223 HydrophobicContact CZ-CG 3.63Å
169V94.6Very high88.9Confident24 Ų2446.1 Ų46.115%0.14525%0.251CS..EExtended strand (participates in β ladder)trans-138.1141.1177.163.60000110.3Y167 G205 L238 A239Y167-V169 HydrophobicContact CD1-CB 4.46Å; Y167-V169 HydrophobicContact CD1-CG1 4.35Å; Y167-V169 HydrophobicContact CE1-CB 3.76Å; Y167-V169 HydrophobicContact CE1-CG1 3.84Å; Y167-V169 HydrophobicContact CE1-CG2 4.43Å; V169-G205 CarbonylContact C-O 3.54Å; V169-G205 WeakPolarHBondContact CA-O 3.19Å; V169-L238 WeakPolarHBondContact O-CA 3.5Å; V169-L238 WeakPolarHBondContact O-CD1 3.49Å; V169-A239 HydrophobicContact CG1-CB 3.9Å; V169-A239 PolarHBondContact N-O 2.04Å; V169-A239 PolarHBondContact O-N 2.93Å; V169-A239 VanDerWaalsContact O-O 3.12Å
170Y93.7Very high89.1Confident3 Ų342.8 Ų42.81%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-131.1155.9173.876.4-90.3000112A172 V180 L182 F192 N203 S204 G205 I237Y170-A172 HydrophobicContact CD2-CB 3.96Å; Y170-A172 HydrophobicContact CE2-CB 4.06Å; Y170-V180 HydrophobicContact CD1-CG1 4.16Å; Y170-V180 HydrophobicContact CD2-CG1 4.32Å; Y170-V180 HydrophobicContact CE1-CB 4.1Å; Y170-V180 HydrophobicContact CE1-CG1 3.73Å; Y170-V180 HydrophobicContact CE2-CB 3.84Å; Y170-V180 HydrophobicContact CE2-CG1 3.95Å; Y170-V180 HydrophobicContact CE2-CG2 3.8Å; Y170-V180 HydrophobicContact CG-CG1 4.45Å; Y170-V180 WeakPolarHBondContact OH-CB 3.35Å; Y170-L182 HydrophobicContact CD1-CD1 4.43Å; Y170-F192 HydrophobicContact CE1-CD2 4.04Å; Y170-F192 WeakPolarHBondContact OH-CB 3.47Å; Y170-N203 WeakPolarHBondContact CE2-O 3.48Å; Y170-N203 PolarHBondContact OH-OD1 2.97Å; Y170-S204 VanDerWaalsContact O-CA 3.27Å; Y170-S204 WeakPolarHBondContact O-CA 3.47Å; Y170-G205 WeakPolarHBondContact CD1-O 3.47Å; Y170-G205 PolarHBondContact N-O 3.1Å; Y170-G205 PolarHBondContact O-N 2.92Å; Y170-I237 CarbonylContact C-O 3.57Å; Y170-I237 WeakPolarHBondContact CA-O 3.31Å; Y170-I237 VanDerWaalsContact CB-O 3.31Å; Y170-I237 WeakPolarHBondContact CB-O 3.11Å
171H92.9Very high89.4Confident90 Ų9042.3 Ų42.342%0.41723%0.227SC..EExtended strand (participates in β ladder)trans-129.9116.8168.4-60.6-75.8000108.1V202 S204 C236 I237H171-V202 HydrophobicContact CB-CG1 3.97Å; H171-S204 WeakPolarHBondContact ND1-CB 3.3Å; H171-S204 PolarHBondContact ND1-OG 3.01Å; H171-C236 CarbonylContact O-C 3.41Å; H171-C236 WeakPolarHBondContact O-CA 3.43Å; H171-I237 PolarHBondContact N-O 2.76Å; H171-I237 PolarHBondContact O-N 3.02Å
172A91Very high89.5Confident0 Ų037.3 Ų37.30%021%0.205CC..EExtended strand (participates in β ladder)trans-118.3111.3-177.900000109.8Y170 L178 V180 V202 N203 C236Y170-A172 HydrophobicContact CD2-CB 3.96Å; Y170-A172 HydrophobicContact CE2-CB 4.06Å; A172-L178 HydrophobicContact CB-CD2 3.79Å; A172-V180 HydrophobicContact CB-CG2 4.39Å; A172-V202 CarbonylContact O-C 3.52Å; A172-V202 WeakPolarHBondContact O-CA 3.33Å; A172-N203 PolarHBondContact N-O 2.82Å; A172-N203 PolarHBondContact O-N 2.89Å; A172-C236 HydrophobicContact CB-CB 4.31Å; A172-C236 VanDerWaalsContact CB-SG 3.52Å
173S90.4Very high89.6Confident21 Ų2138.5 Ų38.515%0.14721%0.207CC..EExtended strand (participates in β ladder)trans-63.5142.6167.9-160.10000109.2N200 Q201 P234 V235S173-N200 VanDerWaalsContact OG-CG 3.3Å; S173-N200 PolarHBondContact OG-ND2 3.03Å; S173-N200 PolarHBondContact OG-OD1 2.85Å; S173-Q201 CarbonylContact C-O 3.57Å; S173-Q201 VanDerWaalsContact CA-O 3.25Å; S173-Q201 WeakPolarHBondContact CA-O 3.32Å; S173-P234 WeakPolarHBondContact O-CA 3.28Å; S173-P234 WeakPolarHBondContact O-CB 3.37Å; S173-V235 PolarHBondContact N-O 2.78Å
174H86.8Confident89.6Confident6 Ų638.5 Ų38.53%0.02820%0.195CC..EExtended strand (participates in β ladder)trans-154.1147.1175.165.1100.3000111.5A176 L178 T196 N200 Q201H174-A176 PolarHBondContact ND1-O 3.18Å; H174-L178 HydrophobicContact CB-CB 3.83Å; H174-L178 HydrophobicContact CB-CD2 3.73Å; H174-L178 HydrophobicContact CB-CG 4.4Å; H174-T196 WeakPolarHBondContact ND1-CG2 3.48Å; H174-N200 WeakPolarHBondContact O-CA 3.44Å; H174-N200 PolarHBondContact O-OD1 2.84Å; H174-Q201 PolarHBondContact CD2-O 2.87Å; H174-Q201 PolarHBondContact N-O 2.94Å; H174-Q201 PolarHBondContact O-N 2.92Å
175T86.8Confident89.4Confident57 Ų5738.4 Ų38.435%0.3519%0.194SC..SBendtrans-112.52.2176.958.90000112.9T196 N200T175-T196 VanDerWaalsContact C-CG2 3.4Å; T175-N200 HydrophobicContact CG2-CB 4.16Å
176A86.6Confident89.1Confident20 Ų2035.3 Ų35.317%0.16519%0.191CC..SBendtrans-142.1176.2175.300000108.9H174 L178 P231H174-A176 PolarHBondContact ND1-O 3.18Å; A176-L178 PolarHBondContact O-N 2.63Å; A176-P231 VanDerWaalsContact CB-O 3.22Å; A176-P231 WeakPolarHBondContact CB-O 3.03Å
177N90.3Very high89Confident83 Ų8338.9 Ų38.944%0.44422%0.215SC..  trans-53.7130.2175.2-65.5-14.5000110.9G194 H195 T196 D229N177-G194 WeakPolarHBondContact CA-O 3.37Å; N177-H195 VanDerWaalsContact OD1-CA 3.24Å; N177-H195 WeakPolarHBondContact OD1-CA 3.42Å; N177-H195 WeakPolarHBondContact OD1-CB 3.27Å; N177-T196 PolarHBondContact OD1-N 3.33Å; N177-T196 PolarHBondContact OD1-O 3.5Å; N177-D229 VanDerWaalsContact O-O 3.09Å
178L88.8Confident88.9Confident8 Ų838 Ų384%0.04221%0.214CC..EExtended strand (participates in β ladder)trans-140.2122-178174.865.7000110A172 H174 A176 V180 C193 G194 N203 C227 P234A172-L178 HydrophobicContact CB-CD2 3.79Å; H174-L178 HydrophobicContact CB-CB 3.83Å; H174-L178 HydrophobicContact CB-CD2 3.73Å; H174-L178 HydrophobicContact CB-CG 4.4Å; A176-L178 PolarHBondContact O-N 2.63Å; L178-V180 HydrophobicContact CD1-CG2 4.23Å; L178-V180 HydrophobicContact CD2-CG2 4Å; L178-V180 HydrophobicContact CG-CG2 4Å; L178-C193 CarbonylContact O-C 3.43Å; L178-C193 VanDerWaalsContact O-CA 3.32Å; L178-C193 WeakPolarHBondContact O-CA 3.27Å; L178-G194 PolarHBondContact N-O 2.89Å; L178-G194 PolarHBondContact O-N 3.46Å; L178-N203 PolarHBondContact O-ND2 3.5Å; L178-C227 HydrophobicContact CD1-CB 4.45Å; L178-P234 HydrophobicContact CD2-CB 4.43Å
179C91.4Very high88.9Confident24 Ų2440.2 Ų40.216%0.16223%0.228CC..EExtended strand (participates in β ladder)trans-109.9124.7166.5-67.30000110.2L181 T191 F192 C193 C227 M228C179-L181 HydrophobicContact CB-CD1 4.22Å; C179-T191 HydrophobicContact CB-CG2 4.48Å; C179-F192 WeakPolarHBondContact CA-O 3.28Å; C179-C193 HydrophobicContact CB-CB 4.15Å; C179-C193 WeakPolarHBondContact CB-SG 3.43Å; C179-C193 WeakPolarHBondContact SG-CB 3.14Å; C179-C193 CovalentContact SG-SG 2.04Å; C179-C193 PolarHBondContact SG-SG 3.37Å; C179-C227 WeakPolarHBondContact O-CA 3.28Å; C179-M228 PolarHBondContact O-N 2.88Å
180V90.9Very high88.8Confident2 Ų241 Ų411%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-108.3128.4174.3-179.70000109I138 Y170 A172 L178 T191 F192 A225I138-V180 HydrophobicContact CD1-CG1 4.08Å; I138-V180 HydrophobicContact CD1-CG2 4.46Å; Y170-V180 HydrophobicContact CD1-CG1 4.16Å; Y170-V180 HydrophobicContact CD2-CG1 4.32Å; Y170-V180 HydrophobicContact CE1-CB 4.1Å; Y170-V180 HydrophobicContact CE1-CG1 3.73Å; Y170-V180 HydrophobicContact CE2-CB 3.84Å; Y170-V180 HydrophobicContact CE2-CG1 3.95Å; Y170-V180 HydrophobicContact CE2-CG2 3.8Å; Y170-V180 HydrophobicContact CG-CG1 4.45Å; Y170-V180 WeakPolarHBondContact OH-CB 3.35Å; A172-V180 HydrophobicContact CB-CG2 4.39Å; L178-V180 HydrophobicContact CD1-CG2 4.23Å; L178-V180 HydrophobicContact CD2-CG2 4Å; L178-V180 HydrophobicContact CG-CG2 4Å; V180-T191 WeakPolarHBondContact O-CA 3.3Å; V180-F192 PolarHBondContact N-O 2.79Å; V180-F192 PolarHBondContact O-N 3.31Å; V180-A225 HydrophobicContact CG1-CB 4.43Å
181L91.2Very high88.8Confident3 Ų343.5 Ų43.52%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-112.6126.9-178.1-69.471.6000108.6C179 Y183 K188 V190 T191 A225 S226 M228C179-L181 HydrophobicContact CB-CD1 4.22Å; L181-Y183 HydrophobicContact CB-CD2 4.23Å; L181-Y183 HydrophobicContact CB-CE2 3.59Å; L181-Y183 HydrophobicContact CD2-CE2 4.07Å; L181-Y183 WeakPolarHBondContact CD2-OH 3.03Å; L181-K188 HydrophobicContact CB-CG 4.49Å; L181-K188 HydrophobicContact CD2-CD 3.53Å; L181-K188 HydrophobicContact CD2-CG 4.27Å; L181-K188 HydrophobicContact CG-CD 4.1Å; L181-V190 WeakPolarHBondContact CA-O 3.44Å; L181-T191 HydrophobicContact CD1-CG2 3.94Å; L181-T191 HydrophobicContact CG-CG2 3.9Å; L181-A225 CarbonylContact O-C 3.59Å; L181-A225 VanDerWaalsContact O-CA 3.22Å; L181-A225 WeakPolarHBondContact O-CA 3.47Å; L181-S226 PolarHBondContact N-O 3.22Å; L181-S226 PolarHBondContact O-N 3.22Å; L181-M228 HydrophobicContact CD1-CB 4.4Å; L181-M228 HydrophobicContact CD1-CG 3.86Å; L181-M228 HydrophobicContact CD2-CG 4.05Å; L181-M228 HydrophobicContact CD2-SD 4.14Å
182L88.1Confident88.8Confident9 Ų942.3 Ų42.35%0.04724%0.242CC..EExtended strand (participates in β ladder)trans-95.5128.3170.2-71.9169.5000109.4Y170 V189 V190 V207 A225Y170-L182 HydrophobicContact CD1-CD1 4.43Å; L182-V189 WeakPolarHBondContact O-CB 3.35Å; L182-V189 PolarHBondContact O-N 3.29Å; L182-V190 HydrophobicContact CB-CG2 3.79Å; L182-V190 HydrophobicContact CD1-CG2 3.79Å; L182-V190 HydrophobicContact CG-CG2 4.23Å; L182-V190 PolarHBondContact N-O 3.49Å; L182-V190 PolarHBondContact O-N 2.83Å; L182-V207 HydrophobicContact CD1-CG1 3.77Å; L182-A225 HydrophobicContact CD2-CB 4.1Å
183Y86.6Confident88.9Confident59 Ų5945.4 Ų45.423%0.23126%0.263CS..EExtended strand (participates in β ladder)trans-107.6154.2175.7-72-101.6000110.6L181 V187 K188 P223 S224L181-Y183 HydrophobicContact CB-CD2 4.23Å; L181-Y183 HydrophobicContact CB-CE2 3.59Å; L181-Y183 HydrophobicContact CD2-CE2 4.07Å; L181-Y183 WeakPolarHBondContact CD2-OH 3.03Å; Y183-V187 CarbonylContact C-O 3.5Å; Y183-V187 VanDerWaalsContact CA-O 3.26Å; Y183-V187 WeakPolarHBondContact CA-O 3.35Å; Y183-K188 HydrophobicContact CD1-CB 4.17Å; Y183-K188 HydrophobicContact CE1-CB 3.77Å; Y183-K188 HydrophobicContact CE1-CG 4.49Å; Y183-P223 CarbonylContact O-C 3.52Å; Y183-P223 WeakPolarHBondContact O-CA 3.28Å; Y183-P223 WeakPolarHBondContact O-CB 3.18Å; Y183-S224 WeakPolarHBondContact CB-O 3.37Å; Y183-S224 PolarHBondContact N-O 3.42Å; Y183-S224 PolarHBondContact O-N 3.2Å
184R85.9Confident88.9Confident88 Ų8845 Ų4533%0.33226%0.262SS..EExtended strand (participates in β ladder)trans-138.5125.1165.5175.2-169.7170.9162.75.9107.2G186 V187 V189 L209 R210 L211R184-G186 PolarHBondContact O-N 2.63Å; R184-V187 PolarHBondContact N-O 3.47Å; R184-V187 WeakPolarHBondContact O-CB 3.34Å; R184-V187 PolarHBondContact O-N 3.23Å; R184-V189 HydrophobicContact CB-CG2 3.57Å; R184-L209 HydrophobicContact CB-CD1 4.4Å; R184-R210 PolarHBondContact NH1-O 2.83Å; R184-R210 PolarHBondContact NH2-O 2.74Å; R184-L211 HydrophobicContact CG-CD2 4.3Å
185G80.8Confident89.1Confident24 Ų2451.1 Ų51.125%0.24729%0.29CS..THydrogen-bonded Turntrans64.624.217600000114.3V187 P221G185-V187 PolarHBondContact O-N 3.1Å; G185-P221 WeakPolarHBondContact CA-O 3.49Å; G185-P221 PolarHBondContact N-O 3.12Å
186G81.4Confident89.1Confident54 Ų5449.2 Ų49.256%0.55728%0.279SS*.THydrogen-bonded Turntrans78.3-4.2-171.800000114.5R184R184-G186 PolarHBondContact O-N 2.63Å
187V85.6Confident88.6Confident100 Ų10053.6 Ų53.661%0.60631%0.309SS*.EExtended strand (participates in β ladder)trans-95.2130.6175.6-1770000109.6Y183 R184 G185 V189Y183-V187 CarbonylContact C-O 3.5Å; Y183-V187 VanDerWaalsContact CA-O 3.26Å; Y183-V187 WeakPolarHBondContact CA-O 3.35Å; R184-V187 PolarHBondContact N-O 3.47Å; R184-V187 WeakPolarHBondContact O-CB 3.34Å; R184-V187 PolarHBondContact O-N 3.23Å; G185-V187 PolarHBondContact O-N 3.1Å; V187-V189 PolarHBondContact O-N 3.42Å
188K90.8Very high87.7Confident117 Ų11758.3 Ų58.351%0.50933%0.328SS..EExtended strand (participates in β ladder)trans-67.1125.8173.6-172.5179.374.8174.40109.5L181 Y183 T191L181-K188 HydrophobicContact CB-CG 4.49Å; L181-K188 HydrophobicContact CD2-CD 3.53Å; L181-K188 HydrophobicContact CD2-CG 4.27Å; L181-K188 HydrophobicContact CG-CD 4.1Å; Y183-K188 HydrophobicContact CD1-CB 4.17Å; Y183-K188 HydrophobicContact CE1-CB 3.77Å; Y183-K188 HydrophobicContact CE1-CG 4.49Å; K188-T191 WeakPolarHBondContact CD-OG1 3.31Å
189V91.6Very high87.3Confident53 Ų5360.8 Ų60.832%0.32135%0.349SS..EExtended strand (participates in β ladder)trans-96.3-55-178.2-179.80000110.5L182 R184 V187 V207 L209L182-V189 WeakPolarHBondContact O-CB 3.35Å; L182-V189 PolarHBondContact O-N 3.29Å; R184-V189 HydrophobicContact CB-CG2 3.57Å; V187-V189 PolarHBondContact O-N 3.42Å; V189-V207 HydrophobicContact CG1-CG2 3.96Å; V189-L209 HydrophobicContact CG1-CD2 3.86Å
190V92.4Very high87.1Confident39 Ų3964.5 Ų64.524%0.23637%0.367CS..EExtended strand (participates in β ladder)trans-142.7160.1-178.3-73.30000110.3L181 L182 F192 V207L181-V190 WeakPolarHBondContact CA-O 3.44Å; L182-V190 HydrophobicContact CB-CG2 3.79Å; L182-V190 HydrophobicContact CD1-CG2 3.79Å; L182-V190 HydrophobicContact CG-CG2 4.23Å; L182-V190 PolarHBondContact N-O 3.49Å; L182-V190 PolarHBondContact O-N 2.83Å; V190-F192 HydrophobicContact CB-CE2 3.83Å; V190-F192 HydrophobicContact CB-CZ 4.07Å; V190-F192 HydrophobicContact CG1-CZ 4.48Å; V190-F192 HydrophobicContact CG2-CD2 4.42Å; V190-F192 HydrophobicContact CG2-CE2 3.51Å; V190-F192 HydrophobicContact CG2-CZ 4.06Å; V190-V207 HydrophobicContact CG1-CG2 4.45Å; V190-V207 HydrophobicContact CG2-CB 4.18Å; V190-V207 HydrophobicContact CG2-CG1 4.26Å
191T94.4Very high87.1Confident57 Ų5768.5 Ų68.535%0.3539%0.386SS..EExtended strand (participates in β ladder)trans-139.9131.4175.9-550000108.3C179 V180 L181 K188C179-T191 HydrophobicContact CB-CG2 4.48Å; V180-T191 WeakPolarHBondContact O-CA 3.3Å; L181-T191 HydrophobicContact CD1-CG2 3.94Å; L181-T191 HydrophobicContact CG-CG2 3.9Å; K188-T191 WeakPolarHBondContact CD-OG1 3.31Å
192F93.9Very high87.1Confident65 Ų6572.5 Ų72.529%0.28541%0.41SS..EExtended strand (participates in β ladder)trans-128.6131.2172.1-46.5-95.4000109.3Y170 C179 V180 V190 N203Y170-F192 HydrophobicContact CE1-CD2 4.04Å; Y170-F192 WeakPolarHBondContact OH-CB 3.47Å; C179-F192 WeakPolarHBondContact CA-O 3.28Å; V180-F192 PolarHBondContact N-O 2.79Å; V180-F192 PolarHBondContact O-N 3.31Å; V190-F192 HydrophobicContact CB-CE2 3.83Å; V190-F192 HydrophobicContact CB-CZ 4.07Å; V190-F192 HydrophobicContact CG1-CZ 4.48Å; V190-F192 HydrophobicContact CG2-CD2 4.42Å; V190-F192 HydrophobicContact CG2-CE2 3.51Å; V190-F192 HydrophobicContact CG2-CZ 4.06Å; F192-N203 PolarHBondContact O-ND2 3Å
193C93.1Very high87.3Confident64 Ų6472.6 Ų72.643%0.43241%0.411SS..EExtended strand (participates in β ladder)trans-118.3136.5-176.8-62.20000110.1L178 C179L178-C193 CarbonylContact O-C 3.43Å; L178-C193 VanDerWaalsContact O-CA 3.32Å; L178-C193 WeakPolarHBondContact O-CA 3.27Å; C179-C193 HydrophobicContact CB-CB 4.15Å; C179-C193 WeakPolarHBondContact CB-SG 3.43Å; C179-C193 WeakPolarHBondContact SG-CB 3.14Å; C179-C193 CovalentContact SG-SG 2.04Å; C179-C193 PolarHBondContact SG-SG 3.37Å
194G89.8Confident87.6Confident13 Ų1372.4 Ų72.413%0.13442%0.418CS..EExtended strand (participates in β ladder)trans-117.3131169.400000108.7N177 L178 N203N177-G194 WeakPolarHBondContact CA-O 3.37Å; L178-G194 PolarHBondContact N-O 2.89Å; L178-G194 PolarHBondContact O-N 3.46Å; G194-N203 PolarHBondContact N-ND2 3.44Å
195H90.6Very high87.9Confident134 Ų13468.6 Ų68.662%0.6241%0.406SS*.  trans-109.2129.9175.5-60.4132.9000109.5N177 Q201N177-H195 VanDerWaalsContact OD1-CA 3.24Å; N177-H195 WeakPolarHBondContact OD1-CA 3.42Å; N177-H195 WeakPolarHBondContact OD1-CB 3.27Å; H195-Q201 PolarHBondContact O-OE1 2.73Å
196T86Confident88.4Confident17 Ų1768.6 Ų68.610%0.10441%0.407CS..  trans-145.4144.8176.6-175.40000109.8H174 T175 N177 A199H174-T196 WeakPolarHBondContact ND1-CG2 3.48Å; T175-T196 VanDerWaalsContact C-CG2 3.4Å; N177-T196 PolarHBondContact OD1-N 3.33Å; N177-T196 PolarHBondContact OD1-O 3.5Å; T196-A199 PolarHBondContact OG1-O 2.86Å
197S76.2Confident88.9Confident113 Ų11367.1 Ų67.179%0.7939%0.387SS*.SBendtrans-106.6-12.8-176.752.80000114.2
198Q71.3Confident89.2Confident182 Ų18267.5 Ų67.585%0.8539%0.385SS*.SBendtrans-171.7-24.7180-106.5154.847.500115
199A82.2Confident89Confident59 Ų5962.8 Ų62.849%0.48837%0.365SS..SBendtrans-87.8142.3179.900000111.7T196 Q201T196-A199 PolarHBondContact OG1-O 2.86Å; A199-Q201 PolarHBondContact O-N 2.92Å
200N87Confident88.8Confident102 Ų10269.7 Ų69.755%0.54539%0.385SS..  trans-65.9123.3167.5-170.540.1000109S173 H174 T175S173-N200 VanDerWaalsContact OG-CG 3.3Å; S173-N200 PolarHBondContact OG-ND2 3.03Å; S173-N200 PolarHBondContact OG-OD1 2.85Å; H174-N200 WeakPolarHBondContact O-CA 3.44Å; H174-N200 PolarHBondContact O-OD1 2.84Å; T175-N200 HydrophobicContact CG2-CB 4.16Å
201Q89.9Confident88.4Confident86 Ų8668.2 Ų68.240%0.40238%0.376SS..EExtended strand (participates in β ladder)trans-124.9166.9178.6-71-169.8-28.200110.2S173 H174 H195 A199S173-Q201 CarbonylContact C-O 3.57Å; S173-Q201 VanDerWaalsContact CA-O 3.25Å; S173-Q201 WeakPolarHBondContact CA-O 3.32Å; H174-Q201 PolarHBondContact CD2-O 2.87Å; H174-Q201 PolarHBondContact N-O 2.94Å; H174-Q201 PolarHBondContact O-N 2.92Å; H195-Q201 PolarHBondContact O-OE1 2.73Å; A199-Q201 PolarHBondContact O-N 2.92Å
202V92.1Very high87.8Confident87 Ų8772.7 Ų72.753%0.52739%0.393SS..EExtended strand (participates in β ladder)trans-118.4114175.6-1770000109H171 A172H171-V202 HydrophobicContact CB-CG1 3.97Å; A172-V202 CarbonylContact O-C 3.52Å; A172-V202 WeakPolarHBondContact O-CA 3.33Å
203N91Very high86.4Confident11 Ų1170.4 Ų70.46%0.05939%0.388CS..EExtended strand (participates in β ladder)trans-83.9125.4168.3178.2-16.5000108Y170 A172 L178 F192 G194Y170-N203 WeakPolarHBondContact CE2-O 3.48Å; Y170-N203 PolarHBondContact OH-OD1 2.97Å; A172-N203 PolarHBondContact N-O 2.82Å; A172-N203 PolarHBondContact O-N 2.89Å; L178-N203 PolarHBondContact O-ND2 3.5Å; F192-N203 PolarHBondContact O-ND2 3Å; G194-N203 PolarHBondContact N-ND2 3.44Å
204S94.3Very high84.7Confident55 Ų5570.1 Ų70.139%0.38540%0.395SS..EExtended strand (participates in β ladder)trans-123.9146.5179.3-49.50000110.4Y170 H171Y170-S204 VanDerWaalsContact O-CA 3.27Å; Y170-S204 WeakPolarHBondContact O-CA 3.47Å; H171-S204 WeakPolarHBondContact ND1-CB 3.3Å; H171-S204 PolarHBondContact ND1-OG 3.01Å
205G91.9Very high82.2Confident8 Ų877.1 Ų77.18%0.08243%0.425CS..EExtended strand (participates in β ladder)trans-160.7156.717800000111.1V169 Y170V169-G205 CarbonylContact C-O 3.54Å; V169-G205 WeakPolarHBondContact CA-O 3.19Å; Y170-G205 WeakPolarHBondContact CD1-O 3.47Å; Y170-G205 PolarHBondContact N-O 3.1Å; Y170-G205 PolarHBondContact O-N 2.92Å
206G90.8Very high79.7Confident25 Ų2583.2 Ų83.226%0.25844%0.442SS..EExtended strand (participates in β ladder)trans-160.8163178.300000113.1F168F168-G206 CarbonylContact O-C 3.53Å; F168-G206 WeakPolarHBondContact O-CA 3.34Å
207V92.6Very high77.5Confident23 Ų2386.4 Ų86.414%0.13948%0.479CS..EExtended strand (participates in β ladder)trans-154.9142.1-178.664.30000111F168 L182 V189 V190 L209F168-V207 HydrophobicContact CB-CG1 4.44Å; F168-V207 PolarHBondContact N-O 3.25Å; F168-V207 PolarHBondContact O-N 3.13Å; L182-V207 HydrophobicContact CD1-CG1 3.77Å; V189-V207 HydrophobicContact CG1-CG2 3.96Å; V190-V207 HydrophobicContact CG1-CG2 4.45Å; V190-V207 HydrophobicContact CG2-CB 4.18Å; V190-V207 HydrophobicContact CG2-CG1 4.26Å; V207-L209 HydrophobicContact CG1-CD1 3.89Å; V207-L209 HydrophobicContact CG1-CG 3.93Å; V207-L209 HydrophobicContact CG2-CD2 3.99Å; V207-L209 HydrophobicContact CG2-CG 4.1Å
208L92.1Very high75.7Confident108 Ų10883.4 Ų83.457%0.56546%0.457SS*.EExtended strand (participates in β ladder)trans-89.2124.5168.3-76.2167000109.7L165 Y166 Y167L165-L208 HydrophobicContact CD1-CB 4.32Å; L165-L208 HydrophobicContact CD2-CD2 4.38Å; L165-L208 HydrophobicContact CG-CD2 4.26Å; Y166-L208 CarbonylContact O-C 3.56Å; Y166-L208 VanDerWaalsContact O-CA 3.29Å; Y166-L208 WeakPolarHBondContact O-CA 3.06Å; Y167-L208 HydrophobicContact CD2-CD2 3.93Å; Y167-L208 HydrophobicContact CD2-CG 4.06Å; Y167-L208 HydrophobicContact CG-CD2 4.23Å
209L86.9Confident74.1Confident18 Ų1880.1 Ų80.19%0.09446%0.455CS..EExtended strand (participates in β ladder)trans-129.8124.3-179.6-65.8175.4000111.1Y166 F168 R184 V189 V207 L211Y166-L209 PolarHBondContact N-O 2.83Å; Y166-L209 PolarHBondContact O-N 2.79Å; F168-L209 HydrophobicContact CD2-CB 4.41Å; F168-L209 HydrophobicContact CD2-CD1 4.04Å; F168-L209 HydrophobicContact CD2-CG 4.47Å; F168-L209 HydrophobicContact CE2-CB 4.25Å; F168-L209 HydrophobicContact CE2-CD1 4.22Å; R184-L209 HydrophobicContact CB-CD1 4.4Å; V189-L209 HydrophobicContact CG1-CD2 3.86Å; V207-L209 HydrophobicContact CG1-CD1 3.89Å; V207-L209 HydrophobicContact CG1-CG 3.93Å; V207-L209 HydrophobicContact CG2-CD2 3.99Å; V207-L209 HydrophobicContact CG2-CG 4.1Å; L209-L211 HydrophobicContact CB-CD2 4.08Å; L209-L211 HydrophobicContact CB-CG 4.46Å; L209-L211 PolarHBondContact O-N 2.75Å
210R85.8Confident72.2Confident197 Ų19783.9 Ų83.974%0.74346%0.462SS*.EExtended strand (participates in β ladder)trans-81.2109169.5-170.5173.3-175.5138.7-0.3109.9G164 L165 R184G164-R210 CarbonylContact O-C 3.42Å; G164-R210 WeakPolarHBondContact O-CA 3.44Å; L165-R210 HydrophobicContact CD1-CB 4.22Å; R184-R210 PolarHBondContact NH1-O 2.83Å; R184-R210 PolarHBondContact NH2-O 2.74Å
211L85.2Confident70.3Confident9 Ų981.8 Ų81.85%0.04745%0.454CS..EExtended strand (participates in β ladder)trans-100.8145.6-179.1-56.5-176.8000110.8F158 C160 P163 G164 Y166 F168 R184 L209 P223F158-L211 HydrophobicContact CD1-CD1 4.31Å; F158-L211 HydrophobicContact CE1-CD1 3.73Å; C160-L211 HydrophobicContact CB-CB 4.06Å; C160-L211 HydrophobicContact CB-CD1 3.95Å; P163-L211 WeakPolarHBondContact CA-O 3.05Å; G164-L211 PolarHBondContact N-O 2.84Å; G164-L211 PolarHBondContact O-N 3.2Å; Y166-L211 HydrophobicContact CD2-CB 3.95Å; Y166-L211 HydrophobicContact CD2-CD1 3.8Å; Y166-L211 HydrophobicContact CD2-CG 3.91Å; Y166-L211 HydrophobicContact CE2-CB 4.17Å; Y166-L211 HydrophobicContact CE2-CD1 4.27Å; Y166-L211 HydrophobicContact CG-CD1 4.05Å; Y166-L211 HydrophobicContact CG-CG 4.47Å; F168-L211 HydrophobicContact CE2-CD1 3.94Å; F168-L211 HydrophobicContact CZ-CD1 3.81Å; R184-L211 HydrophobicContact CG-CD2 4.3Å; L209-L211 HydrophobicContact CB-CD2 4.08Å; L209-L211 HydrophobicContact CB-CG 4.46Å; L209-L211 PolarHBondContact O-N 2.75Å; L211-P223 HydrophobicContact CD1-CG 4.14Å
212Q81.4Confident68.6Low151 Ų15179.2 Ų79.271%0.70644%0.444SS*.PPolyproline II helixtrans-96.4136.7170-63.3-176.72.700107.5
213G63.7Low66.9Low16 Ų1675.7 Ų75.717%0.16542%0.423CS..PPolyproline II helixtrans-62.6140.7178.200000109.4Q215G213-Q215 VanDerWaalsContact C-N 3.31Å; G213-Q215 PolarHBondContact O-N 2.8Å
214G58.4Low65.5Low58 Ų5876.1 Ų76.160%0.59843%0.428SS*.  trans-59.391.3176.300000111C160 R216C160-G214 PolarHBondContact O-N 2.87Å; C160-G214 VanDerWaalsContact O-N 3.11Å; G214-R216 PolarHBondContact O-N 2.91Å
215Q37.4Very low64Low160 Ų16073.8 Ų73.875%0.74841%0.411SS*.  trans-61132.9158.6-75.2-172.7-0.800106.7G213 G217 S218G213-Q215 VanDerWaalsContact C-N 3.31Å; G213-Q215 PolarHBondContact O-N 2.8Å; Q215-G217 PolarHBondContact O-N 3.3Å; Q215-S218 PolarHBondContact O-N 2.9Å
216R38.2Very low62.3Low263 Ų26374 Ų7499%0.99241%0.412SS*.THydrogen-bonded Turntrans-48.8106.2166.7-87.8-177.4175.5-176.1-1.1107.5G214G214-R216 PolarHBondContact O-N 2.91Å
217G40.1Very low60.5Low84 Ų8472.9 Ų72.987%0.86640%0.4SS*.THydrogen-bonded Turntrans114.9-7.1-177.900000117.2Q215 S219Q215-G217 PolarHBondContact O-N 3.3Å; G217-S219 PolarHBondContact O-N 2.72Å
218S37.6Very low58.1Low49 Ų4976.2 Ų76.234%0.34342%0.415SS..  trans-91.4101.8172.9-179.30000110.7Q215 H220Q215-S218 PolarHBondContact O-N 2.9Å; S218-H220 PolarHBondContact O-N 3.45Å; S218-H220 PolarHBondContact OG-ND1 2.87Å
219S37.3Very low56Low114 Ų11476.1 Ų76.180%0.79742%0.415SS*.  trans-77.649.2-179.161.50000112.9G217 P221G217-S219 PolarHBondContact O-N 2.72Å; S219-P221 VanDerWaalsContact O-CD 3.24Å; S219-P221 WeakPolarHBondContact O-CD 3.32Å
220H43.5Very low54Low137 Ų13776.6 Ų76.663%0.63442%0.419SS*.  trans-91.9113.2172.1-73.383000109.3S218S218-H220 PolarHBondContact O-N 3.45Å; S218-H220 PolarHBondContact OG-ND1 2.87Å
221P46.5Very low52.1Low58 Ų5870.8 Ų70.838%0.37741%0.407SS..PPolyproline II helixtrans-56.3139.7179.7-21.724000112.6G185 S219G185-P221 WeakPolarHBondContact CA-O 3.49Å; G185-P221 PolarHBondContact N-O 3.12Å; S219-P221 VanDerWaalsContact O-CD 3.24Å; S219-P221 WeakPolarHBondContact O-CD 3.32Å
222P53.3Low50.5Low32 Ų3277.5 Ų77.521%0.20843%0.433CS..PPolyproline II helixtrans-56.5150175.122.6-34.5000112.2K157 F158K157-P222 HydrophobicContact CB-CB 4.13Å; K157-P222 HydrophobicContact CB-CG 3.71Å; K157-P222 HydrophobicContact CD-CG 3.72Å; K157-P222 HydrophobicContact CG-CG 4.01Å; F158-P222 WeakPolarHBondContact O-CA 3.36Å; F158-P222 WeakPolarHBondContact O-CB 3.34Å
223P57.2Low49.3Very low13 Ų1377.2 Ų77.28%0.08443%0.425CS..PPolyproline II helixtrans-62.2142.7169.925.5-33.4000111.6F158 F168 Y183 L211F158-P223 HydrophobicContact CB-CG 4.32Å; F158-P223 HydrophobicContact CD1-CG 3.6Å; F158-P223 HydrophobicContact CE1-CG 4.45Å; F158-P223 HydrophobicContact CG-CG 4.39Å; F158-P223 PolarHBondContact N-O 3.5Å; F158-P223 VanDerWaalsContact O-CD 3.32Å; F158-P223 WeakPolarHBondContact O-CD 3.42Å; F168-P223 HydrophobicContact CE1-CG 4.07Å; F168-P223 HydrophobicContact CE2-CG 4.14Å; F168-P223 HydrophobicContact CZ-CB 4.43Å; F168-P223 HydrophobicContact CZ-CG 3.63Å; Y183-P223 CarbonylContact O-C 3.52Å; Y183-P223 WeakPolarHBondContact O-CA 3.28Å; Y183-P223 WeakPolarHBondContact O-CB 3.18Å; L211-P223 HydrophobicContact CD1-CG 4.14Å
224S62.2Low48.6Very low21 Ų2176.6 Ų76.615%0.14742%0.418CS..EExtended strand (participates in β ladder)trans-156.1141.3-166.678.40000110.4L137 Y183L137-S224 WeakPolarHBondContact CD1-OG 3.49Å; Y183-S224 WeakPolarHBondContact CB-O 3.37Å; Y183-S224 PolarHBondContact N-O 3.42Å; Y183-S224 PolarHBondContact O-N 3.2Å
225A62.2Low48.5Very low5 Ų577.8 Ų77.84%0.04141%0.414CS..EExtended strand (participates in β ladder)trans-100.4141.1-17800000111.9L137 I138 V180 L181 L182L137-A225 CarbonylContact C-O 3.51Å; L137-A225 WeakPolarHBondContact CA-O 3.07Å; L137-A225 WeakPolarHBondContact CD1-O 3.46Å; I138-A225 HydrophobicContact CB-CB 4.44Å; I138-A225 HydrophobicContact CD1-CB 4.04Å; I138-A225 HydrophobicContact CG1-CB 4.49Å; I138-A225 PolarHBondContact N-O 2.78Å; V180-A225 HydrophobicContact CG1-CB 4.43Å; L181-A225 CarbonylContact O-C 3.59Å; L181-A225 VanDerWaalsContact O-CA 3.22Å; L181-A225 WeakPolarHBondContact O-CA 3.47Å; L182-A225 HydrophobicContact CD2-CB 4.1Å
226S56.8Low49.4Very low14 Ų1470.2 Ų70.210%0.09838%0.379CS..EExtended strand (participates in β ladder)trans-131.3148.1177.9-162.40000111.5S136 L181S136-S226 VanDerWaalsContact C-OG 3.22Å; S136-S226 WeakPolarHBondContact O-CA 3.29Å; S136-S226 PolarHBondContact O-OG 3.01Å; L181-S226 PolarHBondContact N-O 3.22Å; L181-S226 PolarHBondContact O-N 3.22Å
227C51.6Low50.3Low1 Ų160.8 Ų60.81%0.00735%0.347CS..EExtended strand (participates in β ladder)trans-103.3142.2171.9-71.90000111.2N135 S136 I138 L178 C179N135-C227 CarbonylContact C-O 3.57Å; N135-C227 WeakPolarHBondContact CA-O 3.26Å; N135-C227 PolarHBondContact N-O 2.94Å; S136-C227 PolarHBondContact N-O 3.08Å; S136-C227 PolarHBondContact O-N 3.42Å; S136-C227 VanDerWaalsContact O-N 3.1Å; I138-C227 WeakPolarHBondContact CD1-SG 3.44Å; I138-C227 HydrophobicContact CG1-CB 4.45Å; I138-C227 WeakPolarHBondContact CG1-SG 3.44Å; L178-C227 HydrophobicContact CD1-CB 4.45Å; C179-C227 WeakPolarHBondContact O-CA 3.28Å
228M44Very low51.7Low93 Ų9357.4 Ų57.446%0.45831%0.309SS..SBendtrans-100.3-24.7172.4-74.7-157.683.800115.2N135 C179 L181N135-M228 WeakPolarHBondContact OD1-CA 3.46Å; N135-M228 WeakPolarHBondContact OD1-CB 3.29Å; N135-M228 WeakPolarHBondContact OD1-CE 3.1Å; N135-M228 WeakPolarHBondContact OD1-CG 3.38Å; N135-M228 PolarHBondContact OD1-O 3.21Å; C179-M228 PolarHBondContact O-N 2.88Å; L181-M228 HydrophobicContact CD1-CB 4.4Å; L181-M228 HydrophobicContact CD1-CG 3.86Å; L181-M228 HydrophobicContact CD2-CG 4.05Å; L181-M228 HydrophobicContact CD2-SD 4.14Å
229D47Very low52.2Low105 Ų10557.2 Ų57.256%0.56131%0.311SS*.  trans-143.3116179.2-86.3-44.9000112N177N177-D229 VanDerWaalsContact O-O 3.09Å
230P45Very low52.9Low28 Ų2854.4 Ų54.418%0.18229%0.286CS..  trans-120143.5157.327.9-11.5000111P131 P132 P134P131-P230 HydrophobicContact CB-CB 3.92Å; P132-P230 WeakPolarHBondContact O-CG 3.44Å; P134-P230 HydrophobicContact CG-CG 4.29Å
231P45.3Very low53.4Low76 Ų7650 Ų5049%0.49427%0.268SS..SBend-122.2138.8103.235.3-30.4000109.3A176A176-P231 VanDerWaalsContact CB-O 3.22Å; A176-P231 WeakPolarHBondContact CB-O 3.03Å
232Y53Low53.8Low150 Ų15049.6 Ų49.659%0.58826%0.262SS*.SBendtrans92.4168.6170.6-45.4-69.7000119P234Y232-P234 VanDerWaalsContact O-CD 3.28Å; Y232-P234 WeakPolarHBondContact O-CD 3.24Å
233R55.5Low53.8Low144 Ų14450.6 Ų50.654%0.54327%0.265SS..  trans-83.2111-133.3-48-178.3174.5174.4-3.6113H129H129-R233 PolarHBondContact ND1-NH1 3.49Å; H129-R233 WeakPolarHBondContact O-CG 3.18Å
234P49.6Very low53.6Low3 Ų352.9 Ų52.92%0.01928%0.276CS..  trans-103.3118.9174.135.5-24.4000112.1P132 S173 L178 Y232 C236P132-P234 HydrophobicContact CG-CG 4.24Å; S173-P234 WeakPolarHBondContact O-CA 3.28Å; S173-P234 WeakPolarHBondContact O-CB 3.37Å; L178-P234 HydrophobicContact CD2-CB 4.43Å; Y232-P234 VanDerWaalsContact O-CD 3.28Å; Y232-P234 WeakPolarHBondContact O-CD 3.24Å; P234-C236 PolarHBondContact O-N 3.28Å
235V55Low53Low83 Ų8355.1 Ų55.150%0.50329%0.285SS..  trans-81.4105.7159.5-179.70000105.9S173S173-V235 PolarHBondContact N-O 2.78Å
236C57.1Low52.4Low2 Ų258.6 Ų58.61%0.01430%0.303CS..EExtended strand (participates in β ladder)trans-103.9133.9177.7-57.10000109.2A125 R126 F140 H171 A172 P234A125-C236 CarbonylContact C-O 3.54Å; A125-C236 VanDerWaalsContact CA-O 3.28Å; A125-C236 WeakPolarHBondContact CA-O 3.39Å; R126-C236 HydrophobicContact CB-CB 4.29Å; R126-C236 PolarHBondContact N-O 3Å; F140-C236 HydrophobicContact CD1-CB 4.07Å; F140-C236 WeakPolarHBondContact CD1-O 3.44Å; F140-C236 VanDerWaalsContact CE1-C 3.47Å; F140-C236 HydrophobicContact CE1-CB 3.21Å; F140-C236 VanDerWaalsContact CE1-O 3.32Å; F140-C236 WeakPolarHBondContact CE1-O 3.34Å; F140-C236 HydrophobicContact CZ-CB 3.68Å; H171-C236 CarbonylContact O-C 3.41Å; H171-C236 WeakPolarHBondContact O-CA 3.43Å; A172-C236 HydrophobicContact CB-CB 4.31Å; A172-C236 VanDerWaalsContact CB-SG 3.52Å; P234-C236 PolarHBondContact O-N 3.28Å
237I56Low52Low64 Ų6462.1 Ų62.133%0.32832%0.318SS..EExtended strand (participates in β ladder)trans-113.8130.1167-58.8172000106.9T123 V124 Y170 H171T123-I237 HydrophobicContact CG2-CG2 3.75Å; V124-I237 CarbonylContact O-C 3.53Å; V124-I237 WeakPolarHBondContact O-CA 3.25Å; Y170-I237 CarbonylContact C-O 3.57Å; Y170-I237 WeakPolarHBondContact CA-O 3.31Å; Y170-I237 VanDerWaalsContact CB-O 3.31Å; Y170-I237 WeakPolarHBondContact CB-O 3.11Å; H171-I237 PolarHBondContact N-O 2.76Å; H171-I237 PolarHBondContact O-N 3.02Å
238L69.9Low52.1Low13 Ų1367.2 Ų67.27%0.06834%0.344CS..EExtended strand (participates in β ladder)trans-118.7123.7172.5-179.371.9000107.6F122 T123 V124 F140 Y151 V169F122-L238 HydrophobicContact CE2-CD2 3.71Å; F122-L238 HydrophobicContact CE2-CG 3.79Å; F122-L238 HydrophobicContact CZ-CD2 4.16Å; F122-L238 HydrophobicContact CZ-CG 4.28Å; T123-L238 CarbonylContact C-O 3.48Å; T123-L238 VanDerWaalsContact CA-O 3.28Å; T123-L238 WeakPolarHBondContact CA-O 3.22Å; V124-L238 HydrophobicContact CG2-CB 3.98Å; V124-L238 PolarHBondContact N-O 3.47Å; V124-L238 PolarHBondContact O-N 3.32Å; F140-L238 HydrophobicContact CD1-CB 4.25Å; F140-L238 HydrophobicContact CE1-CB 3.73Å; F140-L238 HydrophobicContact CE2-CB 4.13Å; F140-L238 HydrophobicContact CE2-CD2 4.15Å; F140-L238 HydrophobicContact CZ-CB 3.69Å; F140-L238 HydrophobicContact CZ-CD2 4.47Å; Y151-L238 HydrophobicContact CE2-CD2 4.27Å; V169-L238 WeakPolarHBondContact O-CA 3.5Å; V169-L238 WeakPolarHBondContact O-CD1 3.49Å
239A47.4Very low52.8Low45 Ų4564.8 Ų64.837%0.37233%0.334SS..  trans-120.8017800000111.2F122 T123 V169F122-A239 WeakPolarHBondContact O-CA 3.37Å; T123-A239 HydrophobicContact CG2-CB 4.2Å; V169-A239 HydrophobicContact CG1-CB 3.9Å; V169-A239 PolarHBondContact N-O 2.04Å; V169-A239 PolarHBondContact O-N 2.93Å; V169-A239 VanDerWaalsContact O-O 3.12Å

Retrieved 239 of 239 residues in 112.2 ms (Link to these results)