A0A087YCK5_POEFO Loading...

Collagen, type X, alpha 1a

AlphaFold DB , UniProt , Accession A0A087YCK5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 647 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
1M44.7Very low57.3Low203 Ų203122.6 Ų122.6100%164%0.642SS**  023.80-147147.4169.500112.6
2D54.5Low57.9Low140 Ų140116 Ų11675%0.74961%0.607SS**THydrogen-bonded Turntrans-127.170.4-142.9-50.6-67.7000113.6
3L45.7Very low58.3Low134 Ų134114.5 Ų114.570%0.70261%0.605SS**THydrogen-bonded Turntrans-152.4-48.7158.5-145.973.5000110.7V5 A6 S7L3-V5 VanDerWaalsContact C-N 3.34Å; L3-V5 PolarHBondContact O-N 3.37Å; L3-A6 PolarHBondContact O-N 3.25Å; L3-S7 PolarHBondContact O-N 3.34Å; L3-S7 PolarHBondContact O-OG 3.48Å
4R48.4Very low58.3Low217 Ų217110.6 Ų110.682%0.81960%0.597SS**Hα-helixtrans-58.9-42.6177.6-62.6-172.2-177.2-162.21.2112.4S7 I8R4-S7 PolarHBondContact O-N 3.37Å; R4-I8 WeakPolarHBondContact O-CB 3.48Å; R4-I8 WeakPolarHBondContact O-CD1 3.48Å; R4-I8 VanDerWaalsContact O-CG1 3.24Å; R4-I8 WeakPolarHBondContact O-CG1 3.47Å; R4-I8 PolarHBondContact O-N 3.45Å
5V60.3Low57.7Low95 Ų95105.7 Ų105.758%0.57657%0.574SS**Hα-helixtrans-61.9-45.1176.6-176.10000111.1L3 I8 L9L3-V5 VanDerWaalsContact C-N 3.34Å; L3-V5 PolarHBondContact O-N 3.37Å; V5-I8 PolarHBondContact O-N 3.04Å; V5-L9 PolarHBondContact O-N 3.29Å
6A62.3Low57.3Low58 Ų58103.1 Ų103.148%0.47957%0.572SS.*Hα-helixtrans-64.8-43.5177.700000112.1L3 I8 L9 L10L3-A6 PolarHBondContact O-N 3.25Å; A6-I8 PolarHBondContact O-N 3.44Å; A6-L9 PolarHBondContact O-N 2.8Å; A6-L10 WeakPolarHBondContact O-CB 3.41Å; A6-L10 PolarHBondContact O-N 3.3Å
7S55.5Low56.8Low66 Ų66102.4 Ų102.446%0.46258%0.582SS.*Hα-helixtrans-64-37.3176.1-58.60000113L3 R4 L11L3-S7 PolarHBondContact O-N 3.34Å; L3-S7 PolarHBondContact O-OG 3.48Å; R4-S7 PolarHBondContact O-N 3.37Å; S7-L11 WeakPolarHBondContact O-CB 3.38Å; S7-L11 PolarHBondContact O-N 3.41Å
8I65.3Low56.2Low77 Ų77101 Ų10140%0.39559%0.586SS.*Hα-helixtrans-64.8-46.7174.1-72164.5000110.2R4 V5 A6 L10 L11 I12R4-I8 WeakPolarHBondContact O-CB 3.48Å; R4-I8 WeakPolarHBondContact O-CD1 3.48Å; R4-I8 VanDerWaalsContact O-CG1 3.24Å; R4-I8 WeakPolarHBondContact O-CG1 3.47Å; R4-I8 PolarHBondContact O-N 3.45Å; V5-I8 PolarHBondContact O-N 3.04Å; A6-I8 PolarHBondContact O-N 3.44Å; I8-L10 VanDerWaalsContact C-N 3.33Å; I8-L10 PolarHBondContact O-N 3.06Å; I8-L11 PolarHBondContact O-N 2.97Å; I8-I12 HydrophobicContact CG2-CD1 3.7Å; I8-I12 HydrophobicContact CG2-CG1 4.49Å; I8-I12 WeakPolarHBondContact O-CD1 3.24Å; I8-I12 VanDerWaalsContact O-CG1 3.27Å; I8-I12 WeakPolarHBondContact O-CG1 3.36Å; I8-I12 PolarHBondContact O-N 3.29Å
9L65.8Low55.8Low116 Ų11698.9 Ų98.961%0.60758%0.575SS**Hα-helixtrans-58.7-44.3177-165.975.4000111.9V5 A6 I12 V13V5-L9 PolarHBondContact O-N 3.29Å; A6-L9 PolarHBondContact O-N 2.8Å; L9-I12 PolarHBondContact O-N 2.96Å; L9-V13 WeakPolarHBondContact O-CG2 3.36Å; L9-V13 PolarHBondContact O-N 3.25Å
10L64.7Low55Low128 Ų12897.9 Ų97.967%0.6759%0.587SS**Hα-helixtrans-67.5-35.8-179.4-144.7160.9000111.7A6 I8 A14A6-L10 WeakPolarHBondContact O-CB 3.41Å; A6-L10 PolarHBondContact O-N 3.3Å; I8-L10 VanDerWaalsContact C-N 3.33Å; I8-L10 PolarHBondContact O-N 3.06Å; L10-A14 WeakPolarHBondContact O-CB 3.33Å; L10-A14 PolarHBondContact O-N 3.25Å
11L63.3Low54.3Low115 Ų115102 Ų10260%0.60260%0.597SS**Hα-helixtrans-63.3-47170.4-102.8160.9000112.2S7 I8 V13 A14 S15S7-L11 WeakPolarHBondContact O-CB 3.38Å; S7-L11 PolarHBondContact O-N 3.41Å; I8-L11 PolarHBondContact O-N 2.97Å; L11-V13 PolarHBondContact O-N 3.14Å; L11-A14 PolarHBondContact O-N 2.75Å; L11-S15 PolarHBondContact O-N 3.46Å; L11-S15 PolarHBondContact O-OG 3.03Å
12I64.8Low53.9Low43 Ų4396 Ų9622%0.22159%0.586CS.*Hα-helixtrans-59.8-45.9179.3-66.4157.9000110.8I8 L9 S15 A16 I644I8-I12 HydrophobicContact CG2-CD1 3.7Å; I8-I12 HydrophobicContact CG2-CG1 4.49Å; I8-I12 WeakPolarHBondContact O-CD1 3.24Å; I8-I12 VanDerWaalsContact O-CG1 3.27Å; I8-I12 WeakPolarHBondContact O-CG1 3.36Å; I8-I12 PolarHBondContact O-N 3.29Å; L9-I12 PolarHBondContact O-N 2.96Å; I12-S15 PolarHBondContact O-N 3.36Å; I12-A16 WeakPolarHBondContact O-CB 3.39Å; I12-A16 PolarHBondContact O-N 2.74Å; I12-I644 HydrophobicContact CD1-CG2 3.55Å; I12-I644 HydrophobicContact CG1-CG2 3.85Å; I12-I644 HydrophobicContact CG2-CG2 4.41Å
13V62.5Low53.1Low97 Ų9797.8 Ų97.859%0.58858%0.584SS**Hα-helixtrans-63.5-41.9177.7172.70000111.4L9 L11 A17L9-V13 WeakPolarHBondContact O-CG2 3.36Å; L9-V13 PolarHBondContact O-N 3.25Å; L11-V13 PolarHBondContact O-N 3.14Å; V13-A17 PolarHBondContact O-N 3.46Å
14A57.9Low52.5Low60 Ų6097.2 Ų97.250%0.49659%0.586SS.*Hα-helixtrans-65.7-38.1176.900000113L10 L11L10-A14 WeakPolarHBondContact O-CB 3.33Å; L10-A14 PolarHBondContact O-N 3.25Å; L11-A14 PolarHBondContact O-N 2.75Å
15S50.3Low51.7Low36 Ų3693.8 Ų93.825%0.25259%0.589SS.*Hα-helixtrans-67-48175.4-66.10000112.2L11 I12 A17 A18L11-S15 PolarHBondContact O-N 3.46Å; L11-S15 PolarHBondContact O-OG 3.03Å; I12-S15 PolarHBondContact O-N 3.36Å; S15-A17 PolarHBondContact O-N 3.39Å; S15-A18 WeakPolarHBondContact O-CB 3.34Å; S15-A18 PolarHBondContact O-N 3.22Å
16A51Low50.3Low65 Ų6597.7 Ų97.754%0.53760%0.598SS.*Hα-helixtrans-62.9-27.8-177.600000113.4I12 A18I12-A16 WeakPolarHBondContact O-CB 3.39Å; I12-A16 PolarHBondContact O-N 2.74Å; A16-A18 VanDerWaalsContact C-N 3.31Å; A16-A18 PolarHBondContact O-N 2.97Å
17A49.3Very low48.7Very low90 Ų90104.6 Ų104.674%0.74462%0.617SS**THydrogen-bonded Turntrans-74.9-15.2175.500000114.2V13 S15V13-A17 PolarHBondContact O-N 3.46Å; S15-A17 PolarHBondContact O-N 3.39Å
18A45.6Very low47.5Very low78 Ų78107.3 Ų107.365%0.64563%0.631SS**THydrogen-bonded Turntrans-93.6-31.1-168.500000114.8S15 A16S15-A18 WeakPolarHBondContact O-CB 3.34Å; S15-A18 PolarHBondContact O-N 3.22Å; A16-A18 VanDerWaalsContact C-N 3.31Å; A16-A18 PolarHBondContact O-N 2.97Å
19T48.7Very low45.8Very low61 Ų61109.5 Ų109.537%0.37465%0.647SS.*  trans-121.753.4-169.162.50000114.1K21 T647T19-K21 PolarHBondContact O-N 2.76Å; T19-T647 WeakPolarHBondContact CB-OXT 3.04Å; T19-T647 WeakPolarHBondContact OG1-CA 3.47Å; T19-T647 PolarHBondContact OG1-OXT 2.76Å
20G40.3Very low44.3Very low79 Ų79109.5 Ų109.581%0.81465%0.654SS**  trans-68.561.5176.900000116
21K39Very low42.5Very low184 Ų184112.3 Ų112.380%0.867%0.666SS**  trans-143.788.4172.8-73.7-171.7178.3175.90111.7T19T19-K21 PolarHBondContact O-N 2.76Å
22G37.8Very low41.4Very low76 Ų76114.5 Ų114.578%0.78468%0.679SS**  trans-64.4140-178.400000114.6
23Y37.3Very low39.9Very low178 Ų178118.5 Ų118.570%0.69871%0.705SS**  trans-75.8142.2173.8-75.8-99.6000112
24V32.8Very low39Very low122 Ų122123.6 Ų123.674%0.73972%0.719SS**  trans-122.1107.4175.9179.80000110K26V24-K26 HydrophobicContact CG1-CG 4.4Å; V24-K26 PolarHBondContact O-N 3.44Å
25V32Very low37.8Very low145 Ų145125 Ų12588%0.87973%0.726SS**  trans-75.294.8178.8-177.30000110.3K27V25-K27 PolarHBondContact O-N 3.39Å
26K29.8Very low37.2Very low178 Ų178132.5 Ų132.577%0.77476%0.756SS**  trans-80.1102.1175.5-77.9-171.5174.8-179.50111.9V24 V28V24-K26 HydrophobicContact CG1-CG 4.4Å; V24-K26 PolarHBondContact O-N 3.44Å; K26-V28 PolarHBondContact O-N 3.48Å
27K29.1Very low36.5Very low202 Ų202134.1 Ų134.188%0.87876%0.759SS**  trans-80.8108.6163.5-164.5171.3-172.3173.10109.3V25V25-K27 PolarHBondContact O-N 3.39Å
28V29.7Very low36Very low124 Ų124135.6 Ų135.675%0.75276%0.758SS**  trans-82.3120.9-172.1-178.80000111.6K26K26-V28 PolarHBondContact O-N 3.48Å
29V29.4Very low35.5Very low122 Ų122136.7 Ų136.774%0.73976%0.762SS**  trans-133.7128162.7-176.20000107.5M31V29-M31 PolarHBondContact O-N 2.96Å
30P34.8Very low35.4Very low116 Ų116138.7 Ų138.775%0.75377%0.773SS**  trans-90.2110.2-169.932.8-33.4000113.2
31M26.7Very low35.5Very low187 Ų187139.1 Ų139.192%0.92177%0.769SS**  trans-134.7157.3151.7-73.2-152.3-178.300110.4V29V29-M31 PolarHBondContact O-N 2.96Å
32N41.2Very low36.1Very low161 Ų161132.1 Ų132.186%0.86175%0.75SS**  trans-126.9106.2-162.9-177.216.2000110.7
33V33.3Very low36.5Very low128 Ų128137 Ų13778%0.77675%0.752SS**  trans-134.9138.7-179.6-1730000109.8
34K42.5Very low37Very low204 Ų204133.2 Ų133.289%0.88775%0.749SS**  trans-80.7126.6178.3-61.5178.6-179.4179.10110.5
35S34.1Very low37.8Very low90 Ų90129.2 Ų129.263%0.62973%0.732SS**  trans-94.2147.1171.149.90000111.7
36H37.5Very low38.6Very low192 Ų192127.8 Ų127.889%0.88973%0.726SS**  trans-105.7132.4162.7-98-73.3000108.3
37V35.8Very low39.8Very low100 Ų100124 Ų12461%0.60672%0.719SS**  trans-83.4134.7176.5-1780000109.8
38V39.7Very low41Very low120 Ų120116.5 Ų116.573%0.72770%0.7SS**  trans-131.6116167.51800000107.5
39S34.3Very low42.1Very low102 Ų102119.2 Ų119.271%0.71371%0.705SS**  trans-76.1131.4-179.8-490000111
40V45.8Very low43.4Very low102 Ų102118.5 Ų118.562%0.61870%0.702SS**  trans-117.4133.8171.6-177.50000108.1P498V40-P498 WeakPolarHBondContact O-CB 3.27Å
41A43.3Very low44.5Very low88 Ų88115.8 Ų115.873%0.72770%0.696SS**PPolyproline II helixtrans-67.9136.617900000111
42G51Low45.9Very low38 Ų38113.1 Ų113.139%0.39269%0.692SS.*PPolyproline II helixtrans-71.5153173.500000112
43E46.8Very low46.7Very low179 Ų179113 Ų11384%0.83669%0.687SS**PPolyproline II helixtrans-67150.8175.1-63.7-163.2124.100111.5
44P47.7Very low47.9Very low98 Ų98109.6 Ų109.664%0.63668%0.677SS**PPolyproline II helixtrans-59138.9172.9-21.833.6000111.6P495P44-P495 HydrophobicContact CB-CG 4.35Å; P44-P495 HydrophobicContact CG-CG 4.34Å
45G50.4Low48.5Very low37 Ų37106.2 Ų106.238%0.38168%0.676SS.*PPolyproline II helixtrans-64.2159.2173.900000112.2
46P46.8Very low49.7Very low116 Ų116109.6 Ų109.675%0.75368%0.682SS**PPolyproline II helixtrans-58151.8173.426.5-34.6000110.9G48P46-G48 PolarHBondContact O-N 2.91Å
47P55.1Low50.7Low97 Ų97103 Ų10363%0.6367%0.665SS**PPolyproline II helixtrans-53.7140.2172.6-24.234.2000111.2P492P47-P492 HydrophobicContact CG-CG 4.46Å
48G54.4Low51.5Low46 Ų46104 Ų10447%0.47467%0.674SS.*PPolyproline II helixtrans-64.1153.9175.300000111.6P46P46-G48 PolarHBondContact O-N 2.91Å
49E53.7Low52.5Low181 Ų181104.4 Ų104.485%0.84668%0.679SS**PPolyproline II helixtrans-58147.3175-62.7-171.7144.200110.9G51E49-G51 PolarHBondContact O-N 2.74Å
50P57.1Low53.5Low106 Ų106102.6 Ų102.669%0.68868%0.676SS**PPolyproline II helixtrans-53.4137.4173.6-25.535000111.3
51G58.4Low53.9Low60 Ų60103.4 Ų103.462%0.61968%0.684SS**PPolyproline II helixtrans-60.3151.6176.200000111.5E49 E53E49-G51 PolarHBondContact O-N 2.74Å; G51-E53 PolarHBondContact O-N 3.24Å
52P54.5Low54.7Low131 Ų131105.1 Ų105.185%0.85169%0.687SS**PPolyproline II helixtrans-57.4141.1177.525.7-34.7000110.6
53E59.7Low54.8Low159 Ų159106.9 Ų106.974%0.74371%0.706SS**PPolyproline II helixtrans-56.3137.3-177.7-166.9164.4-131.400111.2G51G51-E53 PolarHBondContact O-N 3.24Å
54G58.1Low55.1Low56 Ų56107.5 Ų107.558%0.57771%0.708SS**PPolyproline II helixtrans-63.8145.7-175.400000111.6Q56G54-Q56 PolarHBondContact O-N 3.35Å
55P54.3Low55.3Low132 Ų132110.3 Ų110.386%0.85772%0.718SS**PPolyproline II helixtrans-58.4130.4176.125.7-34.1000109.8G57P55-G57 PolarHBondContact O-N 2.86Å
56Q59.5Low55Low162 Ų162112.2 Ų112.276%0.75774%0.737SS**PPolyproline II helixtrans-51.8133-176-167.417652.300110.8G54 D483G54-Q56 PolarHBondContact O-N 3.35Å; Q56-D483 PolarHBondContact NE2-OD1 3.31Å
57G57.6Low55.4Low52 Ų52111.7 Ų111.754%0.53673%0.732SS.*PPolyproline II helixtrans-57.7147.8-176.500000112.3P55P55-G57 PolarHBondContact O-N 2.86Å
58P53.4Low54.8Low123 Ų123110.7 Ų110.780%0.79974%0.74SS**PPolyproline II helixtrans-58.4139177.925.8-34.3000110G60P58-G60 PolarHBondContact O-N 2.87Å
59P60.9Low54.5Low128 Ų128118.2 Ų118.283%0.83176%0.755SS**PPolyproline II helixtrans-51136.3179.4-29.135.4000112
60G54.7Low54.7Low63 Ų63115.2 Ų115.265%0.64975%0.754SS**PPolyproline II helixtrans-55.8147.7179.300000111.8P58P58-G60 PolarHBondContact O-N 2.87Å
61P55.5Low54.4Low119 Ų119113.3 Ų113.377%0.77375%0.753SS**PPolyproline II helixtrans-59.1144.1178.226.3-34.4000110.2G63P61-G63 PolarHBondContact O-N 2.92Å
62P58.3Low54.3Low124 Ų124116.6 Ų116.681%0.80576%0.764SS**PPolyproline II helixtrans-51.9133.8175.8-27.435000111.4Q64P62-Q64 PolarHBondContact O-N 3.02Å
63G54.8Low54.6Low75 Ų75119.4 Ų119.477%0.77377%0.766SS**PPolyproline II helixtrans-56.7133.7177.300000110.8P61P61-G63 PolarHBondContact O-N 2.92Å
64Q52.6Low54.4Low192 Ų192114.5 Ų114.590%0.89776%0.758SS**PPolyproline II helixtrans-63.9138.5179.2-68.4-179.8-11.500110.6P62 G66P62-Q64 PolarHBondContact O-N 3.02Å; Q64-G66 PolarHBondContact O-N 3.5Å; Q64-G66 VanDerWaalsContact O-N 3.07Å
65D51.3Low54.5Low158 Ų158117.8 Ų117.885%0.84577%0.769SS**  trans-56.4114.4177.1-71.6-56.5000110.9V67D65-V67 PolarHBondContact O-N 2.89Å
66G44.1Very low54.9Low76 Ų76117.7 Ų117.778%0.78477%0.769SS**  trans-67102.7-178.600000111.4Q64 G68Q64-G66 PolarHBondContact O-N 3.5Å; Q64-G66 VanDerWaalsContact O-N 3.07Å; G66-G68 PolarHBondContact O-N 3.44Å
67V56Low54.7Low106 Ų106113.1 Ų113.164%0.64277%0.765SS**  trans-6595.9173.8-176.80000109.1D65 Y69D65-V67 PolarHBondContact O-N 2.89Å; V67-Y69 VanDerWaalsContact C-N 3.32Å; V67-Y69 HydrophobicContact CB-CD2 4.47Å; V67-Y69 HydrophobicContact CB-CE2 4.05Å; V67-Y69 HydrophobicContact CG1-CD2 4.05Å; V67-Y69 HydrophobicContact CG1-CE1 4.49Å; V67-Y69 HydrophobicContact CG1-CE2 3.6Å; V67-Y69 VanDerWaalsContact O-CD2 3.28Å; V67-Y69 WeakPolarHBondContact O-CD2 3.32Å; V67-Y69 PolarHBondContact O-N 2.88Å
68G42.2Very low54.4Low76 Ų76116.8 Ų116.878%0.78478%0.779SS**  trans-70.480.9-179.400000112.5G66 S70G66-G68 PolarHBondContact O-N 3.44Å; G68-S70 PolarHBondContact O-N 2.57Å
69Y47.9Very low54.5Low204 Ų204117.4 Ų117.480%0.878%0.783SS**PPolyproline II helixtrans-61.8125.5167.8-70-81.8000110V67 G71V67-Y69 VanDerWaalsContact C-N 3.32Å; V67-Y69 HydrophobicContact CB-CD2 4.47Å; V67-Y69 HydrophobicContact CB-CE2 4.05Å; V67-Y69 HydrophobicContact CG1-CD2 4.05Å; V67-Y69 HydrophobicContact CG1-CE1 4.49Å; V67-Y69 HydrophobicContact CG1-CE2 3.6Å; V67-Y69 VanDerWaalsContact O-CD2 3.28Å; V67-Y69 WeakPolarHBondContact O-CD2 3.32Å; V67-Y69 PolarHBondContact O-N 2.88Å; Y69-G71 PolarHBondContact O-N 2.87Å
70S57.8Low53.4Low117 Ų117114.7 Ų114.782%0.81878%0.779SS**PPolyproline II helixtrans-63.9128.8174.5380000110.7G68G68-S70 PolarHBondContact O-N 2.57Å
71G50.9Low52.7Low66 Ų66121 Ų12168%0.6879%0.791SS**PPolyproline II helixtrans-58.6140.3176.800000111.5Y69Y69-G71 PolarHBondContact O-N 2.87Å
72P57Low52.5Low130 Ų130121.4 Ų121.484%0.84479%0.793SS**PPolyproline II helixtrans-63140.1-175.325.2-34000111.8G74P72-G74 PolarHBondContact O-N 2.87Å
73Q59.6Low51.6Low190 Ų190118.9 Ų118.989%0.88879%0.79SS**PPolyproline II helixtrans-59.7128.3-179.9-176.9176.7-200111.2
74G56.8Low50.8Low56 Ų56127.3 Ų127.358%0.57780%0.799SS**PPolyproline II helixtrans-61.2142.8177.800000112.4P72P72-G74 PolarHBondContact O-N 2.87Å
75P59.9Low50.1Low124 Ų124123 Ų12381%0.80579%0.79SS**PPolyproline II helixtrans-66.4148.4-175.726.7-34.6000112.3
76P62.8Low49.6Very low131 Ų131123.8 Ų123.885%0.85179%0.792SS**PPolyproline II helixtrans-64.5146-177.3-22.534000114.3
77G55.1Low49.2Very low66 Ų66124.8 Ų124.868%0.6879%0.793SS**PPolyproline II helixtrans-69.5148166.900000112.3
78P49.8Very low48.6Very low129 Ų129123.1 Ų123.184%0.83880%0.797SS**PPolyproline II helixtrans-73.6148.8-172.829.4-35.6000113.6
79P56.8Low48.4Very low136 Ų136129.4 Ų129.488%0.88380%0.803SS**PPolyproline II helixtrans-89.9153.8-175.435.5-36.4000114.5
80G37.4Very low48.1Very low71 Ų71126.1 Ų126.173%0.73281%0.807SS**  trans178.3150.3165.600000112.3
81Q40.1Very low47.1Very low195 Ų195124.2 Ų124.291%0.91181%0.806SS**  cis-143.2160.4-14.7-94.1-167.72.100109.6
82P52.2Low47Very low127 Ų127127.6 Ų127.683%0.82581%0.813SS**  trans-100.4146.3-161.236.6-34.4000116.4
83G38Very low46.8Very low71 Ų71127.1 Ų127.173%0.73281%0.81SS**  trans118.2112.113300000119
84R38.4Very low46.2Very low253 Ų253122.2 Ų122.296%0.95581%0.811SS**  -169.3172.7124.7-102.1164.9-168.4-96-0.7110.6
85S38.8Very low45.6Very low102 Ų102123.2 Ų123.271%0.71382%0.821SS**  trans-130.9171.6-150.1-430000113.8
86I39.7Very low45.3Very low174 Ų174123.9 Ų123.989%0.89283%0.825SS**  trans60.7149.2162.657.7169000117.8
87A35.3Very low44.6Very low96 Ų96121.3 Ų121.379%0.79382%0.822SS**  cis-148.3165.5-11.700000109.5
88G44.9Very low44Very low72 Ų72128.1 Ų128.174%0.74283%0.833SS**  trans-87174.5-173.900000116.3
89K36.4Very low44.2Very low208 Ų208128.1 Ų128.190%0.90483%0.833SS**  trans-139.2118.7165.7-74.5-167.3176.7-1750111.3
90P42.8Very low43.7Very low135 Ų135124.6 Ų124.688%0.87782%0.821SS**  trans-83.8166.6162.1-1.721000111.2
91G36.5Very low44.3Very low77 Ų77129.5 Ų129.579%0.79483%0.829SS**  trans133.1120.7161.500000115.7
92T47.8Very low44.6Very low137 Ų137126.3 Ų126.384%0.8483%0.825SS**  trans-104.6-165166.262.30000108.4
93P53.4Low44.1Very low119 Ų119123.7 Ų123.777%0.77382%0.821SS**  cis-135.2169.3-17.332.9-13.3000115.8
94G48.1Very low44.7Very low88 Ų88125 Ų12591%0.90783%0.826SS**  trans94.7131.9137.500000121.5
95G42.3Very low45.5Very low76 Ų76119.2 Ų119.278%0.78482%0.821SS**  trans170.4139.5169.100000114.2
96P55.3Low45.7Very low138 Ų138117.9 Ų117.990%0.89682%0.823SS**  trans-129.4162.6-16942-28.9000119.2
97G47.4Very low46Very low77 Ų77118.5 Ų118.579%0.79482%0.822SS**  trans109.7150.9166.200000115.5
98K42.3Very low46.7Very low209 Ų209122.7 Ų122.791%0.90982%0.817SS**  cis-154.6168.31.1-107.9-172175.3-176.40111.8
99P53.2Low46.8Very low129 Ų129122.7 Ų122.784%0.83882%0.818SS**  trans-97.9-177.4-173.840.4-38000115.1
100G48.3Very low47.2Very low62 Ų62118.8 Ų118.864%0.63981%0.807SS**  cis151.4172.3-4.600000114.4
101I48.2Very low47.8Very low175 Ų175118.7 Ų118.790%0.89780%0.804SS**  trans58.1169.9172.555.3169.8000119
102P48Very low48.1Very low127 Ų127118.5 Ų118.583%0.82580%0.802SS**  cis-122.5-161.6-743.2-27.1000113.3
103G41.5Very low48Very low72 Ų72117 Ų11774%0.74280%0.803SS**  cis150.8132.4-2100000117.6
104A50.3Low48.1Very low100 Ų100117.7 Ų117.783%0.82681%0.805SS**  trans79.4179.5155.300000121.1
105P55.9Low47.9Very low131 Ų131116.8 Ų116.885%0.85180%0.796SS**  -141.9-177.5-7544.5-28.5000117.8
106G42.6Very low48.2Very low74 Ų74119.2 Ų119.276%0.76380%0.798SS**  trans108.516015100000118.3
107E45.1Very low48.3Very low187 Ų187121.9 Ų121.987%0.87480%0.799SS**  cis-155.1-169-30.2-137.9-173.5179.200112.2
108R51.3Low48.7Very low183 Ų183121.3 Ų121.369%0.69179%0.792SS**  trans-80.4162-151.5-158-160.2-58.4166.67.2117.5D110R108-D110 VanDerWaalsContact CD-CG 3.48Å; R108-D110 WeakPolarHBondContact CD-OD1 3.48Å; R108-D110 IonicContact CZ-OD1 2.64Å; R108-D110 IonicContact NE-OD1 2.74Å; R108-D110 IonicContact NH1-OD1 3.91Å; R108-D110 PolarHBondContact NH1-OD1 3.3Å; R108-D110 IonicContact NH1-OD2 2.76Å
109G45Very low49.3Very low73 Ų73117.7 Ų117.775%0.75379%0.79SS**  trans-130141.5146.100000110.8
110D46.8Very low49.4Very low125 Ų125122.6 Ų122.667%0.66879%0.792SS**PPolyproline II helixtrans-92.3167.7-156.6-74.5-86.5000118.5R108R108-D110 VanDerWaalsContact CD-CG 3.48Å; R108-D110 WeakPolarHBondContact CD-OD1 3.48Å; R108-D110 IonicContact CZ-OD1 2.64Å; R108-D110 IonicContact NE-OD1 2.74Å; R108-D110 IonicContact NH1-OD1 3.91Å; R108-D110 PolarHBondContact NH1-OD1 3.3Å; R108-D110 IonicContact NH1-OD2 2.76Å
111T54.9Low49.5Very low134 Ų134122.8 Ų122.882%0.82279%0.794SS**PPolyproline II helixtrans-82.9146.9-171.3-54.20000114.9
112G42.8Very low49.7Very low72 Ų72120.9 Ų120.974%0.74279%0.79SS**PPolyproline II helixtrans-95.3144.216200000112.7
113A44.5Very low50.6Low105 Ų105120.4 Ų120.487%0.86879%0.787SS**  trans-87.8176.2-15600000118.1
114T57Low51.1Low134 Ų134120.5 Ų120.582%0.82279%0.788SS**  trans-93.3158.7-152.2-26.70000116.7
115G42.3Very low51.1Low69 Ų69121.3 Ų121.371%0.71179%0.788SS**  trans-120.4128.9151.500000110.6
116P49.9Very low51.3Low127 Ų127121.1 Ų121.183%0.82579%0.787SS**PPolyproline II helixtrans-92.4146.5-167.734.6-35.4000114.8
117Q56.7Low51.8Low195 Ų195121.1 Ų121.191%0.91179%0.786SS**PPolyproline II helixtrans-103.5131.6162.7-170.2173.613.800110
118G57Low51.6Low64 Ų64117.6 Ų117.666%0.6678%0.782SS**PPolyproline II helixtrans-71.4155.2-17500000114.7
119P53.6Low51.8Low134 Ų134115.1 Ų115.187%0.8779%0.79SS**PPolyproline II helixtrans-74152.9-173.330.1-35.8000114.2
120R55.8Low51.6Low232 Ų232114.8 Ų114.888%0.87579%0.787SS**PPolyproline II helixtrans-72.4126.2-179.7176.5179.6178.3176.91112.2
121G50.6Low51.5Low65 Ų65115.3 Ų115.367%0.6780%0.797SS**PPolyproline II helixtrans-66.6149.5170.400000113.2
122V52.8Low50.8Low136 Ų136114.2 Ų114.282%0.82480%0.801SS**PPolyproline II helixtrans-81.7147.1-176.8-67.80000112.8
123P66.3Low50.6Low116 Ų116114.4 Ų114.475%0.75380%0.803SS**PPolyproline II helixtrans-63.5142.3169.2-20.233.2000112.2
124G51.8Low50.4Low75 Ų75117.5 Ų117.577%0.77380%0.804SS**PPolyproline II helixtrans-69.6151.2175.700000113.4
125S50.3Low49.8Very low116 Ų116116.2 Ų116.281%0.81180%0.801SS**PPolyproline II helixtrans-69142.3-179.851.30000113
126P61.2Low50Low128 Ų128117.7 Ų117.783%0.83181%0.806SS**PPolyproline II helixtrans-58142.2171.7-23.934.3000113
127G51.8Low49.7Very low73 Ų73118.7 Ų118.775%0.75381%0.81SS**PPolyproline II helixtrans-72.9142.7176.500000113
128S41.9Very low48.9Very low114 Ų114112.7 Ų112.780%0.79780%0.801SS**PPolyproline II helixtrans-71.3132177.152.10000112.2
129P54.7Low48.3Very low131 Ų131119.5 Ų119.585%0.85181%0.812SS**PPolyproline II helixtrans-63.4136.1178.1-23.934.5000114.1
130G41.6Very low47.9Very low66 Ų66119.5 Ų119.568%0.6881%0.812SS**PPolyproline II helixtrans-85.1155.2166.500000112.3
131P44.8Very low47.3Very low136 Ų136111.5 Ų111.588%0.88380%0.802SS**PPolyproline II helixtrans-76.7154.8-170.831.3-36.3000113.9
132A40.4Very low47.4Very low110 Ų110114.9 Ų114.991%0.90981%0.812SS**PPolyproline II helixtrans-77137.9177.800000112.7
133G37Very low47Very low76 Ų76114 Ų11478%0.78481%0.812SS**  trans-124.4156.917000000110.9
134L41.5Very low46Very low170 Ų170112.1 Ų112.189%0.8981%0.813SS**  trans-96.2151.5-163.3-75.2146.6000114.9
135S42.9Very low45.8Very low107 Ų107116.8 Ų116.875%0.74882%0.82SS**  trans74.7121.8151.1-62.40000120.9
136A48.2Very low46.4Very low100 Ų100117 Ų11783%0.82682%0.819SS**  trans50.6117.8145.900000119.9
137T41.8Very low45.9Very low148 Ų148114.5 Ų114.591%0.90882%0.816SS**  trans-148.5143.4166.9-390000110.9
138G40.6Very low45.8Very low70 Ų70116.1 Ų116.172%0.72282%0.822SS**  trans-94.4170.5-176.700000115.2
139K43.9Very low46.3Very low207 Ų207119.5 Ų119.590%0.983%0.828SS**  trans-68.9164.3164.7-62.3177.6-178.1179.60109.7
140P46.8Very low46.6Very low133 Ų133115.9 Ų115.986%0.86481%0.814SS**  cis-143.1-174.423.243.3-24.2000116.8
141G42.5Very low47.2Very low65 Ų65119 Ų11967%0.6782%0.822SS**  trans140.6103.8160.700000114.9
142P52.1Low48Very low135 Ų135124.1 Ų124.188%0.87782%0.824SS**  trans-88.4134.6173.133.8-30.9000111.9
143S45.5Very low48.7Very low119 Ų119121.9 Ų121.983%0.83281%0.812SS**  trans-135.9128.2-179.4-68.10000112.4
144G45.2Very low49.3Very low75 Ų75127.2 Ų127.277%0.77382%0.816SS**  trans70.3108.3156.100000117.9
145L47.6Very low50.5Low174 Ų174125 Ų12591%0.91181%0.812SS**PPolyproline II helixtrans-70.1129.6156.4-75169000109.3
146P61.8Low51Low121 Ų121123.3 Ų123.379%0.78681%0.812SS**PPolyproline II helixtrans-60.5143.3171.7-24.335.2000112.1
147G50.9Low51Low75 Ų75126.8 Ų126.877%0.77382%0.816SS**PPolyproline II helixtrans-63.5151.5-17900000113.4M149G147-M149 PolarHBondContact O-N 2.82Å
148A49.1Very low51.9Low106 Ų106129.3 Ų129.388%0.87681%0.814SS**PPolyproline II helixtrans-60.4129.6-178.400000112G150A148-G150 PolarHBondContact O-N 3.23Å
149M54.4Low52.4Low186 Ų186129.1 Ų129.192%0.91681%0.812SS**PPolyproline II helixtrans-63.2126172.8179.3170.559.600109.7G147G147-M149 PolarHBondContact O-N 2.82Å
150G59.4Low52.4Low55 Ų55127.6 Ų127.657%0.56781%0.808SS**PPolyproline II helixtrans-60.1154.3-17900000113.1A148 R152A148-G150 PolarHBondContact O-N 3.23Å; G150-R152 PolarHBondContact O-N 3.14Å
151P55.7Low53Low132 Ų132127.3 Ų127.386%0.85781%0.806SS**PPolyproline II helixtrans-59.6131.2-176.324.7-34000111.2G153P151-G153 PolarHBondContact O-N 3.46Å
152R60.5Low53.2Low242 Ų242127.6 Ų127.691%0.91381%0.809SS**PPolyproline II helixtrans-63.3121.4175.2179.3178.5-179.1167.40.5109.1G150G150-R152 PolarHBondContact O-N 3.14Å
153G54.7Low53Low64 Ų64129.1 Ų129.166%0.6681%0.808SS**PPolyproline II helixtrans-53.9142.9179.700000112.9P151P151-G153 PolarHBondContact O-N 3.46Å
154E50.7Low53.7Low187 Ų187129 Ų12987%0.87480%0.804SS**PPolyproline II helixtrans-61.5139.2-174-60.6-175.1140.100111.9G156E154-G156 PolarHBondContact O-N 3.39Å
155P65.3Low53.4Low123 Ų123128.9 Ų128.980%0.79980%0.803SS**PPolyproline II helixtrans-61.4120.4171.6-21.533.5000110.7L157P155-L157 PolarHBondContact O-N 3.47Å
156G54.5Low53.2Low73 Ų73128.9 Ų128.975%0.75380%0.803SS**PPolyproline II helixtrans-54.4137-179.100000112.7E154 K158E154-G156 PolarHBondContact O-N 3.39Å; G156-K158 PolarHBondContact O-N 3.01Å
157L48.8Very low53.1Low173 Ų173129 Ų12991%0.90680%0.804SS**PPolyproline II helixtrans-52.5122.6-173.2-67.6173000112P155 G159P155-L157 PolarHBondContact O-N 3.47Å; L157-G159 PolarHBondContact O-N 2.9Å
158K59.2Low52.6Low201 Ų201128.9 Ų128.987%0.87480%0.803SS**PPolyproline II helixtrans-66.4121.7179.8-167.1176.6-176.8-179.20109.7G156G156-K158 PolarHBondContact O-N 3.01Å
159G52.7Low52.9Low65 Ų65130.2 Ų130.267%0.6780%0.803SS**PPolyproline II helixtrans-53.6139.5-177.800000112.9L157L157-G159 PolarHBondContact O-N 2.9Å
160H42.3Very low52.3Low175 Ų175131.7 Ų131.781%0.8180%0.804SS**PPolyproline II helixtrans-68.6137-173-45.2-27.2000111
161P60.4Low51.5Low127 Ų127132.4 Ų132.483%0.82581%0.811SS**PPolyproline II helixtrans-59.7140.5174.4-24.334.8000112.4
162G47.3Very low51Low71 Ų71134 Ų13473%0.73281%0.813SS**PPolyproline II helixtrans-68.7145.3178.200000113P164G162-P164 WeakPolarHBondContact O-CD 3.11Å
163I47.6Very low50.1Low168 Ų168133.5 Ų133.586%0.86281%0.811SS**PPolyproline II helixtrans-72.9125.2-177-51.1173.9000110.2
164P58.8Low49.3Very low115 Ų115133.9 Ų133.975%0.74781%0.814SS**PPolyproline II helixtrans-65.9147.1172.8-21.934.7000113.1G162G162-P164 WeakPolarHBondContact O-CD 3.11Å
165G40.2Very low48.6Very low74 Ų74134 Ų13476%0.76381%0.812SS**PPolyproline II helixtrans-74.5149.6-178.400000114.6
166L42.8Very low47.2Very low173 Ų173131.7 Ų131.791%0.90681%0.81SS**PPolyproline II helixtrans-77.4130.9-179.1-70.9168.3000112.9
167P59.5Low46.5Very low124 Ų124135 Ų13581%0.80582%0.815SS**PPolyproline II helixtrans-68.5152.7167.5-20.434000113.5
168G41Very low46.5Very low72 Ų72133 Ų13374%0.74281%0.813SS**PPolyproline II helixtrans-89.9158.7-177.300000115.6
169P55.7Low45.7Very low135 Ų135126.9 Ų126.988%0.87781%0.807SS**PPolyproline II helixtrans-94.3147.9-169.636.3-36.4000115.9
170K41.4Very low45.8Very low217 Ų217129.6 Ų129.694%0.94381%0.812SS**  trans-171.2139.6167.7-175.7180-178.3-177.80108.1
171G42.2Very low45.6Very low69 Ų69130 Ų13071%0.71182%0.815SS**  cis179.4159.4-5.700000109
172D44.5Very low44.8Very low167 Ų167127.1 Ų127.189%0.89381%0.808SS**  trans-89.3154.5-158.7-71.8-59.1000119.3
173R43.2Very low44.8Very low231 Ų231132.1 Ų132.187%0.87281%0.812SS**  trans100.4132.7136.9-136.9178.8-150.8-163.96.1121.3
174G36.3Very low44.6Very low71 Ų71131.3 Ų131.373%0.73282%0.816SS**  trans-173.1149.5164.100000110.7
175F37.7Very low43.9Very low191 Ų191128.7 Ų128.784%0.83881%0.81SS**  trans-132152-171.1-99.7-102.7000112.8
176G35.3Very low44.6Very low73 Ų73131.8 Ų131.875%0.75382%0.816SS**  trans175.8119167.300000116.7
177V39.5Very low44.6Very low142 Ų142132.8 Ų132.886%0.86182%0.816SS**  trans-162.4169.4171.5-105.60000107.1
178P48.2Very low43.8Very low132 Ų132130 Ų13086%0.85781%0.81SS**  cis-135.1-170.4942.3-23.8000115.5
179G42.6Very low44.8Very low72 Ų72133 Ų13374%0.74282%0.817SS**  trans165.1126.1165.300000113.9
180P55.2Low43.9Very low122 Ų122135.8 Ų135.879%0.79282%0.82SS**  trans-127167.2-160.443.6-32.3000119.1
181Q39.2Very low44Very low184 Ų184128.3 Ų128.386%0.8681%0.805SS**  trans74.7146.1151.9-150.4161.66.700117.6
182G41.8Very low44.5Very low66 Ų66131.5 Ų131.568%0.6881%0.813SS**  cis-151.7-151.110.500000116.9
183E49.2Very low44.7Very low176 Ų176130.3 Ų130.382%0.82281%0.812SS**  trans-117.7-170.9-147.9-53.6173.3113.200114.9
184T42.2Very low44.9Very low152 Ų152122.6 Ų122.693%0.93380%0.804SS**  trans86.3133.3178.3-34.80000114.1
185G44.4Very low45Very low60 Ų60124.3 Ų124.362%0.61981%0.811SS**  cis172.2139.1-7.800000109.6
186P54.5Low45.3Very low139 Ų139122 Ų12290%0.90381%0.813SS**  trans-83.4134.3-169.131.7-34.5000113.3
187Q42.8Very low45.5Very low193 Ų193122.1 Ų122.190%0.90281%0.814SS**  trans-141.3125.2172.7-171.5174.69.800113.6
188G43.6Very low45.5Very low66 Ų66119.8 Ų119.868%0.6881%0.81SS**  trans60105138.600000120.6
189P62.5Low45.5Very low136 Ų136119.6 Ų119.688%0.88381%0.809SS**  trans-86.8117.7167.733.2-31.2000113
190M36.3Very low45.3Very low193 Ų193119.8 Ų119.895%0.95181%0.811SS**  trans-164.5145.7162.6-170.5163.46000108.7
191G42.6Very low44.7Very low60 Ų60122.5 Ų122.562%0.61982%0.817SS**  cis-153.9-164.3-0.400000111.5
192P53.3Low44.7Very low135 Ų135117.2 Ų117.288%0.87781%0.811SS**PPolyproline II helixtrans-78.6170.8-166.330.7-36000116.7
193T49.5Very low45Very low142 Ų142125.7 Ų125.787%0.87182%0.823SS**PPolyproline II helixtrans-56.3140.2-164.4-43.20000118
194G45.9Very low45Very low69 Ų69123.8 Ų123.871%0.71183%0.826SS**PPolyproline II helixtrans-103.6149.6157.800000112.1
195A38.8Very low45.1Very low107 Ų107119.6 Ų119.688%0.88481%0.813SS**PPolyproline II helixtrans-88.1171.3-163.200000116.6
196T43.5Very low45.3Very low142 Ų142126.4 Ų126.487%0.87183%0.826SS**PPolyproline II helixtrans-62.1146.7-165.3-39.20000117.1
197G39.6Very low45.1Very low76 Ų76126.1 Ų126.178%0.78482%0.824SS**  trans-138.5141157.100000111.9
198A40.2Very low45.5Very low93 Ų93120.6 Ų120.677%0.76982%0.818SS**  trans-155.6172.2179.200000109.3
199P48.2Very low45.5Very low129 Ų129122.3 Ų122.384%0.83883%0.827SS**  cis-124.6-174.10.841.8-27000113.8
200G39.3Very low45.1Very low75 Ų75123.7 Ų123.777%0.77383%0.826SS**  trans-171.638.3-177.900000119.8
201I41.4Very low45.6Very low179 Ų179118 Ų11892%0.91882%0.817SS**  trans20.3116.2161.6-54.1175.2000119.3
202G40Very low46.1Very low73 Ų73123.4 Ų123.475%0.75383%0.826SS**  trans171114.4159.300000115
203R47.1Very low46.5Very low245 Ų245122.9 Ų122.993%0.92582%0.822SS**  trans-133.2152.4169.2-67.3-173.9179.2-168.21.4108.2
204P49.3Very low46.6Very low135 Ų135119.6 Ų119.688%0.87782%0.817SS**  cis-82.8-170.141.1-18.935.4000116
205G44.2Very low46.8Very low65 Ų65125.5 Ų125.567%0.6782%0.823SS**  cis173.2179.1200000111.6
206K49.3Very low47.2Very low203 Ų203126.3 Ų126.388%0.88382%0.822SS**  trans-153.8128.3172.9-67.2-169-178.9-172.80113.4
207P50.7Low47.5Very low132 Ų132123.2 Ų123.286%0.85782%0.818SS**PPolyproline II helixtrans-75.6148.7139-13.730.9000110
208G49.9Very low47.6Very low77 Ų77125 Ų12579%0.79482%0.818SS**PPolyproline II helixtrans-84148.8177.800000112.9
209A44.9Very low48.5Very low103 Ų103126.4 Ų126.485%0.85182%0.82SS**PPolyproline II helixtrans-84.7140.4166.100000110
210N52.5Low48.8Very low165 Ų165123.8 Ų123.888%0.88282%0.817SS**PPolyproline II helixtrans-69.2152.1169.6-77.7-15.2000110.6
211G48.5Very low49.3Very low72 Ų72132.2 Ų132.274%0.74283%0.825SS**PPolyproline II helixtrans-68.8157.6-176.100000114.8
212E51.9Low50Low174 Ų174131.4 Ų131.481%0.81382%0.822SS**PPolyproline II helixtrans-69.8131.4179.4-60.5178109.300112.5
213P61.7Low50.6Low124 Ų124131.4 Ų131.481%0.80582%0.822SS**PPolyproline II helixtrans-65139156.1-19.934000110.8
214G51.6Low50.8Low73 Ų73124.4 Ų124.475%0.75382%0.817SS**PPolyproline II helixtrans-65.2149.6-171.700000115.4
215K50.7Low51.8Low194 Ų194124 Ų12484%0.84381%0.814SS**PPolyproline II helixtrans-71.8136.7179.9-61.3167.6-175.5169.90111.5
216S46.2Very low52.5Low124 Ų124123.9 Ų123.987%0.86781%0.814SS**PPolyproline II helixtrans-93.1145.6161.6-59.40000110.7
217G49.5Very low53Low76 Ų76120.7 Ų120.778%0.78481%0.813SS**PPolyproline II helixtrans-77157.8-172.900000114.9
218S43.1Very low53.5Low113 Ų113123.2 Ų123.279%0.7982%0.816SS**PPolyproline II helixtrans-75.2137.2174.551.40000112.3
219P59.4Low54Low124 Ų124122.2 Ų122.281%0.80581%0.806SS**PPolyproline II helixtrans-55.7152.7162.7-24.435.3000112.4
220G52.7Low54.8Low74 Ų74123.7 Ų123.776%0.76381%0.807SS**PPolyproline II helixtrans-70.4161.1-179.300000113.8
221R50.5Low55.6Low252 Ų252125 Ų12595%0.95181%0.808SS**PPolyproline II helixtrans-75.7136.9168.6-89.9-179.7163.1178-6110.6
222D57Low56Low161 Ų161124.3 Ų124.386%0.86180%0.8SS**PPolyproline II helixtrans-65.1152.4163.5-65.1-56.1000111.7
223G50.9Low56.4Low73 Ų73122.4 Ų122.475%0.75380%0.803SS**PPolyproline II helixtrans-72.6147178.600000113.1
224A53.1Low56.5Low98 Ų98125.9 Ų125.981%0.8181%0.805SS**PPolyproline II helixtrans-68136.2176.900000111.6
225P69.3Low56.6Low126 Ų126125.4 Ų125.482%0.81880%0.8SS**PPolyproline II helixtrans-57.6141.1168-24.434.8000111.7
226G58.5Low56.6Low64 Ų64125.5 Ų125.566%0.6680%0.803SS**PPolyproline II helixtrans-63.3153.7-179.600000113.3M228G226-M228 PolarHBondContact O-N 2.66Å
227P60.1Low57.3Low135 Ų135126.3 Ų126.388%0.87780%0.803SS**PPolyproline II helixtrans-63.5132-17726.2-34.3000111.8
228M60.7Low57.4Low185 Ų185125.8 Ų125.891%0.91180%0.798SS**PPolyproline II helixtrans-64.7131.8172.5-178.8169.261.300110.1G226G226-M228 PolarHBondContact O-N 2.66Å
229G61.8Low57.8Low57 Ų57125 Ų12559%0.58880%0.798SS**PPolyproline II helixtrans-60.8151.6-179.200000113.1Q231G229-Q231 PolarHBondContact O-N 3.26Å
230P61.1Low57.2Low133 Ų133125 Ų12586%0.86480%0.798SS**PPolyproline II helixtrans-61.9134.1-176.225.6-34.3000111.6G232P230-G232 PolarHBondContact O-N 3.38Å
231Q68.9Low57Low194 Ų194125.4 Ų125.491%0.90780%0.802SS**PPolyproline II helixtrans-65.9126.7177-173173.144.500110.1G229G229-Q231 PolarHBondContact O-N 3.26Å
232G57.7Low56.8Low56 Ų56120.5 Ų120.558%0.57780%0.8SS**PPolyproline II helixtrans-59.6148.4-18000000112.8P230 K234P230-G232 PolarHBondContact O-N 3.38Å; G232-K234 PolarHBondContact O-N 2.78Å
233P59.7Low56.2Low134 Ų134116.3 Ų116.387%0.8779%0.794SS**PPolyproline II helixtrans-60.8130.4-174.424.3-33.9000111.6G235P233-G235 PolarHBondContact O-N 3.25Å
234K63.5Low55.8Low198 Ų198121 Ų12186%0.86180%0.801SS**PPolyproline II helixtrans-65.3120.5179.3-177.1176.4178.3-179.90110G232G232-K234 PolarHBondContact O-N 2.78Å
235G54.2Low55.7Low63 Ų63122.6 Ų122.665%0.64980%0.804SS**PPolyproline II helixtrans-54.9141.4-177.300000113.5P233P233-G235 PolarHBondContact O-N 3.25Å
236H51.1Low54.5Low195 Ų195119.9 Ų119.990%0.90380%0.799SS**PPolyproline II helixtrans-67.8130.1-178.1-62.5-108.7000110.9G238H236-G238 PolarHBondContact O-N 3.42Å
237T59.6Low53.8Low142 Ų142126.8 Ų126.887%0.87181%0.811SS**PPolyproline II helixtrans-68.8124.9175.3-47.30000110.1
238G52.3Low53.3Low65 Ų65126.8 Ų126.867%0.6781%0.814SS**PPolyproline II helixtrans-64.5152.1177.400000113.3H236H236-G238 PolarHBondContact O-N 3.42Å
239A51.3Low52.6Low96 Ų96121.3 Ų121.379%0.79381%0.805SS**PPolyproline II helixtrans-66.5145.5179.700000112.1G241A239-G241 PolarHBondContact O-N 3.43Å
240P46.7Very low51.7Low125 Ų125127.8 Ų127.881%0.81282%0.82SS**PPolyproline II helixtrans-67.1120.6-179.9-19.832.8000112.4
241G48.1Very low51Low82 Ų82129.7 Ų129.785%0.84582%0.823SS**PPolyproline II helixtrans-77124.6172.400000111.7A239A239-G241 PolarHBondContact O-N 3.43Å
242V47.3Very low50.1Low149 Ų149123.6 Ų123.690%0.90381%0.812SS**  trans-103.3114.8172.6-178.90000108.9
243G44Very low49.5Very low72 Ų72125.6 Ų125.674%0.74282%0.823SS**  trans-156131.6177.900000111
244L42.2Very low49.5Very low171 Ų171125.4 Ų125.490%0.89582%0.822SS**  trans-86.3147.8-171.8-71.2163.3000112.4
245P52.5Low49.1Very low132 Ų132119.1 Ų119.186%0.85781%0.814SS**  trans-83.9140.3-173.632.4-35.5000114.7
246G43.8Very low48.9Very low70 Ų70124.2 Ų124.272%0.72283%0.825SS**  trans149143170.200000111.3
247K43.4Very low49.6Very low209 Ų209120.7 Ų120.791%0.90982%0.819SS**  cis-142.8158.83.4-56.1173.1-172.8173.70108.7
248S50.3Low49.7Very low134 Ų134116.7 Ų116.794%0.93781%0.806SS**  trans-82.7145.7-179.4-56.80000113.7
249G44.2Very low50.1Low71 Ų71119.8 Ų119.873%0.73282%0.815SS**  trans137.3130.6176.700000110.5
250E43.9Very low50.8Low192 Ų192122 Ų12290%0.89782%0.818SS**  cis-134.4166.5-3.3-65.9-176.3113.100110.3G252E250-G252 PolarHBondContact O-N 3.49Å
251N45.5Very low51.4Low174 Ų174118.6 Ų118.693%0.9381%0.806SS**  trans-76.592.7-173.4-72.9-11.2000112.8
252G50.1Low52Low66 Ų66121 Ų12168%0.6881%0.806SS**PPolyproline II helixtrans-66.2135.215800000111E250E250-G252 PolarHBondContact O-N 3.49Å
253A46.2Very low52.7Low98 Ų98122.7 Ų122.781%0.8180%0.801SS**PPolyproline II helixtrans-64.2129.3-179.900000111.2G255A253-G255 PolarHBondContact O-N 3.42Å
254P58.5Low53.2Low130 Ų130122.2 Ų122.284%0.84480%0.797SS**PPolyproline II helixtrans-60.3123.8176-24.734.8000111.6
255G55.6Low53.4Low66 Ų66123.6 Ų123.668%0.6880%0.798SS**PPolyproline II helixtrans-62.1147.8170.500000111.2A253A253-G255 PolarHBondContact O-N 3.42Å
256L50.8Low53.8Low170 Ų170125.3 Ų125.389%0.8979%0.794SS**PPolyproline II helixtrans-55.7128.8177-70.9169.4000110.2G258L256-G258 PolarHBondContact O-N 3.02Å
257P66.2Low54.5Low121 Ų121124.5 Ų124.579%0.78679%0.787SS**PPolyproline II helixtrans-56.2130.4173.6-2635000110.9
258G60.7Low55.1Low58 Ų58121 Ų12160%0.59879%0.785SS**PPolyproline II helixtrans-58.8149.6171.800000110.9L256 V260L256-G258 PolarHBondContact O-N 3.02Å; G258-V260 PolarHBondContact O-N 2.8Å
259P61.3Low55.5Low130 Ų130119 Ų11984%0.84478%0.777SS**PPolyproline II helixtrans-58.1129-178.524.5-33.9000110.5G261P259-G261 PolarHBondContact O-N 3.41Å
260V66.4Low56.1Low143 Ų143119 Ų11987%0.86778%0.776SS**PPolyproline II helixtrans-58.8120.9176.5176.40000108.5G258G258-V260 PolarHBondContact O-N 2.8Å
261G58.6Low56.3Low53 Ų53114.4 Ų114.455%0.54677%0.771SS.*PPolyproline II helixtrans-55.6145.6177.700000111.3P259 K263P259-G261 PolarHBondContact O-N 3.41Å; G261-K263 PolarHBondContact O-N 2.87Å; G261-K263 VanDerWaalsContact O-N 3.1Å
262P60.4Low57.2Low133 Ų133112 Ų11286%0.86477%0.765SS**PPolyproline II helixtrans-56.5121.2-173.622.7-33.4000110.5G264P262-G264 PolarHBondContact O-N 2.83Å; P262-G264 VanDerWaalsContact O-N 3.09Å
263K61.7Low57.4Low184 Ų184112.1 Ų112.180%0.877%0.767SS**PPolyproline II helixtrans-55117.7176-179.1-174.4-178.4-170.50108.3G261G261-K263 PolarHBondContact O-N 2.87Å; G261-K263 VanDerWaalsContact O-N 3.1Å
264G54.3Low57.4Low62 Ų62112.1 Ų112.164%0.63977%0.767SS**PPolyproline II helixtrans-50.7140.5-178.600000111.9P262 Q266P262-G264 PolarHBondContact O-N 2.83Å; P262-G264 VanDerWaalsContact O-N 3.09Å; G264-Q266 PolarHBondContact O-N 2.89Å; G264-Q266 VanDerWaalsContact O-N 3.12Å
265H47.3Very low57.3Low199 Ų199112 Ų11292%0.92177%0.765SS**PPolyproline II helixtrans-54.7119.5-175.2-65.4-78.7000110.6G267H265-G267 PolarHBondContact O-N 2.8Å
266Q59.9Low56.9Low168 Ų168112.2 Ų112.279%0.78577%0.768SS**PPolyproline II helixtrans-62.7125.5172.1-177.8169.7-10.600108.1G264G264-Q266 PolarHBondContact O-N 2.89Å; G264-Q266 VanDerWaalsContact O-N 3.12Å
267G60Low56.7Low54 Ų54111.3 Ų111.356%0.55777%0.769SS**PPolyproline II helixtrans-53.6146.3178.100000111.3H265 A269H265-G267 PolarHBondContact O-N 2.8Å; G267-A269 PolarHBondContact O-N 3.08Å
268P55.6Low55.5Low135 Ų135111.3 Ų111.388%0.87777%0.769SS**PPolyproline II helixtrans-55.8127.6-173.222.9-33.6000110.6G270P268-G270 PolarHBondContact O-N 2.86Å
269A58.3Low54.5Low92 Ų92112.5 Ų112.576%0.7678%0.781SS**PPolyproline II helixtrans-62.2137.7178.300000110.1G267 A271G267-A269 PolarHBondContact O-N 3.08Å; A269-A271 PolarHBondContact O-N 3.15Å
270G57.3Low53.6Low70 Ų70117.6 Ų117.672%0.72279%0.785SS**PPolyproline II helixtrans-54.9137173.800000110.8P268 P272P268-G270 PolarHBondContact O-N 2.86Å; G270-P272 WeakPolarHBondContact O-CD 3.41Å
271A48.2Very low52.3Low96 Ų96114.3 Ų114.379%0.79378%0.78SS**PPolyproline II helixtrans-55.8125.7-172.700000111.5A269 G273A269-A271 PolarHBondContact O-N 3.15Å; A271-G273 PolarHBondContact O-N 3.33Å
272P63.5Low51.7Low124 Ų124121 Ų12181%0.80580%0.795SS**PPolyproline II helixtrans-57.7137.7173.6-25.635.2000111.4G270G270-P272 WeakPolarHBondContact O-CD 3.41Å
273G54.7Low51Low69 Ų69120.9 Ų120.971%0.71179%0.794SS**PPolyproline II helixtrans-58.1143.1177.400000112.2A271 P275A271-G273 PolarHBondContact O-N 3.33Å; G273-P275 WeakPolarHBondContact O-CD 3.37Å
274A46Very low50Low98 Ų98115.8 Ų115.881%0.8179%0.793SS**PPolyproline II helixtrans-57.4123.7-171.400000112.7
275P57.6Low49.7Very low126 Ų126118 Ų11882%0.81881%0.805SS**PPolyproline II helixtrans-62136.4172.7-2435.1000112.2G273G273-P275 WeakPolarHBondContact O-CD 3.37Å
276G46.2Very low49.4Very low71 Ų71116.6 Ų116.673%0.73281%0.805SS**PPolyproline II helixtrans-68.6145.9179.500000113.5P278G276-P278 WeakPolarHBondContact O-CD 3.26Å
277V47.3Very low48.8Very low151 Ų151111.7 Ų111.792%0.91580%0.799SS**PPolyproline II helixtrans-80.6125.7-174.8-83.90000114.1
278P40.6Very low48.1Very low122 Ų122118.7 Ų118.779%0.79282%0.817SS**  trans-117.6130.1170.514.88.3000113.8G276G276-P278 WeakPolarHBondContact O-CD 3.26Å
279G39.2Very low47.7Very low82 Ų82122.3 Ų122.385%0.84582%0.819SS**  trans67.6105.7143.900000120.1
280Y43.3Very low47.2Very low237 Ų237121.3 Ų121.393%0.92982%0.818SS**  trans-72.6137.2162-98.5-89.7000112.2
281G39.1Very low46.5Very low74 Ų74127.4 Ų127.476%0.76383%0.828SS**  trans-162.7109.116500000111.9
282K46.3Very low46.4Very low195 Ų195134.5 Ų134.585%0.84883%0.834SS**  trans-87.2138.1171.9-63.1-176.2179-1760108.7
283P43.9Very low45.5Very low130 Ų130131.8 Ų131.884%0.84483%0.829SS**  -150.6170.69339.2-22.7000115.9
284G41.3Very low44.9Very low77 Ų77133.2 Ų133.279%0.79483%0.833SS**  trans94.191.715500000117.2
285A48.4Very low45.3Very low108 Ų108134.7 Ų134.789%0.89384%0.835SS**  trans-88.4139.4158.200000109.4
286N40.5Very low44.6Very low170 Ų170132.2 Ų132.291%0.90983%0.832SS**  trans-154.2132.2177.4-166.613000112.8
287G46.7Very low44.3Very low64 Ų64134.4 Ų134.466%0.6684%0.837SS**  trans7185.2157.800000118
288E46Very low44.6Very low201 Ų201133.4 Ų133.494%0.93983%0.833SS**  trans-63.4133.2154.2-68.3-175.3144.300109.7
289K46.7Very low44.8Very low211 Ų211131 Ų13192%0.91783%0.831SS**  trans-94.4104.3-177.9-169.8173-176.4176.20109.5
290G48.1Very low44.9Very low72 Ų72132.2 Ų132.274%0.74283%0.832SS**  trans-54.4152.1-165.800000116.8
291E43.5Very low45.2Very low198 Ų198127.6 Ų127.693%0.92583%0.829SS**  trans-63150.6-178.5-59.1-175.8121.100113
292R45.9Very low45.5Very low245 Ų245127.4 Ų127.493%0.92583%0.827SS**  trans-88.3115.9173.7-176.9175.8-67.9178.7-0.9109.3
293G44.5Very low45.3Very low67 Ų67123.2 Ų123.269%0.69183%0.829SS**PPolyproline II helixtrans-55.9150.3-174.800000115.2
294A42.6Very low45.6Very low98 Ų98126.7 Ų126.781%0.8183%0.831SS**PPolyproline II helixtrans-67.5138.2-175.500000113.1
295P54.4Low45.9Very low129 Ų129126.5 Ų126.584%0.83883%0.829SS**PPolyproline II helixtrans-61138.9166.5-22.434.4000111.9
296G42.7Very low45.6Very low74 Ų74130.8 Ų130.876%0.76383%0.831SS**PPolyproline II helixtrans-69.2152.6-174.500000114.7
297S39.5Very low46.1Very low118 Ų118131.8 Ų131.883%0.82583%0.83SS**PPolyproline II helixtrans-74.1129.6-179.839.50000113.2
298P54.2Low46.3Very low129 Ų129131.4 Ų131.484%0.83883%0.825SS**PPolyproline II helixtrans-61.5146.7164.2-23.335.4000111.9
299G43.9Very low46.3Very low73 Ų73128.3 Ų128.375%0.75382%0.823SS**PPolyproline II helixtrans-68.9154.3-167.900000115.8
300A41.8Very low46.4Very low106 Ų106124.9 Ų124.988%0.87682%0.82SS**PPolyproline II helixtrans-66.9129.5179.100000112.3
301T48Very low46.3Very low141 Ų141124.5 Ų124.587%0.86582%0.816SS**PPolyproline II helixtrans-80.3135.5167.8-58.60000109.3
302G46.8Very low46.3Very low70 Ų70126.5 Ų126.572%0.72282%0.817SS**PPolyproline II helixtrans-62.1148.7-168.600000115.2K304G302-K304 PolarHBondContact O-N 3.25Å
303A42.2Very low46.3Very low107 Ų107121.5 Ų121.588%0.88481%0.814SS**PPolyproline II helixtrans-63.7131.1179.300000112
304K48.8Very low46.4Very low203 Ų203121.5 Ų121.588%0.88381%0.813SS**PPolyproline II helixtrans-82.7129166.1-169.5178.6-180-176.80108.1G302G302-K304 PolarHBondContact O-N 3.25Å
305G48.8Very low46.6Very low73 Ų73122 Ų12275%0.75382%0.818SS**PPolyproline II helixtrans-58.1149.5-166.900000115.5
306E41.6Very low46.3Very low198 Ų198122.4 Ų122.493%0.92582%0.818SS**PPolyproline II helixtrans-64.4142.3179.6-60.2177.1124.600112.1
307Q51.9Low46.6Very low191 Ų191121.9 Ų121.989%0.89381%0.813SS**PPolyproline II helixtrans-89127165.5-175171.1-6.300108.6
308G50.5Low46.8Very low55 Ų55121.6 Ų121.657%0.56782%0.817SS**PPolyproline II helixtrans-60.2150.9-170.800000114.7T310G308-T310 PolarHBondContact O-N 2.9Å
309P45.8Very low46.7Very low136 Ų136122 Ų12288%0.88382%0.817SS**PPolyproline II helixtrans-66.7127.2-173.627.3-35000112
310T49.2Very low47Very low140 Ų140121 Ų12186%0.85981%0.808SS**PPolyproline II helixtrans-81.9139.9166.7-58.90000109.2G308G308-T310 PolarHBondContact O-N 2.9Å
311G44.7Very low47.3Very low64 Ų64122.4 Ų122.466%0.6681%0.808SS**PPolyproline II helixtrans-65.4149.3-160.900000116.8
312Y44.9Very low47.4Very low240 Ų240124 Ų12494%0.94181%0.807SS**PPolyproline II helixtrans-59.9138.8174.2-67.3-89.4000112.3
313T45.5Very low47.8Very low140 Ų140123.2 Ų123.286%0.85980%0.8SS**  trans-118.8150161.2-45.60000108.4
314G45.4Very low48.1Very low66 Ų66124.5 Ų124.568%0.6880%0.799SS**PPolyproline II helixtrans-61.7149.5-160.200000116.7
315A48.7Very low48.4Very low110 Ų110119.1 Ų119.191%0.90979%0.792SS**PPolyproline II helixtrans-66.5130.5178.700000112.3
316T46.8Very low48.7Very low137 Ų137118.5 Ų118.584%0.8479%0.786SS**PPolyproline II helixtrans-91.3148165.8-59.80000109.3
317G48.5Very low49Very low63 Ų63115.2 Ų115.265%0.64978%0.782SS**PPolyproline II helixtrans-59.1150.7-169.800000114.8T319G317-T319 PolarHBondContact O-N 3.5Å
318A44.9Very low48.9Very low111 Ų111114.5 Ų114.592%0.91778%0.778SS**PPolyproline II helixtrans-59.9119.2-177.100000112
319T51.1Low48.7Very low137 Ų137114.9 Ų114.984%0.8478%0.782SS**PPolyproline II helixtrans-69.6141.8164.2-57.70000108.8G317G317-T319 PolarHBondContact O-N 3.5Å
320G50.4Low48.6Very low54 Ų54117.2 Ų117.256%0.55778%0.781SS**PPolyproline II helixtrans-58.1154.3-178.700000112.8M322G320-M322 PolarHBondContact O-N 2.77Å; G320-M322 VanDerWaalsContact O-N 3.08Å
321P48.4Very low48.5Very low135 Ų135121.4 Ų121.488%0.87778%0.782SS**PPolyproline II helixtrans-59.7117.2-176.124.9-33.9000110.7G323P321-G323 PolarHBondContact O-N 2.89Å
322M50.8Low48.5Very low173 Ų173121.3 Ų121.385%0.85278%0.78SS**PPolyproline II helixtrans-57.1136.2169.3-176.316763.900108.9G320G320-M322 PolarHBondContact O-N 2.77Å; G320-M322 VanDerWaalsContact O-N 3.08Å
323G54.5Low48.2Very low55 Ų55118.8 Ų118.857%0.56778%0.775SS**PPolyproline II helixtrans-54.8147.8176.900000111.3P321 A325P321-G323 PolarHBondContact O-N 2.89Å; G323-A325 PolarHBondContact O-N 2.8Å; G323-A325 VanDerWaalsContact O-N 3.13Å
324P49Very low48.8Very low134 Ų134117.8 Ų117.887%0.8777%0.77SS**PPolyproline II helixtrans-56.6123.2-176.324.2-33.9000109.5G326P324-G326 PolarHBondContact O-N 3.31Å
325A55.1Low48.9Very low89 Ų89118 Ų11874%0.73677%0.772SS**PPolyproline II helixtrans-57.6135.5175.100000109.1G323G323-A325 PolarHBondContact O-N 2.8Å; G323-A325 VanDerWaalsContact O-N 3.13Å
326G54Low48.6Very low60 Ų60117.5 Ų117.562%0.61977%0.769SS**PPolyproline II helixtrans-54.1145.2172.800000110.2P324 Q328P324-G326 PolarHBondContact O-N 3.31Å; G326-Q328 PolarHBondContact O-N 2.83Å; G326-Q328 VanDerWaalsContact O-N 3.08Å
327P48.1Very low49Very low130 Ų130117.4 Ų117.484%0.84477%0.768SS**PPolyproline II helixtrans-55.2120.8-175.323-33.5000109.8G329P327-G329 PolarHBondContact O-N 2.98Å
328Q51.2Low49.1Very low175 Ų175117 Ų11782%0.81876%0.763SS**  trans-59.9113.7179-174.8-165.3-9700108.2G326 E330G326-Q328 PolarHBondContact O-N 2.83Å; G326-Q328 VanDerWaalsContact O-N 3.08Å; Q328-E330 PolarHBondContact O-N 3.28Å
329G45.7Very low49.4Very low63 Ų63117.8 Ų117.865%0.64976%0.759SS**  trans-50.2139.5-178.800000111.6P327 R331P327-G329 PolarHBondContact O-N 2.98Å; G329-R331 PolarHBondContact O-N 3.23Å
330E43.8Very low49.7Very low185 Ų185117.7 Ų117.786%0.86476%0.759SS**  trans-56.1133.4-174-65.1-162.5139.300110.8Q328 G332Q328-E330 PolarHBondContact O-N 3.28Å; E330-G332 PolarHBondContact O-N 2.84Å
331R47.4Very low49.5Very low229 Ų229118.1 Ų118.186%0.86476%0.763SS**  trans-66106.2176.8-178.8-177.9-61.5-151.6-0.1107.8G329 F333G329-R331 PolarHBondContact O-N 3.23Å; R331-F333 PolarHBondContact O-N 2.69Å
332G43.9Very low49.4Very low61 Ų61120 Ų12063%0.62977%0.765SS**  trans-45.4133.6179.700000112E330E330-G332 PolarHBondContact O-N 2.84Å
333F39.3Very low49.5Very low188 Ų188121.2 Ų121.283%0.82577%0.765SS**PPolyproline II helixtrans-50.1133-175.7-70.1-90.6000111.1R331 G335R331-F333 PolarHBondContact O-N 2.69Å; F333-G335 PolarHBondContact O-N 3.3Å; F333-G335 VanDerWaalsContact O-N 3.15Å
334P57.5Low49.3Very low119 Ų119121.7 Ų121.777%0.77377%0.77SS**PPolyproline II helixtrans-53124.1167.3-24.434.3000109.2A336P334-A336 PolarHBondContact O-N 3.4Å
335G47.5Very low49.1Very low70 Ų70123 Ų12372%0.72277%0.77SS**PPolyproline II helixtrans-54.1135.6-178.100000110.8F333 T337F333-G335 PolarHBondContact O-N 3.3Å; F333-G335 VanDerWaalsContact O-N 3.15Å; G335-T337 PolarHBondContact O-N 2.88Å
336A43.1Very low48.9Very low100 Ų100125.6 Ų125.683%0.82678%0.777SS**PPolyproline II helixtrans-52.9125.4-17500000110.8P334 G338P334-A336 PolarHBondContact O-N 3.4Å; A336-G338 PolarHBondContact O-N 2.86Å
337T54.4Low48.7Very low135 Ų135125.4 Ų125.483%0.82878%0.775SS**PPolyproline II helixtrans-54.2118.1176.5-51.10000108.8G335G335-T337 PolarHBondContact O-N 2.88Å
338G51.2Low48.9Very low53 Ų53125.2 Ų125.255%0.54677%0.774SS.*PPolyproline II helixtrans-53.4141.7179.100000110.7A336 T340A336-G338 PolarHBondContact O-N 2.86Å; G338-T340 PolarHBondContact O-N 2.87Å
339P51.2Low49Very low129 Ų129122.9 Ų122.984%0.83878%0.777SS**PPolyproline II helixtrans-55.8127.4-173.722.8-33.5000110G341P339-G341 PolarHBondContact O-N 3.02Å
340T56.5Low49.3Very low135 Ų135123 Ų12383%0.82878%0.778SS**PPolyproline II helixtrans-53.1116.6178.3-53.90000108.8G338 L342G338-T340 PolarHBondContact O-N 2.87Å; T340-L342 PolarHBondContact O-N 3.21Å
341G47.1Very low49.7Very low63 Ų63120.1 Ų120.165%0.64978%0.775SS**PPolyproline II helixtrans-53131.5-176.700000110.6P339 K343P339-G341 PolarHBondContact O-N 3.02Å; G341-K343 PolarHBondContact O-N 2.92Å
342L45.3Very low50Low175 Ų175118.7 Ų118.792%0.91678%0.778SS**PPolyproline II helixtrans-53126177.5-72172.4000108.8T340 G344T340-L342 PolarHBondContact O-N 3.21Å; L342-G344 PolarHBondContact O-N 2.83Å
343K53Low50.1Low198 Ų198118.7 Ų118.786%0.86178%0.778SS**  trans-54.6109.5176176.8-170.4174.5-170.80107.7G341 D345G341-K343 PolarHBondContact O-N 2.92Å; K343-D345 PolarHBondContact O-N 2.77Å
344G50.6Low50.6Low65 Ų65115.9 Ų115.967%0.6778%0.779SS**  trans-55.5129.5-17500000111.3L342L342-G344 PolarHBondContact O-N 2.83Å
345D45.1Very low50.3Low161 Ų161119.6 Ų119.686%0.86178%0.783SS**  trans-58.7143.4173.3-74.9-55.7000110.3K343 G347K343-D345 PolarHBondContact O-N 2.77Å; D345-G347 PolarHBondContact O-N 2.64Å
346T51.6Low50.3Low143 Ų143119.8 Ų119.888%0.87779%0.785SS**  trans-66102.3-177.3-560000109.6
347G49.4Very low50.3Low57 Ų57124 Ų12459%0.58879%0.787SS**PPolyproline II helixtrans-55.1136.3178.300000111.5D345D345-G347 PolarHBondContact O-N 2.64Å
348P51.3Low50.1Low125 Ų125127.7 Ų127.781%0.81279%0.792SS**PPolyproline II helixtrans-61.3141.218026.2-34.3000110.4G350P348-G350 PolarHBondContact O-N 3.45Å; P348-G350 VanDerWaalsContact O-N 3.15Å
349S53.7Low50.2Low126 Ų126128.3 Ų128.388%0.88180%0.798SS**PPolyproline II helixtrans-58.2119-177.1-54.20000111.3
350G52.2Low49.5Very low65 Ų65130.5 Ų130.567%0.6780%0.803SS**PPolyproline II helixtrans-62.9145.9179.900000112.4P348P348-G350 PolarHBondContact O-N 3.45Å; P348-G350 VanDerWaalsContact O-N 3.15Å
351P53.6Low49.6Very low126 Ų126133.7 Ų133.782%0.81881%0.808SS**PPolyproline II helixtrans-66.2158.4179.528.4-35.2000112.2G353P351-G353 PolarHBondContact O-N 2.7Å
352Q52Low49.4Very low199 Ų199134.2 Ų134.293%0.9381%0.814SS**PPolyproline II helixtrans-54.7123-178.4-174.1175.83.300111.9
353G46.8Very low49.1Very low61 Ų61130.7 Ų130.763%0.62981%0.809SS**PPolyproline II helixtrans-67.4140.8-170.500000114.2P351P351-G353 PolarHBondContact O-N 2.7Å
354P49.3Very low49.3Very low128 Ų128131 Ų13183%0.83181%0.814SS**PPolyproline II helixtrans-69.8155.3174.229.9-34.7000112.2G356P354-G356 PolarHBondContact O-N 3.32Å
355K52.2Low48.9Very low198 Ų198130.8 Ų130.886%0.86181%0.812SS**PPolyproline II helixtrans-63.7129.1-178.1-172.2176.5-179.4179.40111.1
356G46.4Very low48.7Very low74 Ų74133 Ų13376%0.76381%0.814SS**PPolyproline II helixtrans-63.9140.5-172.700000114.8P354P354-G356 PolarHBondContact O-N 3.32Å
357H43.3Very low48.9Very low189 Ų189135.5 Ų135.588%0.87582%0.816SS**PPolyproline II helixtrans-89.6146.8170.8-73.4-90.1000111.4G359H357-G359 PolarHBondContact O-N 3.26Å
358K50Low48.7Very low211 Ų211136.1 Ų136.192%0.91782%0.822SS**  trans-9596.1-175.3-178.7-162.5168.8-174.30111.6
359G52.7Low48.6Very low66 Ų66140.1 Ų140.168%0.6883%0.827SS**  trans73.7147.6149.700000118H357H357-G359 PolarHBondContact O-N 3.26Å
360D36.7Very low48.4Very low176 Ų176143.4 Ų143.494%0.94183%0.828SS**  trans-142.2151.9150.8-100.5-45.9000108
361Q59.6Low48.2Very low202 Ų202143.3 Ų143.394%0.94483%0.827SS**  trans-106.6114.4-174.6177.9-178.2-35.800111
362G42.9Very low47.8Very low74 Ų74148 Ų14876%0.76383%0.83SS**  trans-173.6151.9171.300000111.5
363A38.3Very low48.3Very low100 Ų100144.7 Ų144.783%0.82683%0.826SS**  cis-144.4160.2-8.400000109.4G365A363-G365 PolarHBondContact O-N 3.48Å; A363-G365 VanDerWaalsContact O-N 3.16Å
364Q57.7Low48.6Very low206 Ų206145.4 Ų145.496%0.96383%0.833SS**  trans-71.3108.7178.4-178.9176-41.600110.3
365G43.2Very low48.7Very low60 Ų60144.3 Ų144.362%0.61984%0.835SS**  trans-122.2114-174.600000113.8A363A363-G365 PolarHBondContact O-N 3.48Å; A363-G365 VanDerWaalsContact O-N 3.16Å
366F40.3Very low48.9Very low208 Ų208139.8 Ų139.891%0.91284%0.835SS**  trans35.9128.2155.5-59.3-79.3000121.3G368F366-G368 PolarHBondContact O-N 3.24Å
367Q54.5Low49.4Very low195 Ų195139.6 Ų139.691%0.91183%0.832SS**PPolyproline II helixtrans-63.6116.1171.8-177.9175.9-4.900111.8
368G46.6Very low50.1Low69 Ų69136.2 Ų136.271%0.71183%0.827SS**PPolyproline II helixtrans-69.4151.1174.800000113.2F366F366-G368 PolarHBondContact O-N 3.24Å
369K47.8Very low50.6Low210 Ų210132.3 Ų132.391%0.91382%0.824SS**PPolyproline II helixtrans-71.1157.9179-61.8-178.5180-177.40111.8G371K369-G371 PolarHBondContact O-N 2.92Å
370Q51.2Low50.8Low195 Ų195132.6 Ų132.691%0.91183%0.826SS**PPolyproline II helixtrans-56.6131178.2-178.6174.8-11.500112
371G46.8Very low51.6Low63 Ų63130.3 Ų130.365%0.64982%0.821SS**PPolyproline II helixtrans-85.1157.8-179.200000114.3K369K369-G371 PolarHBondContact O-N 2.92Å
372Y44.8Very low51.2Low224 Ų224132.7 Ų132.788%0.87882%0.821SS**PPolyproline II helixtrans-64.9159.6176.1-64.9-90.1000113
373P63Low51.5Low129 Ų129132.7 Ų132.784%0.83882%0.822SS**PPolyproline II helixtrans-52.5139.8168.3-26.335.7000112.7
374G54Low51.8Low77 Ų77132.9 Ų132.979%0.79482%0.823SS**PPolyproline II helixtrans-71.2151.8-168.800000115.4
375A50.3Low51.2Low105 Ų105130 Ų13087%0.86882%0.82SS**PPolyproline II helixtrans-69.3160.8174.200000112.8
376A57.4Low51.4Low103 Ų103130.2 Ų130.285%0.85182%0.822SS**PPolyproline II helixtrans-59.7138.4176.600000112.1
377G56.3Low51.8Low69 Ų69126.6 Ų126.671%0.71182%0.819SS**PPolyproline II helixtrans-65.9143.1-175.100000113.6
378P57.3Low51.3Low118 Ų118122.3 Ų122.377%0.76682%0.817SS**PPolyproline II helixtrans-70.6155.3179.329.9-35.6000112.3
379P61.8Low51.9Low130 Ų130122.7 Ų122.784%0.84482%0.821SS**PPolyproline II helixtrans-56.3140.3173.9-25.435.2000113
380G57.3Low51.6Low71 Ų71119.9 Ų119.973%0.73282%0.816SS**PPolyproline II helixtrans-64.1141.4-174.200000114
381P53.5Low51.2Low128 Ų128120.1 Ų120.183%0.83181%0.814SS**PPolyproline II helixtrans-71.7152.2-177.929.5-35.3000113.1G383P381-G383 PolarHBondContact O-N 2.83Å
382R49.7Very low51.1Low252 Ų252120.2 Ų120.295%0.95182%0.815SS**PPolyproline II helixtrans-64.9128.7175.3-173176-176.3166.20.6110.3
383G50.1Low51.1Low75 Ų75117.1 Ų117.177%0.77381%0.814SS**PPolyproline II helixtrans-60.5142.9-17400000114.5P381P381-G383 PolarHBondContact O-N 2.83Å
384A44.3Very low49.9Very low103 Ų103118.1 Ų118.185%0.85182%0.817SS**PPolyproline II helixtrans-88.2151.9178.400000112.4
385T46.1Very low49.4Very low146 Ų146117.8 Ų117.890%0.89681%0.814SS**PPolyproline II helixtrans-68.8133.5176-49.70000111
386G47.4Very low49.5Very low65 Ų65117.8 Ų117.867%0.6781%0.814SS**PPolyproline II helixtrans-76.6145.5-174.700000114.4
387P48.7Very low49.1Very low131 Ų131119 Ų11985%0.85181%0.813SS**PPolyproline II helixtrans-77.3159.116933.6-34.7000111.8
388A43.6Very low48.5Very low106 Ų106119.6 Ų119.688%0.87682%0.819SS**PPolyproline II helixtrans-72.3154.8169.700000111.6
389G58Low48Very low76 Ų76120.6 Ų120.678%0.78482%0.823SS**  trans-127.8176.5177.600000112.7
390D41.4Very low47.4Very low151 Ų151120.8 Ų120.881%0.80782%0.824SS**  trans-152.4174.3176.2-136-39.1000113.2
391K43.3Very low46.7Very low200 Ų200120.5 Ų120.587%0.8782%0.822SS**  trans-52.3163.6-170.9-75.9158177.3161.90117.3
392G44.1Very low46.5Very low66 Ų66119.1 Ų119.168%0.6882%0.821SS**  cis-169.4-153.913.500000115.9
393N44.6Very low47Very low158 Ų158113 Ų11385%0.84581%0.814SS**  trans-109.5171.7-148.1-62.8-22.1000117.7
394V39Very low47.2Very low151 Ų151112.6 Ų112.692%0.91581%0.81SS**  trans87.1133.4162.2-169.30000115.4
395G42.9Very low47.6Very low69 Ų69115.5 Ų115.571%0.71181%0.809SS**  cis-159177.64.100000113.8
396A52.5Low48.2Very low105 Ų105114.1 Ų114.187%0.86880%0.803SS**  trans-117.5142.2-162.900000115
397P48.8Very low48.5Very low130 Ų130114 Ų11484%0.84480%0.801SS**  trans-118.7130.9160.317.13.9000113.6
398G43.6Very low49Very low81 Ų81113.8 Ų113.884%0.83580%0.8SS**  trans76.683.9144.900000120.6
399T47.9Very low49.5Very low138 Ų138113.6 Ų113.685%0.84780%0.799SS**  trans-72.1149.3137.652.50000108.9
400P47.7Very low49.1Very low134 Ų134113.1 Ų113.187%0.8779%0.794SS**  cis-145.117144.241.2-22.2000117.4
401G43.8Very low49.6Very low66 Ų66111.1 Ų111.168%0.6879%0.789SS**  trans160.690.1171.700000109.4P403G401-P403 WeakPolarHBondContact O-CD 3.33Å
402A48.8Very low50.2Low99 Ų99110.9 Ų110.982%0.81879%0.788SS**PPolyproline II helixtrans-65.9122.4-175.100000110.6G404A402-G404 PolarHBondContact O-N 3.07Å
403P59.5Low50.3Low122 Ų122111.2 Ų111.279%0.79279%0.791SS**PPolyproline II helixtrans-58137.4167.2-21.734000109.3G401G401-P403 WeakPolarHBondContact O-CD 3.33Å
404G54.2Low50.4Low68 Ų68111.6 Ų111.670%0.70179%0.788SS**PPolyproline II helixtrans-55.1142.9173.500000110.6A402 P406A402-G404 PolarHBondContact O-N 3.07Å; G404-P406 WeakPolarHBondContact O-CD 3.35Å; G404-P406 VanDerWaalsContact O-N 3.15Å
405I53.1Low51Low163 Ų163111 Ų11184%0.83679%0.785SS**PPolyproline II helixtrans-48.2122.8-179.7-45.8173000108.5G407I405-G407 PolarHBondContact O-N 2.89Å; I405-G407 VanDerWaalsContact O-N 3.12Å
406P58.5Low51.2Low117 Ų117110.9 Ų110.976%0.7678%0.784SS**PPolyproline II helixtrans-53.6123.8172.4-26.335.1000108.9G404G404-P406 WeakPolarHBondContact O-CD 3.35Å; G404-P406 VanDerWaalsContact O-N 3.15Å
407G55.1Low50.9Low62 Ų62116.3 Ų116.364%0.63978%0.782SS**PPolyproline II helixtrans-53.1139.2-179.800000110.1I405 A409I405-G407 PolarHBondContact O-N 2.89Å; I405-G407 VanDerWaalsContact O-N 3.12Å; G407-A409 PolarHBondContact O-N 2.75Å
408P58.3Low51.3Low128 Ų128115.9 Ų115.983%0.83178%0.779SS**PPolyproline II helixtrans-53.8137.4-177.623.4-33.9000109.7G410P408-G410 PolarHBondContact O-N 3.02Å; P408-G410 VanDerWaalsContact O-N 3.13Å
409A54.8Low51.6Low101 Ų101115.4 Ų115.484%0.83577%0.774SS**PPolyproline II helixtrans-47.8122.2-172.900000110.6G407G407-A409 PolarHBondContact O-N 2.75Å
410G48Very low51.7Low66 Ų66116.8 Ų116.868%0.6877%0.771SS**PPolyproline II helixtrans-52130.4-171.800000110.9P408 K412P408-G410 PolarHBondContact O-N 3.02Å; P408-G410 VanDerWaalsContact O-N 3.13Å; G410-K412 PolarHBondContact O-N 3.28Å
411P53.3Low52.2Low110 Ų110116.5 Ų116.571%0.71477%0.769SS**PPolyproline II helixtrans-57.5135.4-175.523.2-33.3000109.9G413P411-G413 PolarHBondContact O-N 2.93Å
412K54.8Low52.5Low194 Ų194116.9 Ų116.984%0.84377%0.772SS**  trans-43116.3177.3177.5-175.8178.4-177.30109.4G410 H414G410-K412 PolarHBondContact O-N 3.28Å; K412-H414 PolarHBondContact O-CD2 3.37Å; K412-H414 PolarHBondContact O-N 2.84Å; K412-H414 VanDerWaalsContact O-N 3.1Å
413G47.3Very low52.2Low73 Ų73117 Ų11775%0.75377%0.773SS**PPolyproline II helixtrans-46.6118.2-171.300000111.9P411P411-G413 PolarHBondContact O-N 2.93Å
414H45.7Very low51.6Low166 Ų166116.9 Ų116.977%0.76978%0.776SS**PPolyproline II helixtrans-63.9147.3178.5-65.2175.5000109.7K412 G416K412-H414 PolarHBondContact O-CD2 3.37Å; K412-H414 PolarHBondContact O-N 2.84Å; K412-H414 VanDerWaalsContact O-N 3.1Å; H414-G416 PolarHBondContact O-N 2.88Å
415T52.2Low51.2Low139 Ų139116.6 Ų116.685%0.85377%0.772SS**PPolyproline II helixtrans-51.1129166.6-43.70000108.7R417T415-R417 PolarHBondContact O-N 2.86Å
416G46.9Very low50.7Low67 Ų67114.3 Ų114.369%0.69177%0.771SS**PPolyproline II helixtrans-53.7134.1177.900000110.3H414H414-G416 PolarHBondContact O-N 2.88Å
417R46.5Very low50.3Low219 Ų219116.5 Ų116.583%0.82678%0.776SS**PPolyproline II helixtrans-56.4142.4171-72.9-178.6172.9-177.2-2.2108.5T415 G419T415-R417 PolarHBondContact O-N 2.86Å; R417-G419 PolarHBondContact O-N 3.44Å
418P57.8Low49.8Very low120 Ų120116.9 Ų116.978%0.77978%0.78SS**PPolyproline II helixtrans-49.5140.8157.2-22.833.8000109.2
419G49.9Very low49.1Very low71 Ų71115.9 Ų115.973%0.73278%0.776SS**PPolyproline II helixtrans-55.5142173.900000110.3R417R417-G419 PolarHBondContact O-N 3.44Å
420E48.9Very low49.3Very low168 Ų168117.1 Ų117.179%0.78578%0.776SS**PPolyproline II helixtrans-58.8137.4175.6-63.3179.6154.100109G422E420-G422 PolarHBondContact O-N 2.98Å; E420-G422 VanDerWaalsContact O-N 3.16Å
421P58.8Low49.5Very low128 Ų128116.9 Ų116.983%0.83177%0.773SS**PPolyproline II helixtrans-53125.6170.2-24.334000108.7A423P421-A423 PolarHBondContact O-N 3.36Å
422G49.4Very low49.4Very low73 Ų73117.9 Ų117.975%0.75378%0.78SS**PPolyproline II helixtrans-51.4133.3-177.800000110.3E420 S424E420-G422 PolarHBondContact O-N 2.98Å; E420-G422 VanDerWaalsContact O-N 3.16Å; G422-S424 PolarHBondContact O-N 2.9Å
423A43.7Very low49.3Very low101 Ų101120 Ų12084%0.83578%0.782SS**PPolyproline II helixtrans-49.9128.8-177.400000109.8P421 G425P421-A423 PolarHBondContact O-N 3.36Å; A423-G425 PolarHBondContact O-N 3.2Å; A423-G425 VanDerWaalsContact O-N 3.14Å
424S46.9Very low49.7Very low121 Ų121118.9 Ų118.985%0.84677%0.771SS**PPolyproline II helixtrans-51.8126.1177-172.80000108.2G422 S426G422-S424 PolarHBondContact O-N 2.9Å; S424-S426 PolarHBondContact O-N 3.04Å
425G44.8Very low49.9Very low61 Ų61117.3 Ų117.363%0.62978%0.775SS**PPolyproline II helixtrans-52.2131.9177.300000109.1A423 D427A423-G425 PolarHBondContact O-N 3.2Å; A423-G425 VanDerWaalsContact O-N 3.14Å; G425-D427 PolarHBondContact O-N 3.25Å
426S43.3Very low50.1Low115 Ų115115.1 Ų115.180%0.80477%0.771SS**PPolyproline II helixtrans-54.6127.8172.952.50000108.8S424 G428S424-S426 PolarHBondContact O-N 3.04Å; S426-G428 PolarHBondContact O-N 3.47Å; S426-G428 VanDerWaalsContact O-N 3.11Å
427D49.8Very low50.2Low164 Ų164115 Ų11588%0.87777%0.77SS**PPolyproline II helixtrans-47.4122.4176.5-79.6-45.3000109.7G425 S429G425-D427 PolarHBondContact O-N 3.25Å; D427-S429 PolarHBondContact O-N 2.83Å; D427-S429 VanDerWaalsContact O-N 3.11Å
428G43.6Very low50.4Low69 Ų69110.8 Ų110.871%0.71177%0.771SS**PPolyproline II helixtrans-58.3120.1-177.400000109.6S426 P430S426-G428 PolarHBondContact O-N 3.47Å; S426-G428 VanDerWaalsContact O-N 3.11Å; G428-P430 WeakPolarHBondContact O-CD 3.06Å; G428-P430 VanDerWaalsContact O-N 3.13Å
429S45.2Very low50.4Low108 Ų108114.3 Ų114.376%0.75578%0.777SS**PPolyproline II helixtrans-50.2121.9175.6530000109.1D427 G431D427-S429 PolarHBondContact O-N 2.83Å; D427-S429 VanDerWaalsContact O-N 3.11Å; S429-G431 PolarHBondContact O-N 2.85Å
430P58.1Low50.7Low127 Ų127113.6 Ų113.683%0.82577%0.77SS**PPolyproline II helixtrans-53.1119.2-176.2-29.936000110.7G428G428-P430 WeakPolarHBondContact O-CD 3.06Å; G428-P430 VanDerWaalsContact O-N 3.13Å
431G52.3Low51Low60 Ų60112 Ų11262%0.61977%0.774SS**PPolyproline II helixtrans-54.9141.8-175.500000111S429 R433S429-G431 PolarHBondContact O-N 2.85Å; G431-R433 PolarHBondContact O-N 3.28Å; G431-R433 VanDerWaalsContact O-N 3.12Å
432P51.1Low51.1Low132 Ų132110.7 Ų110.786%0.85777%0.774SS**PPolyproline II helixtrans-55.3123.6-176.722.7-33.3000109.7G434P432-G434 PolarHBondContact O-N 3.1Å
433R53.5Low51.3Low238 Ų238110.7 Ų110.790%0.89877%0.774SS**  trans-51.4112.6-177177.1-179.4177178.50.3109.6G431G431-R433 PolarHBondContact O-N 3.28Å; G431-R433 VanDerWaalsContact O-N 3.12Å
434G54.8Low51.6Low50 Ų50110.8 Ų110.852%0.51578%0.775SS.*PPolyproline II helixtrans-55148.2178.500000111.8P432 A436P432-G434 PolarHBondContact O-N 3.1Å; G434-A436 PolarHBondContact O-N 2.88Å
435P50.5Low52.1Low133 Ų133111.9 Ų111.986%0.86478%0.777SS**PPolyproline II helixtrans-56.4140.6178.525-34.1000110.2G437P435-G437 PolarHBondContact O-N 2.84Å
436A55.4Low52.3Low93 Ų93112.2 Ų112.277%0.76978%0.78SS**PPolyproline II helixtrans-62.6122.7-174.600000110.9G434G434-A436 PolarHBondContact O-N 2.88Å
437G49.2Very low52.3Low64 Ų64112.3 Ų112.366%0.6678%0.78SS**PPolyproline II helixtrans-60.4151.2171.400000111.5P435P435-G437 PolarHBondContact O-N 2.84Å
438P50.7Low52.6Low130 Ų130114.4 Ų114.484%0.84478%0.782SS**PPolyproline II helixtrans-62.9157.8-174.125.6-34.6000113.1G440P438-G440 PolarHBondContact O-N 3.16Å
439Q58.3Low52.8Low195 Ų195114 Ų11491%0.91178%0.778SS**PPolyproline II helixtrans-50.9129.5-178.5-177.6175.1-7.900112.2
440G55.6Low52.8Low56 Ų56117.8 Ų117.858%0.57778%0.783SS**PPolyproline II helixtrans-64.5153-174.200000114.1P438P438-G440 PolarHBondContact O-N 3.16Å
441P55.8Low52.9Low134 Ų134117.7 Ų117.787%0.8778%0.782SS**PPolyproline II helixtrans-62.5156.5177.227.5-34.9000112.2
442A60.1Low52.8Low100 Ų100118 Ų11883%0.82679%0.786SS**PPolyproline II helixtrans-61.5149.1-169.300000114.1
443G53.8Low52.6Low74 Ų74119.9 Ų119.976%0.76379%0.788SS**PPolyproline II helixtrans-62.6154.7178.100000113.5
444A50.4Low53Low103 Ų103114.4 Ų114.485%0.85178%0.783SS**PPolyproline II helixtrans-55.6139.6-175.900000113G446A444-G446 PolarHBondContact O-N 3.25Å
445T58.1Low53.2Low144 Ų144115.1 Ų115.188%0.88379%0.79SS**PPolyproline II helixtrans-56.1132.6177.3-48.40000111.1
446G49.1Very low53.5Low67 Ų67114.7 Ų114.769%0.69179%0.788SS**PPolyproline II helixtrans-57.3146-175.300000113.7A444 K448A444-G446 PolarHBondContact O-N 3.25Å; G446-K448 PolarHBondContact O-N 2.9Å
447S43.4Very low53.9Low117 Ų117116.5 Ų116.582%0.81879%0.792SS**PPolyproline II helixtrans-54.4124-179.853.10000112.1G449S447-G449 PolarHBondContact O-N 3.17Å
448K55.3Low54.2Low208 Ų208116.6 Ų116.690%0.90479%0.793SS**PPolyproline II helixtrans-55.7121.7170.3-174.2174.7-178.1177.90109.1G446G446-K448 PolarHBondContact O-N 2.9Å
449G48.9Very low54.1Low62 Ų62116.8 Ų116.864%0.63979%0.794SS**PPolyproline II helixtrans-58.5147.6-171.800000113.5S447S447-G449 PolarHBondContact O-N 3.17Å
450H43.3Very low53.5Low187 Ų187112.3 Ų112.387%0.86679%0.79SS**PPolyproline II helixtrans-57.6134177.9-60.7-73.6000111.3G452H450-G452 PolarHBondContact O-N 3.18Å
451P61.6Low53Low124 Ų124113.4 Ų113.481%0.80580%0.802SS**PPolyproline II helixtrans-54.1137.2159.1-23.234.6000109.9
452G49.7Very low52.2Low68 Ų68115.3 Ų115.370%0.70180%0.803SS**PPolyproline II helixtrans-63150-174.800000113.3H450 P454H450-G452 PolarHBondContact O-N 3.18Å; G452-P454 WeakPolarHBondContact O-CD 3.41Å
453L47.9Very low51.2Low171 Ų171115.1 Ų115.190%0.89580%0.802SS**PPolyproline II helixtrans-58.5128.7173.9-68.2170000110.4
454P61.8Low50.7Low123 Ų123116 Ų11680%0.79980%0.802SS**PPolyproline II helixtrans-55143.9163.2-24.935.6000110.8G452G452-P454 WeakPolarHBondContact O-CD 3.41Å
455G57.8Low50.7Low64 Ų64121.3 Ų121.366%0.6681%0.806SS**PPolyproline II helixtrans-63.3162.2-170.800000114.8
456P56.8Low50.1Low125 Ų125117.9 Ų117.981%0.81280%0.799SS**PPolyproline II helixtrans-60.6145.4179.726.5-34.9000111.5G458P456-G458 PolarHBondContact O-N 3.1Å
457P63.8Low50Low131 Ų131121.7 Ų121.785%0.85181%0.809SS**PPolyproline II helixtrans-55.7138.2177.6-26.234.9000112.9
458G55.2Low50.2Low66 Ų66121.5 Ų121.568%0.6881%0.808SS**PPolyproline II helixtrans-62.915117400000112.3P456P456-G458 PolarHBondContact O-N 3.1Å
459P49.6Very low50.4Low134 Ų134114.4 Ų114.487%0.8779%0.793SS**PPolyproline II helixtrans-63.4144.4-176.926.6-34.7000112.2G461P459-G461 PolarHBondContact O-N 3.09Å
460A46Very low50.8Low100 Ų100117.8 Ų117.883%0.82680%0.804SS**  trans-68.9113.6-170.400000113.2L462A460-L462 PolarHBondContact O-N 3.12Å
461G44.3Very low51.4Low80 Ų80117.7 Ų117.783%0.82580%0.804SS**  trans-78112.6169.200000111.8P459P459-G461 PolarHBondContact O-N 3.09Å
462L40Very low51.3Low173 Ų173114.8 Ų114.891%0.90680%0.796SS**  trans-79.8115.4173.8-73161.1000111A460A460-L462 PolarHBondContact O-N 3.12Å
463A39.3Very low51.4Low96 Ų96116 Ų11679%0.79380%0.799SS**  trans168.3146.8130.500000115.2
464A42.2Very low52Low93 Ų93113.4 Ų113.477%0.76979%0.793SS**  trans55.486.1142.700000121.5
465K49.8Very low51.8Low214 Ų214111 Ų11193%0.9379%0.791SS**  60.288.8114.3-165.6-173.6-175.6-177.40118.4
466G46.4Very low51.5Low72 Ų72116.8 Ų116.874%0.74280%0.8SS**  trans-138.1138.7151.600000109.7
467V47.8Very low51.7Low147 Ų147116.6 Ų116.689%0.89180%0.799SS**  trans-94.2113.9178.1-1770000108.8G469V467-G469 PolarHBondContact O-N 3.41Å
468S46.4Very low51.5Low114 Ų114113.8 Ų113.880%0.79779%0.794SS**PPolyproline II helixtrans-63.6131.2171-52.40000110.1
469G60.4Low51.6Low58 Ų58119.6 Ų119.660%0.59880%0.804SS**PPolyproline II helixtrans-62.6158.5169.800000111.6V467 Q471V467-G469 PolarHBondContact O-N 3.41Å; G469-Q471 PolarHBondContact O-N 2.97Å
470P56.4Low52.2Low133 Ų133119.2 Ų119.286%0.86480%0.801SS**PPolyproline II helixtrans-59.5126.3177.825.8-33.7000110.2G472P470-G472 PolarHBondContact O-N 2.94Å
471Q56.3Low52.9Low186 Ų186117.7 Ų117.787%0.86980%0.796SS**PPolyproline II helixtrans-59.7127.7176-179.2175.9-20.200109.4G469G469-Q471 PolarHBondContact O-N 2.97Å
472G59.2Low53.5Low62 Ų62118.7 Ų118.764%0.63980%0.796SS**PPolyproline II helixtrans-58.1145.317500000111.1P470P470-G472 PolarHBondContact O-N 2.94Å
473A51.7Low54.6Low93 Ų93116.2 Ų116.277%0.76978%0.783SS**PPolyproline II helixtrans-57.3141.517700000110.4G475A473-G475 PolarHBondContact O-N 2.89Å
474P61.8Low55.5Low117 Ų117114.8 Ų114.876%0.7678%0.778SS**PPolyproline II helixtrans-52.8137.6173-25.434.6000110.9Q476P474-Q476 PolarHBondContact O-N 2.95Å
475G57.4Low56.3Low73 Ų73119.2 Ų119.275%0.75378%0.783SS**PPolyproline II helixtrans-56.2139.8173.100000110.3A473A473-G475 PolarHBondContact O-N 2.89Å
476Q51.1Low56.9Low185 Ų185114 Ų11486%0.86477%0.771SS**PPolyproline II helixtrans-61.6142.1174.1-70.2-178-12.500109.3P474 G478P474-Q476 PolarHBondContact O-N 2.95Å; Q476-G478 PolarHBondContact O-N 2.85Å
477P61Low57.6Low122 Ų122113.6 Ų113.679%0.79277%0.767SS**PPolyproline II helixtrans-52.9137.2169-23.934.1000109.9
478G59.8Low58.3Low72 Ų72112.8 Ų112.874%0.74277%0.765SS**PPolyproline II helixtrans-58.4145.6173.200000110.6Q476Q476-G478 PolarHBondContact O-N 2.85Å
479E56.9Low59.1Low187 Ų187110.8 Ų110.887%0.87476%0.755SS**PPolyproline II helixtrans-58.1143.6177.6-63.4-172.5128.600110.4G481E479-G481 PolarHBondContact O-N 3.24Å
480P62.2Low59.2Low126 Ų126110 Ų11082%0.81875%0.747SS**PPolyproline II helixtrans-52.5134.2172.5-25.334.7000110.6A482P480-A482 PolarHBondContact O-N 2.94Å
481G60.9Low59.3Low69 Ų69109.4 Ų109.471%0.71174%0.743SS**PPolyproline II helixtrans-58.9135.5171.400000109.6E479 D483E479-G481 PolarHBondContact O-N 3.24Å; G481-D483 PolarHBondContact O-N 3.41Å
482A56.4Low59.5Low101 Ų101104.2 Ų104.284%0.83573%0.726SS**PPolyproline II helixtrans-55.8138179.900000110.9P480P480-A482 PolarHBondContact O-N 2.94Å
483D63.9Low59.4Low120 Ų120103.2 Ų103.264%0.64272%0.715SS**PPolyproline II helixtrans-59.4140.9177.2-60.7-67.9000110.4Q56 G481Q56-D483 PolarHBondContact NE2-OD1 3.31Å; G481-D483 PolarHBondContact O-N 3.41Å
484G57.5Low59.7Low66 Ų66104.6 Ų104.668%0.6872%0.716SS**PPolyproline II helixtrans-68.2138.7-175.900000111.5
485E58.9Low59.3Low187 Ų187102.7 Ų102.787%0.87470%0.704SS**PPolyproline II helixtrans-56.6136.3179.5-66.6-165.1137.200111.3G487E485-G487 PolarHBondContact O-N 2.99Å
486P62.5Low59Low105 Ų105101.4 Ų101.468%0.68269%0.691SS**PPolyproline II helixtrans-52.5135.6177.7-29.636.1000112.3
487G60.9Low58.9Low63 Ų6398.5 Ų98.565%0.64969%0.688SS**PPolyproline II helixtrans-56.9143.7-178.900000112E485 A489E485-G487 PolarHBondContact O-N 2.99Å; G487-A489 PolarHBondContact O-N 3.48Å
488P61.8Low58.1Low130 Ų13096.3 Ų96.384%0.84467%0.674SS**PPolyproline II helixtrans-58.3138.2-178.925-34.4000110.7G490P488-G490 PolarHBondContact O-N 3.39Å
489A63.9Low57.5Low72 Ų7295.8 Ų95.860%0.59567%0.668SS**PPolyproline II helixtrans-53.9140-179.800000111.4G487G487-A489 PolarHBondContact O-N 3.48Å
490G61.5Low56.7Low42 Ų4294.5 Ų94.543%0.43366%0.662SS.*PPolyproline II helixtrans-59.5147.6-18000000111.7P488P488-G490 PolarHBondContact O-N 3.39Å
491P59.8Low55.7Low120 Ų12093.2 Ų93.278%0.77965%0.652SS**PPolyproline II helixtrans-58.3142.5174.926.2-34.1000109.9
492P60.4Low54.4Low77 Ų7795.3 Ų95.350%0.565%0.651SS.*PPolyproline II helixtrans-52.2142.5175.8-27.235.1000111.8P47P47-P492 HydrophobicContact CG-CG 4.46Å
493G57.2Low53.3Low41 Ų4199.5 Ų99.542%0.42365%0.65SS.*PPolyproline II helixtrans-58.3147.6178.100000111.5
494P57.1Low51.9Low121 Ų121102.5 Ų102.579%0.78666%0.66SS**PPolyproline II helixtrans-57.2140.9175.825.6-34.1000110G496P494-G496 PolarHBondContact O-N 2.96Å
495P54.1Low50.9Low77 Ų77109.5 Ų109.550%0.567%0.672SS.*PPolyproline II helixtrans-52.8140.1177.8-25.733.4000111.6P44P44-P495 HydrophobicContact CB-CG 4.35Å; P44-P495 HydrophobicContact CG-CG 4.34Å
496G50.8Low49.8Very low47 Ų47103.8 Ų103.849%0.48566%0.663SS.*PPolyproline II helixtrans-59.7152.2178.500000111.9P494P494-G496 PolarHBondContact O-N 2.96Å
497P50Low48.5Very low124 Ų124108.1 Ų108.181%0.80568%0.677SS**PPolyproline II helixtrans-57.3139.3175.925.3-34000110.4G499P497-G499 PolarHBondContact O-N 2.82Å
498P44.1Very low47.4Very low75 Ų75108.7 Ų108.749%0.48768%0.682SS.*PPolyproline II helixtrans-51.2124.5-179.2-3237.9000113.6V40V40-P498 WeakPolarHBondContact O-CB 3.27Å
499G46.9Very low46.5Very low61 Ų61111.8 Ų111.863%0.62969%0.691SS**PPolyproline II helixtrans-74.2136.7171.900000111.6P497 V501P497-G499 PolarHBondContact O-N 2.82Å; G499-V501 PolarHBondContact O-N 2.9Å
500E40.8Very low45.2Very low161 Ų161113 Ų11375%0.75270%0.695SS**  trans-72.395.9173.8-73.3-165.4115.400111.3V502E500-V502 PolarHBondContact O-N 3.14Å
501V39.7Very low43.9Very low98 Ų98119.8 Ų119.859%0.59472%0.715SS**  trans-87.998.1171.4-76.10000111.1G499 F503G499-V501 PolarHBondContact O-N 2.9Å; V501-F503 HydrophobicContact CB-CE2 4.33Å; V501-F503 HydrophobicContact CG2-CD2 4.5Å; V501-F503 HydrophobicContact CG2-CE2 4.13Å; V501-F503 PolarHBondContact O-N 2.9Å
502V35.3Very low43.1Very low114 Ų114120.6 Ų120.669%0.69172%0.718SS**  trans-77.7103.7174.3-178.60000109.9E500 E504E500-V502 PolarHBondContact O-N 3.14Å; V502-E504 PolarHBondContact O-N 3.28Å
503F32.6Very low42.1Very low188 Ų188124 Ų12483%0.82573%0.729SS**  trans-79.7107174.1-85.9-89.2000111.9V501V501-F503 HydrophobicContact CB-CE2 4.33Å; V501-F503 HydrophobicContact CG2-CD2 4.5Å; V501-F503 HydrophobicContact CG2-CE2 4.13Å; V501-F503 PolarHBondContact O-N 2.9Å
504E34.9Very low41.7Very low183 Ų183128.3 Ų128.386%0.85575%0.746SS**  trans-85.7120.2164.5-170.1162.8-144.900109.8V502V502-E504 PolarHBondContact O-N 3.28Å
505K36.7Very low41.9Very low214 Ų214128.2 Ų128.293%0.9373%0.734SS**  trans-103.785.4-165.3-168.1177-176.2175.70112.2
506G35.7Very low42.8Very low66 Ų66128.2 Ų128.268%0.6874%0.735SS**  trans-145.872.4-173.400000116.5
507M35.3Very low44.2Very low197 Ų197129.3 Ų129.397%0.9773%0.734SS**SBendtrans60.9127.1165.8-63.6-174.5173.900119.1
508G37.3Very low46.1Very low74 Ų74127.9 Ų127.976%0.76372%0.718SS**SBendtrans102.6146.6163.500000114.9S510G508-S510 PolarHBondContact O-N 3.02Å
509L42.3Very low48.7Very low195 Ų195124.4 Ų124.4100%1.02170%0.695SS**  trans-82.399.8167.8-85.9152000108.5
510S35.8Very low51.1Low97 Ų97122.7 Ų122.768%0.67868%0.675SS**  trans-132.7119.7162.657.50000108G508 V512G508-S510 PolarHBondContact O-N 3.02Å; S510-V512 PolarHBondContact O-N 2.83Å
511E35.7Very low53.8Low186 Ų186115.2 Ų115.287%0.86964%0.64SS**  trans-56.8130.7169.3-65.7172.2114.200108.6M513E511-M513 PolarHBondContact O-N 2.86Å
512V42.3Very low56.7Low137 Ų137112.5 Ų112.583%0.8362%0.624SS**  trans-75.574.2168.2-176.50000106.8S510 V514S510-V512 PolarHBondContact O-N 2.83Å; V512-V514 PolarHBondContact O-N 3.38Å
513M39.4Very low59.6Low149 Ų149107 Ų10773%0.73459%0.591SS**  trans-63.8103.7178.2-169.7175.774.500107.4E511 K515E511-M513 PolarHBondContact O-N 2.86Å; M513-K515 PolarHBondContact O-N 3.16Å
514V49.5Very low62.7Low130 Ų13098.8 Ų98.879%0.78856%0.556SS**  trans-66.883.7174.4-178.30000106.9V512 S516V512-V514 PolarHBondContact O-N 3.38Å; V514-S516 PolarHBondContact O-N 2.94Å
515K59.8Low65.7Low120 Ų12090.2 Ų90.252%0.52252%0.516SS..  trans-61.8110.3-178-167.1-169.4176.8-165.90106.9M513 M518 E546M513-K515 PolarHBondContact O-N 3.16Å; K515-M518 WeakPolarHBondContact CE-SD 3.43Å; K515-M518 HydrophobicContact CG-SD 4.47Å; K515-E546 IonicContact NZ-OE1 3.96Å; K515-E546 PolarHBondContact NZ-OE1 3.27Å
516S73.3Confident68Low76 Ų7681.2 Ų81.253%0.53148%0.482SS..  trans-50.2147.1172.4-510000109.6V514 M518V514-S516 PolarHBondContact O-N 2.94Å; S516-M518 WeakPolarHBondContact O-CG 3.45Å; S516-M518 PolarHBondContact O-N 3.25Å
517P81.5Confident70.7Confident70 Ų7081.8 Ų81.846%0.45547%0.472SS..  trans-52.6115.4170.818.2-28.5000109.3V560 L643 S646P517-V560 HydrophobicContact CB-CG1 3.76Å; P517-L643 HydrophobicContact CB-CD2 4.08Å; P517-S646 WeakPolarHBondContact CG-OG 3.41Å
518M89.9Confident73.5Confident94 Ų9475 Ų7546%0.46344%0.443SS..  trans-116.8143.4175-70.4176.6-174.900107.5K515 S516 E546K515-M518 WeakPolarHBondContact CE-SD 3.43Å; K515-M518 HydrophobicContact CG-SD 4.47Å; S516-M518 WeakPolarHBondContact O-CG 3.45Å; S516-M518 PolarHBondContact O-N 3.25Å; M518-E546 WeakPolarHBondContact O-CG 3.5Å
519S97.1Very high76.3Confident3 Ų376.6 Ų76.62%0.02143%0.426CS..  trans-164.999.1177.2171.40000106.9H548 Y564 F642 L643S519-H548 WeakPolarHBondContact CB-ND1 3.49Å; S519-H548 PolarHBondContact OG-ND1 3.45Å; S519-Y564 VanDerWaalsContact CB-OH 3.27Å; S519-Y564 WeakPolarHBondContact CB-OH 3.47Å; S519-Y564 WeakPolarHBondContact OG-CE1 3.42Å; S519-Y564 PolarHBondContact OG-OH 2.95Å; S519-F642 WeakPolarHBondContact O-CA 3.07Å; S519-L643 PolarHBondContact O-N 2.87Å
520A97.9Very high78.8Confident25 Ų2568.1 Ų68.121%0.20738%0.383CS..EExtended strand (participates in β ladder)trans-145.4152.1179.200000111.8Y543 G641 F642A520-Y543 HydrophobicContact CB-CD1 4.24Å; A520-Y543 HydrophobicContact CB-CE1 3.88Å; A520-Y543 WeakPolarHBondContact O-CD1 3.33Å; A520-Y543 VanDerWaalsContact O-CE1 3.24Å; A520-Y543 WeakPolarHBondContact O-CE1 3.43Å; A520-G641 CarbonylContact C-O 3.45Å; A520-G641 VanDerWaalsContact CA-O 3.26Å; A520-G641 WeakPolarHBondContact CA-O 3.4Å; A520-F642 HydrophobicContact CB-CB 3.73Å
521F98.7Very high81.7Confident3 Ų366.6 Ų66.61%0.01338%0.376CS..EExtended strand (participates in β ladder)trans-147.1159.4170.174.9-78.4000111.2Y543 N544 Y549 F556 F566 F639 S640 G641F521-Y543 CarbonylContact C-O 3.57Å; F521-Y543 WeakPolarHBondContact CA-O 3.3Å; F521-N544 HydrophobicContact CB-CB 4.46Å; F521-Y549 HydrophobicContact CB-CG 4.45Å; F521-Y549 HydrophobicContact CD2-CD1 4.17Å; F521-Y549 AromaticContact CD2-CD2 3.68Å; F521-Y549 HydrophobicContact CD2-CD2 3.68Å; F521-Y549 HydrophobicContact CD2-CE2 4.37Å; F521-Y549 AromaticContact CD2-CG 3.57Å; F521-Y549 HydrophobicContact CD2-CG 3.57Å; F521-Y549 AromaticContact CE2-CD2 3.55Å; F521-Y549 HydrophobicContact CE2-CD2 3.55Å; F521-Y549 AromaticContact CE2-CE2 3.96Å; F521-Y549 HydrophobicContact CE2-CE2 3.96Å; F521-Y549 AromaticContact CE2-CG 3.96Å; F521-Y549 HydrophobicContact CE2-CG 3.96Å; F521-Y549 HydrophobicContact CG-CD2 4.27Å; F521-Y549 AromaticContact CG-CG 3.99Å; F521-Y549 HydrophobicContact CG-CG 3.99Å; F521-Y549 HydrophobicContact CZ-CD2 4.03Å; F521-F556 AromaticContact CD1-CD2 3.43Å; F521-F556 HydrophobicContact CD1-CD2 3.43Å; F521-F556 VanDerWaalsContact CD1-CD2 3.43Å; F521-F556 AromaticContact CD1-CE2 4Å; F521-F556 HydrophobicContact CD1-CE2 4Å; F521-F556 HydrophobicContact CD1-CG 4.25Å; F521-F556 HydrophobicContact CE1-CB 3.83Å; F521-F556 AromaticContact CE1-CD2 3.41Å; F521-F556 HydrophobicContact CE1-CD2 3.41Å; F521-F556 VanDerWaalsContact CE1-CD2 3.41Å; F521-F556 HydrophobicContact CE1-CE2 4.18Å; F521-F556 AromaticContact CE1-CG 3.77Å; F521-F556 HydrophobicContact CE1-CG 3.77Å; F521-F556 HydrophobicContact CG-CD2 4.48Å; F521-F556 HydrophobicContact CZ-CB 4.12Å; F521-F556 HydrophobicContact CZ-CD2 4.45Å; F521-F566 HydrophobicContact CE1-CD1 4.19Å; F521-F566 AromaticContact CE1-CE1 3.8Å; F521-F566 HydrophobicContact CE1-CE1 3.8Å; F521-F566 HydrophobicContact CZ-CD1 4.2Å; F521-F566 HydrophobicContact CZ-CE1 4.13Å; F521-F639 AromaticContact CE2-CD1 3.62Å; F521-F639 HydrophobicContact CE2-CD1 3.62Å; F521-F639 AromaticContact CE2-CE1 3.83Å; F521-F639 HydrophobicContact CE2-CE1 3.83Å; F521-F639 AromaticContact CE2-CG 4Å; F521-F639 HydrophobicContact CE2-CG 4Å; F521-F639 HydrophobicContact CE2-CZ 4.39Å; F521-F639 AromaticContact CZ-CD1 3.86Å; F521-F639 HydrophobicContact CZ-CD1 3.86Å; F521-F639 HydrophobicContact CZ-CD2 4.42Å; F521-F639 AromaticContact CZ-CE1 3.59Å; F521-F639 HydrophobicContact CZ-CE1 3.59Å; F521-F639 HydrophobicContact CZ-CE2 4.19Å; F521-F639 HydrophobicContact CZ-CG 4.26Å; F521-F639 AromaticContact CZ-CZ 3.77Å; F521-F639 HydrophobicContact CZ-CZ 3.77Å; F521-S640 WeakPolarHBondContact O-CA 3.45Å; F521-G641 VanDerWaalsContact CE1-CA 3.5Å; F521-G641 PolarHBondContact N-O 3.47Å; F521-G641 PolarHBondContact O-N 2.87Å; F521-G641 VanDerWaalsContact O-N 3.08Å
522T98.6Very high84.6Confident41 Ų4159.1 Ų59.125%0.25235%0.346SS..EExtended strand (participates in β ladder)trans-150.2125.1162.5-71.30000107.4V542 Y543 F639 S640T522-V542 HydrophobicContact CG2-CB 4.04Å; T522-V542 HydrophobicContact CG2-CG2 4.32Å; T522-V542 WeakPolarHBondContact O-CA 3.44Å; T522-V542 WeakPolarHBondContact O-CB 3.09Å; T522-V542 PolarHBondContact O-N 3.16Å; T522-Y543 PolarHBondContact N-O 3.29Å; T522-Y543 PolarHBondContact O-N 3.47Å; T522-F639 WeakPolarHBondContact CA-O 3.18Å; T522-S640 WeakPolarHBondContact CB-OG 3.49Å; T522-S640 VanDerWaalsContact CG2-OG 3.31Å; T522-S640 WeakPolarHBondContact CG2-OG 3.32Å; T522-S640 VanDerWaalsContact OG1-CB 3.32Å; T522-S640 WeakPolarHBondContact OG1-CB 3.43Å; T522-S640 PolarHBondContact OG1-OG 3.49Å
523A98.1Very high87.1Confident0 Ų054.9 Ų54.90%033%0.33CS..EExtended strand (participates in β ladder)trans-130.9150.6-178.400000109.8F538 Q540 I541 Y549 S638 F639A523-F538 HydrophobicContact CB-CB 3.5Å; A523-F538 VanDerWaalsContact CB-CB 3.5Å; A523-F538 WeakPolarHBondContact CB-O 3.5Å; A523-Q540 CarbonylContact C-O 3.59Å; A523-Q540 WeakPolarHBondContact CA-O 3.24Å; A523-I541 HydrophobicContact CB-CD1 3.94Å; A523-Y549 HydrophobicContact CB-CD1 4.1Å; A523-Y549 HydrophobicContact CB-CE1 3.68Å; A523-S638 CarbonylContact O-C 3.57Å; A523-S638 WeakPolarHBondContact O-CA 3.43Å; A523-F639 PolarHBondContact N-O 3.44Å; A523-F639 PolarHBondContact O-N 3.12Å
524V97.8Very high89.9Confident15 Ų1550.9 Ų50.99%0.09131%0.314CS..EExtended strand (participates in β ladder)trans-119.4141.3-179.1166.80000108.8F538 D539 Q540 V542 H636 C637V524-F538 CarbonylContact O-C 3.55Å; V524-F538 VanDerWaalsContact O-C 3.28Å; V524-D539 PolarHBondContact O-N 3.24Å; V524-Q540 HydrophobicContact CB-CB 4.09Å; V524-Q540 HydrophobicContact CG1-CB 4.47Å; V524-Q540 PolarHBondContact N-O 2.89Å; V524-Q540 WeakPolarHBondContact O-CB 3.34Å; V524-Q540 PolarHBondContact O-N 3.41Å; V524-V542 HydrophobicContact CG2-CG2 3.89Å; V524-H636 HydrophobicContact CG1-CB 3.78Å; V524-C637 CarbonylContact C-O 3.57Å; V524-C637 VanDerWaalsContact CA-O 3.3Å; V524-C637 WeakPolarHBondContact CA-O 3.43Å
525L96.6Very high92.2Very high2 Ų246 Ų461%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-91.2125.5172.4169.871.7000108T527 P530 I536 K537 F538 V629 A631 C637L525-T527 WeakPolarHBondContact CD1-O 3.46Å; L525-T527 WeakPolarHBondContact CD1-OG1 3.32Å; L525-T527 WeakPolarHBondContact CD2-O 3.5Å; L525-T527 VanDerWaalsContact CG-O 3.27Å; L525-T527 WeakPolarHBondContact CG-O 3.26Å; L525-P530 HydrophobicContact CD2-CG 4.04Å; L525-I536 HydrophobicContact CD1-CG2 4.25Å; L525-I536 HydrophobicContact CD2-CG2 3.89Å; L525-K537 VanDerWaalsContact CD1-O 3.25Å; L525-K537 WeakPolarHBondContact CD1-O 3.46Å; L525-F538 HydrophobicContact CB-CD1 3.66Å; L525-F538 HydrophobicContact CB-CE1 4.05Å; L525-F538 HydrophobicContact CB-CG 4.3Å; L525-V629 HydrophobicContact CD2-CG1 4.15Å; L525-A631 HydrophobicContact CD2-CB 4.22Å; L525-A631 HydrophobicContact CG-CB 4.08Å; L525-A631 VanDerWaalsContact O-CB 3.28Å; L525-A631 WeakPolarHBondContact O-CB 3.38Å; L525-C637 HydrophobicContact CB-CB 4.03Å; L525-C637 HydrophobicContact CD2-CB 4.1Å; L525-C637 PolarHBondContact N-O 3.5Å
526A85.4Confident94Very high26 Ų2640.3 Ų40.322%0.21526%0.26CS..  trans-89.6-25.117600000113.8D539 Q540A526-D539 PolarHBondContact N-OD1 3.3Å; A526-Q540 HydrophobicContact CB-CG 4.11Å
527T91.5Very high95.2Very high77 Ų7742 Ų4247%0.47226%0.258SS..SBendtrans-101.9130-17051.10000112.2L525L525-T527 WeakPolarHBondContact CD1-O 3.46Å; L525-T527 WeakPolarHBondContact CD1-OG1 3.32Å; L525-T527 WeakPolarHBondContact CD2-O 3.5Å; L525-T527 VanDerWaalsContact CG-O 3.27Å; L525-T527 WeakPolarHBondContact CG-O 3.26Å
528P95.1Very high95.9Very high56 Ų5638.7 Ų38.736%0.36424%0.237SC..SBendtrans-75.215717531.5-33.2000111.2F630 A631P528-F630 HydrophobicContact CB-CD2 3.87Å; P528-F630 HydrophobicContact CB-CE2 4.25Å; P528-A631 WeakPolarHBondContact CB-O 3.18Å; P528-A631 VanDerWaalsContact CD-O 3.29Å; P528-A631 WeakPolarHBondContact CD-O 3.36Å
529Y95.8Very high96.1Very high107 Ų10737.9 Ų37.942%0.4223%0.234SC..SBendtrans55.457.3175.5-45.2-61.9000113.8N627 V629 F630Y529-N627 WeakPolarHBondContact CD1-O 3.23Å; Y529-V629 WeakPolarHBondContact CA-O 3.5Å; Y529-V629 PolarHBondContact N-O 3.47Å; Y529-F630 HydrophobicContact CE2-CD2 4.34Å; Y529-F630 AromaticContact CZ-CD2 4Å
530P96Very high96.1Very high17 Ų1742.4 Ų42.411%0.1126%0.255CS..PPolyproline II helixtrans-61.8159.217530-36.1000111.4L525 A532 I536 I621 N627 V629L525-P530 HydrophobicContact CD2-CG 4.04Å; P530-A532 PolarHBondContact O-N 3.27Å; P530-I536 HydrophobicContact CB-CG2 4.24Å; P530-I536 HydrophobicContact CG-CD1 4.39Å; P530-I536 HydrophobicContact CG-CG1 4.15Å; P530-I536 HydrophobicContact CG-CG2 4.08Å; P530-I621 HydrophobicContact CG-CD1 3.92Å; P530-N627 PolarHBondContact O-ND2 3.35Å; P530-V629 HydrophobicContact CG-CB 4.32Å; P530-V629 HydrophobicContact CG-CG1 3.9Å
531A95.6Very high96Very high65 Ų6544.7 Ų44.754%0.53726%0.263SS..PPolyproline II helixtrans-66.5127.4-173.700000113T534A531-T534 PolarHBondContact O-OG1 3.27Å; A531-T534 VanDerWaalsContact O-OG1 3.1Å
532A96.2Very high96Very high28 Ų2849.4 Ų49.423%0.23129%0.292CS..THydrogen-bonded Turntrans-67.7156.6170.800000111.8P530 T534 I621 E624P530-A532 PolarHBondContact O-N 3.27Å; A532-T534 PolarHBondContact O-N 3.16Å; A532-I621 HydrophobicContact CB-CB 4.26Å; A532-I621 HydrophobicContact CB-CG2 3.87Å; A532-E624 HydrophobicContact CB-CB 3.99Å; A532-E624 HydrophobicContact CB-CG 4.41Å
533G95.6Very high95.9Very high48 Ų4852.2 Ų52.250%0.49530%0.298SS..THydrogen-bonded Turntrans76.4-3.5-177.900000115.1Q620 I621G533-Q620 PolarHBondContact O-NE2 2.86Å; G533-Q620 VanDerWaalsContact O-NE2 3.16Å; G533-I621 PolarHBondContact N-O 3.22Å
534T97Very high95.9Very high65 Ų6553 Ų5340%0.39930%0.303SS..SBendtrans-131159.917854.20000112.5A531 A532 Q620A531-T534 PolarHBondContact O-OG1 3.27Å; A531-T534 VanDerWaalsContact O-OG1 3.1Å; A532-T534 PolarHBondContact O-N 3.16Å; T534-Q620 WeakPolarHBondContact O-CB 3.29Å; T534-Q620 WeakPolarHBondContact O-CG 3.47Å
535P98.3Very high95.8Very high28 Ų2855.2 Ų55.218%0.18232%0.323CS..BIsolated β-bridgetrans-56.4139.4171.4-22.732.6000112.7K537 I555 Y618P535-K537 PolarHBondContact O-N 2.89Å; P535-I555 HydrophobicContact CB-CG1 4.21Å; P535-I555 HydrophobicContact CG-CD1 4.18Å; P535-I555 HydrophobicContact CG-CG1 4.06Å; P535-Y618 HydrophobicContact CB-CD2 3.74Å; P535-Y618 HydrophobicContact CB-CE2 4.36Å; P535-Y618 HydrophobicContact CB-CG 4.06Å; P535-Y618 HydrophobicContact CG-CD2 3.71Å; P535-Y618 HydrophobicContact CG-CE2 3.86Å; P535-Y618 HydrophobicContact CG-CG 4.07Å
536I98.1Very high95.7Very high0 Ų056.8 Ų56.80%033%0.33CS..  trans-73.6124.4173.1-58.5175.1000108.5L525 P530 F538 V579 V619 I621L525-I536 HydrophobicContact CD1-CG2 4.25Å; L525-I536 HydrophobicContact CD2-CG2 3.89Å; P530-I536 HydrophobicContact CB-CG2 4.24Å; P530-I536 HydrophobicContact CG-CD1 4.39Å; P530-I536 HydrophobicContact CG-CG1 4.15Å; P530-I536 HydrophobicContact CG-CG2 4.08Å; I536-F538 HydrophobicContact CB-CD2 4.27Å; I536-F538 HydrophobicContact CB-CE2 3.65Å; I536-F538 HydrophobicContact CB-CZ 4.18Å; I536-F538 HydrophobicContact CG2-CD2 3.93Å; I536-F538 HydrophobicContact CG2-CE1 4.35Å; I536-F538 HydrophobicContact CG2-CE2 3.51Å; I536-F538 HydrophobicContact CG2-CZ 3.73Å; I536-F538 VanDerWaalsContact O-CD2 3.31Å; I536-F538 WeakPolarHBondContact O-CD2 3.33Å; I536-F538 PolarHBondContact O-N 2.84Å; I536-V579 HydrophobicContact CD1-CG1 4.27Å; I536-V619 HydrophobicContact CD1-CB 4.48Å; I536-V619 HydrophobicContact CD1-CG1 3.93Å; I536-V619 PolarHBondContact N-O 3.28Å; I536-I621 HydrophobicContact CD1-CG1 4Å; I536-I621 HydrophobicContact CG1-CG1 4.37Å
537K97.5Very high96.3Very high113 Ų11361.5 Ų61.549%0.49135%0.352SS..  trans-87.398.5178.2-56.5-173.5-177.4-159.80109.6L525 P535 D539 E552L525-K537 VanDerWaalsContact CD1-O 3.25Å; L525-K537 WeakPolarHBondContact CD1-O 3.46Å; P535-K537 PolarHBondContact O-N 2.89Å; K537-D539 PolarHBondContact O-N 3.37Å; K537-D539 VanDerWaalsContact O-N 3.15Å; K537-E552 VanDerWaalsContact CD-O 3.3Å; K537-E552 WeakPolarHBondContact CD-O 3.28Å; K537-E552 WeakPolarHBondContact CE-O 3.3Å; K537-E552 PolarHBondContact NZ-O 2.91Å
538F97.6Very high96.6Very high0 Ų059.2 Ų59.20%034%0.336CS..  trans-80.194.4172.1-62.1-99.7000107.2A523 V524 L525 I536 Y549 I570 V619 C637 F639A523-F538 HydrophobicContact CB-CB 3.5Å; A523-F538 VanDerWaalsContact CB-CB 3.5Å; A523-F538 WeakPolarHBondContact CB-O 3.5Å; V524-F538 CarbonylContact O-C 3.55Å; V524-F538 VanDerWaalsContact O-C 3.28Å; L525-F538 HydrophobicContact CB-CD1 3.66Å; L525-F538 HydrophobicContact CB-CE1 4.05Å; L525-F538 HydrophobicContact CB-CG 4.3Å; I536-F538 HydrophobicContact CB-CD2 4.27Å; I536-F538 HydrophobicContact CB-CE2 3.65Å; I536-F538 HydrophobicContact CB-CZ 4.18Å; I536-F538 HydrophobicContact CG2-CD2 3.93Å; I536-F538 HydrophobicContact CG2-CE1 4.35Å; I536-F538 HydrophobicContact CG2-CE2 3.51Å; I536-F538 HydrophobicContact CG2-CZ 3.73Å; I536-F538 VanDerWaalsContact O-CD2 3.31Å; I536-F538 WeakPolarHBondContact O-CD2 3.33Å; I536-F538 PolarHBondContact O-N 2.84Å; F538-Y549 HydrophobicContact CB-CE1 4.49Å; F538-Y549 PolarHBondContact N-OH 3.38Å; F538-I570 HydrophobicContact CE1-CD1 4.24Å; F538-I570 HydrophobicContact CZ-CD1 4.11Å; F538-V619 HydrophobicContact CE2-CB 4.26Å; F538-C637 HydrophobicContact CE1-CB 4.35Å; F538-F639 HydrophobicContact CD1-CB 3.94Å; F538-F639 HydrophobicContact CD2-CB 3.7Å; F538-F639 HydrophobicContact CD2-CD1 4.13Å; F538-F639 HydrophobicContact CD2-CG 4.38Å; F538-F639 HydrophobicContact CE1-CB 3.82Å; F538-F639 HydrophobicContact CE2-CB 3.55Å; F538-F639 HydrophobicContact CE2-CD1 4.13Å; F538-F639 HydrophobicContact CE2-CG 4.15Å; F538-F639 HydrophobicContact CG-CB 3.91Å; F538-F639 HydrophobicContact CZ-CB 3.63Å
539D94.4Very high96.7Very high76 Ų7656.8 Ų56.841%0.40632%0.319SS..  trans-81.2-24-16558.3-35.2000114.2V524 A526 K537V524-D539 PolarHBondContact O-N 3.24Å; A526-D539 PolarHBondContact N-OD1 3.3Å; K537-D539 PolarHBondContact O-N 3.37Å; K537-D539 VanDerWaalsContact O-N 3.15Å
540Q95.6Very high96.9Very high98 Ų9854.8 Ų54.846%0.45832%0.316SS..EExtended strand (participates in β ladder)trans-94.197.6178.9-63.5-171.2-12.700111.4A523 V524 A526 V542A523-Q540 CarbonylContact C-O 3.59Å; A523-Q540 WeakPolarHBondContact CA-O 3.24Å; V524-Q540 HydrophobicContact CB-CB 4.09Å; V524-Q540 HydrophobicContact CG1-CB 4.47Å; V524-Q540 PolarHBondContact N-O 2.89Å; V524-Q540 WeakPolarHBondContact O-CB 3.34Å; V524-Q540 PolarHBondContact O-N 3.41Å; A526-Q540 HydrophobicContact CB-CG 4.11Å; Q540-V542 PolarHBondContact O-N 3.18Å
541I97.4Very high96.9Very high74 Ų7456 Ų5638%0.37932%0.324SS..EExtended strand (participates in β ladder)trans-69123.9176.4-58.9-57.1000111.3A523 N544 Y549 P551A523-I541 HydrophobicContact CB-CD1 3.94Å; I541-N544 HydrophobicContact CD1-CB 4.42Å; I541-N544 HydrophobicContact CG2-CB 3.57Å; I541-Y549 HydrophobicContact CD1-CD1 3.89Å; I541-Y549 HydrophobicContact CD1-CE1 4.23Å; I541-P551 HydrophobicContact CD1-CB 4.11Å; I541-P551 HydrophobicContact CD1-CG 4.25Å; I541-P551 HydrophobicContact CG1-CG 4.42Å
542V97.2Very high96.9Very high102 Ų10260.5 Ų60.562%0.61833%0.334SS*.EExtended strand (participates in β ladder)trans-96.4-40.7170.1-176.10000110.6T522 V524 Q540T522-V542 HydrophobicContact CG2-CB 4.04Å; T522-V542 HydrophobicContact CG2-CG2 4.32Å; T522-V542 WeakPolarHBondContact O-CA 3.44Å; T522-V542 WeakPolarHBondContact O-CB 3.09Å; T522-V542 PolarHBondContact O-N 3.16Å; V524-V542 HydrophobicContact CG2-CG2 3.89Å; Q540-V542 PolarHBondContact O-N 3.18Å
543Y97.9Very high97Very high99 Ų9961 Ų6139%0.38834%0.336SS..EExtended strand (participates in β ladder)trans-147.5137170.1-178.2-80.9000109.3A520 F521 T522 A545 E546A520-Y543 HydrophobicContact CB-CD1 4.24Å; A520-Y543 HydrophobicContact CB-CE1 3.88Å; A520-Y543 WeakPolarHBondContact O-CD1 3.33Å; A520-Y543 VanDerWaalsContact O-CE1 3.24Å; A520-Y543 WeakPolarHBondContact O-CE1 3.43Å; F521-Y543 CarbonylContact C-O 3.57Å; F521-Y543 WeakPolarHBondContact CA-O 3.3Å; T522-Y543 PolarHBondContact N-O 3.29Å; T522-Y543 PolarHBondContact O-N 3.47Å; Y543-A545 HydrophobicContact CE1-CB 4.04Å; Y543-A545 HydrophobicContact CE2-CB 4Å; Y543-A545 WeakPolarHBondContact OH-CB 3.3Å; Y543-E546 PolarHBondContact OH-OE2 2.9Å
544N97.3Very high97.1Very high17 Ų1758.8 Ų58.89%0.09131%0.312CS..  trans-165.344.4171.9-169.821.5000110.3F521 I541 E546 N547 H548 Y549F521-N544 HydrophobicContact CB-CB 4.46Å; I541-N544 HydrophobicContact CD1-CB 4.42Å; I541-N544 HydrophobicContact CG2-CB 3.57Å; N544-E546 PolarHBondContact O-N 2.96Å; N544-E546 VanDerWaalsContact O-N 3.14Å; N544-N547 PolarHBondContact O-N 2.96Å; N544-N547 WeakPolarHBondContact OD1-CA 3.48Å; N544-N547 PolarHBondContact OD1-N 3.43Å; N544-H548 PolarHBondContact OD1-N 3.48Å; N544-Y549 PolarHBondContact ND2-O 3.04Å; N544-Y549 PolarHBondContact OD1-N 3.42Å
545A94.9Very high97.2Very high62 Ų6257.5 Ų57.551%0.51230%0.303SS..THydrogen-bonded Turntrans-61.5-29.5-16700000113.5Y543 N547Y543-A545 HydrophobicContact CE1-CB 4.04Å; Y543-A545 HydrophobicContact CE2-CB 4Å; Y543-A545 WeakPolarHBondContact OH-CB 3.3Å; A545-N547 PolarHBondContact O-ND2 3.38Å
546E95.4Very high97.2Very high34 Ų3456.1 Ų56.116%0.15929%0.294CS..THydrogen-bonded Turntrans-82.5-12.7175.7-75.665.3-140.500114K515 M518 Y543 N544 H548K515-E546 IonicContact NZ-OE1 3.96Å; K515-E546 PolarHBondContact NZ-OE1 3.27Å; M518-E546 WeakPolarHBondContact O-CG 3.5Å; Y543-E546 PolarHBondContact OH-OE2 2.9Å; N544-E546 PolarHBondContact O-N 2.96Å; N544-E546 VanDerWaalsContact O-N 3.14Å; E546-H548 VanDerWaalsContact C-N 3.28Å; E546-H548 PolarHBondContact O-CD2 2.84Å; E546-H548 VanDerWaalsContact O-CD2 3.22Å; E546-H548 PolarHBondContact O-N 3Å
547N97Very high97.2Very high126 Ų12658 Ų5867%0.67431%0.305SS*.  trans57.932.9-177.2-51.9-90.9000114.2N544 A545N544-N547 PolarHBondContact O-N 2.96Å; N544-N547 WeakPolarHBondContact OD1-CA 3.48Å; N544-N547 PolarHBondContact OD1-N 3.43Å; A545-N547 PolarHBondContact O-ND2 3.38Å
548H97.9Very high97.3Very high29 Ų2952.6 Ų52.613%0.13428%0.282CS..  trans-84.2-14176.3-61.8172000112.9S519 N544 E546 F556 T557S519-H548 WeakPolarHBondContact CB-ND1 3.49Å; S519-H548 PolarHBondContact OG-ND1 3.45Å; N544-H548 PolarHBondContact OD1-N 3.48Å; E546-H548 VanDerWaalsContact C-N 3.28Å; E546-H548 PolarHBondContact O-CD2 2.84Å; E546-H548 VanDerWaalsContact O-CD2 3.22Å; E546-H548 PolarHBondContact O-N 3Å; H548-F556 HydrophobicContact CB-CD2 4.02Å; H548-F556 HydrophobicContact CB-CE2 3.51Å; H548-F556 HydrophobicContact CB-CZ 4.24Å; H548-F556 WeakPolarHBondContact O-CA 3.48Å; H548-F556 WeakPolarHBondContact O-CD2 3.32Å; H548-T557 PolarHBondContact O-N 3.28Å
549Y98.7Very high97.2Very high4 Ų456.4 Ų56.42%0.01630%0.3CS..EExtended strand (participates in β ladder)trans-99.5134.8166.1-177.4-102000110.1F521 A523 F538 I541 N544 P551 G554 F556 F639F521-Y549 HydrophobicContact CB-CG 4.45Å; F521-Y549 HydrophobicContact CD2-CD1 4.17Å; F521-Y549 AromaticContact CD2-CD2 3.68Å; F521-Y549 HydrophobicContact CD2-CD2 3.68Å; F521-Y549 HydrophobicContact CD2-CE2 4.37Å; F521-Y549 AromaticContact CD2-CG 3.57Å; F521-Y549 HydrophobicContact CD2-CG 3.57Å; F521-Y549 AromaticContact CE2-CD2 3.55Å; F521-Y549 HydrophobicContact CE2-CD2 3.55Å; F521-Y549 AromaticContact CE2-CE2 3.96Å; F521-Y549 HydrophobicContact CE2-CE2 3.96Å; F521-Y549 AromaticContact CE2-CG 3.96Å; F521-Y549 HydrophobicContact CE2-CG 3.96Å; F521-Y549 HydrophobicContact CG-CD2 4.27Å; F521-Y549 AromaticContact CG-CG 3.99Å; F521-Y549 HydrophobicContact CG-CG 3.99Å; F521-Y549 HydrophobicContact CZ-CD2 4.03Å; A523-Y549 HydrophobicContact CB-CD1 4.1Å; A523-Y549 HydrophobicContact CB-CE1 3.68Å; F538-Y549 HydrophobicContact CB-CE1 4.49Å; F538-Y549 PolarHBondContact N-OH 3.38Å; I541-Y549 HydrophobicContact CD1-CD1 3.89Å; I541-Y549 HydrophobicContact CD1-CE1 4.23Å; N544-Y549 PolarHBondContact ND2-O 3.04Å; N544-Y549 PolarHBondContact OD1-N 3.42Å; Y549-P551 HydrophobicContact CE1-CB 4.35Å; Y549-G554 VanDerWaalsContact CE2-C 3.5Å; Y549-G554 VanDerWaalsContact CE2-O 3.29Å; Y549-G554 WeakPolarHBondContact CE2-O 3.31Å; Y549-G554 VanDerWaalsContact OH-CA 3.32Å; Y549-G554 WeakPolarHBondContact OH-CA 3.47Å; Y549-G554 PolarHBondContact OH-O 3.48Å; Y549-F556 HydrophobicContact CD2-CB 4.13Å; Y549-F639 AromaticContact CE2-CD1 3.95Å; Y549-F639 HydrophobicContact CE2-CD1 3.95Å; Y549-F639 HydrophobicContact CE2-CE1 4.07Å
550D98.2Very high97.3Very high65 Ų6554.2 Ų54.235%0.34829%0.289SS..EExtended strand (participates in β ladder)trans-106.5114.1173.1168.433.4000110.6E552 S553 G554 I555D550-E552 VanDerWaalsContact C-N 3.3Å; D550-E552 PolarHBondContact O-N 2.9Å; D550-E552 WeakPolarHBondContact OD1-CB 2.87Å; D550-E552 PolarHBondContact OD1-N 3.23Å; D550-S553 WeakPolarHBondContact OD2-CB 3.24Å; D550-S553 PolarHBondContact OD2-N 2.9Å; D550-S553 PolarHBondContact OD2-OG 3.06Å; D550-G554 WeakPolarHBondContact O-CA 3.34Å; D550-G554 PolarHBondContact O-N 2.95Å; D550-I555 PolarHBondContact N-O 2.95Å; D550-I555 PolarHBondContact O-N 2.95Å
551P97Very high97.4Very high43 Ų4350.4 Ų50.428%0.27927%0.272SS..THydrogen-bonded Turntrans-71.1-19.5176.630-34.2000113.6I541 Y549I541-P551 HydrophobicContact CD1-CB 4.11Å; I541-P551 HydrophobicContact CD1-CG 4.25Å; I541-P551 HydrophobicContact CG1-CG 4.42Å; Y549-P551 HydrophobicContact CE1-CB 4.35Å
552E96.6Very high97.4Very high159 Ų15946.9 Ų46.974%0.74325%0.254SS*.THydrogen-bonded Turntrans-76-35.3178.7-68.9-163.3-176.200112.5K537 D550K537-E552 VanDerWaalsContact CD-O 3.3Å; K537-E552 WeakPolarHBondContact CD-O 3.28Å; K537-E552 WeakPolarHBondContact CE-O 3.3Å; K537-E552 PolarHBondContact NZ-O 2.91Å; D550-E552 VanDerWaalsContact C-N 3.3Å; D550-E552 PolarHBondContact O-N 2.9Å; D550-E552 WeakPolarHBondContact OD1-CB 2.87Å; D550-E552 PolarHBondContact OD1-N 3.23Å
553S97.3Very high97.4Very high40 Ų4043 Ų4328%0.2823%0.231SC..THydrogen-bonded Turntrans-92.7-27.8171.462.90000113.9D550 I555D550-S553 WeakPolarHBondContact OD2-CB 3.24Å; D550-S553 PolarHBondContact OD2-N 2.9Å; D550-S553 PolarHBondContact OD2-OG 3.06Å; S553-I555 PolarHBondContact OG-N 2.97Å
554G97.8Very high97.4Very high0 Ų038.2 Ų38.20%021%0.212CC..THydrogen-bonded Turntrans87.312.8-172.500000114.4Y549 D550Y549-G554 VanDerWaalsContact CE2-C 3.5Å; Y549-G554 VanDerWaalsContact CE2-O 3.29Å; Y549-G554 WeakPolarHBondContact CE2-O 3.31Å; Y549-G554 VanDerWaalsContact OH-CA 3.32Å; Y549-G554 WeakPolarHBondContact OH-CA 3.47Å; Y549-G554 PolarHBondContact OH-O 3.48Å; D550-G554 WeakPolarHBondContact O-CA 3.34Å; D550-G554 PolarHBondContact O-N 2.95Å
555I98.7Very high97.5Very high38 Ų3840.9 Ų40.920%0.19522%0.221CC..EExtended strand (participates in β ladder)trans-111.5137.2-167.7-57.9174.8000111.6P535 D550 S553 T616 Y618P535-I555 HydrophobicContact CB-CG1 4.21Å; P535-I555 HydrophobicContact CG-CD1 4.18Å; P535-I555 HydrophobicContact CG-CG1 4.06Å; D550-I555 PolarHBondContact N-O 2.95Å; D550-I555 PolarHBondContact O-N 2.95Å; S553-I555 PolarHBondContact OG-N 2.97Å; I555-T616 HydrophobicContact CG2-CG2 3.99Å; I555-Y618 HydrophobicContact CG1-CD1 4.13Å; I555-Y618 HydrophobicContact CG1-CG 4.31Å; I555-Y618 HydrophobicContact CG2-CD1 4.35Å
556F98.8Very high97.7Very high0 Ų037.9 Ų37.90%020%0.197CC..EExtended strand (participates in β ladder)trans-88.8131.9161.5173.5-90.7000110.1F521 H548 Y549 C558 Y564 F566 L611 T616 V617F521-F556 AromaticContact CD1-CD2 3.43Å; F521-F556 HydrophobicContact CD1-CD2 3.43Å; F521-F556 VanDerWaalsContact CD1-CD2 3.43Å; F521-F556 AromaticContact CD1-CE2 4Å; F521-F556 HydrophobicContact CD1-CE2 4Å; F521-F556 HydrophobicContact CD1-CG 4.25Å; F521-F556 HydrophobicContact CE1-CB 3.83Å; F521-F556 AromaticContact CE1-CD2 3.41Å; F521-F556 HydrophobicContact CE1-CD2 3.41Å; F521-F556 VanDerWaalsContact CE1-CD2 3.41Å; F521-F556 HydrophobicContact CE1-CE2 4.18Å; F521-F556 AromaticContact CE1-CG 3.77Å; F521-F556 HydrophobicContact CE1-CG 3.77Å; F521-F556 HydrophobicContact CG-CD2 4.48Å; F521-F556 HydrophobicContact CZ-CB 4.12Å; F521-F556 HydrophobicContact CZ-CD2 4.45Å; H548-F556 HydrophobicContact CB-CD2 4.02Å; H548-F556 HydrophobicContact CB-CE2 3.51Å; H548-F556 HydrophobicContact CB-CZ 4.24Å; H548-F556 WeakPolarHBondContact O-CA 3.48Å; H548-F556 WeakPolarHBondContact O-CD2 3.32Å; Y549-F556 HydrophobicContact CD2-CB 4.13Å; F556-C558 HydrophobicContact CE1-CB 4.11Å; F556-Y564 HydrophobicContact CE1-CD1 4.43Å; F556-Y564 HydrophobicContact CE1-CE1 4.08Å; F556-Y564 HydrophobicContact CE2-CE1 4.35Å; F556-Y564 HydrophobicContact CZ-CD1 4.14Å; F556-Y564 AromaticContact CZ-CE1 3.48Å; F556-Y564 HydrophobicContact CZ-CE1 3.48Å; F556-Y564 VanDerWaalsContact CZ-CE1 3.48Å; F556-Y564 AromaticContact CZ-CZ 3.87Å; F556-F566 HydrophobicContact CB-CE1 4.28Å; F556-F566 AromaticContact CD1-CE1 3.9Å; F556-F566 HydrophobicContact CD1-CE1 3.9Å; F556-F566 AromaticContact CD1-CZ 3.68Å; F556-F566 HydrophobicContact CD1-CZ 3.68Å; F556-F566 HydrophobicContact CE1-CE1 4.45Å; F556-F566 AromaticContact CE1-CZ 3.9Å; F556-F566 HydrophobicContact CE1-CZ 3.9Å; F556-F566 HydrophobicContact CG-CE1 4.03Å; F556-F566 HydrophobicContact CG-CZ 4.27Å; F556-L611 HydrophobicContact CD1-CD1 4.34Å; F556-L611 HydrophobicContact CE1-CD1 3.8Å; F556-T616 CarbonylContact O-C 3.58Å; F556-T616 VanDerWaalsContact O-CA 3.3Å; F556-T616 WeakPolarHBondContact O-CA 3.31Å; F556-V617 WeakPolarHBondContact CB-O 3.49Å; F556-V617 HydrophobicContact CD1-CB 4.35Å; F556-V617 PolarHBondContact N-O 3.08Å; F556-V617 PolarHBondContact O-N 3.4Å
557T98.7Very high97.8Very high38 Ų3837.9 Ų37.923%0.23320%0.2CC..EExtended strand (participates in β ladder)trans-120.2120.8175.1-54.40000110.2H548 Q559 T616H548-T557 PolarHBondContact O-N 3.28Å; T557-Q559 PolarHBondContact O-N 3.34Å; T557-T616 HydrophobicContact CG2-CG2 4.38Å
558C98.1Very high97.9Very high0 Ų032 Ų320%017%0.169CC..  trans-66.1117.4-177.7-172.40000112.1F556 V560 L611 D612 Q614 D615F556-C558 HydrophobicContact CE1-CB 4.11Å; C558-V560 PolarHBondContact SG-O 3.4Å; C558-L611 HydrophobicContact CB-CB 4.15Å; C558-L611 HydrophobicContact CB-CD1 4.11Å; C558-D612 VanDerWaalsContact CB-O 3.26Å; C558-D612 WeakPolarHBondContact CB-O 3.41Å; C558-D612 PolarHBondContact SG-O 3.35Å; C558-Q614 WeakPolarHBondContact O-CA 3.11Å; C558-Q614 PolarHBondContact O-N 3.26Å; C558-D615 HydrophobicContact CB-CB 4.07Å; C558-D615 WeakPolarHBondContact CB-O 3.27Å; C558-D615 PolarHBondContact N-O 3.45Å
559Q96.9Very high97.9Very high81 Ų8131.7 Ų31.738%0.37917%0.17SC..SBendtrans-106.1-0.9171.2-53.7-57.6-44.300112.9T557 Q614T557-Q559 PolarHBondContact O-N 3.34Å; Q559-Q614 VanDerWaalsContact NE2-OE1 3.12Å
560V96.3Very high97.9Very high30 Ų3031.5 Ų31.518%0.18217%0.169CC..SBendtrans-140.3103.7-178.1-179.80000108.4P517 C558 G562 Y564 L643P517-V560 HydrophobicContact CB-CG1 3.76Å; C558-V560 PolarHBondContact SG-O 3.4Å; V560-G562 PolarHBondContact O-N 3.28Å; V560-Y564 WeakPolarHBondContact O-CE2 3.38Å; V560-Y564 PolarHBondContact O-OH 3.37Å; V560-L643 HydrophobicContact CB-CD2 4.47Å; V560-L643 HydrophobicContact CG1-CD2 3.79Å
561P97Very high97.8Very high17 Ų1730 Ų3011%0.1116%0.16CC..  trans-53.3138.1177.7-27.235.1000112.5L611 E613 S646 T647P561-L611 CarbonylContact C-O 3.48Å; P561-L611 WeakPolarHBondContact CA-O 3.49Å; P561-E613 HydrophobicContact CG-CB 4.1Å; P561-S646 VanDerWaalsContact O-CA 3.32Å; P561-S646 WeakPolarHBondContact O-CA 3.32Å; P561-T647 PolarHBondContact O-N 3.2Å; P561-T647 PolarHBondContact O-OG1 3.48Å
562G96.6Very high97.8Very high0 Ų028 Ų280%015%0.147CC..EExtended strand (participates in β ladder)trans161.5-173178.300000115.9V560 Y564 L611 A645 T647V560-G562 PolarHBondContact O-N 3.28Å; G562-Y564 WeakPolarHBondContact O-CD2 3.31Å; G562-L611 PolarHBondContact N-O 2.89Å; G562-L611 PolarHBondContact O-N 3.2Å; G562-A645 CarbonylContact C-O 3.51Å; G562-A645 VanDerWaalsContact CA-O 3.24Å; G562-A645 WeakPolarHBondContact CA-O 3.48Å; G562-T647 PolarHBondContact N-OG1 3.39Å
563V98Very high97.7Very high20 Ų2022.2 Ų22.212%0.12112%0.121CC..EExtended strand (participates in β ladder)trans-89120.2176-175.10000109V608 L609 L610 I644 A645V563-V608 HydrophobicContact CG1-CG1 3.44Å; V563-V608 VanDerWaalsContact CG1-CG1 3.44Å; V563-L609 WeakPolarHBondContact CA-O 3.25Å; V563-L610 HydrophobicContact CG2-CD1 4.17Å; V563-I644 HydrophobicContact CG1-CD1 4.08Å; V563-I644 WeakPolarHBondContact O-CA 3.43Å; V563-I644 WeakPolarHBondContact O-CB 3.46Å; V563-I644 PolarHBondContact O-N 3.41Å; V563-A645 PolarHBondContact N-O 3.47Å; V563-A645 PolarHBondContact O-N 3.03Å
564Y98.6Very high97.5Very high0 Ų022.5 Ų22.50%013%0.13CC..EExtended strand (participates in β ladder)trans-111.4146.3179.8-78.9-98000111.9S519 F556 V560 G562 F566 V608 L609 L611 F642 L643S519-Y564 VanDerWaalsContact CB-OH 3.27Å; S519-Y564 WeakPolarHBondContact CB-OH 3.47Å; S519-Y564 WeakPolarHBondContact OG-CE1 3.42Å; S519-Y564 PolarHBondContact OG-OH 2.95Å; F556-Y564 HydrophobicContact CE1-CD1 4.43Å; F556-Y564 HydrophobicContact CE1-CE1 4.08Å; F556-Y564 HydrophobicContact CE2-CE1 4.35Å; F556-Y564 HydrophobicContact CZ-CD1 4.14Å; F556-Y564 AromaticContact CZ-CE1 3.48Å; F556-Y564 HydrophobicContact CZ-CE1 3.48Å; F556-Y564 VanDerWaalsContact CZ-CE1 3.48Å; F556-Y564 AromaticContact CZ-CZ 3.87Å; V560-Y564 WeakPolarHBondContact O-CE2 3.38Å; V560-Y564 PolarHBondContact O-OH 3.37Å; G562-Y564 WeakPolarHBondContact O-CD2 3.31Å; Y564-F566 VanDerWaalsContact CB-CE2 3.44Å; Y564-F566 HydrophobicContact CD1-CE2 4.38Å; Y564-F566 HydrophobicContact CD1-CZ 4.32Å; Y564-F566 HydrophobicContact CG-CE2 4.11Å; Y564-F566 HydrophobicContact CG-CZ 4.42Å; Y564-V608 CarbonylContact O-C 3.28Å; Y564-V608 VanDerWaalsContact O-CA 3.27Å; Y564-V608 WeakPolarHBondContact O-CA 3.27Å; Y564-L609 PolarHBondContact N-O 3.04Å; Y564-L609 PolarHBondContact O-N 3Å; Y564-L611 HydrophobicContact CD2-CB 3.91Å; Y564-L611 HydrophobicContact CD2-CD1 3.65Å; Y564-L611 HydrophobicContact CD2-CG 3.8Å; Y564-L611 HydrophobicContact CE2-CB 4.14Å; Y564-L611 HydrophobicContact CE2-CD1 4.06Å; Y564-L611 HydrophobicContact CE2-CG 4.41Å; Y564-L611 HydrophobicContact CG-CD1 3.92Å; Y564-L611 HydrophobicContact CG-CG 4.35Å; Y564-F642 CarbonylContact C-O 3.53Å; Y564-F642 WeakPolarHBondContact CA-O 3.28Å; Y564-F642 VanDerWaalsContact CD1-C 3.44Å; Y564-F642 WeakPolarHBondContact CD1-O 3.34Å; Y564-L643 HydrophobicContact CD1-CB 4.21Å; Y564-L643 HydrophobicContact CD2-CD1 3.99Å; Y564-L643 HydrophobicContact CE1-CB 3.76Å; Y564-L643 HydrophobicContact CE1-CD1 4.31Å; Y564-L643 HydrophobicContact CE2-CD1 3.58Å
565Y98.6Very high97.3Very high72 Ų7224.3 Ų24.328%0.28215%0.145SC..EExtended strand (participates in β ladder)trans-100.6135.7161.4179.9-100.1000109.3S606 V608 G641 F642Y565-S606 WeakPolarHBondContact OH-CB 3.36Å; Y565-S606 PolarHBondContact OH-OG 3Å; Y565-V608 HydrophobicContact CD2-CG2 3.98Å; Y565-G641 CarbonylContact O-C 3.57Å; Y565-G641 WeakPolarHBondContact O-CA 3.3Å; Y565-F642 HydrophobicContact CD1-CD1 4.15Å; Y565-F642 AromaticContact CD1-CE1 3.44Å; Y565-F642 HydrophobicContact CD1-CE1 3.44Å; Y565-F642 VanDerWaalsContact CD1-CE1 3.44Å; Y565-F642 AromaticContact CD1-CZ 3.9Å; Y565-F642 HydrophobicContact CD1-CZ 3.9Å; Y565-F642 HydrophobicContact CE1-CE1 4.28Å; Y565-F642 HydrophobicContact CG-CE1 4.08Å; Y565-F642 HydrophobicContact CG-CZ 4.13Å; Y565-F642 PolarHBondContact N-O 3.08Å; Y565-F642 PolarHBondContact O-N 3.49Å
566F98.8Very high97.2Very high0 Ų026.6 Ų26.60%016%0.155CC..EExtended strand (participates in β ladder)trans-124.7142.3170.7-69.4-92.7000110F521 F556 Y564 L581 S606 A607 L609 L611 V617 F639 S640F521-F566 HydrophobicContact CE1-CD1 4.19Å; F521-F566 AromaticContact CE1-CE1 3.8Å; F521-F566 HydrophobicContact CE1-CE1 3.8Å; F521-F566 HydrophobicContact CZ-CD1 4.2Å; F521-F566 HydrophobicContact CZ-CE1 4.13Å; F556-F566 HydrophobicContact CB-CE1 4.28Å; F556-F566 AromaticContact CD1-CE1 3.9Å; F556-F566 HydrophobicContact CD1-CE1 3.9Å; F556-F566 AromaticContact CD1-CZ 3.68Å; F556-F566 HydrophobicContact CD1-CZ 3.68Å; F556-F566 HydrophobicContact CE1-CE1 4.45Å; F556-F566 AromaticContact CE1-CZ 3.9Å; F556-F566 HydrophobicContact CE1-CZ 3.9Å; F556-F566 HydrophobicContact CG-CE1 4.03Å; F556-F566 HydrophobicContact CG-CZ 4.27Å; Y564-F566 VanDerWaalsContact CB-CE2 3.44Å; Y564-F566 HydrophobicContact CD1-CE2 4.38Å; Y564-F566 HydrophobicContact CD1-CZ 4.32Å; Y564-F566 HydrophobicContact CG-CE2 4.11Å; Y564-F566 HydrophobicContact CG-CZ 4.42Å; F566-L581 HydrophobicContact CB-CD2 4.37Å; F566-S606 CarbonylContact O-C 3.55Å; F566-S606 WeakPolarHBondContact O-CA 3.39Å; F566-S606 VanDerWaalsContact O-CB 3.26Å; F566-S606 WeakPolarHBondContact O-CB 3.4Å; F566-A607 PolarHBondContact N-O 2.87Å; F566-A607 PolarHBondContact O-N 2.94Å; F566-L609 HydrophobicContact CD2-CD1 3.75Å; F566-L609 HydrophobicContact CD2-CG 4.22Å; F566-L609 HydrophobicContact CE2-CB 4.49Å; F566-L609 HydrophobicContact CE2-CD1 3.94Å; F566-L611 HydrophobicContact CE2-CD1 3.85Å; F566-L611 HydrophobicContact CZ-CD1 3.83Å; F566-V617 HydrophobicContact CD1-CB 4.49Å; F566-V617 HydrophobicContact CD1-CG1 3.84Å; F566-V617 HydrophobicContact CD2-CG1 4.25Å; F566-V617 HydrophobicContact CE1-CB 3.82Å; F566-V617 HydrophobicContact CE1-CG1 3.67Å; F566-V617 HydrophobicContact CE1-CG2 4.35Å; F566-V617 HydrophobicContact CE2-CB 4.33Å; F566-V617 HydrophobicContact CE2-CG1 4.1Å; F566-V617 HydrophobicContact CE2-CG2 4.02Å; F566-V617 HydrophobicContact CG-CG1 4.13Å; F566-V617 HydrophobicContact CZ-CB 3.74Å; F566-V617 HydrophobicContact CZ-CG1 3.82Å; F566-V617 HydrophobicContact CZ-CG2 3.75Å; F566-F639 HydrophobicContact CB-CE2 4.37Å; F566-F639 AromaticContact CD1-CE2 3.86Å; F566-F639 HydrophobicContact CD1-CE2 3.86Å; F566-F639 AromaticContact CD1-CZ 3.85Å; F566-F639 HydrophobicContact CD1-CZ 3.85Å; F566-F639 HydrophobicContact CE1-CZ 4.35Å; F566-S640 WeakPolarHBondContact CA-O 3.18Å
567S98.6Very high97.1Very high33 Ų3326.6 Ų26.623%0.23116%0.155CC..EExtended strand (participates in β ladder)trans-143.6146.7173.1550000111.8G605 F639 S640S567-G605 WeakPolarHBondContact CA-O 3.47Å; S567-F639 WeakPolarHBondContact O-CD2 3.3Å; S567-S640 PolarHBondContact N-O 3.38Å; S567-S640 PolarHBondContact O-N 3.38Å
568Y98.6Very high97.1Very high4 Ų426.5 Ų26.52%0.01615%0.153CC..EExtended strand (participates in β ladder)trans-135.2149.2171.352.1-89.4000111.1I570 V579 L581 T591 S604 G605 V619 S638Y568-I570 HydrophobicContact CD2-CG1 4.05Å; Y568-V579 HydrophobicContact CD2-CG2 4.21Å; Y568-V579 HydrophobicContact CE2-CG2 3.55Å; Y568-L581 HydrophobicContact CD1-CD1 4.37Å; Y568-L581 HydrophobicContact CE1-CB 3.97Å; Y568-L581 HydrophobicContact CE1-CD1 4.25Å; Y568-L581 HydrophobicContact CE1-CG 4.5Å; Y568-T591 PolarHBondContact OH-OG1 3.3Å; Y568-S604 WeakPolarHBondContact O-CA 3.5Å; Y568-S604 WeakPolarHBondContact O-CB 3.1Å; Y568-G605 PolarHBondContact N-O 3.39Å; Y568-G605 PolarHBondContact O-N 3.41Å; Y568-G605 VanDerWaalsContact O-N 3.14Å; Y568-V619 HydrophobicContact CD1-CG2 3.77Å; Y568-V619 HydrophobicContact CE1-CG2 4.37Å; Y568-V619 HydrophobicContact CG-CG2 4.03Å; Y568-S638 CarbonylContact C-O 3.6Å; Y568-S638 WeakPolarHBondContact CA-O 3.49Å; Y568-S638 WeakPolarHBondContact CB-O 3.31Å
569S97.9Very high97.1Very high22 Ų2226.5 Ų26.515%0.15415%0.153CC..EExtended strand (participates in β ladder)trans-128.6125.2174.3175.90000107.9Q602 C637 S638S569-Q602 PolarHBondContact OG-NE2 3.15Å; S569-C637 CarbonylContact O-C 3.5Å; S569-C637 VanDerWaalsContact O-CA 3.31Å; S569-C637 WeakPolarHBondContact O-CA 3.23Å; S569-S638 PolarHBondContact N-O 3.35Å; S569-S638 PolarHBondContact O-N 3.13Å
570I98.1Very high97.1Very high0 Ų022.6 Ų22.60%014%0.135CC..EExtended strand (participates in β ladder)trans-131.1127.6-172.5-58.9-65.5000109F538 Y568 V579 Q602 M603 V629 C637F538-I570 HydrophobicContact CE1-CD1 4.24Å; F538-I570 HydrophobicContact CZ-CD1 4.11Å; Y568-I570 HydrophobicContact CD2-CG1 4.05Å; I570-V579 HydrophobicContact CG1-CG1 4.47Å; I570-Q602 WeakPolarHBondContact O-CA 3.18Å; I570-M603 HydrophobicContact CB-CE 3.85Å; I570-M603 HydrophobicContact CB-CG 3.96Å; I570-M603 HydrophobicContact CG1-CE 4.41Å; I570-M603 HydrophobicContact CG2-CE 3.5Å; I570-M603 HydrophobicContact CG2-CG 4.4Å; I570-M603 PolarHBondContact N-O 3.07Å; I570-M603 PolarHBondContact O-N 3Å; I570-V629 HydrophobicContact CG2-CB 4.26Å; I570-V629 HydrophobicContact CG2-CG1 3.91Å; I570-V629 HydrophobicContact CG2-CG2 3.86Å; I570-C637 HydrophobicContact CD1-CB 3.96Å
571H97.2Very high97.2Very high34 Ų3421.2 Ų21.216%0.15713%0.126CC..EExtended strand (participates in β ladder)trans-87.4146.6171.8-75.6-67.1000111.5L600 D601 F630 V635 C637H571-L600 HydrophobicContact CB-CD1 4.16Å; H571-D601 WeakPolarHBondContact CA-O 3.27Å; H571-D601 PolarHBondContact ND1-O 3.41Å; H571-F630 WeakPolarHBondContact CB-O 3.39Å; H571-F630 PolarHBondContact O-N 3.13Å; H571-V635 HydrophobicContact CB-CG1 3.76Å; H571-V635 VanDerWaalsContact CD2-CG1 3.44Å; H571-V635 WeakPolarHBondContact CD2-CG1 3.31Å; H571-C637 PolarHBondContact N-SG 3.15Å
572V96.9Very high97.3Very high0 Ų021.4 Ų21.40%013%0.125CC..EExtended strand (participates in β ladder)trans-124.8118.3-165.4177.80000110A577 D593 D601 M603 G628V572-A577 HydrophobicContact CB-CB 4.31Å; V572-A577 HydrophobicContact CG1-CB 3.82Å; V572-A577 HydrophobicContact CG2-CB 3.68Å; V572-D593 HydrophobicContact CG1-CB 4.42Å; V572-D593 HydrophobicContact CG2-CB 4.07Å; V572-D593 WeakPolarHBondContact CG2-OD2 3.34Å; V572-D601 HydrophobicContact CB-CB 4.26Å; V572-D601 PolarHBondContact N-O 3.4Å; V572-D601 PolarHBondContact O-N 3.2Å; V572-M603 HydrophobicContact CG2-CE 4.19Å; V572-M603 HydrophobicContact CG2-CG 3.93Å; V572-M603 HydrophobicContact CG2-SD 4.35Å; V572-G628 WeakPolarHBondContact CA-O 3.16Å
573N95.1Very high97.4Very high38 Ų3823.5 Ų23.520%0.20313%0.134CC..EExtended strand (participates in β ladder)trans-153.4152.5-175-161.1-0.2000111.7A575 Y595 L600 G628 F630N573-A575 PolarHBondContact O-N 3.22Å; N573-Y595 WeakPolarHBondContact OD1-CE2 3.33Å; N573-L600 HydrophobicContact CB-CD1 3.89Å; N573-G628 PolarHBondContact N-O 3.4Å; N573-F630 HydrophobicContact CB-CB 3.53Å; N573-F630 HydrophobicContact CB-CD1 4.07Å; N573-F630 HydrophobicContact CB-CD2 3.93Å; N573-F630 HydrophobicContact CB-CG 3.56Å
574G92.6Very high97.4Very high46 Ų4626.3 Ų26.347%0.47415%0.148SC..EExtended strand (participates in β ladder)trans76.7-45.317400000115.3Y595G574-Y595 VanDerWaalsContact CA-CE1 3.46Å; G574-Y595 VanDerWaalsContact N-CZ 3.31Å; G574-Y595 WeakPolarHBondContact O-CD1 3.35Å; G574-Y595 VanDerWaalsContact O-CE1 3.3Å; G574-Y595 WeakPolarHBondContact O-CE1 3.36Å
575A93.9Very high97.3Very high38 Ų3828.1 Ų28.131%0.31417%0.167SC..EExtended strand (participates in β ladder)trans-142.2167.1177.700000110.8N573 Y595 G628N573-A575 PolarHBondContact O-N 3.22Å; A575-Y595 VanDerWaalsContact C-CB 3.45Å; A575-Y595 WeakPolarHBondContact O-CB 3.4Å; A575-G628 WeakPolarHBondContact O-CA 3.14Å
576H95.7Very high97.3Very high86 Ų8631.3 Ų31.340%0.39818%0.184SC..EExtended strand (participates in β ladder)trans-61.2150.7170.1-49.7-52.6000110.1Y592 D593 Y595 A626 G628H576-Y592 HydrophobicContact CB-CE2 3.99Å; H576-D593 WeakPolarHBondContact CA-O 3.44Å; H576-Y595 PolarHBondContact ND1-N 3.05Å; H576-A626 CarbonylContact O-C 3.54Å; H576-A626 VanDerWaalsContact O-CA 3.23Å; H576-A626 WeakPolarHBondContact O-CA 3.33Å; H576-A626 VanDerWaalsContact O-O 3.11Å; H576-G628 WeakPolarHBondContact O-CA 3.46Å; H576-G628 PolarHBondContact O-N 3.29Å
577A97.1Very high97.2Very high0 Ų033.8 Ų33.80%020%0.201CC..EExtended strand (participates in β ladder)trans-117.5127.2-176.900000111.7V572 Y592 D593 M603 A626 V629V572-A577 HydrophobicContact CB-CB 4.31Å; V572-A577 HydrophobicContact CG1-CB 3.82Å; V572-A577 HydrophobicContact CG2-CB 3.68Å; A577-Y592 CarbonylContact O-C 3.58Å; A577-Y592 VanDerWaalsContact O-CA 3.3Å; A577-Y592 WeakPolarHBondContact O-CA 3.46Å; A577-Y592 VanDerWaalsContact O-CD2 3.31Å; A577-Y592 WeakPolarHBondContact O-CD2 3.46Å; A577-D593 PolarHBondContact N-O 2.99Å; A577-D593 PolarHBondContact O-N 3.03Å; A577-M603 HydrophobicContact CB-CE 3.42Å; A577-M603 VanDerWaalsContact CB-CE 3.42Å; A577-M603 HydrophobicContact CB-SD 4.25Å; A577-A626 CarbonylContact C-O 3.53Å; A577-A626 VanDerWaalsContact CA-O 3.31Å; A577-A626 WeakPolarHBondContact CA-O 3.36Å; A577-V629 HydrophobicContact CB-CG2 4.45Å
578L97.8Very high97.2Very high35 Ų3535.7 Ų35.718%0.18321%0.208CC..EExtended strand (participates in β ladder)trans-120117.5168.5-17767.5000109.2F590 Y592 P622 D623 A626L578-F590 HydrophobicContact CD1-CD1 4.29Å; L578-Y592 HydrophobicContact CB-CD2 4.13Å; L578-Y592 HydrophobicContact CD1-CD2 4.1Å; L578-Y592 HydrophobicContact CD1-CG 4.43Å; L578-P622 HydrophobicContact CD2-CB 4.23Å; L578-P622 HydrophobicContact CD2-CG 4.04Å; L578-P622 HydrophobicContact CG-CG 4.13Å; L578-P622 VanDerWaalsContact O-CD 3.23Å; L578-P622 WeakPolarHBondContact O-CD 3.46Å; L578-D623 HydrophobicContact CD2-CB 4.33Å; L578-A626 HydrophobicContact CB-CB 3.55Å; L578-A626 PolarHBondContact N-O 3.25Å
579V98.2Very high97.2Very high0 Ų038.1 Ų38.10%022%0.22CC..EExtended strand (participates in β ladder)trans-119148.8168.6-65.60000110I536 Y568 I570 F590 T591 M603 V619 I621 V629I536-V579 HydrophobicContact CD1-CG1 4.27Å; Y568-V579 HydrophobicContact CD2-CG2 4.21Å; Y568-V579 HydrophobicContact CE2-CG2 3.55Å; I570-V579 HydrophobicContact CG1-CG1 4.47Å; V579-F590 WeakPolarHBondContact O-CA 3.36Å; V579-T591 PolarHBondContact N-O 3.48Å; V579-T591 PolarHBondContact O-N 3.18Å; V579-T591 VanDerWaalsContact O-O 3.11Å; V579-M603 HydrophobicContact CB-CE 4.17Å; V579-M603 HydrophobicContact CG1-CE 3.69Å; V579-M603 HydrophobicContact CG2-CE 3.56Å; V579-M603 HydrophobicContact CG2-SD 4.07Å; V579-V619 HydrophobicContact CB-CG1 3.95Å; V579-V619 HydrophobicContact CG1-CG1 4.33Å; V579-I621 HydrophobicContact CG1-CG1 4.19Å; V579-V629 HydrophobicContact CG1-CG2 3.83Å
580A98.3Very high97.2Very high0 Ų042.7 Ų42.70%024%0.237CC..EExtended strand (participates in β ladder)trans-127.5142.5167.300000111.3Y582 P587 M589 F590 V619 Q620 P622A580-Y582 HydrophobicContact CB-CD2 4.21Å; A580-Y582 HydrophobicContact CB-CE2 3.65Å; A580-Y582 WeakPolarHBondContact O-CD2 3.31Å; A580-P587 HydrophobicContact CB-CB 4.24Å; A580-M589 CarbonylContact C-O 3.03Å; A580-M589 WeakPolarHBondContact CA-O 3.18Å; A580-M589 WeakPolarHBondContact CB-O 3.13Å; A580-F590 HydrophobicContact CB-CD1 3.66Å; A580-F590 HydrophobicContact CB-CE1 3.85Å; A580-F590 HydrophobicContact CB-CG 4.2Å; A580-V619 WeakPolarHBondContact O-CA 3.4Å; A580-Q620 PolarHBondContact N-O 3.31Å; A580-Q620 PolarHBondContact O-N 3.16Å; A580-P622 HydrophobicContact CB-CG 3.86Å
581L98.8Very high97.2Very high0 Ų043.9 Ų43.90%024%0.244CC..EExtended strand (participates in β ladder)trans-82.5131.3163.8-169.169.7000107.8F566 Y568 I588 M589 A607 L609 V617 V619 F639F566-L581 HydrophobicContact CB-CD2 4.37Å; Y568-L581 HydrophobicContact CD1-CD1 4.37Å; Y568-L581 HydrophobicContact CE1-CB 3.97Å; Y568-L581 HydrophobicContact CE1-CD1 4.25Å; Y568-L581 HydrophobicContact CE1-CG 4.5Å; L581-I588 HydrophobicContact CB-CD1 4.47Å; L581-I588 HydrophobicContact CB-CG1 4.22Å; L581-I588 HydrophobicContact CD2-CD1 3.77Å; L581-I588 HydrophobicContact CD2-CG1 4.37Å; L581-I588 HydrophobicContact CG-CD1 3.98Å; L581-I588 HydrophobicContact CG-CG1 4.23Å; L581-I588 WeakPolarHBondContact O-CG1 3.29Å; L581-I588 PolarHBondContact O-N 3.41Å; L581-M589 HydrophobicContact CB-CB 4.25Å; L581-M589 PolarHBondContact N-O 3.39Å; L581-M589 PolarHBondContact O-N 2.87Å; L581-A607 HydrophobicContact CD2-CB 3.78Å; L581-L609 HydrophobicContact CD2-CD1 4.4Å; L581-V617 HydrophobicContact CD1-CG1 3.88Å; L581-V617 HydrophobicContact CG-CG1 4.28Å; L581-V619 HydrophobicContact CD1-CG2 3.91Å; L581-F639 HydrophobicContact CD1-CE2 3.83Å; L581-F639 HydrophobicContact CD1-CZ 4.04Å
582Y98.7Very high97.2Very high22 Ų2247.6 Ų47.69%0.08626%0.258CS..EExtended strand (participates in β ladder)trans-111.5144.6177.9-72.5-106000110.4A580 Q586 P587 V617 Y618 Q620A580-Y582 HydrophobicContact CB-CD2 4.21Å; A580-Y582 HydrophobicContact CB-CE2 3.65Å; A580-Y582 WeakPolarHBondContact O-CD2 3.31Å; Y582-Q586 CarbonylContact C-O 3.51Å; Y582-Q586 VanDerWaalsContact CA-O 3.25Å; Y582-Q586 WeakPolarHBondContact CA-O 3.32Å; Y582-P587 HydrophobicContact CD1-CB 4.08Å; Y582-P587 HydrophobicContact CE1-CB 3.77Å; Y582-P587 HydrophobicContact CE1-CG 4.11Å; Y582-P587 HydrophobicContact CE2-CB 4.42Å; Y582-V617 WeakPolarHBondContact O-CA 3.24Å; Y582-Y618 VanDerWaalsContact CB-CZ 3.49Å; Y582-Y618 HydrophobicContact CD1-CE2 4.22Å; Y582-Y618 HydrophobicContact CD2-CD2 4.18Å; Y582-Y618 AromaticContact CD2-CE2 3.68Å; Y582-Y618 HydrophobicContact CD2-CE2 3.68Å; Y582-Y618 HydrophobicContact CE2-CE2 4.43Å; Y582-Y618 HydrophobicContact CG-CD2 4.28Å; Y582-Y618 AromaticContact CG-CE2 3.56Å; Y582-Y618 HydrophobicContact CG-CE2 3.56Å; Y582-Y618 AromaticContact CG-CZ 3.75Å; Y582-Y618 PolarHBondContact N-O 3.49Å; Y582-Y618 PolarHBondContact O-N 3.48Å; Y582-Q620 HydrophobicContact CD2-CB 3.86Å; Y582-Q620 HydrophobicContact CE2-CB 3.56Å; Y582-Q620 HydrophobicContact CE2-CG 3.79Å
583K98.5Very high97.2Very high43 Ų4349.2 Ų49.219%0.18727%0.266CS..EExtended strand (participates in β ladder)trans-119.4125.2160-177.9-1771771790108.1G585 Q586 I588 L610 L611 D615 T616K583-G585 VanDerWaalsContact C-N 3.26Å; K583-G585 PolarHBondContact O-N 3.49Å; K583-Q586 PolarHBondContact N-O 3.37Å; K583-Q586 WeakPolarHBondContact O-CB 3.41Å; K583-Q586 PolarHBondContact O-N 2.91Å; K583-I588 HydrophobicContact CB-CD1 4.14Å; K583-I588 HydrophobicContact CB-CG2 4.07Å; K583-L610 PolarHBondContact NZ-O 3.28Å; K583-L611 HydrophobicContact CD-CD2 3.85Å; K583-L611 HydrophobicContact CG-CD2 4.34Å; K583-D615 WeakPolarHBondContact CE-OD2 3.43Å; K583-D615 IonicContact NZ-OD1 3.67Å; K583-D615 IonicContact NZ-OD2 3.78Å; K583-D615 PolarHBondContact NZ-OD2 3.47Å; K583-T616 CarbonylContact C-O 3.51Å; K583-T616 VanDerWaalsContact CA-O 3.31Å; K583-T616 WeakPolarHBondContact CA-O 3.45Å
584N98.1Very high97.2Very high79 Ų7952.8 Ų52.842%0.42228%0.282SS..THydrogen-bonded Turntrans49.941.5177-59.5-14.5000114.3Q586 D615 T616N584-Q586 PolarHBondContact O-N 3.31Å; N584-D615 PolarHBondContact ND2-OD1 3.29Å; N584-D615 WeakPolarHBondContact OD1-CA 3.44Å; N584-D615 PolarHBondContact OD1-OD1 3.23Å; N584-T616 WeakPolarHBondContact CA-OG1 3.33Å; N584-T616 PolarHBondContact N-O 3.48Å; N584-T616 PolarHBondContact OD1-N 3.33Å; N584-T616 PolarHBondContact OD1-OG1 3.03Å
585G97Very high97.3Very high39 Ų3952.7 Ų52.740%0.40227%0.267SS..THydrogen-bonded Turntrans75.1-2-177.600000115.7K583K583-G585 VanDerWaalsContact C-N 3.26Å; K583-G585 PolarHBondContact O-N 3.49Å
586Q97.9Very high97.1Very high138 Ų13855.5 Ų55.565%0.64528%0.277SS*.EExtended strand (participates in β ladder)trans-94.9128.1171.2-65.8-69.2-66.400110.4Y582 K583 N584 I588Y582-Q586 CarbonylContact C-O 3.51Å; Y582-Q586 VanDerWaalsContact CA-O 3.25Å; Y582-Q586 WeakPolarHBondContact CA-O 3.32Å; K583-Q586 PolarHBondContact N-O 3.37Å; K583-Q586 WeakPolarHBondContact O-CB 3.41Å; K583-Q586 PolarHBondContact O-N 2.91Å; N584-Q586 PolarHBondContact O-N 3.31Å; Q586-I588 PolarHBondContact O-N 2.95Å
587P97.5Very high96.9Very high52 Ų5260.5 Ų60.534%0.33830%0.298SS..EExtended strand (participates in β ladder)trans-71.8126.2172.429.4-32000109.9A580 Y582 F590A580-P587 HydrophobicContact CB-CB 4.24Å; Y582-P587 HydrophobicContact CD1-CB 4.08Å; Y582-P587 HydrophobicContact CE1-CB 3.77Å; Y582-P587 HydrophobicContact CE1-CG 4.11Å; Y582-P587 HydrophobicContact CE2-CB 4.42Å; P587-F590 HydrophobicContact CB-CE1 4.27Å; P587-F590 HydrophobicContact CB-CE2 3.9Å; P587-F590 HydrophobicContact CB-CZ 3.57Å; P587-F590 HydrophobicContact CG-CE2 4.2Å; P587-F590 HydrophobicContact CG-CZ 3.76Å
588I97.5Very high96.4Very high74 Ų7463.6 Ų63.638%0.37933%0.329SS..EExtended strand (participates in β ladder)trans-110.5-18.2-175.449.9160.3000113.2L581 K583 Q586 L609L581-I588 HydrophobicContact CB-CD1 4.47Å; L581-I588 HydrophobicContact CB-CG1 4.22Å; L581-I588 HydrophobicContact CD2-CD1 3.77Å; L581-I588 HydrophobicContact CD2-CG1 4.37Å; L581-I588 HydrophobicContact CG-CD1 3.98Å; L581-I588 HydrophobicContact CG-CG1 4.23Å; L581-I588 WeakPolarHBondContact O-CG1 3.29Å; L581-I588 PolarHBondContact O-N 3.41Å; K583-I588 HydrophobicContact CB-CD1 4.14Å; K583-I588 HydrophobicContact CB-CG2 4.07Å; Q586-I588 PolarHBondContact O-N 2.95Å; I588-L609 HydrophobicContact CD1-CD1 3.51Å; I588-L609 HydrophobicContact CD1-CD2 3.51Å; I588-L609 HydrophobicContact CD1-CG 4.16Å
589M98.1Very high96.1Very high55 Ų5568.7 Ų68.727%0.27135%0.35SS..EExtended strand (participates in β ladder)trans-156.1127.2178.5176.2178.9-68.400109.2A580 L581 S606 A607A580-M589 CarbonylContact C-O 3.03Å; A580-M589 WeakPolarHBondContact CA-O 3.18Å; A580-M589 WeakPolarHBondContact CB-O 3.13Å; L581-M589 HydrophobicContact CB-CB 4.25Å; L581-M589 PolarHBondContact N-O 3.39Å; L581-M589 PolarHBondContact O-N 2.87Å; M589-S606 WeakPolarHBondContact CE-O 3.38Å; M589-A607 HydrophobicContact CE-CB 3.83Å
590F98.1Very high95.8Very high117 Ų11772.8 Ų72.851%0.51337%0.372SS..EExtended strand (participates in β ladder)trans-102.1141.6170.1-63.7-95.8000109.4L578 V579 A580 P587 P622L578-F590 HydrophobicContact CD1-CD1 4.29Å; V579-F590 WeakPolarHBondContact O-CA 3.36Å; A580-F590 HydrophobicContact CB-CD1 3.66Å; A580-F590 HydrophobicContact CB-CE1 3.85Å; A580-F590 HydrophobicContact CB-CG 4.2Å; P587-F590 HydrophobicContact CB-CE1 4.27Å; P587-F590 HydrophobicContact CB-CE2 3.9Å; P587-F590 HydrophobicContact CB-CZ 3.57Å; P587-F590 HydrophobicContact CG-CE2 4.2Å; P587-F590 HydrophobicContact CG-CZ 3.76Å; F590-P622 HydrophobicContact CD1-CG 4.3Å; F590-P622 HydrophobicContact CE1-CG 4.06Å
591T98.3Very high95.7Very high25 Ų2576 Ų7615%0.15339%0.389CS..EExtended strand (participates in β ladder)trans-127.7129.7166.6-58.50000107.6Y568 V579 M603Y568-T591 PolarHBondContact OH-OG1 3.3Å; V579-T591 PolarHBondContact N-O 3.48Å; V579-T591 PolarHBondContact O-N 3.18Å; V579-T591 VanDerWaalsContact O-O 3.11Å; T591-M603 HydrophobicContact CG2-CB 3.83Å; T591-M603 HydrophobicContact CG2-CG 4.09Å; T591-M603 HydrophobicContact CG2-SD 3.74Å
592Y97.4Very high95.6Very high113 Ų11381.1 Ų81.144%0.44341%0.413SS..EExtended strand (participates in β ladder)trans-128.9143.8-176.6175.5-105.8000109.7H576 A577 L578 E594H576-Y592 HydrophobicContact CB-CE2 3.99Å; A577-Y592 CarbonylContact O-C 3.58Å; A577-Y592 VanDerWaalsContact O-CA 3.3Å; A577-Y592 WeakPolarHBondContact O-CA 3.46Å; A577-Y592 VanDerWaalsContact O-CD2 3.31Å; A577-Y592 WeakPolarHBondContact O-CD2 3.46Å; L578-Y592 HydrophobicContact CB-CD2 4.13Å; L578-Y592 HydrophobicContact CD1-CD2 4.1Å; L578-Y592 HydrophobicContact CD1-CG 4.43Å; Y592-E594 HydrophobicContact CD1-CG 4.47Å; Y592-E594 HydrophobicContact CE1-CG 3.5Å
593D97Very high95.5Very high33 Ų3380.6 Ų80.618%0.17641%0.412CS..EExtended strand (participates in β ladder)trans-148.3142.5-178.8-167.110.7000112.5V572 H576 A577 M603V572-D593 HydrophobicContact CG1-CB 4.42Å; V572-D593 HydrophobicContact CG2-CB 4.07Å; V572-D593 WeakPolarHBondContact CG2-OD2 3.34Å; H576-D593 WeakPolarHBondContact CA-O 3.44Å; A577-D593 PolarHBondContact N-O 2.99Å; A577-D593 PolarHBondContact O-N 3.03Å; D593-M603 HydrophobicContact CB-CB 3.92Å; D593-M603 HydrophobicContact CB-CG 4.24Å; D593-M603 HydrophobicContact CB-SD 3.9Å
594E95.1Very high95.5Very high114 Ų11482.6 Ų82.653%0.53343%0.431SS..  trans-102.494.2-170.9-68.3-167.2170.900111.6Y592 N596Y592-E594 HydrophobicContact CD1-CG 4.47Å; Y592-E594 HydrophobicContact CE1-CG 3.5Å; E594-N596 PolarHBondContact O-N 3.12Å; E594-N596 PolarHBondContact O-ND2 3.43Å
595Y93.7Very high95.4Very high43 Ų4379.1 Ų79.117%0.16941%0.414CS..  trans-51.5113173.9170.1-117.2000112.9N573 G574 A575 H576 K597 G598 F599N573-Y595 WeakPolarHBondContact OD1-CE2 3.33Å; G574-Y595 VanDerWaalsContact CA-CE1 3.46Å; G574-Y595 VanDerWaalsContact N-CZ 3.31Å; G574-Y595 WeakPolarHBondContact O-CD1 3.35Å; G574-Y595 VanDerWaalsContact O-CE1 3.3Å; G574-Y595 WeakPolarHBondContact O-CE1 3.36Å; A575-Y595 VanDerWaalsContact C-CB 3.45Å; A575-Y595 WeakPolarHBondContact O-CB 3.4Å; H576-Y595 PolarHBondContact ND1-N 3.05Å; Y595-K597 HydrophobicContact CE1-CB 4.5Å; Y595-G598 PolarHBondContact OH-N 3.42Å; Y595-F599 WeakPolarHBondContact CD2-O 3.21Å; Y595-F599 WeakPolarHBondContact CE2-O 3.26Å
596N90.8Very high95.5Very high98 Ų9880 Ų8052%0.52441%0.414SS..  trans-86.7118.2172.7-81.4-83.5000109.6E594 G598 F599E594-N596 PolarHBondContact O-N 3.12Å; E594-N596 PolarHBondContact O-ND2 3.43Å; N596-G598 PolarHBondContact O-N 3.2Å; N596-F599 HydrophobicContact CB-CB 4.46Å; N596-F599 HydrophobicContact CB-CD2 4.3Å; N596-F599 PolarHBondContact O-N 3.07Å
597K90.4Very high95.5Very high191 Ų19174 Ų7483%0.8339%0.387SS*.THydrogen-bonded Turntrans-53.9112.2-168.2-175.3177.2-179.7174.90113.4Y595Y595-K597 HydrophobicContact CE1-CB 4.5Å
598G87.8Confident95.5Very high64 Ų6474.7 Ų74.766%0.6639%0.391SS*.THydrogen-bonded Turntrans100.3-2-179.900000114.9Y595 N596Y595-G598 PolarHBondContact OH-N 3.42Å; N596-G598 PolarHBondContact O-N 3.2Å
599F91.1Very high95.6Very high143 Ų14372.3 Ų72.363%0.62738%0.379SS*.  trans-116.3128.7177.7-61.1-87.9000110Y595 N596Y595-F599 WeakPolarHBondContact CD2-O 3.21Å; Y595-F599 WeakPolarHBondContact CE2-O 3.26Å; N596-F599 HydrophobicContact CB-CB 4.46Å; N596-F599 HydrophobicContact CB-CD2 4.3Å; N596-F599 PolarHBondContact O-N 3.07Å
600L92.8Very high95.6Very high85 Ų8574.5 Ų74.545%0.44539%0.391SS..  trans-79.4125.2169.7179.770.8000108.1H571 N573 F630 V635H571-L600 HydrophobicContact CB-CD1 4.16Å; N573-L600 HydrophobicContact CB-CD1 3.89Å; L600-F630 HydrophobicContact CD1-CD1 3.83Å; L600-F630 HydrophobicContact CD1-CE1 4.4Å; L600-V635 HydrophobicContact CD2-CG1 4.18Å; L600-V635 HydrophobicContact CD2-CG2 4.43Å
601D95.7Very high95.6Very high69 Ų6969 Ų6937%0.36937%0.367SS..EExtended strand (participates in β ladder)trans-112.4178.5176.5-134.1-43.7000112.3H571 V572H571-D601 WeakPolarHBondContact CA-O 3.27Å; H571-D601 PolarHBondContact ND1-O 3.41Å; V572-D601 HydrophobicContact CB-CB 4.26Å; V572-D601 PolarHBondContact N-O 3.4Å; V572-D601 PolarHBondContact O-N 3.2Å
602Q95.9Very high95.5Very high107 Ų10772.6 Ų72.650%0.539%0.385SS..EExtended strand (participates in β ladder)trans-146.2118.4-178.5-173.9-171.9-6.700112.4S569 I570S569-Q602 PolarHBondContact OG-NE2 3.15Å; I570-Q602 WeakPolarHBondContact O-CA 3.18Å
603M96.9Very high95.5Very high11 Ų1172.6 Ų72.65%0.05439%0.389CS..EExtended strand (participates in β ladder)trans-105.7151.6170.267.3173.4171.500112.1I570 V572 A577 V579 T591 D593I570-M603 HydrophobicContact CB-CE 3.85Å; I570-M603 HydrophobicContact CB-CG 3.96Å; I570-M603 HydrophobicContact CG1-CE 4.41Å; I570-M603 HydrophobicContact CG2-CE 3.5Å; I570-M603 HydrophobicContact CG2-CG 4.4Å; I570-M603 PolarHBondContact N-O 3.07Å; I570-M603 PolarHBondContact O-N 3Å; V572-M603 HydrophobicContact CG2-CE 4.19Å; V572-M603 HydrophobicContact CG2-CG 3.93Å; V572-M603 HydrophobicContact CG2-SD 4.35Å; A577-M603 HydrophobicContact CB-CE 3.42Å; A577-M603 VanDerWaalsContact CB-CE 3.42Å; A577-M603 HydrophobicContact CB-SD 4.25Å; V579-M603 HydrophobicContact CB-CE 4.17Å; V579-M603 HydrophobicContact CG1-CE 3.69Å; V579-M603 HydrophobicContact CG2-CE 3.56Å; V579-M603 HydrophobicContact CG2-SD 4.07Å; T591-M603 HydrophobicContact CG2-CB 3.83Å; T591-M603 HydrophobicContact CG2-CG 4.09Å; T591-M603 HydrophobicContact CG2-SD 3.74Å; D593-M603 HydrophobicContact CB-CB 3.92Å; D593-M603 HydrophobicContact CB-CG 4.24Å; D593-M603 HydrophobicContact CB-SD 3.9Å
604S97.9Very high95.5Very high84 Ų8475.4 Ų75.459%0.58740%0.401SS*.EExtended strand (participates in β ladder)trans-146.3138177.265.70000111.7Y568Y568-S604 WeakPolarHBondContact O-CA 3.5Å; Y568-S604 WeakPolarHBondContact O-CB 3.1Å
605G97.6Very high95.7Very high7 Ų770.7 Ų70.77%0.07238%0.38CS..EExtended strand (participates in β ladder)trans-125.6150.8173.800000111.3S567 Y568S567-G605 WeakPolarHBondContact CA-O 3.47Å; Y568-G605 PolarHBondContact N-O 3.39Å; Y568-G605 PolarHBondContact O-N 3.41Å; Y568-G605 VanDerWaalsContact O-N 3.14Å
606S98.1Very high95.9Very high57 Ų5770.5 Ų70.540%0.39938%0.383SS..EExtended strand (participates in β ladder)trans-152.4137174.370.70000112.8Y565 F566 M589Y565-S606 WeakPolarHBondContact OH-CB 3.36Å; Y565-S606 PolarHBondContact OH-OG 3Å; F566-S606 CarbonylContact O-C 3.55Å; F566-S606 WeakPolarHBondContact O-CA 3.39Å; F566-S606 VanDerWaalsContact O-CB 3.26Å; F566-S606 WeakPolarHBondContact O-CB 3.4Å; M589-S606 WeakPolarHBondContact CE-O 3.38Å
607A98Very high96.3Very high11 Ų1165.8 Ų65.89%0.09136%0.358CS..EExtended strand (participates in β ladder)trans-129.8151.9-176.300000111.6F566 L581 M589 L609F566-A607 PolarHBondContact N-O 2.87Å; F566-A607 PolarHBondContact O-N 2.94Å; L581-A607 HydrophobicContact CD2-CB 3.78Å; M589-A607 HydrophobicContact CE-CB 3.83Å; A607-L609 HydrophobicContact CB-CD2 4.09Å; A607-L609 HydrophobicContact CB-CG 4.25Å
608V98.3Very high96.7Very high68 Ų6857.9 Ų57.941%0.41232%0.323SS..EExtended strand (participates in β ladder)trans-106.2125.9164.2176.60000107.6V563 Y564 Y565 I644V563-V608 HydrophobicContact CG1-CG1 3.44Å; V563-V608 VanDerWaalsContact CG1-CG1 3.44Å; Y564-V608 CarbonylContact O-C 3.28Å; Y564-V608 VanDerWaalsContact O-CA 3.27Å; Y564-V608 WeakPolarHBondContact O-CA 3.27Å; Y565-V608 HydrophobicContact CD2-CG2 3.98Å; V608-I644 HydrophobicContact CG1-CD1 4.14Å; V608-I644 HydrophobicContact CG2-CD1 4.34Å
609L97.9Very high97.2Very high24 Ų2454.9 Ų54.913%0.12629%0.292CS..EExtended strand (participates in β ladder)trans-128.2133.3-173.5-55.6178.3000110.4V563 Y564 F566 L581 I588 A607 L611 V617V563-L609 WeakPolarHBondContact CA-O 3.25Å; Y564-L609 PolarHBondContact N-O 3.04Å; Y564-L609 PolarHBondContact O-N 3Å; F566-L609 HydrophobicContact CD2-CD1 3.75Å; F566-L609 HydrophobicContact CD2-CG 4.22Å; F566-L609 HydrophobicContact CE2-CB 4.49Å; F566-L609 HydrophobicContact CE2-CD1 3.94Å; L581-L609 HydrophobicContact CD2-CD1 4.4Å; I588-L609 HydrophobicContact CD1-CD1 3.51Å; I588-L609 HydrophobicContact CD1-CD2 3.51Å; I588-L609 HydrophobicContact CD1-CG 4.16Å; A607-L609 HydrophobicContact CB-CD2 4.09Å; A607-L609 HydrophobicContact CB-CG 4.25Å; L609-L611 HydrophobicContact CB-CD2 3.94Å; L609-L611 HydrophobicContact CB-CG 4.37Å; L609-L611 HydrophobicContact CD1-CD2 4.41Å; L609-V617 HydrophobicContact CD1-CG1 4.19Å; L609-V617 HydrophobicContact CD1-CG2 4.17Å
610L97.9Very high97.6Very high101 Ų10149.1 Ų49.153%0.52927%0.267SS..EExtended strand (participates in β ladder)trans-78.5124.3159.9-178.864.5000107.9V563 K583 T647V563-L610 HydrophobicContact CG2-CD1 4.17Å; K583-L610 PolarHBondContact NZ-O 3.28Å; L610-T647 HydrophobicContact CD1-CG2 4.04Å
611L98.3Very high97.8Very high0 Ų045 Ų450%025%0.246CC..EExtended strand (participates in β ladder)trans-119.2133.7176.8-57.5-171.9000110.6F556 C558 P561 G562 Y564 F566 K583 L609 D615 V617F556-L611 HydrophobicContact CD1-CD1 4.34Å; F556-L611 HydrophobicContact CE1-CD1 3.8Å; C558-L611 HydrophobicContact CB-CB 4.15Å; C558-L611 HydrophobicContact CB-CD1 4.11Å; P561-L611 CarbonylContact C-O 3.48Å; P561-L611 WeakPolarHBondContact CA-O 3.49Å; G562-L611 PolarHBondContact N-O 2.89Å; G562-L611 PolarHBondContact O-N 3.2Å; Y564-L611 HydrophobicContact CD2-CB 3.91Å; Y564-L611 HydrophobicContact CD2-CD1 3.65Å; Y564-L611 HydrophobicContact CD2-CG 3.8Å; Y564-L611 HydrophobicContact CE2-CB 4.14Å; Y564-L611 HydrophobicContact CE2-CD1 4.06Å; Y564-L611 HydrophobicContact CE2-CG 4.41Å; Y564-L611 HydrophobicContact CG-CD1 3.92Å; Y564-L611 HydrophobicContact CG-CG 4.35Å; F566-L611 HydrophobicContact CE2-CD1 3.85Å; F566-L611 HydrophobicContact CZ-CD1 3.83Å; K583-L611 HydrophobicContact CD-CD2 3.85Å; K583-L611 HydrophobicContact CG-CD2 4.34Å; L609-L611 HydrophobicContact CB-CD2 3.94Å; L609-L611 HydrophobicContact CB-CG 4.37Å; L609-L611 HydrophobicContact CD1-CD2 4.41Å; L611-D615 VanDerWaalsContact CA-OD2 3.24Å; L611-D615 WeakPolarHBondContact CA-OD2 3.39Å; L611-D615 HydrophobicContact CB-CB 4.09Å; L611-D615 HydrophobicContact CD2-CB 4.12Å; L611-V617 HydrophobicContact CD1-CG2 3.84Å; L611-V617 HydrophobicContact CD2-CG2 3.79Å
612D98Very high97.8Very high101 Ų10143.9 Ų43.954%0.5424%0.242SC..  trans-86.4175.6166.4-66.5-67.4000110.2C558 D615C558-D612 VanDerWaalsContact CB-O 3.26Å; C558-D612 WeakPolarHBondContact CB-O 3.41Å; C558-D612 PolarHBondContact SG-O 3.35Å; D612-D615 PolarHBondContact N-OD2 3.34Å; D612-D615 WeakPolarHBondContact O-CB 3.25Å; D612-D615 PolarHBondContact O-N 3.11Å
613E96Very high97.6Very high113 Ų11342.2 Ų42.253%0.52824%0.236SC..THydrogen-bonded Turntrans-66.6140177-152.4-162.3125.400111.3P561 D615P561-E613 HydrophobicContact CG-CB 4.1Å; E613-D615 PolarHBondContact O-N 3.11Å
614Q97.6Very high97.4Very high93 Ų9349.3 Ų49.344%0.43527%0.269SS..THydrogen-bonded Turntrans64.28.8-175.1-44.5-54.6-34.500115.7C558 Q559C558-Q614 WeakPolarHBondContact O-CA 3.11Å; C558-Q614 PolarHBondContact O-N 3.26Å; Q559-Q614 VanDerWaalsContact NE2-OE1 3.12Å
615D98.6Very high97Very high15 Ų1553.6 Ų53.68%0.0828%0.28CS..  trans-59.8137.3166.7-88.3-21.1000111.3C558 K583 N584 L611 D612 E613C558-D615 HydrophobicContact CB-CB 4.07Å; C558-D615 WeakPolarHBondContact CB-O 3.27Å; C558-D615 PolarHBondContact N-O 3.45Å; K583-D615 WeakPolarHBondContact CE-OD2 3.43Å; K583-D615 IonicContact NZ-OD1 3.67Å; K583-D615 IonicContact NZ-OD2 3.78Å; K583-D615 PolarHBondContact NZ-OD2 3.47Å; N584-D615 PolarHBondContact ND2-OD1 3.29Å; N584-D615 WeakPolarHBondContact OD1-CA 3.44Å; N584-D615 PolarHBondContact OD1-OD1 3.23Å; L611-D615 VanDerWaalsContact CA-OD2 3.24Å; L611-D615 WeakPolarHBondContact CA-OD2 3.39Å; L611-D615 HydrophobicContact CB-CB 4.09Å; L611-D615 HydrophobicContact CD2-CB 4.12Å; D612-D615 PolarHBondContact N-OD2 3.34Å; D612-D615 WeakPolarHBondContact O-CB 3.25Å; D612-D615 PolarHBondContact O-N 3.11Å; E613-D615 PolarHBondContact O-N 3.11Å
616T98.8Very high96.8Very high38 Ų3853.8 Ų53.823%0.23328%0.281CS..EExtended strand (participates in β ladder)trans-109.3136.4-178.351.50000111.6I555 F556 T557 K583 N584I555-T616 HydrophobicContact CG2-CG2 3.99Å; F556-T616 CarbonylContact O-C 3.58Å; F556-T616 VanDerWaalsContact O-CA 3.3Å; F556-T616 WeakPolarHBondContact O-CA 3.31Å; T557-T616 HydrophobicContact CG2-CG2 4.38Å; K583-T616 CarbonylContact C-O 3.51Å; K583-T616 VanDerWaalsContact CA-O 3.31Å; K583-T616 WeakPolarHBondContact CA-O 3.45Å; N584-T616 WeakPolarHBondContact CA-OG1 3.33Å; N584-T616 PolarHBondContact N-O 3.48Å; N584-T616 PolarHBondContact OD1-N 3.33Å; N584-T616 PolarHBondContact OD1-OG1 3.03Å
617V98.8Very high96.6Very high0 Ų052.3 Ų52.30%027%0.268CS..EExtended strand (participates in β ladder)trans-134.6132.2177.6-174.80000110.3F556 F566 L581 Y582 L609 L611 F639F556-V617 WeakPolarHBondContact CB-O 3.49Å; F556-V617 HydrophobicContact CD1-CB 4.35Å; F556-V617 PolarHBondContact N-O 3.08Å; F556-V617 PolarHBondContact O-N 3.4Å; F566-V617 HydrophobicContact CD1-CB 4.49Å; F566-V617 HydrophobicContact CD1-CG1 3.84Å; F566-V617 HydrophobicContact CD2-CG1 4.25Å; F566-V617 HydrophobicContact CE1-CB 3.82Å; F566-V617 HydrophobicContact CE1-CG1 3.67Å; F566-V617 HydrophobicContact CE1-CG2 4.35Å; F566-V617 HydrophobicContact CE2-CB 4.33Å; F566-V617 HydrophobicContact CE2-CG1 4.1Å; F566-V617 HydrophobicContact CE2-CG2 4.02Å; F566-V617 HydrophobicContact CG-CG1 4.13Å; F566-V617 HydrophobicContact CZ-CB 3.74Å; F566-V617 HydrophobicContact CZ-CG1 3.82Å; F566-V617 HydrophobicContact CZ-CG2 3.75Å; L581-V617 HydrophobicContact CD1-CG1 3.88Å; L581-V617 HydrophobicContact CG-CG1 4.28Å; Y582-V617 WeakPolarHBondContact O-CA 3.24Å; L609-V617 HydrophobicContact CD1-CG1 4.19Å; L609-V617 HydrophobicContact CD1-CG2 4.17Å; L611-V617 HydrophobicContact CD1-CG2 3.84Å; L611-V617 HydrophobicContact CD2-CG2 3.79Å; V617-F639 HydrophobicContact CG1-CZ 4.34Å
618Y98.8Very high96.5Very high25 Ų2551.8 Ų51.810%0.09826%0.264CS..EExtended strand (participates in β ladder)trans-156.1163.2179.559.5-92.5000111.9P535 I555 Y582 Q620P535-Y618 HydrophobicContact CB-CD2 3.74Å; P535-Y618 HydrophobicContact CB-CE2 4.36Å; P535-Y618 HydrophobicContact CB-CG 4.06Å; P535-Y618 HydrophobicContact CG-CD2 3.71Å; P535-Y618 HydrophobicContact CG-CE2 3.86Å; P535-Y618 HydrophobicContact CG-CG 4.07Å; I555-Y618 HydrophobicContact CG1-CD1 4.13Å; I555-Y618 HydrophobicContact CG1-CG 4.31Å; I555-Y618 HydrophobicContact CG2-CD1 4.35Å; Y582-Y618 VanDerWaalsContact CB-CZ 3.49Å; Y582-Y618 HydrophobicContact CD1-CE2 4.22Å; Y582-Y618 HydrophobicContact CD2-CD2 4.18Å; Y582-Y618 AromaticContact CD2-CE2 3.68Å; Y582-Y618 HydrophobicContact CD2-CE2 3.68Å; Y582-Y618 HydrophobicContact CE2-CE2 4.43Å; Y582-Y618 HydrophobicContact CG-CD2 4.28Å; Y582-Y618 AromaticContact CG-CE2 3.56Å; Y582-Y618 HydrophobicContact CG-CE2 3.56Å; Y582-Y618 AromaticContact CG-CZ 3.75Å; Y582-Y618 PolarHBondContact N-O 3.49Å; Y582-Y618 PolarHBondContact O-N 3.48Å; Y618-Q620 HydrophobicContact CD2-CB 3.96Å; Y618-Q620 HydrophobicContact CE2-CB 3.8Å
619V98.6Very high96.5Very high0 Ų048.5 Ų48.50%024%0.244CC..EExtended strand (participates in β ladder)trans-101136.3169.7-174.10000108.6I536 F538 Y568 V579 A580 L581 F639I536-V619 HydrophobicContact CD1-CB 4.48Å; I536-V619 HydrophobicContact CD1-CG1 3.93Å; I536-V619 PolarHBondContact N-O 3.28Å; F538-V619 HydrophobicContact CE2-CB 4.26Å; Y568-V619 HydrophobicContact CD1-CG2 3.77Å; Y568-V619 HydrophobicContact CE1-CG2 4.37Å; Y568-V619 HydrophobicContact CG-CG2 4.03Å; V579-V619 HydrophobicContact CB-CG1 3.95Å; V579-V619 HydrophobicContact CG1-CG1 4.33Å; A580-V619 WeakPolarHBondContact O-CA 3.4Å; L581-V619 HydrophobicContact CD1-CG2 3.91Å; V619-F639 HydrophobicContact CG2-CD1 4.27Å; V619-F639 HydrophobicContact CG2-CD2 3.7Å; V619-F639 HydrophobicContact CG2-CE1 4.34Å; V619-F639 HydrophobicContact CG2-CE2 3.78Å; V619-F639 HydrophobicContact CG2-CG 3.97Å; V619-F639 HydrophobicContact CG2-CZ 4.11Å
620Q98.3Very high96.4Very high22 Ų2249.3 Ų49.310%0.10325%0.247CC..EExtended strand (participates in β ladder)trans-139.7148.9177.5154.8171.7-17.700110.1G533 T534 A580 Y582 Y618 P622G533-Q620 PolarHBondContact O-NE2 2.86Å; G533-Q620 VanDerWaalsContact O-NE2 3.16Å; T534-Q620 WeakPolarHBondContact O-CB 3.29Å; T534-Q620 WeakPolarHBondContact O-CG 3.47Å; A580-Q620 PolarHBondContact N-O 3.31Å; A580-Q620 PolarHBondContact O-N 3.16Å; Y582-Q620 HydrophobicContact CD2-CB 3.86Å; Y582-Q620 HydrophobicContact CE2-CB 3.56Å; Y582-Q620 HydrophobicContact CE2-CG 3.79Å; Y618-Q620 HydrophobicContact CD2-CB 3.96Å; Y618-Q620 HydrophobicContact CE2-CB 3.8Å; Q620-P622 WeakPolarHBondContact O-CD 3.44Å
621I98.1Very high96.3Very high0 Ų044.6 Ų44.60%022%0.222CC..  trans-83.2116167.6-61.1179000108P530 A532 G533 I536 V579 D623 N627 V629P530-I621 HydrophobicContact CG-CD1 3.92Å; A532-I621 HydrophobicContact CB-CB 4.26Å; A532-I621 HydrophobicContact CB-CG2 3.87Å; G533-I621 PolarHBondContact N-O 3.22Å; I536-I621 HydrophobicContact CD1-CG1 4Å; I536-I621 HydrophobicContact CG1-CG1 4.37Å; V579-I621 HydrophobicContact CG1-CG1 4.19Å; I621-D623 WeakPolarHBondContact CG2-O 3.08Å; I621-N627 HydrophobicContact CD1-CB 4.45Å; I621-N627 WeakPolarHBondContact CD1-OD1 3.49Å; I621-N627 HydrophobicContact CG2-CB 4.39Å; I621-V629 HydrophobicContact CD1-CB 3.83Å; I621-V629 HydrophobicContact CD1-CG2 3.47Å; I621-V629 VanDerWaalsContact CD1-CG2 3.47Å; I621-V629 HydrophobicContact CG1-CG2 3.97Å
622P95.9Very high96Very high44 Ų4446.2 Ų46.229%0.28624%0.236SC..  trans-74.4-25.3-176.7-1833.3000114L578 A580 F590 Q620L578-P622 HydrophobicContact CD2-CB 4.23Å; L578-P622 HydrophobicContact CD2-CG 4.04Å; L578-P622 HydrophobicContact CG-CG 4.13Å; L578-P622 VanDerWaalsContact O-CD 3.23Å; L578-P622 WeakPolarHBondContact O-CD 3.46Å; A580-P622 HydrophobicContact CB-CG 3.86Å; F590-P622 HydrophobicContact CD1-CG 4.3Å; F590-P622 HydrophobicContact CE1-CG 4.06Å; Q620-P622 WeakPolarHBondContact O-CD 3.44Å
623D91.6Very high95.3Very high72 Ų7249.8 Ų49.839%0.38525%0.249SC..  trans-138.4132.7-167.9-170.6-11.7000110.8L578 I621 E625 A626L578-D623 HydrophobicContact CD2-CB 4.33Å; I621-D623 WeakPolarHBondContact CG2-O 3.08Å; D623-E625 PolarHBondContact OD1-N 3.21Å; D623-A626 PolarHBondContact O-N 3.14Å
624E91.5Very high94.9Very high161 Ų16151.2 Ų51.275%0.75226%0.26SS*.SBendtrans-73.2-27.3179.3-166.4173.7-176.800112.1A532 A626 N627A532-E624 HydrophobicContact CB-CB 3.99Å; A532-E624 HydrophobicContact CB-CG 4.41Å; E624-A626 PolarHBondContact O-N 3.27Å; E624-N627 PolarHBondContact O-N 3.45Å
625E91.2Very high94.6Very high174 Ų17448.1 Ų48.181%0.81325%0.248SC*.THydrogen-bonded Turntrans-66.5-22.8176-62.3-168.1-176.200112.3D623D623-E625 PolarHBondContact OD1-N 3.21Å
626A93.2Very high94.2Very high10 Ų1051.7 Ų51.78%0.08326%0.264CS..THydrogen-bonded Turntrans-113.637.9179.400000113H576 A577 L578 D623 E624 G628H576-A626 CarbonylContact O-C 3.54Å; H576-A626 VanDerWaalsContact O-CA 3.23Å; H576-A626 WeakPolarHBondContact O-CA 3.33Å; H576-A626 VanDerWaalsContact O-O 3.11Å; A577-A626 CarbonylContact C-O 3.53Å; A577-A626 VanDerWaalsContact CA-O 3.31Å; A577-A626 WeakPolarHBondContact CA-O 3.36Å; L578-A626 HydrophobicContact CB-CB 3.55Å; L578-A626 PolarHBondContact N-O 3.25Å; D623-A626 PolarHBondContact O-N 3.14Å; E624-A626 PolarHBondContact O-N 3.27Å; A626-G628 VanDerWaalsContact C-N 3.32Å; A626-G628 PolarHBondContact O-N 3.35Å
627N94.4Very high94.1Very high26 Ų2649.9 Ų49.914%0.13925%0.253CS..EExtended strand (participates in β ladder)trans-88.157.6175-166.4-7.3000113Y529 P530 I621 E624 V629Y529-N627 WeakPolarHBondContact CD1-O 3.23Å; P530-N627 PolarHBondContact O-ND2 3.35Å; I621-N627 HydrophobicContact CD1-CB 4.45Å; I621-N627 WeakPolarHBondContact CD1-OD1 3.49Å; I621-N627 HydrophobicContact CG2-CB 4.39Å; E624-N627 PolarHBondContact O-N 3.45Å; N627-V629 PolarHBondContact O-N 3.49Å
628G95.9Very high94.1Very high0 Ų051.3 Ų51.30%026%0.263CS..EExtended strand (participates in β ladder)trans-79.87.5175.600000115.7V572 N573 A575 H576 A626 F630V572-G628 WeakPolarHBondContact CA-O 3.16Å; N573-G628 PolarHBondContact N-O 3.4Å; A575-G628 WeakPolarHBondContact O-CA 3.14Å; H576-G628 WeakPolarHBondContact O-CA 3.46Å; H576-G628 PolarHBondContact O-N 3.29Å; A626-G628 VanDerWaalsContact C-N 3.32Å; A626-G628 PolarHBondContact O-N 3.35Å; G628-F630 PolarHBondContact O-N 3.25Å
629V97.1Very high94.1Very high0 Ų050.1 Ų50.10%026%0.258CS..EExtended strand (participates in β ladder)trans-73.4113.8-169.2173.10000110.9L525 Y529 P530 I570 A577 V579 I621 N627L525-V629 HydrophobicContact CD2-CG1 4.15Å; Y529-V629 WeakPolarHBondContact CA-O 3.5Å; Y529-V629 PolarHBondContact N-O 3.47Å; P530-V629 HydrophobicContact CG-CB 4.32Å; P530-V629 HydrophobicContact CG-CG1 3.9Å; I570-V629 HydrophobicContact CG2-CB 4.26Å; I570-V629 HydrophobicContact CG2-CG1 3.91Å; I570-V629 HydrophobicContact CG2-CG2 3.86Å; A577-V629 HydrophobicContact CB-CG2 4.45Å; V579-V629 HydrophobicContact CG1-CG2 3.83Å; I621-V629 HydrophobicContact CD1-CB 3.83Å; I621-V629 HydrophobicContact CD1-CG2 3.47Å; I621-V629 VanDerWaalsContact CD1-CG2 3.47Å; I621-V629 HydrophobicContact CG1-CG2 3.97Å; N627-V629 PolarHBondContact O-N 3.49Å
630F96.6Very high94.1Very high41 Ų4151.1 Ų51.118%0.1827%0.265CS..EExtended strand (participates in β ladder)trans-119.4126.9-170.4-178.5-97.7000112.8P528 Y529 H571 N573 L600 G628 A632 V635 C637P528-F630 HydrophobicContact CB-CD2 3.87Å; P528-F630 HydrophobicContact CB-CE2 4.25Å; Y529-F630 HydrophobicContact CE2-CD2 4.34Å; Y529-F630 AromaticContact CZ-CD2 4Å; H571-F630 WeakPolarHBondContact CB-O 3.39Å; H571-F630 PolarHBondContact O-N 3.13Å; N573-F630 HydrophobicContact CB-CB 3.53Å; N573-F630 HydrophobicContact CB-CD1 4.07Å; N573-F630 HydrophobicContact CB-CD2 3.93Å; N573-F630 HydrophobicContact CB-CG 3.56Å; L600-F630 HydrophobicContact CD1-CD1 3.83Å; L600-F630 HydrophobicContact CD1-CE1 4.4Å; G628-F630 PolarHBondContact O-N 3.25Å; F630-A632 HydrophobicContact CE1-CB 4.44Å; F630-A632 HydrophobicContact CZ-CB 4.4Å; F630-V635 HydrophobicContact CD1-CG1 4.03Å; F630-V635 HydrophobicContact CE1-CB 4.31Å; F630-V635 HydrophobicContact CE1-CG1 4.2Å; F630-V635 HydrophobicContact CE1-CG2 4.4Å; F630-C637 PolarHBondContact O-SG 3.35Å
631A95Very high94.1Very high1 Ų150.1 Ų50.11%0.00826%0.261CS..  trans-134.7154.5173.900000111.5L525 P528 V635 C637L525-A631 HydrophobicContact CD2-CB 4.22Å; L525-A631 HydrophobicContact CG-CB 4.08Å; L525-A631 VanDerWaalsContact O-CB 3.28Å; L525-A631 WeakPolarHBondContact O-CB 3.38Å; P528-A631 WeakPolarHBondContact CB-O 3.18Å; P528-A631 VanDerWaalsContact CD-O 3.29Å; P528-A631 WeakPolarHBondContact CD-O 3.36Å; A631-V635 CarbonylContact C-O 3.44Å; A631-V635 VanDerWaalsContact CA-O 3.32Å; A631-V635 WeakPolarHBondContact CA-O 3.47Å; A631-C637 HydrophobicContact CB-CB 4.35Å
632A91.1Very high94.1Very high35 Ų3554.7 Ų54.729%0.28928%0.281SS..BIsolated β-bridgetrans-159.3173.4175.800000110.5F630 N634 V635F630-A632 HydrophobicContact CE1-CB 4.44Å; F630-A632 HydrophobicContact CZ-CB 4.4Å; A632-N634 PolarHBondContact O-N 3.05Å; A632-V635 HydrophobicContact CB-CB 4.27Å; A632-V635 PolarHBondContact N-O 3.47Å; A632-V635 CarbonylContact O-C 3.54Å; A632-V635 PolarHBondContact O-N 3.34Å
633E85Confident94.2Very high175 Ų17553.8 Ų53.882%0.81827%0.273SS*.THydrogen-bonded Turntrans-52.2-24.8178.7-62.6-177.1154.900114.9H636E633-H636 PolarHBondContact O-CE1 3.1Å; E633-H636 VanDerWaalsContact O-CE1 3.24Å
634N86.5Confident94.4Very high143 Ų14352.9 Ų52.977%0.76527%0.268SS*.THydrogen-bonded Turntrans-120.710.2179.8-60.6-86.4000113.1A632A632-N634 PolarHBondContact O-N 3.05Å
635V90.9Very high94.5Very high29 Ų2946.1 Ų46.118%0.17624%0.239CC..BIsolated β-bridgetrans-14098.5-177.1-178.40000108.1H571 L600 F630 A631 A632H571-V635 HydrophobicContact CB-CG1 3.76Å; H571-V635 VanDerWaalsContact CD2-CG1 3.44Å; H571-V635 WeakPolarHBondContact CD2-CG1 3.31Å; L600-V635 HydrophobicContact CD2-CG1 4.18Å; L600-V635 HydrophobicContact CD2-CG2 4.43Å; F630-V635 HydrophobicContact CD1-CG1 4.03Å; F630-V635 HydrophobicContact CE1-CB 4.31Å; F630-V635 HydrophobicContact CE1-CG1 4.2Å; F630-V635 HydrophobicContact CE1-CG2 4.4Å; A631-V635 CarbonylContact C-O 3.44Å; A631-V635 VanDerWaalsContact CA-O 3.32Å; A631-V635 WeakPolarHBondContact CA-O 3.47Å; A632-V635 HydrophobicContact CB-CB 4.27Å; A632-V635 PolarHBondContact N-O 3.47Å; A632-V635 CarbonylContact O-C 3.54Å; A632-V635 PolarHBondContact O-N 3.34Å
636H90.2Very high94.5Very high89 Ų8940.4 Ų40.441%0.41222%0.219SC..  trans-100.5116.8-167.3-58-52.5000112.1V524 E633V524-H636 HydrophobicContact CG1-CB 3.78Å; E633-H636 PolarHBondContact O-CE1 3.1Å; E633-H636 VanDerWaalsContact O-CE1 3.24Å
637C97.4Very high93.9Very high0 Ų042.2 Ų42.20%023%0.229CC..EExtended strand (participates in β ladder)trans-80.6132.4159.6-75.10000108.6V524 L525 F538 S569 I570 H571 F630 A631V524-C637 CarbonylContact C-O 3.57Å; V524-C637 VanDerWaalsContact CA-O 3.3Å; V524-C637 WeakPolarHBondContact CA-O 3.43Å; L525-C637 HydrophobicContact CB-CB 4.03Å; L525-C637 HydrophobicContact CD2-CB 4.1Å; L525-C637 PolarHBondContact N-O 3.5Å; F538-C637 HydrophobicContact CE1-CB 4.35Å; S569-C637 CarbonylContact O-C 3.5Å; S569-C637 VanDerWaalsContact O-CA 3.31Å; S569-C637 WeakPolarHBondContact O-CA 3.23Å; I570-C637 HydrophobicContact CD1-CB 3.96Å; H571-C637 PolarHBondContact N-SG 3.15Å; F630-C637 PolarHBondContact O-SG 3.35Å; A631-C637 HydrophobicContact CB-CB 4.35Å
638S98.1Very high93.9Very high30 Ų3043 Ų4321%0.2123%0.233CC..EExtended strand (participates in β ladder)trans-131.8149-175.767.80000113.2A523 Y568 S569A523-S638 CarbonylContact O-C 3.57Å; A523-S638 WeakPolarHBondContact O-CA 3.43Å; Y568-S638 CarbonylContact C-O 3.6Å; Y568-S638 WeakPolarHBondContact CA-O 3.49Å; Y568-S638 WeakPolarHBondContact CB-O 3.31Å; S569-S638 PolarHBondContact N-O 3.35Å; S569-S638 PolarHBondContact O-N 3.13Å
639F98.7Very high93.8Very high0 Ų045.3 Ų45.30%025%0.246CC..EExtended strand (participates in β ladder)trans-133131.3170.5178.5-140.4000109.9F521 T522 A523 F538 Y549 F566 S567 L581 V617 V619F521-F639 AromaticContact CE2-CD1 3.62Å; F521-F639 HydrophobicContact CE2-CD1 3.62Å; F521-F639 AromaticContact CE2-CE1 3.83Å; F521-F639 HydrophobicContact CE2-CE1 3.83Å; F521-F639 AromaticContact CE2-CG 4Å; F521-F639 HydrophobicContact CE2-CG 4Å; F521-F639 HydrophobicContact CE2-CZ 4.39Å; F521-F639 AromaticContact CZ-CD1 3.86Å; F521-F639 HydrophobicContact CZ-CD1 3.86Å; F521-F639 HydrophobicContact CZ-CD2 4.42Å; F521-F639 AromaticContact CZ-CE1 3.59Å; F521-F639 HydrophobicContact CZ-CE1 3.59Å; F521-F639 HydrophobicContact CZ-CE2 4.19Å; F521-F639 HydrophobicContact CZ-CG 4.26Å; F521-F639 AromaticContact CZ-CZ 3.77Å; F521-F639 HydrophobicContact CZ-CZ 3.77Å; T522-F639 WeakPolarHBondContact CA-O 3.18Å; A523-F639 PolarHBondContact N-O 3.44Å; A523-F639 PolarHBondContact O-N 3.12Å; F538-F639 HydrophobicContact CD1-CB 3.94Å; F538-F639 HydrophobicContact CD2-CB 3.7Å; F538-F639 HydrophobicContact CD2-CD1 4.13Å; F538-F639 HydrophobicContact CD2-CG 4.38Å; F538-F639 HydrophobicContact CE1-CB 3.82Å; F538-F639 HydrophobicContact CE2-CB 3.55Å; F538-F639 HydrophobicContact CE2-CD1 4.13Å; F538-F639 HydrophobicContact CE2-CG 4.15Å; F538-F639 HydrophobicContact CG-CB 3.91Å; F538-F639 HydrophobicContact CZ-CB 3.63Å; Y549-F639 AromaticContact CE2-CD1 3.95Å; Y549-F639 HydrophobicContact CE2-CD1 3.95Å; Y549-F639 HydrophobicContact CE2-CE1 4.07Å; F566-F639 HydrophobicContact CB-CE2 4.37Å; F566-F639 AromaticContact CD1-CE2 3.86Å; F566-F639 HydrophobicContact CD1-CE2 3.86Å; F566-F639 AromaticContact CD1-CZ 3.85Å; F566-F639 HydrophobicContact CD1-CZ 3.85Å; F566-F639 HydrophobicContact CE1-CZ 4.35Å; S567-F639 WeakPolarHBondContact O-CD2 3.3Å; L581-F639 HydrophobicContact CD1-CE2 3.83Å; L581-F639 HydrophobicContact CD1-CZ 4.04Å; V617-F639 HydrophobicContact CG1-CZ 4.34Å; V619-F639 HydrophobicContact CG2-CD1 4.27Å; V619-F639 HydrophobicContact CG2-CD2 3.7Å; V619-F639 HydrophobicContact CG2-CE1 4.34Å; V619-F639 HydrophobicContact CG2-CE2 3.78Å; V619-F639 HydrophobicContact CG2-CG 3.97Å; V619-F639 HydrophobicContact CG2-CZ 4.11Å
640S98.8Very high93.6Very high21 Ų2147.8 Ų47.815%0.14726%0.259CS..EExtended strand (participates in β ladder)trans-133149.4-175.4-62.60000110.4F521 T522 F566 S567F521-S640 WeakPolarHBondContact O-CA 3.45Å; T522-S640 WeakPolarHBondContact CB-OG 3.49Å; T522-S640 VanDerWaalsContact CG2-OG 3.31Å; T522-S640 WeakPolarHBondContact CG2-OG 3.32Å; T522-S640 VanDerWaalsContact OG1-CB 3.32Å; T522-S640 WeakPolarHBondContact OG1-CB 3.43Å; T522-S640 PolarHBondContact OG1-OG 3.49Å; F566-S640 WeakPolarHBondContact CA-O 3.18Å; S567-S640 PolarHBondContact N-O 3.38Å; S567-S640 PolarHBondContact O-N 3.38Å
641G98.5Very high93.4Very high1 Ų148.2 Ų48.21%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-156.6146.5167.600000112.2A520 F521 Y565A520-G641 CarbonylContact C-O 3.45Å; A520-G641 VanDerWaalsContact CA-O 3.26Å; A520-G641 WeakPolarHBondContact CA-O 3.4Å; F521-G641 VanDerWaalsContact CE1-CA 3.5Å; F521-G641 PolarHBondContact N-O 3.47Å; F521-G641 PolarHBondContact O-N 2.87Å; F521-G641 VanDerWaalsContact O-N 3.08Å; Y565-G641 CarbonylContact O-C 3.57Å; Y565-G641 WeakPolarHBondContact O-CA 3.3Å
642F98.4Very high93.3Very high97 Ų9751.1 Ų51.143%0.42528%0.28SS..EExtended strand (participates in β ladder)trans-149148176.865.9-94.5000113S519 A520 Y564 Y565 I644S519-F642 WeakPolarHBondContact O-CA 3.07Å; A520-F642 HydrophobicContact CB-CB 3.73Å; Y564-F642 CarbonylContact C-O 3.53Å; Y564-F642 WeakPolarHBondContact CA-O 3.28Å; Y564-F642 VanDerWaalsContact CD1-C 3.44Å; Y564-F642 WeakPolarHBondContact CD1-O 3.34Å; Y565-F642 HydrophobicContact CD1-CD1 4.15Å; Y565-F642 AromaticContact CD1-CE1 3.44Å; Y565-F642 HydrophobicContact CD1-CE1 3.44Å; Y565-F642 VanDerWaalsContact CD1-CE1 3.44Å; Y565-F642 AromaticContact CD1-CZ 3.9Å; Y565-F642 HydrophobicContact CD1-CZ 3.9Å; Y565-F642 HydrophobicContact CE1-CE1 4.28Å; Y565-F642 HydrophobicContact CG-CE1 4.08Å; Y565-F642 HydrophobicContact CG-CZ 4.13Å; Y565-F642 PolarHBondContact N-O 3.08Å; Y565-F642 PolarHBondContact O-N 3.49Å; F642-I644 HydrophobicContact CD2-CG1 4.46Å; F642-I644 HydrophobicContact CE2-CG1 4.12Å; F642-I644 PolarHBondContact O-N 3.22Å
643L97.9Very high93.5Very high25 Ų2552.2 Ų52.213%0.13128%0.279CS..EExtended strand (participates in β ladder)trans-68.8124.1171.8-178.969.4000110.1P517 S519 V560 Y564 A645P517-L643 HydrophobicContact CB-CD2 4.08Å; S519-L643 PolarHBondContact O-N 2.87Å; V560-L643 HydrophobicContact CB-CD2 4.47Å; V560-L643 HydrophobicContact CG1-CD2 3.79Å; Y564-L643 HydrophobicContact CD1-CB 4.21Å; Y564-L643 HydrophobicContact CD2-CD1 3.99Å; Y564-L643 HydrophobicContact CE1-CB 3.76Å; Y564-L643 HydrophobicContact CE1-CD1 4.31Å; Y564-L643 HydrophobicContact CE2-CD1 3.58Å; L643-A645 WeakPolarHBondContact CD1-O 3.45Å
644I96Very high94.1Very high52 Ų5243.4 Ų43.427%0.26724%0.241SC..EExtended strand (participates in β ladder)trans-87.5-45.2173.8-44.9179.1000110.1I12 V563 V608 F642I12-I644 HydrophobicContact CD1-CG2 3.55Å; I12-I644 HydrophobicContact CG1-CG2 3.85Å; I12-I644 HydrophobicContact CG2-CG2 4.41Å; V563-I644 HydrophobicContact CG1-CD1 4.08Å; V563-I644 WeakPolarHBondContact O-CA 3.43Å; V563-I644 WeakPolarHBondContact O-CB 3.46Å; V563-I644 PolarHBondContact O-N 3.41Å; V608-I644 HydrophobicContact CG1-CD1 4.14Å; V608-I644 HydrophobicContact CG2-CD1 4.34Å; F642-I644 HydrophobicContact CD2-CG1 4.46Å; F642-I644 HydrophobicContact CE2-CG1 4.12Å; F642-I644 PolarHBondContact O-N 3.22Å
645A93Very high94.7Very high19 Ų1935.8 Ų35.816%0.15720%0.201CC..EExtended strand (participates in β ladder)trans-154.3128.5178.700000110.2G562 V563 L643G562-A645 CarbonylContact C-O 3.51Å; G562-A645 VanDerWaalsContact CA-O 3.24Å; G562-A645 WeakPolarHBondContact CA-O 3.48Å; V563-A645 PolarHBondContact N-O 3.47Å; V563-A645 PolarHBondContact O-N 3.03Å; L643-A645 WeakPolarHBondContact CD1-O 3.45Å
646S91.3Very high95Very high54 Ų5436.3 Ų36.338%0.37820%0.203SC..EExtended strand (participates in β ladder)trans-70.5144.5169.353.90000111P517 P561P517-S646 WeakPolarHBondContact CG-OG 3.41Å; P561-S646 VanDerWaalsContact O-CA 3.32Å; P561-S646 WeakPolarHBondContact O-CA 3.32Å
647T81.6Confident95.4Very high48 Ų4831.5 Ų31.529%0.29418%0.184SC..  trans-105.80174.350.50000112.4T19 P561 G562 L610T19-T647 WeakPolarHBondContact CB-OXT 3.04Å; T19-T647 WeakPolarHBondContact OG1-CA 3.47Å; T19-T647 PolarHBondContact OG1-OXT 2.76Å; P561-T647 PolarHBondContact O-N 3.2Å; P561-T647 PolarHBondContact O-OG1 3.48Å; G562-T647 PolarHBondContact N-OG1 3.39Å; L610-T647 HydrophobicContact CD1-CG2 4.04Å

Retrieved 647 of 647 residues in 167 ms (Link to these results)