A0A087YAK1_POEFO Loading...

Meteorin, glial cell differentiation regulator

AlphaFold DB , UniProt , Accession A0A087YAK1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 302 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
1M29.6Very low38.4Very low243 Ų243153.3 Ų153.3100%1.19784%0.838SS**  0144.70-82.5-175169.600108
2P44.3Very low38.6Very low135 Ų135158.3 Ų158.388%0.87784%0.835SS**  -85.7166.4-110.226.8-7.5000112.9
3G32Very low39.7Very low72 Ų72156.5 Ų156.574%0.74282%0.824SS**  160.3137.782.800000112.9
4F37.3Very low40.3Very low223 Ų223156.9 Ų156.998%0.97883%0.826SS**  trans-26.3150.4164.6-86.5-109000118.2
5G33.3Very low40.7Very low72 Ų72157.2 Ų157.274%0.74283%0.827SS**  trans152.776.4139.700000118.2
6R39.1Very low41Very low234 Ų234158.3 Ų158.388%0.88383%0.833SS**  trans29139.7141.9-84.7-177.7167.1-168-3.3122.2
7W37.8Very low41.3Very low211 Ų211152.6 Ų152.680%0.79982%0.821SS**  trans98.2107.1136.9-124.1-14000117.5
8N36.7Very low41.8Very low143 Ų143152.3 Ų152.377%0.76582%0.818SS**  -178.4151.9107.5-99.3-26.8000113.2
9N45.7Very low41.8Very low149 Ų149154.7 Ų154.780%0.79782%0.82SS**  trans-62.4135.7179.3-62.9-51.2000112.9
10A42Very low41.8Very low85 Ų85155.2 Ų155.270%0.70282%0.817SS**  trans-160.999.1152.900000107.1
11T44.9Very low41.9Very low119 Ų119151.3 Ų151.373%0.7380%0.803SS**  58.5139.898.548.10000115.4
12W40.7Very low42.5Very low213 Ų213145.2 Ų145.281%0.80778%0.783SS**  trans10082.6163.5-59.193.7000117.4
13I52Low42.1Very low136 Ų136147.2 Ų147.270%0.69778%0.778SS**  28.7112.7112.9-55.6163.6000113.5
14L48.1Very low42.4Very low161 Ų161148.9 Ų148.984%0.84378%0.778SS**  trans-175.7143.3137.2-99.2147.5000109.6
15L47.3Very low42.2Very low162 Ų162143.2 Ų143.285%0.84877%0.767SS**  trans94.352.1169.8-55.4157.6000117.3
16L44.3Very low42.5Very low175 Ų175150.3 Ų150.392%0.91677%0.773SS**  trans-104.478.6135.6-86.7157.3000107I18L16-I18 PolarHBondContact O-N 3.14Å; L16-I18 VanDerWaalsContact O-N 3.14Å
17G46.3Very low42.5Very low62 Ų62143.5 Ų143.564%0.63976%0.76SS**  trans-59.7113.1172.900000109.2F19G17-F19 PolarHBondContact O-N 3.14Å
18I50.8Low42.9Very low147 Ų147141.6 Ų141.675%0.75476%0.76SS**  trans-56.794.3175.1-63.3158000108.3L16 H20L16-I18 PolarHBondContact O-N 3.14Å; L16-I18 VanDerWaalsContact O-N 3.14Å; I18-H20 HydrophobicContact CG2-CB 3.81Å; I18-H20 PolarHBondContact O-N 2.91Å; I18-H20 VanDerWaalsContact O-N 3.14Å
19F42.1Very low43.7Very low198 Ų198139.6 Ų139.687%0.86875%0.75SS**  trans-78.575.1150.4-88.3-87.9000106.7G17 S21G17-F19 PolarHBondContact O-N 3.14Å; F19-S21 PolarHBondContact O-N 2.96Å
20H41Very low45.2Very low163 Ų163137.4 Ų137.476%0.75574%0.735SS**  trans-67.591.7151.3-114.247000104.8I18 C22I18-H20 HydrophobicContact CG2-CB 3.81Å; I18-H20 PolarHBondContact O-N 2.91Å; I18-H20 VanDerWaalsContact O-N 3.14Å; H20-C22 PolarHBondContact O-N 2.81Å
21S45.4Very low47.5Very low74 Ų74135.2 Ų135.252%0.51771%0.714SS.*  trans-54.497.4157.8-55.40000105.7F19 F23F19-S21 PolarHBondContact O-N 2.96Å; S21-F23 WeakPolarHBondContact O-CD2 3.48Å; S21-F23 PolarHBondContact O-N 2.81Å
22C40.5Very low49.8Very low116 Ų116132.2 Ų132.278%0.78470%0.698SS**  trans-58.694.5155-98.10000104.4H20 S24H20-C22 PolarHBondContact O-N 2.81Å; C22-S24 PolarHBondContact O-N 2.8Å
23F37.2Very low52.3Low177 Ų177123.4 Ų123.478%0.77666%0.664SS**  trans-63.786.2155-69.3-82.2000104.9S21 S25S21-F23 WeakPolarHBondContact O-CD2 3.48Å; S21-F23 PolarHBondContact O-N 2.81Å; F23-S25 PolarHBondContact O-N 3.3Å
24S37.2Very low54.4Low106 Ų106125.3 Ų125.374%0.74166%0.663SS**  trans-64.486.6152.456.10000105C22 Y26C22-S24 PolarHBondContact O-N 2.8Å; S24-Y26 PolarHBondContact O-N 2.96Å
25S34.3Very low56.4Low105 Ų105118.5 Ų118.573%0.73463%0.632SS**  trans-62.493.1160.1-65.60000105.1F23 S27F23-S25 PolarHBondContact O-N 3.3Å; S25-S27 PolarHBondContact O-N 2.84Å
26Y38.6Very low58.5Low221 Ų221112.3 Ų112.387%0.86760%0.602SS**  trans-50.4112.5167.7-171.4-102.9000105.6S24 E28S24-Y26 PolarHBondContact O-N 2.96Å; Y26-E28 PolarHBondContact O-N 2.87Å
27S38.8Very low60.6Low90 Ų90104 Ų10463%0.62956%0.558SS**  trans-62.499.2-169.3-175.10000108.2S25 D29S25-S27 PolarHBondContact O-N 2.84Å; S27-D29 PolarHBondContact O-N 3.37Å
28E46.8Very low62.5Low171 Ų171106.5 Ų106.580%0.79956%0.557SS**  trans-65.286.5166.9-169.8176.8-150.400106.4Y26 Q30Y26-E28 PolarHBondContact O-N 2.87Å; E28-Q30 VanDerWaalsContact C-N 3.31Å; E28-Q30 VanDerWaalsContact O-CG 3.24Å; E28-Q30 WeakPolarHBondContact O-CG 3.42Å; E28-Q30 PolarHBondContact O-N 3.24Å
29D54.7Low64Low101 Ų101104.4 Ų104.454%0.5456%0.555SS.*  trans28.862.2141.4-91.7-14000115S27 C31 R73S27-D29 PolarHBondContact O-N 3.37Å; D29-C31 VanDerWaalsContact C-N 3.27Å; D29-C31 PolarHBondContact O-N 2.83Å; D29-R73 VanDerWaalsContact CG-CZ 3.43Å; D29-R73 IonicContact OD1-CZ 3.28Å; D29-R73 IonicContact OD1-NH1 3.6Å; D29-R73 PolarHBondContact OD1-NH1 2.83Å; D29-R73 IonicContact OD1-NH2 2.77Å; D29-R73 PolarHBondContact OD1-NH2 3.41Å; D29-R73 IonicContact OD2-CZ 3.47Å; D29-R73 IonicContact OD2-NH1 2.78Å; D29-R73 PolarHBondContact OD2-NH1 2.97Å; D29-R73 IonicContact OD2-NH2 2.68Å; D29-R73 PolarHBondContact OD2-NH2 3.1Å; D29-R73 VanDerWaalsContact OD2-NH2 3.17Å
30Q76.4Confident65.8Low104 Ų10495.8 Ų95.849%0.48652%0.517SS..  trans-73.982-173.8-64.9-179.116.300109.5E28 L50E28-Q30 VanDerWaalsContact C-N 3.31Å; E28-Q30 VanDerWaalsContact O-CG 3.24Å; E28-Q30 WeakPolarHBondContact O-CG 3.42Å; E28-Q30 PolarHBondContact O-N 3.24Å; Q30-L50 HydrophobicContact CB-CD2 4.25Å; Q30-L50 WeakPolarHBondContact O-CD2 3.39Å
31C89.8Confident67.6Low38 Ų3895.6 Ų95.626%0.25752%0.517SS..SBendtrans-68.7-28.9166.3-62.20000110.8D29 C52 G55 R73 Y158D29-C31 VanDerWaalsContact C-N 3.27Å; D29-C31 PolarHBondContact O-N 2.83Å; C31-C52 WeakPolarHBondContact CA-SG 3.45Å; C31-C52 HydrophobicContact CB-CB 3.57Å; C31-C52 WeakPolarHBondContact CB-SG 3.42Å; C31-C52 WeakPolarHBondContact SG-CB 3.39Å; C31-C52 CovalentContact SG-SG 2.02Å; C31-C52 PolarHBondContact SG-SG 3.35Å; C31-G55 WeakPolarHBondContact O-CA 3.32Å; C31-R73 PolarHBondContact SG-NH2 3.03Å; C31-Y158 VanDerWaalsContact O-CE1 3.26Å; C31-Y158 WeakPolarHBondContact O-CE1 3.07Å; C31-Y158 PolarHBondContact O-OH 2.95Å
32S93.3Very high69Low57 Ų57100 Ų10040%0.39953%0.529SS..SBendtrans-121146.3179.7-70.90000110.9T56S32-T56 CarbonylContact C-O 3.47Å; S32-T56 WeakPolarHBondContact CA-O 3.1Å; S32-T56 VanDerWaalsContact CB-OG1 3.28Å; S32-T56 WeakPolarHBondContact CB-OG1 3.22Å; S32-T56 PolarHBondContact OG-N 2.81Å; S32-T56 PolarHBondContact OG-OG1 2.91Å
33W94.4Very high70.7Confident27 Ų2798.5 Ų98.510%0.10253%0.533CS..EExtended strand (participates in β ladder)trans-124.1139.4172.9-179.594.4000110.4G35 I48 L50 T56 L57 D58 W59 L66W33-G35 VanDerWaalsContact CH2-CA 3.45Å; W33-I48 HydrophobicContact CB-CG2 4.08Å; W33-I48 HydrophobicContact CD2-CD1 3.57Å; W33-I48 HydrophobicContact CD2-CG1 4.4Å; W33-I48 VanDerWaalsContact CE2-CD1 3.41Å; W33-I48 HydrophobicContact CE3-CD1 3.97Å; W33-I48 HydrophobicContact CG-CD1 4.02Å; W33-I48 HydrophobicContact CG-CG1 4.46Å; W33-I48 HydrophobicContact CG-CG2 3.93Å; W33-I48 HydrophobicContact CH2-CD1 3.97Å; W33-I48 HydrophobicContact CZ2-CD1 3.63Å; W33-I48 HydrophobicContact CZ2-CG1 4.42Å; W33-I48 HydrophobicContact CZ3-CD1 4.15Å; W33-L50 HydrophobicContact CB-CD2 4.05Å; W33-T56 PolarHBondContact N-O 3.09Å; W33-L57 HydrophobicContact CE3-CD1 4.39Å; W33-L57 HydrophobicContact CE3-CD2 4.29Å; W33-L57 HydrophobicContact CE3-CG 3.9Å; W33-L57 HydrophobicContact CZ3-CD2 4.32Å; W33-L57 HydrophobicContact CZ3-CG 4.4Å; W33-L57 CarbonylContact O-C 3.41Å; W33-L57 WeakPolarHBondContact O-CA 3.34Å; W33-D58 PolarHBondContact O-N 3.46Å; W33-W59 AromaticContact CH2-CD1 3.8Å; W33-W59 HydrophobicContact CH2-CG 4.35Å; W33-W59 HydrophobicContact CZ3-CB 3.97Å; W33-W59 AromaticContact CZ3-CD1 3.98Å; W33-W59 HydrophobicContact CZ3-CG 4.16Å; W33-L66 HydrophobicContact CH2-CD1 3.73Å; W33-L66 HydrophobicContact CH2-CD2 4.2Å; W33-L66 HydrophobicContact CZ3-CD1 3.74Å
34R94.2Very high72.9Confident176 Ų17691.8 Ų91.866%0.66451%0.508SS*.EExtended strand (participates in β ladder)trans-136.9127.5172.6-179.5171.6178165.6-2.2109.2D58R34-D58 VanDerWaalsContact CA-O 3.32Å; R34-D58 WeakPolarHBondContact CA-O 3.27Å; R34-D58 HydrophobicContact CB-CB 4.14Å; R34-D58 HydrophobicContact CG-CB 3.95Å
35G92Very high75.5Confident18 Ų1890 Ų9019%0.18649%0.493CS..EExtended strand (participates in β ladder)trans-154.7175.7-178.700000112.8W33 D58 L60W33-G35 VanDerWaalsContact CH2-CA 3.45Å; G35-D58 PolarHBondContact N-O 2.72Å; G35-L60 PolarHBondContact O-N 3.09Å
36S91.3Very high78.3Confident33 Ų3388.4 Ų88.423%0.23147%0.473CS..EExtended strand (participates in β ladder)trans-123.6133.1-178.9-177.10000110.9L38 S39 L60S36-L38 PolarHBondContact O-N 2.6Å; S36-L38 PolarHBondContact OG-N 3.2Å; S36-S39 PolarHBondContact O-N 2.73Å; S36-S39 PolarHBondContact O-OG 3.43Å; S36-L60 CarbonylContact C-O 3.5Å; S36-L60 VanDerWaalsContact CA-O 3.23Å; S36-L60 WeakPolarHBondContact CA-O 3.5Å
37G88.6Confident80.9Confident0 Ų084.6 Ų84.60%046%0.464CS..G310 helixtrans-68.8-16172.700000113.2S39 Q40 L60 Y61 K63G37-S39 VanDerWaalsContact C-N 3.27Å; G37-S39 PolarHBondContact O-N 2.77Å; G37-Q40 WeakPolarHBondContact O-CB 3.39Å; G37-Q40 PolarHBondContact O-N 2.96Å; G37-Q40 VanDerWaalsContact O-N 3.11Å; G37-L60 PolarHBondContact N-O 3.28Å; G37-Y61 VanDerWaalsContact CA-O 3.23Å; G37-Y61 WeakPolarHBondContact CA-O 3.36Å; G37-Y61 PolarHBondContact N-O 2.78Å; G37-K63 WeakPolarHBondContact O-CB 3.49Å
38L85.3Confident83.5Confident115 Ų11580.7 Ų80.760%0.60244%0.435SS*.G310 helixtrans-67.5-27.1178.7-61178.6000113.2S36 Q40 Y61S36-L38 PolarHBondContact O-N 2.6Å; S36-L38 PolarHBondContact OG-N 3.2Å; L38-Q40 VanDerWaalsContact C-N 3.31Å; L38-Y61 HydrophobicContact CD1-CD1 4.27Å; L38-Y61 HydrophobicContact CD1-CD2 3.95Å; L38-Y61 HydrophobicContact CD1-CE2 4.49Å; L38-Y61 HydrophobicContact CD1-CG 3.83Å; L38-Y61 HydrophobicContact CG-CD2 4.39Å; L38-Y61 HydrophobicContact CG-CG 4.03Å
39S81.9Confident85.6Confident102 Ų10275.6 Ų75.671%0.71342%0.419SS*.G310 helixtrans-83.3-7.2174.743.20000113.4S36 G37S36-S39 PolarHBondContact O-N 2.73Å; S36-S39 PolarHBondContact O-OG 3.43Å; G37-S39 VanDerWaalsContact C-N 3.27Å; G37-S39 PolarHBondContact O-N 2.77Å
40Q79.7Confident87.4Confident17 Ų1770.8 Ų70.88%0.07939%0.393CS..SBendtrans-83.6136.4-174.1-169.1166.6-5.100111.5G37 L38 S44 K63 A65G37-Q40 WeakPolarHBondContact O-CB 3.39Å; G37-Q40 PolarHBondContact O-N 2.96Å; G37-Q40 VanDerWaalsContact O-N 3.11Å; L38-Q40 VanDerWaalsContact C-N 3.31Å; Q40-S44 WeakPolarHBondContact CG-OG 3.36Å; Q40-S44 PolarHBondContact NE2-O 3.02Å; Q40-K63 PolarHBondContact OE1-O 3.07Å; Q40-A65 PolarHBondContact NE2-O 3.22Å
41Q79.5Confident88.1Confident159 Ų15970.7 Ų70.774%0.74339%0.392SS*.PPolyproline II helixtrans-65.3140174.6-70.5-171.9-38.700110.5G43 S44Q41-G43 PolarHBondContact O-N 2.79Å; Q41-S44 WeakPolarHBondContact O-CB 3.48Å; Q41-S44 PolarHBondContact O-N 2.81Å; Q41-S44 VanDerWaalsContact O-N 3.12Å; Q41-S44 PolarHBondContact O-OG 2.81Å
42Q73.9Confident88Confident168 Ų16869 Ų6979%0.78538%0.381SS*.THydrogen-bonded Turntrans-57.5132.1177.2-82.8177.2-18.500110.9S44Q42-S44 PolarHBondContact O-N 2.89Å
43G77.6Confident87.7Confident83 Ų8369.4 Ų69.486%0.85638%0.384SS*.THydrogen-bonded Turntrans74.81.6179.800000115.3Q41Q41-G43 PolarHBondContact O-N 2.79Å
44S83.6Confident87.5Confident36 Ų3671.2 Ų71.225%0.25239%0.394SS..  trans-83.8152.1175.469.50000112Q40 Q41 Q42Q40-S44 WeakPolarHBondContact CG-OG 3.36Å; Q40-S44 PolarHBondContact NE2-O 3.02Å; Q41-S44 WeakPolarHBondContact O-CB 3.48Å; Q41-S44 PolarHBondContact O-N 2.81Å; Q41-S44 VanDerWaalsContact O-N 3.12Å; Q41-S44 PolarHBondContact O-OG 2.81Å; Q42-S44 PolarHBondContact O-N 2.89Å
45V91.5Very high87.4Confident70 Ų7063.5 Ų63.542%0.42437%0.368SS..EExtended strand (participates in β ladder)trans-111.5116.2167.9-176.40000107.8A65 R67 F140V45-A65 WeakPolarHBondContact CA-O 3.2Å; V45-A65 HydrophobicContact CG1-CB 4.37Å; V45-A65 HydrophobicContact CG2-CB 4.24Å; V45-R67 HydrophobicContact CG1-CB 3.89Å; V45-F140 HydrophobicContact CG1-CE2 3.83Å; V45-F140 HydrophobicContact CG2-CE2 4.35Å
46E92.3Very high87.6Confident70 Ų7064.5 Ų64.533%0.32737%0.371SS..EExtended strand (participates in β ladder)trans-79.9130.1176.8-172.4178.5170.300109.6A65 L66 R67E46-A65 PolarHBondContact N-O 2.68Å; E46-L66 HydrophobicContact CB-CD2 3.71Å; E46-L66 HydrophobicContact CG-CD2 4.45Å; E46-L66 CarbonylContact O-C 3.55Å; E46-L66 WeakPolarHBondContact O-CA 3.36Å; E46-R67 PolarHBondContact O-N 3.4Å
47Q92.6Very high87.8Confident142 Ų14262.9 Ų62.966%0.66436%0.36SS*.EExtended strand (participates in β ladder)trans-97.5123.8179.7-63.8-164.7-8.400110.6R67Q47-R67 WeakPolarHBondContact CA-O 3.09Å
48I93.3Very high88.1Confident7 Ų765.3 Ų65.34%0.03637%0.373CS..EExtended strand (participates in β ladder)trans-120.6132.9-178.6-58.3164000107.8W33 L50 L66 R67 L68 T69W33-I48 HydrophobicContact CB-CG2 4.08Å; W33-I48 HydrophobicContact CD2-CD1 3.57Å; W33-I48 HydrophobicContact CD2-CG1 4.4Å; W33-I48 VanDerWaalsContact CE2-CD1 3.41Å; W33-I48 HydrophobicContact CE3-CD1 3.97Å; W33-I48 HydrophobicContact CG-CD1 4.02Å; W33-I48 HydrophobicContact CG-CG1 4.46Å; W33-I48 HydrophobicContact CG-CG2 3.93Å; W33-I48 HydrophobicContact CH2-CD1 3.97Å; W33-I48 HydrophobicContact CZ2-CD1 3.63Å; W33-I48 HydrophobicContact CZ2-CG1 4.42Å; W33-I48 HydrophobicContact CZ3-CD1 4.15Å; I48-L50 HydrophobicContact CG2-CD2 3.86Å; I48-L50 HydrophobicContact CG2-CG 4.12Å; I48-L66 HydrophobicContact CD1-CB 4.17Å; I48-L66 HydrophobicContact CD1-CD1 3.87Å; I48-L66 HydrophobicContact CD1-CD2 4.19Å; I48-L66 HydrophobicContact CD1-CG 4.31Å; I48-R67 PolarHBondContact N-O 3.27Å; I48-L68 HydrophobicContact CB-CD1 4Å; I48-L68 HydrophobicContact CG2-CD1 3.69Å; I48-L68 CarbonylContact O-C 3.52Å; I48-L68 WeakPolarHBondContact O-CA 3.36Å; I48-T69 PolarHBondContact O-N 2.86Å
49S92.7Very high88.6Confident64 Ų6459.8 Ų59.845%0.44834%0.344SS..EExtended strand (participates in β ladder)trans-126.2114.5177-64.50000110.3H51 T69S49-H51 PolarHBondContact O-ND1 3.12Å; S49-T69 WeakPolarHBondContact CA-O 3.2Å
50L92.5Very high89.2Confident0 Ų056.3 Ų56.30%032%0.317CS..EExtended strand (participates in β ladder)trans-108.3132.8179.3-50.9177.5000109.7Q30 W33 I48 L68 T69 L70 T71 Y158Q30-L50 HydrophobicContact CB-CD2 4.25Å; Q30-L50 WeakPolarHBondContact O-CD2 3.39Å; W33-L50 HydrophobicContact CB-CD2 4.05Å; I48-L50 HydrophobicContact CG2-CD2 3.86Å; I48-L50 HydrophobicContact CG2-CG 4.12Å; L50-L68 HydrophobicContact CD1-CD1 3.64Å; L50-L68 HydrophobicContact CG-CD1 3.67Å; L50-T69 PolarHBondContact N-O 2.97Å; L50-L70 HydrophobicContact CB-CD2 3.96Å; L50-L70 HydrophobicContact CD1-CD2 4.08Å; L50-L70 HydrophobicContact CG-CD2 4.35Å; L50-T71 PolarHBondContact O-N 2.93Å; L50-T71 PolarHBondContact O-OG1 2.86Å; L50-Y158 WeakPolarHBondContact CB-OH 3.34Å; L50-Y158 HydrophobicContact CD1-CD1 4.37Å; L50-Y158 HydrophobicContact CD1-CE1 3.47Å; L50-Y158 VanDerWaalsContact CD1-CE1 3.47Å
51H89.3Confident89.8Confident102 Ų10259.4 Ų59.447%0.47233%0.329SS..  trans-116.258.3-171-59.280.7000109.8S49 T71 R73S49-H51 PolarHBondContact O-ND1 3.12Å; H51-T71 CarbonylContact C-O 3.44Å; H51-T71 VanDerWaalsContact C-O 3.27Å; H51-T71 VanDerWaalsContact CA-O 3.27Å; H51-T71 WeakPolarHBondContact CA-O 3.44Å; H51-T71 PolarHBondContact CD2-OG1 2.79Å; H51-R73 WeakPolarHBondContact O-CD 3.24Å; H51-R73 WeakPolarHBondContact O-CG 3.23Å; H51-R73 PolarHBondContact O-NE 2.79Å
52C88.4Confident90.4Very high3 Ų352.7 Ų52.72%0.0230%0.299CS..SBendtrans-144.2158.7-178.6-61.10000112C31 E54 T71 R73 L160C31-C52 WeakPolarHBondContact CA-SG 3.45Å; C31-C52 HydrophobicContact CB-CB 3.57Å; C31-C52 WeakPolarHBondContact CB-SG 3.42Å; C31-C52 WeakPolarHBondContact SG-CB 3.39Å; C31-C52 CovalentContact SG-SG 2.02Å; C31-C52 PolarHBondContact SG-SG 3.35Å; C52-E54 VanDerWaalsContact C-N 3.32Å; C52-E54 WeakPolarHBondContact CB-O 3.4Å; C52-T71 PolarHBondContact N-O 2.85Å; C52-R73 PolarHBondContact SG-NE 2.83Å; C52-R73 PolarHBondContact SG-NH2 3.4Å; C52-L160 VanDerWaalsContact O-CD1 3.24Å; C52-L160 WeakPolarHBondContact O-CD1 3.31Å
53S86.8Confident91.2Very high66 Ų6648.8 Ų48.846%0.46228%0.279SS..SBendtrans-80.3-14172.755.30000113.3E159 L160S53-E159 CarbonylContact O-C 3.55Å; S53-E159 WeakPolarHBondContact O-CA 2.92Å; S53-L160 PolarHBondContact O-N 2.93Å
54E90.8Very high91.9Very high65 Ų6546.4 Ų46.430%0.30426%0.255SS..EExtended strand (participates in β ladder)trans-154.4151.6175.764.6-169.8-177.400109.6C52 Y158 E159 K229 Y230C52-E54 VanDerWaalsContact C-N 3.32Å; C52-E54 WeakPolarHBondContact CB-O 3.4Å; E54-Y158 VanDerWaalsContact CA-O 3.28Å; E54-Y158 WeakPolarHBondContact CA-O 3.37Å; E54-E159 HydrophobicContact CB-CG 4.05Å; E54-K229 IonicContact OE1-NZ 2.67Å; E54-K229 PolarHBondContact OE1-NZ 2.04Å; E54-K229 IonicContact OE2-NZ 2.8Å; E54-K229 PolarHBondContact OE2-NZ 3.43Å; E54-K229 VanDerWaalsContact OE2-NZ 3.16Å; E54-Y230 PolarHBondContact OE1-OH 3.11Å
55G92.8Very high92.4Very high13 Ų1345 Ų4513%0.13425%0.246CC..EExtended strand (participates in β ladder)trans173.3-168.6178.800000113.6C31 R157 Y158C31-G55 WeakPolarHBondContact O-CA 3.32Å; G55-R157 WeakPolarHBondContact O-CA 3.2Å; G55-Y158 VanDerWaalsContact C-CD1 3.48Å; G55-Y158 VanDerWaalsContact CA-CE1 3.41Å; G55-Y158 PolarHBondContact N-O 3.22Å; G55-Y158 VanDerWaalsContact N-O 3.07Å; G55-Y158 WeakPolarHBondContact O-CD1 3.45Å; G55-Y158 PolarHBondContact O-N 2.94Å
56T95Very high92.6Very high39 Ų3941.7 Ų41.724%0.23923%0.226CC..EExtended strand (participates in β ladder)trans-133.4150.8-175.967.10000112.5S32 W33 F156 R157S32-T56 CarbonylContact C-O 3.47Å; S32-T56 WeakPolarHBondContact CA-O 3.1Å; S32-T56 VanDerWaalsContact CB-OG1 3.28Å; S32-T56 WeakPolarHBondContact CB-OG1 3.22Å; S32-T56 PolarHBondContact OG-N 2.81Å; S32-T56 PolarHBondContact OG-OG1 2.91Å; W33-T56 PolarHBondContact N-O 3.09Å; T56-F156 WeakPolarHBondContact CA-O 3.47Å; T56-R157 HydrophobicContact CG2-CG 3.98Å
57L96.1Very high92.7Very high0 Ų041.4 Ų41.40%022%0.222CC..EExtended strand (participates in β ladder)trans-122.4127167-173.7150.9000108.2W33 W59 L66 L68 L141 S155 F156W33-L57 HydrophobicContact CE3-CD1 4.39Å; W33-L57 HydrophobicContact CE3-CD2 4.29Å; W33-L57 HydrophobicContact CE3-CG 3.9Å; W33-L57 HydrophobicContact CZ3-CD2 4.32Å; W33-L57 HydrophobicContact CZ3-CG 4.4Å; W33-L57 CarbonylContact O-C 3.41Å; W33-L57 WeakPolarHBondContact O-CA 3.34Å; L57-W59 HydrophobicContact CD2-CB 3.94Å; L57-L66 HydrophobicContact CD2-CD1 4.43Å; L57-L68 HydrophobicContact CD1-CD1 4.34Å; L57-L68 HydrophobicContact CD1-CD2 3.76Å; L57-L68 HydrophobicContact CD1-CG 4.44Å; L57-L141 HydrophobicContact CD1-CD1 4.3Å; L57-L141 HydrophobicContact CD2-CD2 4Å; L57-S155 CarbonylContact O-C 3.54Å; L57-S155 WeakPolarHBondContact O-CA 3.48Å; L57-S155 WeakPolarHBondContact O-CB 3.36Å; L57-F156 HydrophobicContact CB-CD1 4.14Å; L57-F156 HydrophobicContact CB-CE1 3.67Å; L57-F156 HydrophobicContact CB-CE2 4.38Å; L57-F156 HydrophobicContact CB-CZ 3.82Å; L57-F156 HydrophobicContact CD1-CE1 3.96Å; L57-F156 HydrophobicContact CD1-CZ 4.01Å; L57-F156 HydrophobicContact CD2-CD1 4.31Å; L57-F156 HydrophobicContact CD2-CE1 3.8Å; L57-F156 HydrophobicContact CG-CE1 4Å; L57-F156 HydrophobicContact CG-CZ 4.34Å; L57-F156 PolarHBondContact N-O 3.17Å; L57-F156 PolarHBondContact O-N 3.36Å
58D95.8Very high92.9Very high50 Ų5034.6 Ų34.627%0.26719%0.19SC..EExtended strand (participates in β ladder)trans-125.498.4178.3-70.2-68.3000110.2W33 R34 G35 S155W33-D58 PolarHBondContact O-N 3.46Å; R34-D58 VanDerWaalsContact CA-O 3.32Å; R34-D58 WeakPolarHBondContact CA-O 3.27Å; R34-D58 HydrophobicContact CB-CB 4.14Å; R34-D58 HydrophobicContact CG-CB 3.95Å; G35-D58 PolarHBondContact N-O 2.72Å; D58-S155 WeakPolarHBondContact OD1-CB 3.46Å
59W94.9Very high92.8Very high0 Ų035.3 Ų35.30%020%0.195CC..EExtended strand (participates in β ladder)trans-103.1107.2179.1-167.625.8000111.5W33 L57 P62 K63 L66 A100 L141 A143 T153 A154W33-W59 AromaticContact CH2-CD1 3.8Å; W33-W59 HydrophobicContact CH2-CG 4.35Å; W33-W59 HydrophobicContact CZ3-CB 3.97Å; W33-W59 AromaticContact CZ3-CD1 3.98Å; W33-W59 HydrophobicContact CZ3-CG 4.16Å; L57-W59 HydrophobicContact CD2-CB 3.94Å; W59-P62 HydrophobicContact CD2-CB 3.83Å; W59-P62 HydrophobicContact CD2-CG 4.09Å; W59-P62 HydrophobicContact CE3-CB 3.66Å; W59-P62 HydrophobicContact CE3-CG 4.04Å; W59-P62 HydrophobicContact CG-CG 4.4Å; W59-P62 HydrophobicContact CH2-CB 4.03Å; W59-P62 HydrophobicContact CZ2-CB 4.2Å; W59-P62 HydrophobicContact CZ3-CB 3.75Å; W59-K63 WeakPolarHBondContact CZ2-O 2.87Å; W59-L66 HydrophobicContact CB-CD1 4.13Å; W59-L66 HydrophobicContact CD2-CD1 3.48Å; W59-L66 VanDerWaalsContact CD2-CD1 3.48Å; W59-L66 HydrophobicContact CD2-CD2 4.48Å; W59-L66 HydrophobicContact CD2-CG 3.9Å; W59-L66 HydrophobicContact CE3-CD1 3.77Å; W59-L66 HydrophobicContact CE3-CG 4.03Å; W59-L66 HydrophobicContact CG-CD1 3.67Å; W59-L66 HydrophobicContact CH2-CG 3.98Å; W59-L66 HydrophobicContact CZ2-CD1 4.33Å; W59-L66 HydrophobicContact CZ2-CD2 3.93Å; W59-L66 HydrophobicContact CZ2-CG 3.82Å; W59-L66 HydrophobicContact CZ3-CD1 4.33Å; W59-L66 HydrophobicContact CZ3-CG 4.08Å; W59-A100 HydrophobicContact CE3-CB 4.31Å; W59-A100 HydrophobicContact CZ3-CB 4.17Å; W59-L141 HydrophobicContact CE3-CB 4.22Å; W59-L141 HydrophobicContact CE3-CD2 4.23Å; W59-L141 HydrophobicContact CZ3-CB 3.94Å; W59-A143 HydrophobicContact CH2-CB 3.88Å; W59-A143 HydrophobicContact CZ3-CB 4.3Å; W59-T153 WeakPolarHBondContact O-CA 3.34Å; W59-A154 HydrophobicContact CB-CB 4.32Å; W59-A154 HydrophobicContact CE3-CB 4.32Å; W59-A154 PolarHBondContact N-O 2.79Å; W59-A154 PolarHBondContact O-N 2.73Å
60L93.8Very high92.7Very high29 Ų2932.4 Ų32.415%0.15217%0.174CC..EExtended strand (participates in β ladder)trans-87.1141.3179.3-59.5170.7000110.2G35 S36 G37 T153G35-L60 PolarHBondContact O-N 3.09Å; S36-L60 CarbonylContact C-O 3.5Å; S36-L60 VanDerWaalsContact CA-O 3.23Å; S36-L60 WeakPolarHBondContact CA-O 3.5Å; G37-L60 PolarHBondContact N-O 3.28Å; L60-T153 HydrophobicContact CD2-CG2 3.91Å
61Y92.2Very high92.4Very high81 Ų8134.6 Ų34.632%0.31819%0.187SC..SBendtrans46.159.6-179.4-55-84.7000112.6G37 L38 K63 R151 R152G37-Y61 VanDerWaalsContact CA-O 3.23Å; G37-Y61 WeakPolarHBondContact CA-O 3.36Å; G37-Y61 PolarHBondContact N-O 2.78Å; L38-Y61 HydrophobicContact CD1-CD1 4.27Å; L38-Y61 HydrophobicContact CD1-CD2 3.95Å; L38-Y61 HydrophobicContact CD1-CE2 4.49Å; L38-Y61 HydrophobicContact CD1-CG 3.83Å; L38-Y61 HydrophobicContact CG-CD2 4.39Å; L38-Y61 HydrophobicContact CG-CG 4.03Å; Y61-K63 PolarHBondContact O-N 2.95Å; Y61-R151 VanDerWaalsContact CE1-CA 3.49Å; Y61-R151 HydrophobicContact CE1-CB 3.82Å; Y61-R151 HydrophobicContact CE1-CG 4.1Å; Y61-R151 HydrophobicContact CE2-CG 4.38Å; Y61-R152 PolarHBondContact N-O 2.92Å
62P93.1Very high92Very high19 Ų1931.5 Ų31.512%0.12318%0.176CC..  trans-50.7130-175.8-28.736.9000112.7W59 G99 A100 A143 A154W59-P62 HydrophobicContact CD2-CB 3.83Å; W59-P62 HydrophobicContact CD2-CG 4.09Å; W59-P62 HydrophobicContact CE3-CB 3.66Å; W59-P62 HydrophobicContact CE3-CG 4.04Å; W59-P62 HydrophobicContact CG-CG 4.4Å; W59-P62 HydrophobicContact CH2-CB 4.03Å; W59-P62 HydrophobicContact CZ2-CB 4.2Å; W59-P62 HydrophobicContact CZ3-CB 3.75Å; P62-G99 WeakPolarHBondContact CB-O 3.24Å; P62-A100 HydrophobicContact CB-CB 4.27Å; P62-A100 HydrophobicContact CG-CB 4.4Å; P62-A143 VanDerWaalsContact C-CB 3.44Å; P62-A143 HydrophobicContact CB-CB 3.78Å; P62-A154 HydrophobicContact CG-CB 3.93Å
63K91.1Very high91.4Very high85 Ų8537.1 Ų37.137%0.3720%0.197SC..  trans-152.7131.4176.7-173.6-180-179.3-178.10109.7G37 Q40 W59 Y61G37-K63 WeakPolarHBondContact O-CB 3.49Å; Q40-K63 PolarHBondContact OE1-O 3.07Å; W59-K63 WeakPolarHBondContact CZ2-O 2.87Å; Y61-K63 PolarHBondContact O-N 2.95Å
64G91.9Very high90.4Very high33 Ų3340.7 Ų40.734%0.3421%0.211SC..SBendtrans78.6-134.4-172.800000111A143G64-A143 WeakPolarHBondContact O-CB 3.01Å; G64-A143 PolarHBondContact O-N 3.02Å
65A94.3Very high88.8Confident8 Ų841.3 Ų41.37%0.06623%0.227CC..EExtended strand (participates in β ladder)trans-149.4156.3179.500000112.9Q40 V45 E46 F140 L141Q40-A65 PolarHBondContact NE2-O 3.22Å; V45-A65 WeakPolarHBondContact CA-O 3.2Å; V45-A65 HydrophobicContact CG1-CB 4.37Å; V45-A65 HydrophobicContact CG2-CB 4.24Å; E46-A65 PolarHBondContact N-O 2.68Å; A65-F140 HydrophobicContact CB-CE1 3.91Å; A65-F140 HydrophobicContact CB-CE2 3.95Å; A65-F140 HydrophobicContact CB-CZ 3.38Å; A65-L141 CarbonylContact C-O 3.54Å; A65-L141 WeakPolarHBondContact CA-O 3.28Å; A65-L141 VanDerWaalsContact CB-O 3.22Å; A65-L141 WeakPolarHBondContact CB-O 3.41Å
66L95.3Very high87Confident0 Ų043 Ų430%024%0.235CC..EExtended strand (participates in β ladder)trans-117.5139.9171.7-48.1177.1000109.5W33 E46 I48 L57 W59 F140 L141W33-L66 HydrophobicContact CH2-CD1 3.73Å; W33-L66 HydrophobicContact CH2-CD2 4.2Å; W33-L66 HydrophobicContact CZ3-CD1 3.74Å; E46-L66 HydrophobicContact CB-CD2 3.71Å; E46-L66 HydrophobicContact CG-CD2 4.45Å; E46-L66 CarbonylContact O-C 3.55Å; E46-L66 WeakPolarHBondContact O-CA 3.36Å; I48-L66 HydrophobicContact CD1-CB 4.17Å; I48-L66 HydrophobicContact CD1-CD1 3.87Å; I48-L66 HydrophobicContact CD1-CD2 4.19Å; I48-L66 HydrophobicContact CD1-CG 4.31Å; L57-L66 HydrophobicContact CD2-CD1 4.43Å; W59-L66 HydrophobicContact CB-CD1 4.13Å; W59-L66 HydrophobicContact CD2-CD1 3.48Å; W59-L66 VanDerWaalsContact CD2-CD1 3.48Å; W59-L66 HydrophobicContact CD2-CD2 4.48Å; W59-L66 HydrophobicContact CD2-CG 3.9Å; W59-L66 HydrophobicContact CE3-CD1 3.77Å; W59-L66 HydrophobicContact CE3-CG 4.03Å; W59-L66 HydrophobicContact CG-CD1 3.67Å; W59-L66 HydrophobicContact CH2-CG 3.98Å; W59-L66 HydrophobicContact CZ2-CD1 4.33Å; W59-L66 HydrophobicContact CZ2-CD2 3.93Å; W59-L66 HydrophobicContact CZ2-CG 3.82Å; W59-L66 HydrophobicContact CZ3-CD1 4.33Å; W59-L66 HydrophobicContact CZ3-CG 4.08Å; L66-F140 WeakPolarHBondContact O-CA 3.44Å; L66-L141 HydrophobicContact CB-CB 4.17Å; L66-L141 PolarHBondContact N-O 3.12Å; L66-L141 PolarHBondContact O-N 2.93Å
67R95Very high84.6Confident63 Ų6347.7 Ų47.724%0.23826%0.263CS..EExtended strand (participates in β ladder)trans-111.7107.2167.1-174.3179-176.2-128.48.8109.2V45 E46 Q47 I48 E105 F140V45-R67 HydrophobicContact CG1-CB 3.89Å; E46-R67 PolarHBondContact O-N 3.4Å; Q47-R67 WeakPolarHBondContact CA-O 3.09Å; I48-R67 PolarHBondContact N-O 3.27Å; R67-E105 IonicContact CZ-OE1 3.19Å; R67-E105 IonicContact CZ-OE2 3.77Å; R67-E105 IonicContact NE-OE1 3.37Å; R67-E105 IonicContact NE-OE2 2.81Å; R67-E105 PolarHBondContact NE-OE2 2.78Å; R67-E105 IonicContact NH2-OE1 3.73Å; R67-E105 PolarHBondContact NH2-OE1 2.86Å; R67-E105 IonicContact NH2-OE2 2.89Å; R67-E105 PolarHBondContact NH2-OE2 3.26Å; R67-F140 HydrophobicContact CB-CD2 4.31Å
68L94.9Very high82.2Confident0 Ų050.6 Ų50.60%029%0.288CS..EExtended strand (participates in β ladder)trans-97.5119.9-177.8174.866.1000110.5I48 L50 L57 L70 A138 L139 F156I48-L68 HydrophobicContact CB-CD1 4Å; I48-L68 HydrophobicContact CG2-CD1 3.69Å; I48-L68 CarbonylContact O-C 3.52Å; I48-L68 WeakPolarHBondContact O-CA 3.36Å; L50-L68 HydrophobicContact CD1-CD1 3.64Å; L50-L68 HydrophobicContact CG-CD1 3.67Å; L57-L68 HydrophobicContact CD1-CD1 4.34Å; L57-L68 HydrophobicContact CD1-CD2 3.76Å; L57-L68 HydrophobicContact CD1-CG 4.44Å; L68-L70 HydrophobicContact CD1-CD2 3.93Å; L68-L70 HydrophobicContact CD2-CD1 4.46Å; L68-L70 HydrophobicContact CD2-CD2 3.82Å; L68-L70 HydrophobicContact CD2-CG 4.17Å; L68-L70 HydrophobicContact CG-CD2 3.81Å; L68-L70 HydrophobicContact CG-CG 4.1Å; L68-A138 CarbonylContact O-C 3.46Å; L68-A138 VanDerWaalsContact O-CA 3.32Å; L68-A138 WeakPolarHBondContact O-CA 3.38Å; L68-L139 HydrophobicContact CB-CB 4.24Å; L68-L139 HydrophobicContact CD2-CB 4.47Å; L68-L139 HydrophobicContact CD2-CD1 4.22Å; L68-L139 PolarHBondContact N-O 2.94Å; L68-L139 PolarHBondContact O-N 2.89Å; L68-F156 HydrophobicContact CD2-CE2 4.21Å; L68-F156 HydrophobicContact CD2-CZ 3.65Å
69T92.8Very high79.6Confident22 Ų2252.5 Ų52.514%0.13531%0.31CS..EExtended strand (participates in β ladder)trans-102.6123.4170.6-56.10000109.5I48 S49 L50 T71I48-T69 PolarHBondContact O-N 2.86Å; S49-T69 WeakPolarHBondContact CA-O 3.2Å; L50-T69 PolarHBondContact N-O 2.97Å; T69-T71 HydrophobicContact CG2-CG2 4.28Å
70L91.1Very high76.9Confident3 Ų357.5 Ų57.52%0.01635%0.351CS..EExtended strand (participates in β ladder)trans-105.8127.5179.1-62-178.7000110L50 L68 L137 L139 Y158 L160L50-L70 HydrophobicContact CB-CD2 3.96Å; L50-L70 HydrophobicContact CD1-CD2 4.08Å; L50-L70 HydrophobicContact CG-CD2 4.35Å; L68-L70 HydrophobicContact CD1-CD2 3.93Å; L68-L70 HydrophobicContact CD2-CD1 4.46Å; L68-L70 HydrophobicContact CD2-CD2 3.82Å; L68-L70 HydrophobicContact CD2-CG 4.17Å; L68-L70 HydrophobicContact CG-CD2 3.81Å; L68-L70 HydrophobicContact CG-CG 4.1Å; L70-L137 HydrophobicContact CB-CB 4.48Å; L70-L137 HydrophobicContact CB-CD2 3.6Å; L70-L137 HydrophobicContact CD1-CD2 3.63Å; L70-L137 HydrophobicContact CG-CD2 4.02Å; L70-L137 PolarHBondContact N-O 3.02Å; L70-L139 HydrophobicContact CD1-CD1 3.95Å; L70-Y158 HydrophobicContact CD1-CD2 3.8Å; L70-Y158 HydrophobicContact CD1-CE2 4.47Å; L70-Y158 HydrophobicContact CD1-CG 3.9Å; L70-Y158 HydrophobicContact CD2-CD1 4.17Å; L70-Y158 HydrophobicContact CD2-CD2 3.89Å; L70-Y158 HydrophobicContact CD2-CE1 4.09Å; L70-Y158 HydrophobicContact CD2-CE2 3.79Å; L70-Y158 HydrophobicContact CD2-CG 4.08Å; L70-Y158 HydrophobicContact CG-CD2 4.42Å; L70-L160 HydrophobicContact CB-CD1 4.08Å; L70-L160 HydrophobicContact CB-CD2 4.06Å; L70-L160 HydrophobicContact CD1-CD2 4.1Å
71T86.3Confident74.5Confident45 Ų4558 Ų5828%0.27636%0.364SS..  trans-131.8132.1178.855.80000110.7L50 H51 C52 T69L50-T71 PolarHBondContact O-N 2.93Å; L50-T71 PolarHBondContact O-OG1 2.86Å; H51-T71 CarbonylContact C-O 3.44Å; H51-T71 VanDerWaalsContact C-O 3.27Å; H51-T71 VanDerWaalsContact CA-O 3.27Å; H51-T71 WeakPolarHBondContact CA-O 3.44Å; H51-T71 PolarHBondContact CD2-OG1 2.79Å; C52-T71 PolarHBondContact N-O 2.85Å; T69-T71 HydrophobicContact CG2-CG2 4.28Å
72P80.1Confident71.8Confident38 Ų3861.4 Ų61.425%0.24740%0.396CS..  trans-73141.817431.3-33.8000109.9L74 I87 L160P72-L74 VanDerWaalsContact C-N 3.3Å; P72-L74 PolarHBondContact O-N 2.89Å; P72-I87 HydrophobicContact CG-CD1 3.87Å; P72-L160 HydrophobicContact CB-CD1 4.26Å
73R75.8Confident69.7Low120 Ų12063.6 Ų63.645%0.45342%0.422SS..SBendtrans-61.3-39.6177.7-70.9-176.8-179-122.110.7113.4D29 C31 H51 C52D29-R73 VanDerWaalsContact CG-CZ 3.43Å; D29-R73 IonicContact OD1-CZ 3.28Å; D29-R73 IonicContact OD1-NH1 3.6Å; D29-R73 PolarHBondContact OD1-NH1 2.83Å; D29-R73 IonicContact OD1-NH2 2.77Å; D29-R73 PolarHBondContact OD1-NH2 3.41Å; D29-R73 IonicContact OD2-CZ 3.47Å; D29-R73 IonicContact OD2-NH1 2.78Å; D29-R73 PolarHBondContact OD2-NH1 2.97Å; D29-R73 IonicContact OD2-NH2 2.68Å; D29-R73 PolarHBondContact OD2-NH2 3.1Å; D29-R73 VanDerWaalsContact OD2-NH2 3.17Å; C31-R73 PolarHBondContact SG-NH2 3.03Å; H51-R73 WeakPolarHBondContact O-CD 3.24Å; H51-R73 WeakPolarHBondContact O-CG 3.23Å; H51-R73 PolarHBondContact O-NE 2.79Å; C52-R73 PolarHBondContact SG-NE 2.83Å; C52-R73 PolarHBondContact SG-NH2 3.4Å
74L65.7Low67.8Low142 Ų14261 Ų6174%0.74342%0.419SS*.SBendtrans-105.6122.3179.6-66.6165.5000106.9P72P72-L74 VanDerWaalsContact C-N 3.3Å; P72-L74 PolarHBondContact O-N 2.89Å
75A57.1Low66.4Low78 Ų7860.1 Ų60.165%0.64541%0.411SS*.  trans-54.7136.1166.100000107.8V77A75-V77 PolarHBondContact O-N 2.92Å
76P54.2Low65.3Low48 Ų4862 Ų6231%0.31242%0.421SS..  trans-58.2108.2-179.920.6-29.7000109.1A78 I87P76-A78 PolarHBondContact O-N 2.96Å; P76-I87 HydrophobicContact CG-CD1 4.16Å; P76-I87 HydrophobicContact CG-CG1 4.12Å
77V46.3Very low64.5Low137 Ų13762.5 Ų62.583%0.8342%0.424SS*.SBendtrans-63.5-2.8179.4-171.90000111.8A75 A79A75-V77 PolarHBondContact O-N 2.92Å; V77-A79 PolarHBondContact O-N 3.3Å
78A44.8Very low64Low62 Ų6259.8 Ų59.851%0.51241%0.414SS..  trans-76.222.517700000114.4P76 A80 G84P76-A78 PolarHBondContact O-N 2.96Å; A78-A80 PolarHBondContact O-N 3.32Å; A78-G84 WeakPolarHBondContact O-CA 3.46Å
79A40.9Very low63.6Low89 Ų8959.8 Ų59.874%0.73641%0.414SS*.THydrogen-bonded Turntrans-68.913.2176.900000114.6V77V77-A79 PolarHBondContact O-N 3.3Å
80A38.5Very low63.5Low105 Ų10559 Ų5987%0.86841%0.409SS*.THydrogen-bonded Turntrans-119.518.7-177.200000113.9A78A78-A80 PolarHBondContact O-N 3.32Å
81G42.3Very low63.6Low41 Ų4158.8 Ų58.842%0.42341%0.408SS..SBendtrans-140.9158.1174.300000112.9G83 G84G81-G83 PolarHBondContact O-N 2.95Å; G81-G83 VanDerWaalsContact O-N 3.09Å; G81-G84 PolarHBondContact O-N 2.02Å
82P36.8Very low63.9Low151 Ų15159 Ų5998%0.98141%0.405SS*.THydrogen-bonded Turntrans-67111.3176.916-9.2000108.8
83G49Very low64.6Low65 Ų6557.4 Ų57.467%0.6740%0.395SS*.THydrogen-bonded Turntrans111.9-1.1-169.500000114.6G81 G85G81-G83 PolarHBondContact O-N 2.95Å; G81-G83 VanDerWaalsContact O-N 3.09Å; G83-G85 PolarHBondContact O-N 3.18Å
84G51.4Low65.3Low31 Ų3152.8 Ų52.832%0.3238%0.381SS..THydrogen-bonded Turntrans-66.891.1178.500000114.4A78 G81A78-G84 WeakPolarHBondContact O-CA 3.46Å; G81-G84 PolarHBondContact O-N 2.02Å
85G61Low66.4Low15 Ų1551.6 Ų51.616%0.15537%0.372CS..THydrogen-bonded Turntrans143.7-6.3171.500000115G83 I87G83-G85 PolarHBondContact O-N 3.18Å; G85-I87 PolarHBondContact O-N 2.89Å
86V72.6Confident67.9Low48 Ų4853.6 Ų53.629%0.29137%0.368SS..  trans-73.2122171.7-177.30000109.3R131V86-R131 WeakPolarHBondContact CA-O 3.2Å
87I78.3Confident69.7Low10 Ų1051.4 Ų51.45%0.05135%0.353CS..EExtended strand (participates in β ladder)trans-106.3125.9174.4-65159.9000107.4P72 P76 G85 S130 R131 L160P72-I87 HydrophobicContact CG-CD1 3.87Å; P76-I87 HydrophobicContact CG-CD1 4.16Å; P76-I87 HydrophobicContact CG-CG1 4.12Å; G85-I87 PolarHBondContact O-N 2.89Å; I87-S130 WeakPolarHBondContact O-CA 3.3Å; I87-R131 PolarHBondContact N-O 2.86Å; I87-R131 PolarHBondContact O-N 2.85Å; I87-L160 HydrophobicContact CG2-CB 4.35Å
88T84.1Confident71.8Confident6 Ų647.7 Ų47.74%0.03733%0.327CS..EExtended strand (participates in β ladder)trans-94.6125.9170.4-56.20000108.4C128 F129 R161T88-C128 HydrophobicContact CG2-CB 4.25Å; T88-F129 WeakPolarHBondContact CA-O 3.31Å; T88-R161 PolarHBondContact N-O 3.34Å; T88-R161 PolarHBondContact O-N 2.83Å
89A87.6Confident74Confident0 Ų044.8 Ų44.80%030%0.303CS..EExtended strand (participates in β ladder)trans-105.2141.5166.600000109.8C128 F129 L137 E159 L160A89-C128 CarbonylContact O-C 3.48Å; A89-C128 VanDerWaalsContact O-CA 3.24Å; A89-C128 WeakPolarHBondContact O-CA 3.17Å; A89-F129 HydrophobicContact CB-CD2 4.22Å; A89-F129 HydrophobicContact CB-CE1 4.35Å; A89-F129 HydrophobicContact CB-CE2 3.63Å; A89-F129 HydrophobicContact CB-CZ 3.68Å; A89-F129 PolarHBondContact N-O 2.81Å; A89-F129 PolarHBondContact O-N 2.85Å; A89-L137 HydrophobicContact CB-CD1 3.41Å; A89-L137 VanDerWaalsContact CB-CD1 3.41Å; A89-L137 HydrophobicContact CB-CD2 3.58Å; A89-L137 HydrophobicContact CB-CG 4.08Å; A89-E159 CarbonylContact C-O 3.52Å; A89-E159 VanDerWaalsContact CA-O 3.29Å; A89-E159 WeakPolarHBondContact CA-O 3.42Å; A89-L160 HydrophobicContact CB-CD2 3.46Å; A89-L160 VanDerWaalsContact CB-CD2 3.46Å
90C90.5Very high76.6Confident4 Ų440.6 Ų40.63%0.02727%0.268CS..EExtended strand (participates in β ladder)trans-123.7146.7171-60.50000109.6V126 R127 C128 Y158 E159 F268C90-V126 HydrophobicContact CB-CG1 4.01Å; C90-R127 CarbonylContact C-O 3.59Å; C90-R127 WeakPolarHBondContact CA-O 3.22Å; C90-C128 HydrophobicContact CB-CB 4.13Å; C90-C128 WeakPolarHBondContact CB-SG 3.46Å; C90-C128 WeakPolarHBondContact SG-CB 3.48Å; C90-C128 CovalentContact SG-SG 2.04Å; C90-C128 PolarHBondContact SG-SG 3.41Å; C90-Y158 CarbonylContact O-C 3.52Å; C90-Y158 VanDerWaalsContact O-CA 3.3Å; C90-Y158 WeakPolarHBondContact O-CA 3.44Å; C90-E159 PolarHBondContact N-O 2.04Å; C90-E159 PolarHBondContact O-N 2.86Å; C90-F268 HydrophobicContact CB-CE2 3.86Å; C90-F268 HydrophobicContact CB-CZ 4.03Å
91V92.8Very high79.3Confident0 Ų038.2 Ų38.20%024%0.239CC..EExtended strand (participates in β ladder)trans-124133.1172.5-64.30000109.8L102 L113 V126 R127 F129 L139 F156 R157V91-L102 HydrophobicContact CB-CD2 4.37Å; V91-L102 HydrophobicContact CG2-CD2 3.92Å; V91-L113 HydrophobicContact CG2-CD1 4.4Å; V91-V126 WeakPolarHBondContact O-CA 3.24Å; V91-R127 HydrophobicContact CG2-CB 3.91Å; V91-R127 PolarHBondContact N-O 3.37Å; V91-R127 PolarHBondContact O-N 3.49Å; V91-F129 HydrophobicContact CG1-CE1 4.41Å; V91-L139 HydrophobicContact CG1-CD1 3.81Å; V91-F156 HydrophobicContact CB-CD2 4.06Å; V91-F156 HydrophobicContact CG1-CD2 3.94Å; V91-F156 HydrophobicContact CG1-CE2 3.91Å; V91-R157 CarbonylContact C-O 3.58Å; V91-R157 VanDerWaalsContact CA-O 3.31Å; V91-R157 WeakPolarHBondContact CA-O 3.29Å
92K92.5Very high81.8Confident49 Ų4936.3 Ų36.321%0.21322%0.219CC..EExtended strand (participates in β ladder)trans-115.8103.1173.1-173.4173.2-177.1172.50108.4V126 F156 R157 F268 E270K92-V126 HydrophobicContact CB-CG2 4Å; K92-V126 HydrophobicContact CD-CG2 4.06Å; K92-V126 HydrophobicContact CG-CG2 3.91Å; K92-F156 WeakPolarHBondContact O-CA 3.11Å; K92-F156 WeakPolarHBondContact O-CB 3.08Å; K92-R157 PolarHBondContact N-O 3.49Å; K92-R157 PolarHBondContact O-N 2.96Å; K92-F268 HydrophobicContact CB-CD1 3.73Å; K92-F268 HydrophobicContact CB-CD2 3.75Å; K92-F268 HydrophobicContact CB-CE1 3.73Å; K92-F268 HydrophobicContact CB-CE2 3.72Å; K92-F268 HydrophobicContact CB-CG 3.75Å; K92-F268 HydrophobicContact CB-CZ 3.71Å; K92-F268 HydrophobicContact CD-CB 3.59Å; K92-F268 HydrophobicContact CD-CD1 4.28Å; K92-F268 HydrophobicContact CD-CD2 4Å; K92-F268 HydrophobicContact CD-CG 3.7Å; K92-F268 HydrophobicContact CG-CD2 4.44Å; K92-F268 HydrophobicContact CG-CG 4.36Å; K92-E270 IonicContact NZ-OE1 2.64Å; K92-E270 PolarHBondContact NZ-OE1 3.22Å
93P93.6Very high84.6Confident5 Ų530.8 Ų30.83%0.03218%0.179CC..EExtended strand (participates in β ladder)trans-63.9149.8174.1-15.129.5000110.3F97 V114 P124P93-F97 HydrophobicContact CB-CB 3.96Å; P93-F97 HydrophobicContact CB-CD2 4.28Å; P93-F97 HydrophobicContact CB-CG 4.08Å; P93-V114 HydrophobicContact CB-CG1 4.32Å; P93-V114 HydrophobicContact CG-CB 4.39Å; P93-V114 HydrophobicContact CG-CG1 3.86Å; P93-V114 HydrophobicContact CG-CG2 3.62Å; P93-P124 HydrophobicContact CB-CB 3.61Å; P93-P124 HydrophobicContact CB-CG 4.13Å; P93-P124 HydrophobicContact CG-CB 3.82Å
94S92.1Very high86.7Confident23 Ų2328 Ų2816%0.16115%0.149CC..  trans-70.6156.3170.371.70000110.5Q96 F97 P124 S155S94-Q96 PolarHBondContact O-N 3.36Å; S94-Q96 VanDerWaalsContact O-N 3.12Å; S94-Q96 PolarHBondContact OG-N 2.67Å; S94-Q96 PolarHBondContact OG-OE1 3.31Å; S94-F97 VanDerWaalsContact O-CB 3.26Å; S94-F97 WeakPolarHBondContact O-CB 3.16Å; S94-F97 PolarHBondContact O-N 3.17Å; S94-F97 PolarHBondContact OG-N 3.25Å; S94-F97 VanDerWaalsContact OG-N 3.14Å; S94-P124 WeakPolarHBondContact O-CG 3.25Å; S94-S155 WeakPolarHBondContact CB-O 3.16Å; S94-S155 VanDerWaalsContact CB-OG 3.29Å; S94-S155 WeakPolarHBondContact CB-OG 3.29Å; S94-S155 PolarHBondContact N-O 3.09Å; S94-S155 PolarHBondContact OG-O 2.9Å; S94-S155 PolarHBondContact OG-OG 3.31Å
95E88.4Confident88.7Confident117 Ų11728.8 Ų28.855%0.54714%0.144SC..THydrogen-bonded Turntrans-56.9-26.6172.5-63.4-61.2151.700111.9P124E95-P124 VanDerWaalsContact OE2-CD 3.23Å; E95-P124 WeakPolarHBondContact OE2-CD 3.08Å
96Q87.4Confident89.9Confident119 Ų11931.9 Ų31.956%0.55615%0.151SC*.THydrogen-bonded Turntrans-96.715.1-179.5-39.479.324.900112.3S94 H98S94-Q96 PolarHBondContact O-N 3.36Å; S94-Q96 VanDerWaalsContact O-N 3.12Å; S94-Q96 PolarHBondContact OG-N 2.67Å; S94-Q96 PolarHBondContact OG-OE1 3.31Å; Q96-H98 PolarHBondContact O-CE1 2.8Å; Q96-H98 PolarHBondContact O-N 3.47Å; Q96-H98 VanDerWaalsContact O-N 3.13Å; Q96-H98 PolarHBondContact O-ND1 2.77Å
97F91.8Very high90.5Very high2 Ų236 Ų361%0.00917%0.172CC..  trans-67.3111.6177.7-178.5-83.2000110P93 S94 A100 L102 V114 A154 S155 F156P93-F97 HydrophobicContact CB-CB 3.96Å; P93-F97 HydrophobicContact CB-CD2 4.28Å; P93-F97 HydrophobicContact CB-CG 4.08Å; S94-F97 VanDerWaalsContact O-CB 3.26Å; S94-F97 WeakPolarHBondContact O-CB 3.16Å; S94-F97 PolarHBondContact O-N 3.17Å; S94-F97 PolarHBondContact OG-N 3.25Å; S94-F97 VanDerWaalsContact OG-N 3.14Å; F97-A100 WeakPolarHBondContact CE1-O 3.37Å; F97-A100 HydrophobicContact CZ-CB 4.41Å; F97-L102 HydrophobicContact CZ-CB 4.38Å; F97-V114 HydrophobicContact CD1-CG1 3.97Å; F97-V114 HydrophobicContact CE1-CB 4.46Å; F97-V114 HydrophobicContact CE1-CG1 3.84Å; F97-V114 HydrophobicContact CZ-CG1 4.49Å; F97-A154 HydrophobicContact CD2-CB 4.15Å; F97-A154 HydrophobicContact CE2-CB 3.72Å; F97-A154 HydrophobicContact CZ-CB 4.16Å; F97-S155 WeakPolarHBondContact CD2-O 3.28Å; F97-F156 HydrophobicContact CE2-CD1 4.42Å
98H91Very high90.7Very high59 Ų5938.9 Ų38.927%0.27320%0.204SC..  trans-157.5161.7175.965-71000112.3Q96 A100 R152 T153Q96-H98 PolarHBondContact O-CE1 2.8Å; Q96-H98 PolarHBondContact O-N 3.47Å; Q96-H98 VanDerWaalsContact O-N 3.13Å; Q96-H98 PolarHBondContact O-ND1 2.77Å; H98-A100 VanDerWaalsContact C-N 3.35Å; H98-R152 WeakPolarHBondContact NE2-CA 3.09Å; H98-T153 PolarHBondContact N-O 2.74Å; H98-T153 VanDerWaalsContact N-O 3.12Å; H98-T153 CarbonylContact O-C 3.48Å
99G91.6Very high91Very high2 Ų244.8 Ų44.82%0.02124%0.235CC..SBendtrans82.98.7-178.600000114.2P62 D116 T144P62-G99 WeakPolarHBondContact CB-O 3.24Å; G99-D116 PolarHBondContact N-OD1 2.95Å; G99-T144 PolarHBondContact O-N 3.09Å
100A94.3Very high91.3Very high0 Ų048.7 Ų48.70%026%0.255CS..EExtended strand (participates in β ladder)trans-152.7163.7174.300000111.9W59 P62 F97 H98 D116 Q142 A154W59-A100 HydrophobicContact CE3-CB 4.31Å; W59-A100 HydrophobicContact CZ3-CB 4.17Å; P62-A100 HydrophobicContact CB-CB 4.27Å; P62-A100 HydrophobicContact CG-CB 4.4Å; F97-A100 WeakPolarHBondContact CE1-O 3.37Å; F97-A100 HydrophobicContact CZ-CB 4.41Å; H98-A100 VanDerWaalsContact C-N 3.35Å; A100-D116 WeakPolarHBondContact O-CA 3.23Å; A100-Q142 CarbonylContact C-O 3.45Å; A100-Q142 WeakPolarHBondContact CA-O 3.38Å; A100-Q142 WeakPolarHBondContact CB-O 3.48Å; A100-A154 HydrophobicContact CB-CB 3.56Å
101Q95.2Very high91.4Very high56 Ų5653.9 Ų53.926%0.26228%0.279SS..EExtended strand (participates in β ladder)trans-116.6140.9171.8-67.5170.3-38.100109Y103 L112 V114 D116 L141 Q142Q101-Y103 HydrophobicContact CB-CD2 4.35Å; Q101-Y103 HydrophobicContact CB-CE2 3.45Å; Q101-Y103 VanDerWaalsContact CB-CE2 3.45Å; Q101-Y103 PolarHBondContact OE1-OH 2.84Å; Q101-L112 HydrophobicContact CB-CD1 4.13Å; Q101-V114 WeakPolarHBondContact CA-O 3.14Å; Q101-D116 HydrophobicContact CG-CB 4.06Å; Q101-L141 WeakPolarHBondContact O-CA 3.3Å; Q101-Q142 PolarHBondContact N-O 3.48Å; Q101-Q142 PolarHBondContact O-N 2.86Å
102L95.6Very high91.4Very high0 Ų058.1 Ų58.10%030%0.301CS..EExtended strand (participates in β ladder)trans-110.4127.9178.3-179.267.5000110.1V91 F97 L113 V114 L139 L141 F156V91-L102 HydrophobicContact CB-CD2 4.37Å; V91-L102 HydrophobicContact CG2-CD2 3.92Å; F97-L102 HydrophobicContact CZ-CB 4.38Å; L102-L113 HydrophobicContact CG-CB 4.5Å; L102-L113 PolarHBondContact O-N 2.79Å; L102-V114 HydrophobicContact CB-CB 3.93Å; L102-V114 HydrophobicContact CB-CG2 4.22Å; L102-V114 HydrophobicContact CD2-CG2 3.94Å; L102-V114 PolarHBondContact N-O 2.83Å; L102-V114 PolarHBondContact O-N 2.75Å; L102-V114 VanDerWaalsContact O-N 3.1Å; L102-L139 HydrophobicContact CD1-CB 4.05Å; L102-L139 HydrophobicContact CD1-CD1 4.37Å; L102-L139 HydrophobicContact CD1-CD2 4.48Å; L102-L141 HydrophobicContact CD1-CD1 3.57Å; L102-L141 HydrophobicContact CD1-CD2 4.37Å; L102-L141 HydrophobicContact CD1-CG 3.63Å; L102-F156 HydrophobicContact CD1-CE1 4.23Å; L102-F156 HydrophobicContact CD1-CZ 4.29Å
103Y95.5Very high91.3Very high35 Ų3556.9 Ų56.914%0.13730%0.296CS..EExtended strand (participates in β ladder)trans-122.3147.9-179.5-57.7-96.4000111.5Q101 L110 E111 L112 L139 F140 Q142Q101-Y103 HydrophobicContact CB-CD2 4.35Å; Q101-Y103 HydrophobicContact CB-CE2 3.45Å; Q101-Y103 VanDerWaalsContact CB-CE2 3.45Å; Q101-Y103 PolarHBondContact OE1-OH 2.84Å; Y103-L110 HydrophobicContact CD1-CB 4.04Å; Y103-L110 HydrophobicContact CG-CB 4.22Å; Y103-E111 CarbonylContact C-O 3.27Å; Y103-E111 WeakPolarHBondContact CA-O 3.4Å; Y103-L112 HydrophobicContact CD1-CB 3.98Å; Y103-L112 HydrophobicContact CD1-CD1 3.98Å; Y103-L112 HydrophobicContact CE1-CB 3.86Å; Y103-L112 HydrophobicContact CE1-CD1 3.54Å; Y103-L112 HydrophobicContact CE1-CG 4.29Å; Y103-L112 HydrophobicContact CE2-CD1 4.28Å; Y103-L139 CarbonylContact O-C 3.52Å; Y103-L139 VanDerWaalsContact O-CA 3.29Å; Y103-L139 WeakPolarHBondContact O-CA 3.32Å; Y103-L139 WeakPolarHBondContact O-CD2 3.4Å; Y103-F140 HydrophobicContact CD2-CD1 4.3Å; Y103-F140 PolarHBondContact N-O 2.89Å; Y103-F140 PolarHBondContact O-N 2.83Å; Y103-Q142 HydrophobicContact CE2-CB 4.11Å
104L93.9Very high91.2Very high7 Ų757.2 Ų57.24%0.03730%0.299CS..EExtended strand (participates in β ladder)trans-87.2124.9164.5177.860.2000109.2L110 E111 L113 F129 L139L104-L110 WeakPolarHBondContact O-CA 3.36Å; L104-E111 HydrophobicContact CB-CB 4.34Å; L104-E111 PolarHBondContact N-O 2.84Å; L104-E111 PolarHBondContact O-N 2.83Å; L104-L113 HydrophobicContact CB-CD1 3.93Å; L104-L113 HydrophobicContact CB-CD2 4.05Å; L104-L113 HydrophobicContact CB-CG 3.92Å; L104-F129 HydrophobicContact CD1-CD2 3.51Å; L104-F129 HydrophobicContact CD1-CE2 3.43Å; L104-F129 VanDerWaalsContact CD1-CE2 3.43Å; L104-F129 HydrophobicContact CD1-CG 4.13Å; L104-F129 HydrophobicContact CD1-CZ 4.03Å; L104-F129 HydrophobicContact CD2-CB 3.89Å; L104-F129 HydrophobicContact CD2-CD2 3.93Å; L104-F129 HydrophobicContact CD2-CG 3.87Å; L104-F129 HydrophobicContact CG-CD2 4.37Å; L104-L139 HydrophobicContact CD1-CD2 4.22Å
105E92.1Very high91.1Very high48 Ų4857.4 Ų57.422%0.22430%0.304CS..EExtended strand (participates in β ladder)trans-88.5115171.5-174.6-171.2157.100109.3R67 L109 L110 A138R67-E105 IonicContact CZ-OE1 3.19Å; R67-E105 IonicContact CZ-OE2 3.77Å; R67-E105 IonicContact NE-OE1 3.37Å; R67-E105 IonicContact NE-OE2 2.81Å; R67-E105 PolarHBondContact NE-OE2 2.78Å; R67-E105 IonicContact NH2-OE1 3.73Å; R67-E105 PolarHBondContact NH2-OE1 2.86Å; R67-E105 IonicContact NH2-OE2 2.89Å; R67-E105 PolarHBondContact NH2-OE2 3.26Å; E105-L109 WeakPolarHBondContact CA-O 3.26Å; E105-L110 HydrophobicContact CB-CD2 3.94Å; E105-L110 HydrophobicContact CG-CD2 4.2Å; E105-A138 HydrophobicContact CB-CB 3.92Å; E105-A138 HydrophobicContact CG-CB 4.42Å; E105-A138 PolarHBondContact N-O 3.2Å; E105-A138 WeakPolarHBondContact OE2-CB 3.43Å
106R87.4Confident91Very high80 Ų8054.4 Ų54.430%0.30229%0.292SS..EExtended strand (participates in β ladder)trans-139.6125.2178.2-176.9-175.6-67.6-105.60109.6G108 L109 S130 E135R106-G108 PolarHBondContact O-N 2.86Å; R106-G108 VanDerWaalsContact O-N 3.1Å; R106-L109 PolarHBondContact N-O 2.85Å; R106-L109 WeakPolarHBondContact O-CA 3.4Å; R106-L109 WeakPolarHBondContact O-CB 3.07Å; R106-L109 PolarHBondContact O-N 2.8Å; R106-S130 PolarHBondContact NH2-O 2.85Å; R106-E135 IonicContact NH1-OE2 3.8Å
107D84.1Confident90.5Very high134 Ų13450.9 Ų50.972%0.71727%0.273SS*.THydrogen-bonded Turntrans51.834.3178.3-55.2-42000114.2L109D107-L109 PolarHBondContact O-N 3.1Å
108G84.1Confident89.6Confident70 Ų7058.1 Ų58.172%0.72231%0.309SS*.THydrogen-bonded Turntrans77.61.4-176.900000114.9R106R106-G108 PolarHBondContact O-N 2.86Å; R106-G108 VanDerWaalsContact O-N 3.1Å
109L90.3Very high88.5Confident131 Ų13165.2 Ų65.269%0.68634%0.342SS*.EExtended strand (participates in β ladder)trans-98.1149.7173.5-59.9174.3000110.9E105 R106 D107E105-L109 WeakPolarHBondContact CA-O 3.26Å; R106-L109 PolarHBondContact N-O 2.85Å; R106-L109 WeakPolarHBondContact O-CA 3.4Å; R106-L109 WeakPolarHBondContact O-CB 3.07Å; R106-L109 PolarHBondContact O-N 2.8Å; D107-L109 PolarHBondContact O-N 3.1Å
110L93.3Very high87.5Confident81 Ų8170.1 Ų70.142%0.42438%0.382SS..EExtended strand (participates in β ladder)trans-108.3109.9175-65-178.9000109.8Y103 L104 E105 F140Y103-L110 HydrophobicContact CD1-CB 4.04Å; Y103-L110 HydrophobicContact CG-CB 4.22Å; L104-L110 WeakPolarHBondContact O-CA 3.36Å; E105-L110 HydrophobicContact CB-CD2 3.94Å; E105-L110 HydrophobicContact CG-CD2 4.2Å; L110-F140 HydrophobicContact CD1-CB 4.49Å; L110-F140 HydrophobicContact CD1-CD1 3.82Å; L110-F140 HydrophobicContact CD1-CE1 4.25Å; L110-F140 HydrophobicContact CD1-CG 4.2Å; L110-F140 HydrophobicContact CD2-CB 3.75Å; L110-F140 HydrophobicContact CD2-CG 4.23Å
111E92.8Very high86.6Confident113 Ų11372 Ų7253%0.52840%0.396SS..EExtended strand (participates in β ladder)trans-95.6124.4175.8-178-172.5169.800109.9Y103 L104 L113Y103-E111 CarbonylContact C-O 3.27Å; Y103-E111 WeakPolarHBondContact CA-O 3.4Å; L104-E111 HydrophobicContact CB-CB 4.34Å; L104-E111 PolarHBondContact N-O 2.84Å; L104-E111 PolarHBondContact O-N 2.83Å; E111-L113 PolarHBondContact O-N 2.94Å
112L92.4Very high85.5Confident90 Ų9074.4 Ų74.447%0.47142%0.416SS..EExtended strand (participates in β ladder)trans-69.4117.9-178.2-178.169.6000111.3Q101 Y103 V114Q101-L112 HydrophobicContact CB-CD1 4.13Å; Y103-L112 HydrophobicContact CD1-CB 3.98Å; Y103-L112 HydrophobicContact CD1-CD1 3.98Å; Y103-L112 HydrophobicContact CE1-CB 3.86Å; Y103-L112 HydrophobicContact CE1-CD1 3.54Å; Y103-L112 HydrophobicContact CE1-CG 4.29Å; Y103-L112 HydrophobicContact CE2-CD1 4.28Å; L112-V114 WeakPolarHBondContact CD1-O 3.32Å
113L90.8Very high84.4Confident22 Ų2277.8 Ų77.812%0.11544%0.438CS..EExtended strand (participates in β ladder)trans-93.5-44.2174.4-64-178.4000112.2V91 L102 L104 E111 F129 L139V91-L113 HydrophobicContact CG2-CD1 4.4Å; L102-L113 HydrophobicContact CG-CB 4.5Å; L102-L113 PolarHBondContact O-N 2.79Å; L104-L113 HydrophobicContact CB-CD1 3.93Å; L104-L113 HydrophobicContact CB-CD2 4.05Å; L104-L113 HydrophobicContact CB-CG 3.92Å; E111-L113 PolarHBondContact O-N 2.94Å; L113-F129 HydrophobicContact CD1-CD1 3.92Å; L113-F129 HydrophobicContact CD1-CE1 3.59Å; L113-F129 HydrophobicContact CD1-CZ 4.37Å; L113-F129 HydrophobicContact CD2-CD1 4.35Å; L113-L139 HydrophobicContact CD1-CD2 3.67Å
114V91Very high83.5Confident13 Ų1376.8 Ų76.88%0.07944%0.436CS..EExtended strand (participates in β ladder)trans-139116.6-175.8-169.50000108.5P93 F97 Q101 L102 L112P93-V114 HydrophobicContact CB-CG1 4.32Å; P93-V114 HydrophobicContact CG-CB 4.39Å; P93-V114 HydrophobicContact CG-CG1 3.86Å; P93-V114 HydrophobicContact CG-CG2 3.62Å; F97-V114 HydrophobicContact CD1-CG1 3.97Å; F97-V114 HydrophobicContact CE1-CB 4.46Å; F97-V114 HydrophobicContact CE1-CG1 3.84Å; F97-V114 HydrophobicContact CZ-CG1 4.49Å; Q101-V114 WeakPolarHBondContact CA-O 3.14Å; L102-V114 HydrophobicContact CB-CB 3.93Å; L102-V114 HydrophobicContact CB-CG2 4.22Å; L102-V114 HydrophobicContact CD2-CG2 3.94Å; L102-V114 PolarHBondContact N-O 2.83Å; L102-V114 PolarHBondContact O-N 2.75Å; L102-V114 VanDerWaalsContact O-N 3.1Å; L112-V114 WeakPolarHBondContact CD1-O 3.32Å
115G90.2Very high83Confident27 Ų2780 Ų8028%0.27845%0.448SS..  trans-74.3168173.600000112.6R117G115-R117 PolarHBondContact O-N 3.39Å
116D87.2Confident82.7Confident54 Ų5478.8 Ų78.829%0.28944%0.443SS..  trans-70126168.6-168.29.4000108.8G99 A100 Q101 T144G99-D116 PolarHBondContact N-OD1 2.95Å; A100-D116 WeakPolarHBondContact O-CA 3.23Å; Q101-D116 HydrophobicContact CG-CB 4.06Å; D116-T144 WeakPolarHBondContact CB-OG1 3.4Å; D116-T144 VanDerWaalsContact CG-OG1 3.23Å; D116-T144 WeakPolarHBondContact OD2-CB 3.47Å; D116-T144 VanDerWaalsContact OD2-CG2 3.3Å; D116-T144 WeakPolarHBondContact OD2-CG2 3.34Å; D116-T144 PolarHBondContact OD2-OG1 3.07Å
117R76.8Confident82.6Confident45 Ų4578.6 Ų78.617%0.1744%0.442CS..  trans-104.5133.6-170.6-67.216557.990.711.2109.2G115 S121 P122 P124G115-R117 PolarHBondContact O-N 3.39Å; R117-S121 PolarHBondContact NH2-O 2.73Å; R117-P122 PolarHBondContact NH1-O 3.06Å; R117-P122 VanDerWaalsContact NH2-C 3.3Å; R117-P122 PolarHBondContact NH2-O 2.88Å; R117-P124 VanDerWaalsContact CZ-N 3.34Å; R117-P124 VanDerWaalsContact NH1-N 3.12Å
118M72.2Confident82.7Confident153 Ų15373.5 Ų73.575%0.75442%0.417SS*.  trans-82.4156.1163.5-62.4179.993.500109.6A120 S121M118-A120 PolarHBondContact O-N 3.03Å; M118-S121 PolarHBondContact N-OG 2.61Å; M118-S121 VanDerWaalsContact N-OG 3.14Å; M118-S121 WeakPolarHBondContact O-CB 3.37Å; M118-S121 PolarHBondContact O-N 2.88Å; M118-S121 PolarHBondContact O-OG 2.92Å
119E68.4Low82.8Confident209 Ų20971 Ų7198%0.97739%0.386SS*.THydrogen-bonded Turntrans-57.7-24.9-176.7-158.8163.7-160.600113.7S121E119-S121 VanDerWaalsContact C-N 3.34Å
120A69.7Low82.3Confident104 Ų10467.3 Ų67.386%0.8637%0.372SS*.THydrogen-bonded Turntrans-83.60.1175.400000114.8M118M118-A120 PolarHBondContact O-N 3.03Å
121S75.6Confident81.6Confident41 Ų4166.2 Ų66.229%0.28736%0.362SS..SBendtrans-75144.2-176-50.10000111.5R117 M118 E119R117-S121 PolarHBondContact NH2-O 2.73Å; M118-S121 PolarHBondContact N-OG 2.61Å; M118-S121 VanDerWaalsContact N-OG 3.14Å; M118-S121 WeakPolarHBondContact O-CB 3.37Å; M118-S121 PolarHBondContact O-N 2.88Å; M118-S121 PolarHBondContact O-OG 2.92Å; E119-S121 VanDerWaalsContact C-N 3.34Å
122P73.2Confident80.7Confident105 Ų10563.8 Ų63.868%0.68236%0.355SS*.PPolyproline II helixtrans-60.5145.217826.2-34.8000110.9R117R117-P122 PolarHBondContact NH1-O 3.06Å; R117-P122 VanDerWaalsContact NH2-C 3.3Å; R117-P122 PolarHBondContact NH2-O 2.88Å
123P72.5Confident79.7Confident72 Ų7263.7 Ų63.747%0.46836%0.36SS..PPolyproline II helixtrans-46.7145.1-169.6-30.334.6000115.1R125P123-R125 PolarHBondContact O-N 2.89Å
124P76.3Confident78.8Confident13 Ų1366.1 Ų66.18%0.08439%0.39CS..PPolyproline II helixtrans-66.6127.1-178.78.8-1.3000110.7P93 S94 E95 R117P93-P124 HydrophobicContact CB-CB 3.61Å; P93-P124 HydrophobicContact CB-CG 4.13Å; P93-P124 HydrophobicContact CG-CB 3.82Å; S94-P124 WeakPolarHBondContact O-CG 3.25Å; E95-P124 VanDerWaalsContact OE2-CD 3.23Å; E95-P124 WeakPolarHBondContact OE2-CD 3.08Å; R117-P124 VanDerWaalsContact CZ-N 3.34Å; R117-P124 VanDerWaalsContact NH1-N 3.12Å
125R82.1Confident78.3Confident76 Ų7668 Ų6829%0.28740%0.398SS..PPolyproline II helixtrans-88.2151.5177.6-56.7-174.882.8-159.9-4.6109.8P123 T212P123-R125 PolarHBondContact O-N 2.89Å; R125-T212 VanDerWaalsContact CZ-O 3.27Å; R125-T212 PolarHBondContact NE-O 2.71Å; R125-T212 PolarHBondContact NH2-O 3.17Å
126V85.8Confident77.8Confident21 Ų2175.8 Ų75.813%0.12742%0.419CS..PPolyproline II helixtrans-62.2136.1170177.30000109C90 V91 K92 F268C90-V126 HydrophobicContact CB-CG1 4.01Å; V91-V126 WeakPolarHBondContact O-CA 3.24Å; K92-V126 HydrophobicContact CB-CG2 4Å; K92-V126 HydrophobicContact CD-CG2 4.06Å; K92-V126 HydrophobicContact CG-CG2 3.91Å; V126-F268 HydrophobicContact CG1-CD2 4.27Å; V126-F268 HydrophobicContact CG1-CE2 3.67Å; V126-F268 HydrophobicContact CG2-CD2 3.94Å; V126-F268 HydrophobicContact CG2-CE2 4.07Å
127R86.9Confident77.9Confident76 Ų7673.6 Ų73.629%0.28741%0.407SS..EExtended strand (participates in β ladder)trans-116.7125.5173-64.8-68.3177.9-118.4-1.2109.3C90 V91 D171C90-R127 CarbonylContact C-O 3.59Å; C90-R127 WeakPolarHBondContact CA-O 3.22Å; V91-R127 HydrophobicContact CG2-CB 3.91Å; V91-R127 PolarHBondContact N-O 3.37Å; V91-R127 PolarHBondContact O-N 3.49Å; R127-D171 IonicContact NH1-OD2 3.71Å; R127-D171 PolarHBondContact NH1-OD2 2.86Å
128C85.8Confident78.6Confident28 Ų2871.6 Ų71.619%0.18940%0.4CS..EExtended strand (participates in β ladder)trans-119.3141.6178.8-62.30000110.6T88 A89 C90T88-C128 HydrophobicContact CG2-CB 4.25Å; A89-C128 CarbonylContact O-C 3.48Å; A89-C128 VanDerWaalsContact O-CA 3.24Å; A89-C128 WeakPolarHBondContact O-CA 3.17Å; C90-C128 HydrophobicContact CB-CB 4.13Å; C90-C128 WeakPolarHBondContact CB-SG 3.46Å; C90-C128 WeakPolarHBondContact SG-CB 3.48Å; C90-C128 CovalentContact SG-SG 2.04Å; C90-C128 PolarHBondContact SG-SG 3.41Å
129F85.2Confident79.7Confident17 Ų1764.3 Ų64.38%0.07536%0.364CS..EExtended strand (participates in β ladder)trans-144.7147.4179.149.9-87.3000109.6T88 A89 V91 L104 L113 L137 L139T88-F129 WeakPolarHBondContact CA-O 3.31Å; A89-F129 HydrophobicContact CB-CD2 4.22Å; A89-F129 HydrophobicContact CB-CE1 4.35Å; A89-F129 HydrophobicContact CB-CE2 3.63Å; A89-F129 HydrophobicContact CB-CZ 3.68Å; A89-F129 PolarHBondContact N-O 2.81Å; A89-F129 PolarHBondContact O-N 2.85Å; V91-F129 HydrophobicContact CG1-CE1 4.41Å; L104-F129 HydrophobicContact CD1-CD2 3.51Å; L104-F129 HydrophobicContact CD1-CE2 3.43Å; L104-F129 VanDerWaalsContact CD1-CE2 3.43Å; L104-F129 HydrophobicContact CD1-CG 4.13Å; L104-F129 HydrophobicContact CD1-CZ 4.03Å; L104-F129 HydrophobicContact CD2-CB 3.89Å; L104-F129 HydrophobicContact CD2-CD2 3.93Å; L104-F129 HydrophobicContact CD2-CG 3.87Å; L104-F129 HydrophobicContact CG-CD2 4.37Å; L113-F129 HydrophobicContact CD1-CD1 3.92Å; L113-F129 HydrophobicContact CD1-CE1 3.59Å; L113-F129 HydrophobicContact CD1-CZ 4.37Å; L113-F129 HydrophobicContact CD2-CD1 4.35Å; F129-L137 HydrophobicContact CD2-CD1 4.47Å; F129-L137 HydrophobicContact CE2-CD1 3.94Å; F129-L137 HydrophobicContact CE2-CD2 3.72Å; F129-L137 HydrophobicContact CE2-CG 3.77Å; F129-L137 HydrophobicContact CZ-CD2 4.04Å; F129-L139 HydrophobicContact CE1-CD2 4.13Å; F129-L139 HydrophobicContact CE2-CD2 4.42Å; F129-L139 HydrophobicContact CZ-CD1 4.39Å; F129-L139 HydrophobicContact CZ-CD2 3.66Å; F129-L139 HydrophobicContact CZ-CG 4.29Å
130S80.1Confident81Confident54 Ų5455.9 Ų55.938%0.37832%0.324SS..EExtended strand (participates in β ladder)trans-105.6142.4-179.156.80000111.4I87 R106I87-S130 WeakPolarHBondContact O-CA 3.3Å; R106-S130 PolarHBondContact NH2-O 2.85Å
131R77.9Confident82.3Confident57 Ų5751 Ų5122%0.21528%0.283CS..EExtended strand (participates in β ladder)trans-111.7133.8176.5173.5-125.9165.2170.10.2109.1V86 I87 E135 L137V86-R131 WeakPolarHBondContact CA-O 3.2Å; I87-R131 PolarHBondContact N-O 2.86Å; I87-R131 PolarHBondContact O-N 2.85Å; R131-E135 HydrophobicContact CG-CB 3.69Å; R131-E135 PolarHBondContact NE-O 2.94Å; R131-E135 PolarHBondContact NH2-O 2.95Å; R131-L137 HydrophobicContact CB-CD1 4.03Å
132T75.2Confident83.2Confident63 Ų6352.8 Ų52.839%0.38729%0.287SS..  trans-79.5160.217373.10000111.1G134 E135T132-G134 PolarHBondContact O-N 2.63Å; T132-E135 PolarHBondContact N-OE2 2.88Å; T132-E135 VanDerWaalsContact N-OE2 3.09Å; T132-E135 PolarHBondContact O-N 3.07Å; T132-E135 PolarHBondContact OG1-OE1 2.79Å; T132-E135 PolarHBondContact OG1-OE2 3.41Å
133P71.8Confident84.2Confident88 Ų8848.4 Ų48.457%0.57126%0.26SS*.THydrogen-bonded Turntrans-56.5126.2175.4-2333.8000111.3
134G71Confident85.1Confident72 Ų7246.8 Ų46.874%0.74225%0.249SC*.THydrogen-bonded Turntrans104.6-25.7176.600000115.7T132T132-G134 PolarHBondContact O-N 2.63Å
135E79.8Confident85.6Confident52 Ų5251.8 Ų51.824%0.24328%0.281CS..  trans-69.6168.1176.1-71.2165.5-169.200112R106 R131 T132R106-E135 IonicContact NH1-OE2 3.8Å; R131-E135 HydrophobicContact CG-CB 3.69Å; R131-E135 PolarHBondContact NE-O 2.94Å; R131-E135 PolarHBondContact NH2-O 2.95Å; T132-E135 PolarHBondContact N-OE2 2.88Å; T132-E135 VanDerWaalsContact N-OE2 3.09Å; T132-E135 PolarHBondContact O-N 3.07Å; T132-E135 PolarHBondContact OG1-OE1 2.79Å; T132-E135 PolarHBondContact OG1-OE2 3.41Å
136R81.5Confident85.6Confident191 Ų19152.9 Ų52.972%0.72129%0.29SS*.  trans-102.7145.7167.5-69.6-171.1-175.794.1-1.8109.2A138R136-A138 PolarHBondContact O-N 2.9Å
137L87.9Confident85.2Confident9 Ų961.5 Ų61.55%0.04733%0.328CS..EExtended strand (participates in β ladder)trans-9088.2172.4-155.3134.4000108.7L70 A89 F129 R131 L160L70-L137 HydrophobicContact CB-CB 4.48Å; L70-L137 HydrophobicContact CB-CD2 3.6Å; L70-L137 HydrophobicContact CD1-CD2 3.63Å; L70-L137 HydrophobicContact CG-CD2 4.02Å; L70-L137 PolarHBondContact N-O 3.02Å; A89-L137 HydrophobicContact CB-CD1 3.41Å; A89-L137 VanDerWaalsContact CB-CD1 3.41Å; A89-L137 HydrophobicContact CB-CD2 3.58Å; A89-L137 HydrophobicContact CB-CG 4.08Å; F129-L137 HydrophobicContact CD2-CD1 4.47Å; F129-L137 HydrophobicContact CE2-CD1 3.94Å; F129-L137 HydrophobicContact CE2-CD2 3.72Å; F129-L137 HydrophobicContact CE2-CG 3.77Å; F129-L137 HydrophobicContact CZ-CD2 4.04Å; R131-L137 HydrophobicContact CB-CD1 4.03Å; L137-L160 HydrophobicContact CD1-CD2 4.34Å; L137-L160 HydrophobicContact CD2-CD2 3.95Å
138A92.4Very high85Confident2 Ų261.9 Ų61.92%0.01734%0.336CS..EExtended strand (participates in β ladder)trans-113.5133.5-176.200000110.8L68 E105 R136L68-A138 CarbonylContact O-C 3.46Å; L68-A138 VanDerWaalsContact O-CA 3.32Å; L68-A138 WeakPolarHBondContact O-CA 3.38Å; E105-A138 HydrophobicContact CB-CB 3.92Å; E105-A138 HydrophobicContact CG-CB 4.42Å; E105-A138 PolarHBondContact N-O 3.2Å; E105-A138 WeakPolarHBondContact OE2-CB 3.43Å; R136-A138 PolarHBondContact O-N 2.9Å
139L95.5Very high84.6Confident0 Ų068.4 Ų68.40%037%0.367CS..EExtended strand (participates in β ladder)trans-116.8139.3175-68.2176000108.6L68 L70 V91 L102 Y103 L104 L113 F129 F156L68-L139 HydrophobicContact CB-CB 4.24Å; L68-L139 HydrophobicContact CD2-CB 4.47Å; L68-L139 HydrophobicContact CD2-CD1 4.22Å; L68-L139 PolarHBondContact N-O 2.94Å; L68-L139 PolarHBondContact O-N 2.89Å; L70-L139 HydrophobicContact CD1-CD1 3.95Å; V91-L139 HydrophobicContact CG1-CD1 3.81Å; L102-L139 HydrophobicContact CD1-CB 4.05Å; L102-L139 HydrophobicContact CD1-CD1 4.37Å; L102-L139 HydrophobicContact CD1-CD2 4.48Å; Y103-L139 CarbonylContact O-C 3.52Å; Y103-L139 VanDerWaalsContact O-CA 3.29Å; Y103-L139 WeakPolarHBondContact O-CA 3.32Å; Y103-L139 WeakPolarHBondContact O-CD2 3.4Å; L104-L139 HydrophobicContact CD1-CD2 4.22Å; L113-L139 HydrophobicContact CD1-CD2 3.67Å; F129-L139 HydrophobicContact CE1-CD2 4.13Å; F129-L139 HydrophobicContact CE2-CD2 4.42Å; F129-L139 HydrophobicContact CZ-CD1 4.39Å; F129-L139 HydrophobicContact CZ-CD2 3.66Å; F129-L139 HydrophobicContact CZ-CG 4.29Å; L139-F156 HydrophobicContact CD1-CE2 4.2Å; L139-F156 HydrophobicContact CD1-CZ 4.3Å
140F95.8Very high84.7Confident33 Ų3369.9 Ų69.915%0.14538%0.38CS..EExtended strand (participates in β ladder)trans-114.4125.5176.7-169.4-99.7000109.3V45 A65 L66 R67 Y103 L110 Q142V45-F140 HydrophobicContact CG1-CE2 3.83Å; V45-F140 HydrophobicContact CG2-CE2 4.35Å; A65-F140 HydrophobicContact CB-CE1 3.91Å; A65-F140 HydrophobicContact CB-CE2 3.95Å; A65-F140 HydrophobicContact CB-CZ 3.38Å; L66-F140 WeakPolarHBondContact O-CA 3.44Å; R67-F140 HydrophobicContact CB-CD2 4.31Å; Y103-F140 HydrophobicContact CD2-CD1 4.3Å; Y103-F140 PolarHBondContact N-O 2.89Å; Y103-F140 PolarHBondContact O-N 2.83Å; L110-F140 HydrophobicContact CD1-CB 4.49Å; L110-F140 HydrophobicContact CD1-CD1 3.82Å; L110-F140 HydrophobicContact CD1-CE1 4.25Å; L110-F140 HydrophobicContact CD1-CG 4.2Å; L110-F140 HydrophobicContact CD2-CB 3.75Å; L110-F140 HydrophobicContact CD2-CG 4.23Å; F140-Q142 HydrophobicContact CD1-CB 4.35Å; F140-Q142 HydrophobicContact CE1-CB 4Å
141L95.5Very high85.1Confident0 Ų074.9 Ų74.90%039%0.39CS..EExtended strand (participates in β ladder)trans-107.3125.3173.5-73.689.9000109L57 W59 A65 L66 Q101 L102 F156L57-L141 HydrophobicContact CD1-CD1 4.3Å; L57-L141 HydrophobicContact CD2-CD2 4Å; W59-L141 HydrophobicContact CE3-CB 4.22Å; W59-L141 HydrophobicContact CE3-CD2 4.23Å; W59-L141 HydrophobicContact CZ3-CB 3.94Å; A65-L141 CarbonylContact C-O 3.54Å; A65-L141 WeakPolarHBondContact CA-O 3.28Å; A65-L141 VanDerWaalsContact CB-O 3.22Å; A65-L141 WeakPolarHBondContact CB-O 3.41Å; L66-L141 HydrophobicContact CB-CB 4.17Å; L66-L141 PolarHBondContact N-O 3.12Å; L66-L141 PolarHBondContact O-N 2.93Å; Q101-L141 WeakPolarHBondContact O-CA 3.3Å; L102-L141 HydrophobicContact CD1-CD1 3.57Å; L102-L141 HydrophobicContact CD1-CD2 4.37Å; L102-L141 HydrophobicContact CD1-CG 3.63Å; L141-F156 HydrophobicContact CD1-CE1 4.04Å; L141-F156 HydrophobicContact CD1-CZ 4.32Å; L141-F156 HydrophobicContact CD2-CD1 4.44Å; L141-F156 HydrophobicContact CD2-CE1 3.8Å; L141-F156 HydrophobicContact CG-CE1 4.4Å
142Q94.7Very high85.7Confident80 Ų8074.3 Ų74.337%0.37439%0.388SS..EExtended strand (participates in β ladder)trans-116.3126.8176.8-174.6173.7-25.100109.6A100 Q101 Y103 F140A100-Q142 CarbonylContact C-O 3.45Å; A100-Q142 WeakPolarHBondContact CA-O 3.38Å; A100-Q142 WeakPolarHBondContact CB-O 3.48Å; Q101-Q142 PolarHBondContact N-O 3.48Å; Q101-Q142 PolarHBondContact O-N 2.86Å; Y103-Q142 HydrophobicContact CE2-CB 4.11Å; F140-Q142 HydrophobicContact CD1-CB 4.35Å; F140-Q142 HydrophobicContact CE1-CB 4Å
143A93.5Very high86.6Confident12 Ų1272.3 Ų72.310%0.09938%0.376CS..EExtended strand (participates in β ladder)trans-68.7137.4175.200000110.9W59 P62 G64W59-A143 HydrophobicContact CH2-CB 3.88Å; W59-A143 HydrophobicContact CZ3-CB 4.3Å; P62-A143 VanDerWaalsContact C-CB 3.44Å; P62-A143 HydrophobicContact CB-CB 3.78Å; G64-A143 WeakPolarHBondContact O-CB 3.01Å; G64-A143 PolarHBondContact O-N 3.02Å
144T92.1Very high87.7Confident39 Ų3968.1 Ų68.124%0.23935%0.349CS..PPolyproline II helixtrans-77.4125.5171.9-52.30000109.1G99 D116 H146G99-T144 PolarHBondContact O-N 3.09Å; D116-T144 WeakPolarHBondContact CB-OG1 3.4Å; D116-T144 VanDerWaalsContact CG-OG1 3.23Å; D116-T144 WeakPolarHBondContact OD2-CB 3.47Å; D116-T144 VanDerWaalsContact OD2-CG2 3.3Å; D116-T144 WeakPolarHBondContact OD2-CG2 3.34Å; D116-T144 PolarHBondContact OD2-OG1 3.07Å; T144-H146 PolarHBondContact O-N 2.97Å
145P86.8Confident88.8Confident118 Ų11865.2 Ų65.277%0.76632%0.317SS*.PPolyproline II helixtrans-58.4133.7177.8-23.533.5000111.6
146H81.5Confident89.6Confident99 Ų9963 Ų6346%0.45831%0.306SS..  trans-151.4155.1176.3-167.275000111.7T144 D148 R152T144-H146 PolarHBondContact O-N 2.97Å; H146-D148 PolarHBondContact CD2-N 3.12Å; H146-D148 IonicContact CD2-OD1 3.35Å; H146-D148 PolarHBondContact CD2-OD1 2.98Å; H146-D148 IonicContact CD2-OD2 3.72Å; H146-D148 PolarHBondContact CD2-OD2 3.33Å; H146-D148 IonicContact CE1-OD2 2.74Å; H146-D148 WeakPolarHBondContact NE2-CB 3.38Å; H146-D148 PolarHBondContact NE2-N 2.72Å; H146-D148 IonicContact NE2-OD1 3.36Å; H146-D148 PolarHBondContact NE2-OD1 3.47Å; H146-D148 VanDerWaalsContact NE2-OD1 3.08Å; H146-D148 IonicContact NE2-OD2 3.64Å; H146-D148 PolarHBondContact NE2-OD2 3.08Å; H146-R152 PolarHBondContact CD2-NH2 3.14Å; H146-R152 PolarHBondContact CE1-NH2 2.54Å; H146-R152 PolarHBondContact ND1-NH1 2.8Å; H146-R152 PolarHBondContact ND1-NH2 3.49Å; H146-R152 VanDerWaalsContact ND1-NH2 3.12Å; H146-R152 PolarHBondContact NE2-NH2 2.82Å
147Q78.3Confident90.2Very high201 Ų20160.5 Ų60.594%0.93930%0.297SS*.SBendtrans-99.1-17.5-172-64.3-168.7-300114.9
148D82.6Confident90.5Very high84 Ų8460.1 Ų60.145%0.44930%0.295SS..SBendtrans-89.5169.4174.977.623.3000113.2H146 S150 R152H146-D148 PolarHBondContact CD2-N 3.12Å; H146-D148 IonicContact CD2-OD1 3.35Å; H146-D148 PolarHBondContact CD2-OD1 2.98Å; H146-D148 IonicContact CD2-OD2 3.72Å; H146-D148 PolarHBondContact CD2-OD2 3.33Å; H146-D148 IonicContact CE1-OD2 2.74Å; H146-D148 WeakPolarHBondContact NE2-CB 3.38Å; H146-D148 PolarHBondContact NE2-N 2.72Å; H146-D148 IonicContact NE2-OD1 3.36Å; H146-D148 PolarHBondContact NE2-OD1 3.47Å; H146-D148 VanDerWaalsContact NE2-OD1 3.08Å; H146-D148 IonicContact NE2-OD2 3.64Å; H146-D148 PolarHBondContact NE2-OD2 3.08Å; D148-S150 VanDerWaalsContact C-N 3.35Å; D148-S150 VanDerWaalsContact CG-OG 3.26Å; D148-S150 WeakPolarHBondContact OD1-CA 3.49Å; D148-S150 WeakPolarHBondContact OD1-CB 3.5Å; D148-S150 PolarHBondContact OD1-N 2.86Å; D148-S150 PolarHBondContact OD1-OG 3.05Å; D148-S150 PolarHBondContact OD2-OG 3.37Å; D148-R152 IonicContact OD1-NH2 3.94Å; D148-R152 IonicContact OD2-NH2 3.58Å
149I78.4Confident90.5Very high166 Ų16660.7 Ų60.785%0.85130%0.297SS*.  trans-98.922.7173.859.3169.3000112R151I149-R151 PolarHBondContact O-N 2.78Å
150S85.9Confident90.1Very high47 Ų4761 Ų6133%0.32930%0.299SS..  trans-58.7141.1-18064.10000109.9D148 R152D148-S150 VanDerWaalsContact C-N 3.35Å; D148-S150 VanDerWaalsContact CG-OG 3.26Å; D148-S150 WeakPolarHBondContact OD1-CA 3.49Å; D148-S150 WeakPolarHBondContact OD1-CB 3.5Å; D148-S150 PolarHBondContact OD1-N 2.86Å; D148-S150 PolarHBondContact OD1-OG 3.05Å; D148-S150 PolarHBondContact OD2-OG 3.37Å; S150-R152 PolarHBondContact O-N 3.16Å; S150-R152 VanDerWaalsContact O-N 3.14Å; S150-R152 PolarHBondContact OG-NE 2.98Å; S150-R152 VanDerWaalsContact OG-NE 3.09Å
151R89.1Confident89.2Confident159 Ų15962 Ų6260%0.630%0.302SS*.  trans-70.2114.9176.7180178.8172.2-171-3.4108.8Y61 I149Y61-R151 VanDerWaalsContact CE1-CA 3.49Å; Y61-R151 HydrophobicContact CE1-CB 3.82Å; Y61-R151 HydrophobicContact CE1-CG 4.1Å; Y61-R151 HydrophobicContact CE2-CG 4.38Å; I149-R151 PolarHBondContact O-N 2.78Å
152R91.1Very high87.8Confident46 Ų4663.8 Ų63.817%0.17432%0.32CS..  trans-118.2148.5172.2-54.6-174.3-178.1176.6-4.6110.7Y61 H98 H146 D148 S150Y61-R152 PolarHBondContact N-O 2.92Å; H98-R152 WeakPolarHBondContact NE2-CA 3.09Å; H146-R152 PolarHBondContact CD2-NH2 3.14Å; H146-R152 PolarHBondContact CE1-NH2 2.54Å; H146-R152 PolarHBondContact ND1-NH1 2.8Å; H146-R152 PolarHBondContact ND1-NH2 3.49Å; H146-R152 VanDerWaalsContact ND1-NH2 3.12Å; H146-R152 PolarHBondContact NE2-NH2 2.82Å; D148-R152 IonicContact OD1-NH2 3.94Å; D148-R152 IonicContact OD2-NH2 3.58Å; S150-R152 PolarHBondContact O-N 3.16Å; S150-R152 VanDerWaalsContact O-N 3.14Å; S150-R152 PolarHBondContact OG-NE 2.98Å; S150-R152 VanDerWaalsContact OG-NE 3.09Å
153T93Very high85.8Confident21 Ų2162 Ų6213%0.12932%0.324CS..EExtended strand (participates in β ladder)trans-136.5117.3-178.7-53.60000109.1W59 L60 H98W59-T153 WeakPolarHBondContact O-CA 3.34Å; L60-T153 HydrophobicContact CD2-CG2 3.91Å; H98-T153 PolarHBondContact N-O 2.74Å; H98-T153 VanDerWaalsContact N-O 3.12Å; H98-T153 CarbonylContact O-C 3.48Å
154A94.5Very high83.6Confident0 Ų067.5 Ų67.50%034%0.342CS..EExtended strand (participates in β ladder)trans-95.198.4167.900000107.6W59 P62 F97 A100W59-A154 HydrophobicContact CB-CB 4.32Å; W59-A154 HydrophobicContact CE3-CB 4.32Å; W59-A154 PolarHBondContact N-O 2.79Å; W59-A154 PolarHBondContact O-N 2.73Å; P62-A154 HydrophobicContact CG-CB 3.93Å; F97-A154 HydrophobicContact CD2-CB 4.15Å; F97-A154 HydrophobicContact CE2-CB 3.72Å; F97-A154 HydrophobicContact CZ-CB 4.16Å; A100-A154 HydrophobicContact CB-CB 3.56Å
155S95.3Very high81.5Confident11 Ų1166.2 Ų66.28%0.07733%0.333CS..EExtended strand (participates in β ladder)trans-126.3138.8179.860.70000113.9L57 D58 S94 F97L57-S155 CarbonylContact O-C 3.54Å; L57-S155 WeakPolarHBondContact O-CA 3.48Å; L57-S155 WeakPolarHBondContact O-CB 3.36Å; D58-S155 WeakPolarHBondContact OD1-CB 3.46Å; S94-S155 WeakPolarHBondContact CB-O 3.16Å; S94-S155 VanDerWaalsContact CB-OG 3.29Å; S94-S155 WeakPolarHBondContact CB-OG 3.29Å; S94-S155 PolarHBondContact N-O 3.09Å; S94-S155 PolarHBondContact OG-O 2.9Å; S94-S155 PolarHBondContact OG-OG 3.31Å; F97-S155 WeakPolarHBondContact CD2-O 3.28Å
156F95.5Very high79.4Confident5 Ų562.6 Ų62.62%0.02231%0.313CS..EExtended strand (participates in β ladder)trans-150.715817767.1-87000111.2T56 L57 L68 V91 K92 F97 L102 L139 L141T56-F156 WeakPolarHBondContact CA-O 3.47Å; L57-F156 HydrophobicContact CB-CD1 4.14Å; L57-F156 HydrophobicContact CB-CE1 3.67Å; L57-F156 HydrophobicContact CB-CE2 4.38Å; L57-F156 HydrophobicContact CB-CZ 3.82Å; L57-F156 HydrophobicContact CD1-CE1 3.96Å; L57-F156 HydrophobicContact CD1-CZ 4.01Å; L57-F156 HydrophobicContact CD2-CD1 4.31Å; L57-F156 HydrophobicContact CD2-CE1 3.8Å; L57-F156 HydrophobicContact CG-CE1 4Å; L57-F156 HydrophobicContact CG-CZ 4.34Å; L57-F156 PolarHBondContact N-O 3.17Å; L57-F156 PolarHBondContact O-N 3.36Å; L68-F156 HydrophobicContact CD2-CE2 4.21Å; L68-F156 HydrophobicContact CD2-CZ 3.65Å; V91-F156 HydrophobicContact CB-CD2 4.06Å; V91-F156 HydrophobicContact CG1-CD2 3.94Å; V91-F156 HydrophobicContact CG1-CE2 3.91Å; K92-F156 WeakPolarHBondContact O-CA 3.11Å; K92-F156 WeakPolarHBondContact O-CB 3.08Å; F97-F156 HydrophobicContact CE2-CD1 4.42Å; L102-F156 HydrophobicContact CD1-CE1 4.23Å; L102-F156 HydrophobicContact CD1-CZ 4.29Å; L139-F156 HydrophobicContact CD1-CE2 4.2Å; L139-F156 HydrophobicContact CD1-CZ 4.3Å; L141-F156 HydrophobicContact CD1-CE1 4.04Å; L141-F156 HydrophobicContact CD1-CZ 4.32Å; L141-F156 HydrophobicContact CD2-CD1 4.44Å; L141-F156 HydrophobicContact CD2-CE1 3.8Å; L141-F156 HydrophobicContact CG-CE1 4.4Å
157R95.4Very high77.7Confident138 Ų13861.6 Ų61.652%0.52131%0.305SS..EExtended strand (participates in β ladder)trans-99.6147.5168.7-53.7-167.4-176.4163.41.8109.2G55 T56 V91 K92 F268G55-R157 WeakPolarHBondContact O-CA 3.2Å; T56-R157 HydrophobicContact CG2-CG 3.98Å; V91-R157 CarbonylContact C-O 3.58Å; V91-R157 VanDerWaalsContact CA-O 3.31Å; V91-R157 WeakPolarHBondContact CA-O 3.29Å; K92-R157 PolarHBondContact N-O 3.49Å; K92-R157 PolarHBondContact O-N 2.96Å; R157-F268 HydrophobicContact CB-CD1 3.69Å; R157-F268 HydrophobicContact CB-CE1 3.58Å; R157-F268 WeakPolarHBondContact O-CE1 3.16Å
158Y93.5Very high76.1Confident1 Ų153.5 Ų53.50%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-124.3150.7172.672.9-88.7000111.2C31 L50 E54 G55 L70 C90 L160C31-Y158 VanDerWaalsContact O-CE1 3.26Å; C31-Y158 WeakPolarHBondContact O-CE1 3.07Å; C31-Y158 PolarHBondContact O-OH 2.95Å; L50-Y158 WeakPolarHBondContact CB-OH 3.34Å; L50-Y158 HydrophobicContact CD1-CD1 4.37Å; L50-Y158 HydrophobicContact CD1-CE1 3.47Å; L50-Y158 VanDerWaalsContact CD1-CE1 3.47Å; E54-Y158 VanDerWaalsContact CA-O 3.28Å; E54-Y158 WeakPolarHBondContact CA-O 3.37Å; G55-Y158 VanDerWaalsContact C-CD1 3.48Å; G55-Y158 VanDerWaalsContact CA-CE1 3.41Å; G55-Y158 PolarHBondContact N-O 3.22Å; G55-Y158 VanDerWaalsContact N-O 3.07Å; G55-Y158 WeakPolarHBondContact O-CD1 3.45Å; G55-Y158 PolarHBondContact O-N 2.94Å; L70-Y158 HydrophobicContact CD1-CD2 3.8Å; L70-Y158 HydrophobicContact CD1-CE2 4.47Å; L70-Y158 HydrophobicContact CD1-CG 3.9Å; L70-Y158 HydrophobicContact CD2-CD1 4.17Å; L70-Y158 HydrophobicContact CD2-CD2 3.89Å; L70-Y158 HydrophobicContact CD2-CE1 4.09Å; L70-Y158 HydrophobicContact CD2-CE2 3.79Å; L70-Y158 HydrophobicContact CD2-CG 4.08Å; L70-Y158 HydrophobicContact CG-CD2 4.42Å; C90-Y158 CarbonylContact O-C 3.52Å; C90-Y158 VanDerWaalsContact O-CA 3.3Å; C90-Y158 WeakPolarHBondContact O-CA 3.44Å; Y158-L160 HydrophobicContact CD2-CG 4.32Å; Y158-L160 HydrophobicContact CE2-CG 4.5Å
159E91.6Very high74.3Confident14 Ų1450 Ų507%0.06525%0.25CS..EExtended strand (participates in β ladder)trans-137.5131.6171.5-70.9-177179.500109.6S53 E54 A89 C90 H267 F268S53-E159 CarbonylContact O-C 3.55Å; S53-E159 WeakPolarHBondContact O-CA 2.92Å; E54-E159 HydrophobicContact CB-CG 4.05Å; A89-E159 CarbonylContact C-O 3.52Å; A89-E159 VanDerWaalsContact CA-O 3.29Å; A89-E159 WeakPolarHBondContact CA-O 3.42Å; C90-E159 PolarHBondContact N-O 2.04Å; C90-E159 PolarHBondContact O-N 2.86Å; E159-H267 IonicContact OE2-CE1 3.17Å; E159-H267 IonicContact OE2-CG 3.83Å; E159-H267 IonicContact OE2-ND1 3.25Å; E159-H267 PolarHBondContact OE2-ND1 2.74Å; E159-F268 HydrophobicContact CB-CE1 4.39Å; E159-F268 HydrophobicContact CB-CZ 4.28Å; E159-F268 HydrophobicContact CG-CD1 4.13Å; E159-F268 HydrophobicContact CG-CE1 3.77Å; E159-F268 HydrophobicContact CG-CZ 4.11Å; E159-F268 VanDerWaalsContact OE1-CA 3.3Å; E159-F268 WeakPolarHBondContact OE1-CA 3.42Å; E159-F268 PolarHBondContact OE1-N 2.92Å
160L87.1Confident72.7Confident8 Ų844.6 Ų44.64%0.04222%0.223CC..EExtended strand (participates in β ladder)trans-109125.3172.8-48.4-179.9000108.7C52 S53 L70 P72 I87 A89 L137 Y158C52-L160 VanDerWaalsContact O-CD1 3.24Å; C52-L160 WeakPolarHBondContact O-CD1 3.31Å; S53-L160 PolarHBondContact O-N 2.93Å; L70-L160 HydrophobicContact CB-CD1 4.08Å; L70-L160 HydrophobicContact CB-CD2 4.06Å; L70-L160 HydrophobicContact CD1-CD2 4.1Å; P72-L160 HydrophobicContact CB-CD1 4.26Å; I87-L160 HydrophobicContact CG2-CB 4.35Å; A89-L160 HydrophobicContact CB-CD2 3.46Å; A89-L160 VanDerWaalsContact CB-CD2 3.46Å; L137-L160 HydrophobicContact CD1-CD2 4.34Å; L137-L160 HydrophobicContact CD2-CD2 3.95Å; Y158-L160 HydrophobicContact CD2-CG 4.32Å; Y158-L160 HydrophobicContact CE2-CG 4.5Å
161R77.4Confident70.5Confident53 Ų5346.1 Ų46.120%0.223%0.227CC..EExtended strand (participates in β ladder)trans-137.4151.5179-65.3-167.2128-177-2.1111.7T88 M165 D197 R265 V266T88-R161 PolarHBondContact N-O 3.34Å; T88-R161 PolarHBondContact O-N 2.83Å; R161-M165 HydrophobicContact CB-CB 4.35Å; R161-M165 HydrophobicContact CB-CG 3.79Å; R161-M165 HydrophobicContact CG-CG 4.09Å; R161-M165 PolarHBondContact NH1-SD 3.39Å; R161-M165 VanDerWaalsContact NH1-SD 3.39Å; R161-D197 IonicContact NH2-OD2 3.13Å; R161-D197 PolarHBondContact NH2-OD2 3Å; R161-R265 VanDerWaalsContact NH1-CB 3.33Å; R161-V266 PolarHBondContact NH1-O 3.41Å; R161-V266 VanDerWaalsContact NH1-O 3.09Å; R161-V266 PolarHBondContact NH2-O 2.79Å
162G66.8Low68.1Low38 Ų3841 Ų4139%0.39222%0.216SC..EExtended strand (participates in β ladder)trans-69.8170.3167.100000111.7W164 M165G162-W164 PolarHBondContact O-N 3.45Å; G162-M165 PolarHBondContact O-N 3.38Å
163G53.1Low65.7Low43 Ų4347.4 Ų47.444%0.44325%0.254SS..G310 helixtrans-50.2-3.5-167.200000119.9M165 A166G163-M165 PolarHBondContact O-N 3.3Å; G163-A166 VanDerWaalsContact O-CB 3.25Å; G163-A166 WeakPolarHBondContact O-CB 3.44Å; G163-A166 PolarHBondContact O-N 2.95Å
164W45.9Very low63.3Low126 Ų12650.7 Ų50.748%0.47728%0.283SS..G310 helixtrans-63.8-37172.4-172.3-91.3000112.9G162 A166 R167G162-W164 PolarHBondContact O-N 3.45Å; W164-A166 PolarHBondContact O-N 2.75Å; W164-R167 WeakPolarHBondContact O-CB 3.37Å; W164-R167 PolarHBondContact O-N 3.46Å; W164-R167 VanDerWaalsContact O-N 3.17Å
165M48.9Very low61.2Low13 Ų1352.6 Ų52.66%0.06429%0.293CS..G310 helixtrans-74.7-12.5175.1-65.5-64.9-88.500113R161 G162 G163 R167 M168 A169 H267R161-M165 HydrophobicContact CB-CB 4.35Å; R161-M165 HydrophobicContact CB-CG 3.79Å; R161-M165 HydrophobicContact CG-CG 4.09Å; R161-M165 PolarHBondContact NH1-SD 3.39Å; R161-M165 VanDerWaalsContact NH1-SD 3.39Å; G162-M165 PolarHBondContact O-N 3.38Å; G163-M165 PolarHBondContact O-N 3.3Å; M165-R167 PolarHBondContact O-N 3.14Å; M165-M168 CarbonylContact O-C 3.58Å; M165-M168 PolarHBondContact O-N 3.06Å; M165-A169 PolarHBondContact O-N 3.09Å; M165-H267 HydrophobicContact CE-CB 3.8Å; M165-H267 VanDerWaalsContact CE-CG 3.47Å; M165-H267 VanDerWaalsContact CE-ND1 3.31Å; M165-H267 WeakPolarHBondContact CE-ND1 3.31Å
166A43.5Very low59.3Low41 Ų4154.4 Ų54.434%0.33931%0.305SS..G310 helixtrans-64.5-17.7169.100000111.7G163 W164 I175G163-A166 VanDerWaalsContact O-CB 3.25Å; G163-A166 WeakPolarHBondContact O-CB 3.44Å; G163-A166 PolarHBondContact O-N 2.95Å; W164-A166 PolarHBondContact O-N 2.75Å; A166-I175 WeakPolarHBondContact O-CD1 2.99Å; A166-I175 WeakPolarHBondContact O-CG1 3.43Å
167R45.8Very low57.5Low78 Ų7861.3 Ų61.329%0.29433%0.331SS..G310 helixtrans-81.9-6.3169-62.3-178.188.597.7-0.2114.5W164 M165 I175 D179W164-R167 WeakPolarHBondContact O-CB 3.37Å; W164-R167 PolarHBondContact O-N 3.46Å; W164-R167 VanDerWaalsContact O-N 3.17Å; M165-R167 PolarHBondContact O-N 3.14Å; R167-I175 VanDerWaalsContact CA-CD1 3.41Å; R167-I175 WeakPolarHBondContact O-CD1 3.02Å; R167-D179 PolarHBondContact NH2-O 3.45Å; R167-D179 IonicContact NH2-OD1 2.92Å
168M44.3Very low55.9Low32 Ų3260.3 Ų60.316%0.15833%0.333CS..THydrogen-bonded Turntrans-128.25.1-177.4-64.4-67.315900112.2M165 L170 L248M165-M168 CarbonylContact O-C 3.58Å; M165-M168 PolarHBondContact O-N 3.06Å; M168-L170 PolarHBondContact O-N 3.28Å; M168-L248 HydrophobicContact SD-CD1 4.45Å; M168-L248 HydrophobicContact SD-CG 4.39Å
169A43.5Very low54.7Low9 Ų963.7 Ų63.77%0.07435%0.351CS..  trans-66.5102.7177.700000108.6M165 D171 S172M165-A169 PolarHBondContact O-N 3.09Å; A169-D171 PolarHBondContact O-N 3.46Å; A169-S172 WeakPolarHBondContact CB-OG 3.18Å; A169-S172 PolarHBondContact O-N 3.41Å; A169-S172 VanDerWaalsContact O-N 3.09Å
170L46.2Very low53.7Low53 Ų5363.9 Ų63.928%0.27736%0.355SS..THydrogen-bonded Turntrans-57.9-8.8-176.1-69162.1000114.3M168 L248 W272M168-L170 PolarHBondContact O-N 3.28Å; L170-L248 HydrophobicContact CD2-CD2 3.63Å; L170-W272 HydrophobicContact CD1-CH2 4.05Å; L170-W272 HydrophobicContact CD2-CH2 4.28Å
171D38.8Very low53.5Low79 Ų7965.5 Ų65.542%0.42237%0.366SS..THydrogen-bonded Turntrans-124.95-177.6-69.5-26.8000113.7R127 A169R127-D171 IonicContact NH1-OD2 3.71Å; R127-D171 PolarHBondContact NH1-OD2 2.86Å; A169-D171 PolarHBondContact O-N 3.46Å
172S38Very low54Low53 Ų5367.8 Ų67.837%0.37138%0.375SS..  trans-100.1107.5176.7-550000110.9A169 A174A169-S172 WeakPolarHBondContact CB-OG 3.18Å; A169-S172 PolarHBondContact O-N 3.41Å; A169-S172 VanDerWaalsContact O-N 3.09Å; S172-A174 PolarHBondContact O-N 2.02Å
173N40.8Very low55.1Low180 Ų18071.7 Ų71.796%0.96339%0.394SS*.THydrogen-bonded Turntrans-56.920.2172.7-84.8-14.5000115.7
174A43.1Very low56.9Low90 Ų9071.3 Ų71.374%0.74438%0.384SS*.THydrogen-bonded Turntrans-111.8-2.2-167.400000115S172S172-A174 PolarHBondContact O-N 2.02Å
175I50.5Low59Low39 Ų3969 Ų6920%0.238%0.381CS..SBendtrans-107.2113.7174.9-42.2140.1000107.1A166 R167 R177 D179 A180A166-I175 WeakPolarHBondContact O-CD1 2.99Å; A166-I175 WeakPolarHBondContact O-CG1 3.43Å; R167-I175 VanDerWaalsContact CA-CD1 3.41Å; R167-I175 WeakPolarHBondContact O-CD1 3.02Å; I175-R177 PolarHBondContact O-N 3.13Å; I175-D179 HydrophobicContact CG2-CB 3.75Å; I175-A180 HydrophobicContact CG2-CB 3.84Å
176S54.8Low61.2Low49 Ų4972.8 Ų72.834%0.34340%0.401SS..  trans-53.5141.4168.472.20000108.6E178 D179 A180S176-E178 PolarHBondContact O-N 3.13Å; S176-D179 PolarHBondContact O-N 2.9Å; S176-D179 WeakPolarHBondContact OG-CB 3.34Å; S176-D179 VanDerWaalsContact OG-CG 3.22Å; S176-D179 PolarHBondContact OG-N 3.03Å; S176-D179 VanDerWaalsContact OG-N 3.11Å; S176-D179 PolarHBondContact OG-OD2 2.93Å; S176-A180 PolarHBondContact O-N 3.28Å
177R58.9Low63.5Low150 Ų15075.6 Ų75.657%0.56641%0.414SS*.Hα-helixtrans-54.5-31.4178.9-171.3176.366.9-169.83.9110.7I175 A180 C181 Q250I175-R177 PolarHBondContact O-N 3.13Å; R177-A180 PolarHBondContact O-N 2.73Å; R177-C181 WeakPolarHBondContact O-CB 3.44Å; R177-C181 PolarHBondContact O-N 3.23Å; R177-C181 VanDerWaalsContact O-N 3.12Å; R177-Q250 HydrophobicContact CG-CB 4.11Å; R177-Q250 HydrophobicContact CG-CG 3.95Å
178E61.7Low65.6Low117 Ų11774.2 Ų74.255%0.54741%0.411SS..Hα-helixtrans-65.2-38.6177.7-64.764.6-14000112.2S176 R182S176-E178 PolarHBondContact O-N 3.13Å; E178-R182 VanDerWaalsContact O-CB 3.3Å; E178-R182 WeakPolarHBondContact O-CB 3.24Å; E178-R182 PolarHBondContact O-N 3.49Å
179D67.1Low67.9Low72 Ų7273.3 Ų73.339%0.38541%0.407SS..Hα-helixtrans-75.5-31.3177.8-83.1-51.1000113.8R167 I175 S176R167-D179 PolarHBondContact NH2-O 3.45Å; R167-D179 IonicContact NH2-OD1 2.92Å; I175-D179 HydrophobicContact CG2-CB 3.75Å; S176-D179 PolarHBondContact O-N 2.9Å; S176-D179 WeakPolarHBondContact OG-CB 3.34Å; S176-D179 VanDerWaalsContact OG-CG 3.22Å; S176-D179 PolarHBondContact OG-N 3.03Å; S176-D179 VanDerWaalsContact OG-N 3.11Å; S176-D179 PolarHBondContact OG-OD2 2.93Å
180A71.9Confident70.3Confident19 Ų1973.8 Ų73.816%0.15741%0.408CS..Hα-helixtrans-83.5-34.6-177.100000112.8I175 S176 R177 L248I175-A180 HydrophobicContact CG2-CB 3.84Å; S176-A180 PolarHBondContact O-N 3.28Å; R177-A180 PolarHBondContact O-N 2.73Å; A180-L248 HydrophobicContact CB-CD1 3.76Å
181C82.9Confident72.5Confident41 Ų4175.4 Ų75.428%0.27742%0.415SS..Hα-helixtrans-109.11.4-169.7-58.30000114.2R177 C251R177-C181 WeakPolarHBondContact O-CB 3.44Å; R177-C181 PolarHBondContact O-N 3.23Å; R177-C181 VanDerWaalsContact O-N 3.12Å; C181-C251 VanDerWaalsContact CA-SG 3.56Å; C181-C251 HydrophobicContact CB-CB 3.67Å; C181-C251 WeakPolarHBondContact CB-SG 3.5Å; C181-C251 WeakPolarHBondContact SG-CA 3.31Å; C181-C251 WeakPolarHBondContact SG-CB 3.33Å; C181-C251 PolarHBondContact SG-N 2.78Å; C181-C251 VanDerWaalsContact SG-N 3.43Å; C181-C251 CovalentContact SG-SG 2.04Å; C181-C251 PolarHBondContact SG-SG 2.89Å
182R87.3Confident75.1Confident102 Ų10272.2 Ų72.239%0.38540%0.399SS..SBendtrans-64.1144175.563.8176.7-178.181.8-0.8111.3E178 E188E178-R182 VanDerWaalsContact O-CB 3.3Å; E178-R182 WeakPolarHBondContact O-CB 3.24Å; E178-R182 PolarHBondContact O-N 3.49Å; R182-E188 IonicContact CZ-OE1 3.47Å; R182-E188 IonicContact CZ-OE2 3.76Å; R182-E188 IonicContact NH1-OE1 2.72Å; R182-E188 PolarHBondContact NH1-OE1 2.79Å; R182-E188 IonicContact NH1-OE2 3.77Å; R182-E188 PolarHBondContact NH1-OE2 2.87Å; R182-E188 IonicContact NH2-OE1 2.86Å; R182-E188 PolarHBondContact NH2-OE1 3.48Å; R182-E188 IonicContact NH2-OE2 3.08Å
183P89.4Confident77.7Confident120 Ų12069.9 Ų69.978%0.77938%0.383SS*.PPolyproline II helixtrans-56.1143.8167.3-23.533.9000111.4
184C91Very high80.1Confident35 Ų3562.7 Ų62.724%0.23635%0.346CS..PPolyproline II helixtrans-68.1141.9173.5-62.40000110.9E188 I189 C275C184-E188 WeakPolarHBondContact CA-OE2 3.35Å; C184-E188 HydrophobicContact CB-CB 3.9Å; C184-I189 HydrophobicContact CB-CD1 4.49Å; C184-I189 HydrophobicContact CB-CG1 3.75Å; C184-C275 HydrophobicContact CB-CB 3.77Å; C184-C275 WeakPolarHBondContact CB-SG 3.3Å; C184-C275 VanDerWaalsContact SG-CA 3.54Å; C184-C275 WeakPolarHBondContact SG-CB 3.26Å; C184-C275 CovalentContact SG-SG 2.03Å; C184-C275 PolarHBondContact SG-SG 3.09Å
185N91.8Very high82.3Confident78 Ų7861.8 Ų61.842%0.41733%0.332SS..PPolyproline II helixtrans-79.4173.1170.469.443.7000111.7T187 E188 I189N185-T187 PolarHBondContact O-N 3.12Å; N185-T187 PolarHBondContact OD1-N 3.38Å; N185-T187 VanDerWaalsContact OD1-N 3.1Å; N185-E188 PolarHBondContact N-OE2 3.47Å; N185-E188 PolarHBondContact ND2-OE2 3.46Å; N185-E188 PolarHBondContact O-N 2.69Å; N185-E188 WeakPolarHBondContact OD1-CB 3.35Å; N185-E188 WeakPolarHBondContact OD1-CG 3.32Å; N185-E188 PolarHBondContact OD1-N 3.13Å; N185-I189 VanDerWaalsContact O-CG1 3.28Å; N185-I189 WeakPolarHBondContact O-CG1 3.29Å; N185-I189 PolarHBondContact O-N 2.7Å
186D93.8Very high84.3Confident92 Ų9260.3 Ų60.349%0.49233%0.325SS..Hα-helixtrans-56.4-45.2-176.9-74.3-28.4000113.1I189 L190 T285D186-I189 PolarHBondContact O-N 3.14Å; D186-L190 VanDerWaalsContact O-CG 3.26Å; D186-L190 WeakPolarHBondContact O-CG 3.5Å; D186-L190 PolarHBondContact O-N 3Å; D186-T285 HydrophobicContact CB-CG2 3.53Å; D186-T285 VanDerWaalsContact CG-CG2 3.45Å; D186-T285 WeakPolarHBondContact OD1-CG2 3.36Å; D186-T285 PolarHBondContact OD1-OG1 3.45Å
187T91.2Very high86.1Confident100 Ų10059.5 Ų59.561%0.61332%0.317SS*.Hα-helixtrans-64.2-42.7178.3-50.30000111.7N185 L190 M191N185-T187 PolarHBondContact O-N 3.12Å; N185-T187 PolarHBondContact OD1-N 3.38Å; N185-T187 VanDerWaalsContact OD1-N 3.1Å; T187-L190 PolarHBondContact O-N 2.72Å; T187-M191 WeakPolarHBondContact O-CB 3.28Å; T187-M191 VanDerWaalsContact O-CG 3.31Å; T187-M191 WeakPolarHBondContact O-CG 3.02Å; T187-M191 PolarHBondContact O-N 2.73Å
188E91.2Very high87.8Confident49 Ų4952.4 Ų52.423%0.22929%0.29CS..Hα-helixtrans-63.4-41.8177.4-73171155.200111.5R182 C184 N185 M191 A192R182-E188 IonicContact CZ-OE1 3.47Å; R182-E188 IonicContact CZ-OE2 3.76Å; R182-E188 IonicContact NH1-OE1 2.72Å; R182-E188 PolarHBondContact NH1-OE1 2.79Å; R182-E188 IonicContact NH1-OE2 3.77Å; R182-E188 PolarHBondContact NH1-OE2 2.87Å; R182-E188 IonicContact NH2-OE1 2.86Å; R182-E188 PolarHBondContact NH2-OE1 3.48Å; R182-E188 IonicContact NH2-OE2 3.08Å; C184-E188 WeakPolarHBondContact CA-OE2 3.35Å; C184-E188 HydrophobicContact CB-CB 3.9Å; N185-E188 PolarHBondContact N-OE2 3.47Å; N185-E188 PolarHBondContact ND2-OE2 3.46Å; N185-E188 PolarHBondContact O-N 2.69Å; N185-E188 WeakPolarHBondContact OD1-CB 3.35Å; N185-E188 WeakPolarHBondContact OD1-CG 3.32Å; N185-E188 PolarHBondContact OD1-N 3.13Å; E188-M191 PolarHBondContact O-N 2.69Å; E188-A192 WeakPolarHBondContact O-CB 3.3Å; E188-A192 PolarHBondContact O-N 2.94Å
189I93.1Very high89.5Confident12 Ų1246.9 Ų46.96%0.06226%0.264CS..Hα-helixtrans-61.2-49.3176.3-69165.1000110.3C184 N185 D186 M191 A192 V193 P277 F282C184-I189 HydrophobicContact CB-CD1 4.49Å; C184-I189 HydrophobicContact CB-CG1 3.75Å; N185-I189 VanDerWaalsContact O-CG1 3.28Å; N185-I189 WeakPolarHBondContact O-CG1 3.29Å; N185-I189 PolarHBondContact O-N 2.7Å; D186-I189 PolarHBondContact O-N 3.14Å; I189-M191 PolarHBondContact O-N 2.8Å; I189-A192 PolarHBondContact O-N 3.05Å; I189-V193 WeakPolarHBondContact O-CG2 3.01Å; I189-V193 PolarHBondContact O-N 3.3Å; I189-P277 HydrophobicContact CD1-CB 3.85Å; I189-P277 HydrophobicContact CD1-CG 4.04Å; I189-P277 HydrophobicContact CG1-CB 4.43Å; I189-P277 HydrophobicContact CG1-CG 4.1Å; I189-P277 HydrophobicContact CG2-CG 4.04Å; I189-F282 HydrophobicContact CG2-CD2 3.55Å; I189-F282 HydrophobicContact CG2-CE2 4.24Å; I189-F282 HydrophobicContact CG2-CG 4.49Å
190L93.9Very high90.9Very high19 Ų1943.4 Ų43.410%0.09925%0.246CC..Hα-helixtrans-61.7-42.9-179.9-68172.1000111.6D186 T187 C194 T285 Y286 A289 P296D186-L190 VanDerWaalsContact O-CG 3.26Å; D186-L190 WeakPolarHBondContact O-CG 3.5Å; D186-L190 PolarHBondContact O-N 3Å; T187-L190 PolarHBondContact O-N 2.72Å; L190-C194 PolarHBondContact O-SG 3.19Å; L190-C194 VanDerWaalsContact O-SG 3.41Å; L190-T285 HydrophobicContact CD1-CG2 4.29Å; L190-T285 HydrophobicContact CD2-CG2 4.43Å; L190-T285 HydrophobicContact CG-CG2 4.25Å; L190-Y286 HydrophobicContact CD2-CD2 3.85Å; L190-A289 HydrophobicContact CD1-CB 3.64Å; L190-A289 HydrophobicContact CD2-CB 4.32Å; L190-P296 HydrophobicContact CB-CG 4Å; L190-P296 WeakPolarHBondContact O-CG 3.46Å
191M92.5Very high92Very high88 Ų8845.7 Ų45.743%0.43325%0.251SS..Hα-helixtrans-69.9-35.2177-70.7-58.8-63.600113.2T187 E188 I189 V193 C194 T195 P296T187-M191 WeakPolarHBondContact O-CB 3.28Å; T187-M191 VanDerWaalsContact O-CG 3.31Å; T187-M191 WeakPolarHBondContact O-CG 3.02Å; T187-M191 PolarHBondContact O-N 2.73Å; E188-M191 PolarHBondContact O-N 2.69Å; I189-M191 PolarHBondContact O-N 2.8Å; M191-V193 VanDerWaalsContact C-N 3.34Å; M191-V193 PolarHBondContact O-N 2.86Å; M191-C194 PolarHBondContact O-N 3.47Å; M191-C194 VanDerWaalsContact O-N 3.13Å; M191-T195 HydrophobicContact CE-CG2 4.42Å; M191-T195 PolarHBondContact O-N 3.43Å; M191-T195 PolarHBondContact O-OG1 3.11Å; M191-P296 HydrophobicContact SD-CB 3.51Å; M191-P296 VanDerWaalsContact SD-CB 3.51Å; M191-P296 HydrophobicContact SD-CG 3.71Å
192A91.4Very high92.6Very high11 Ų1143.8 Ų43.89%0.09124%0.237CC..Hα-helixtrans-62.6-42.2177.900000111E188 I189 C194 T195 S196 T263 C275E188-A192 WeakPolarHBondContact O-CB 3.3Å; E188-A192 PolarHBondContact O-N 2.94Å; I189-A192 PolarHBondContact O-N 3.05Å; A192-C194 PolarHBondContact O-N 2.81Å; A192-C194 VanDerWaalsContact O-N 3.13Å; A192-T195 PolarHBondContact O-N 3.5Å; A192-S196 WeakPolarHBondContact O-CB 3.41Å; A192-S196 PolarHBondContact O-N 3.34Å; A192-S196 PolarHBondContact O-OG 2.87Å; A192-T263 HydrophobicContact CB-CG2 4.43Å; A192-C275 HydrophobicContact CB-CB 4.46Å
193V93.7Very high93Very high5 Ų541.7 Ų41.73%0.0323%0.234CC..Hα-helixtrans-54.8-35174.31710000112I189 M191 R227 L261 T263 F282 L299I189-V193 WeakPolarHBondContact O-CG2 3.01Å; I189-V193 PolarHBondContact O-N 3.3Å; M191-V193 VanDerWaalsContact C-N 3.34Å; M191-V193 PolarHBondContact O-N 2.86Å; V193-R227 PolarHBondContact O-NH2 2.83Å; V193-L261 HydrophobicContact CG2-CD2 3.79Å; V193-T263 HydrophobicContact CG2-CG2 4.37Å; V193-F282 HydrophobicContact CG2-CE2 3.74Å; V193-F282 HydrophobicContact CG2-CZ 4.05Å; V193-L299 HydrophobicContact CG1-CB 3.96Å; V193-L299 HydrophobicContact CG1-CD1 3.81Å; V193-L299 HydrophobicContact CG1-CD2 3.82Å; V193-L299 HydrophobicContact CG1-CG 4.07Å
194C91.2Very high93.3Very high28 Ų2837.3 Ų37.319%0.18920%0.204CC..Hα-helixtrans-86-30.9-177.8-53.20000113.6L190 M191 A192 R227 P296 C297L190-C194 PolarHBondContact O-SG 3.19Å; L190-C194 VanDerWaalsContact O-SG 3.41Å; M191-C194 PolarHBondContact O-N 3.47Å; M191-C194 VanDerWaalsContact O-N 3.13Å; A192-C194 PolarHBondContact O-N 2.81Å; A192-C194 VanDerWaalsContact O-N 3.13Å; C194-R227 PolarHBondContact O-NH1 2.98Å; C194-P296 VanDerWaalsContact SG-CG 3.58Å; C194-C297 WeakPolarHBondContact CA-SG 3.26Å; C194-C297 HydrophobicContact CB-CB 3.85Å; C194-C297 WeakPolarHBondContact CB-SG 3.19Å; C194-C297 WeakPolarHBondContact SG-CB 3.44Å; C194-C297 PolarHBondContact SG-N 2.68Å; C194-C297 CovalentContact SG-SG 2.02Å; C194-C297 PolarHBondContact SG-SG 3.34Å
195T89.7Confident93.4Very high71 Ų7140 Ų4044%0.43621%0.213SC..Hα-helixtrans-111.1-10.7-167.762.90000114.6M191 A192 R265M191-T195 HydrophobicContact CE-CG2 4.42Å; M191-T195 PolarHBondContact O-N 3.43Å; M191-T195 PolarHBondContact O-OG1 3.11Å; A192-T195 PolarHBondContact O-N 3.5Å; T195-R265 PolarHBondContact O-NH1 3.1Å
196S91.4Very high93.6Very high8 Ų838 Ų386%0.05621%0.205CC..  trans-67.3151.1179.9-77.40000114A192 F198 R227 G264A192-S196 WeakPolarHBondContact O-CB 3.41Å; A192-S196 PolarHBondContact O-N 3.34Å; A192-S196 PolarHBondContact O-OG 2.87Å; S196-F198 WeakPolarHBondContact CB-O 3.19Å; S196-F198 PolarHBondContact O-N 3.33Å; S196-R227 VanDerWaalsContact N-NH2 3.14Å; S196-R227 PolarHBondContact O-NE 2.77Å; S196-R227 PolarHBondContact O-NH2 2.8Å; S196-G264 CarbonylContact C-O 3.41Å; S196-G264 VanDerWaalsContact CA-O 3.24Å; S196-G264 WeakPolarHBondContact CA-O 3.19Å; S196-G264 WeakPolarHBondContact CB-O 3.23Å; S196-G264 PolarHBondContact OG-N 2.84Å; S196-G264 VanDerWaalsContact OG-N 3.16Å; S196-G264 PolarHBondContact OG-O 3.19Å
197D92.4Very high93.6Very high33 Ų3335.2 Ų35.218%0.17619%0.191CC..SBendtrans-71.9-24.5172.2-64.6-39.9000111.1R161 Q228 K229 G264 R265 V266R161-D197 IonicContact NH2-OD2 3.13Å; R161-D197 PolarHBondContact NH2-OD2 3Å; D197-Q228 CarbonylContact O-C 3.6Å; D197-Q228 WeakPolarHBondContact O-CA 3.19Å; D197-K229 HydrophobicContact CB-CB 4.04Å; D197-K229 PolarHBondContact O-N 2.03Å; D197-G264 PolarHBondContact N-O 2.91Å; D197-R265 VanDerWaalsContact OD2-CA 3.31Å; D197-R265 WeakPolarHBondContact OD2-CA 3.43Å; D197-R265 WeakPolarHBondContact OD2-CB 3.49Å; D197-R265 WeakPolarHBondContact OD2-CD 3.34Å; D197-V266 HydrophobicContact CB-CB 4.31Å; D197-V266 HydrophobicContact CB-CG2 3.82Å; D197-V266 PolarHBondContact OD2-N 2.94Å
198F95.6Very high93.8Very high0 Ų034.8 Ų34.80%018%0.182CC..EExtended strand (participates in β ladder)trans-139.1149.3174.167.7-88.7000112.5S196 V200 R227 Q228 L232 F233 V245 F262 T263 G264 A271S196-F198 WeakPolarHBondContact CB-O 3.19Å; S196-F198 PolarHBondContact O-N 3.33Å; F198-V200 HydrophobicContact CD2-CG2 4.32Å; F198-R227 CarbonylContact C-O 3.56Å; F198-R227 VanDerWaalsContact CA-O 3.25Å; F198-R227 WeakPolarHBondContact CA-O 3.48Å; F198-Q228 HydrophobicContact CB-CB 4.16Å; F198-L232 HydrophobicContact CB-CD1 3.98Å; F198-L232 HydrophobicContact CD1-CD1 3.96Å; F198-L232 HydrophobicContact CG-CD1 4.19Å; F198-F233 HydrophobicContact CD2-CE2 4.27Å; F198-V245 HydrophobicContact CE2-CG2 4.35Å; F198-V245 HydrophobicContact CZ-CG1 4.11Å; F198-F262 HydrophobicContact CE2-CB 4.17Å; F198-T263 WeakPolarHBondContact O-CA 3.49Å; F198-G264 VanDerWaalsContact CE1-CA 3.44Å; F198-G264 VanDerWaalsContact CZ-CA 3.48Å; F198-G264 PolarHBondContact O-N 3.03Å; F198-A271 HydrophobicContact CD1-CB 4.13Å; F198-A271 HydrophobicContact CE1-CB 3.64Å; F198-A271 HydrophobicContact CZ-CB 3.97Å
199V96.4Very high93.8Very high1 Ų138.9 Ų38.91%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-141.4112175.6-177.60000107.7F226 R227 L261 F262 T263 L299V199-F226 HydrophobicContact CB-CB 4.21Å; V199-F226 HydrophobicContact CG1-CB 4.13Å; V199-F226 HydrophobicContact CG1-CD2 3.99Å; V199-F226 HydrophobicContact CG1-CG 4.39Å; V199-F226 WeakPolarHBondContact O-CB 3.21Å; V199-F226 PolarHBondContact O-N 3.19Å; V199-R227 HydrophobicContact CB-CB 4.41Å; V199-R227 VanDerWaalsContact CG2-NH2 3.34Å; V199-R227 PolarHBondContact N-O 3.37Å; V199-R227 PolarHBondContact O-N 3.2Å; V199-L261 HydrophobicContact CG1-CD1 3.94Å; V199-L261 HydrophobicContact CG1-CG 4.43Å; V199-F262 WeakPolarHBondContact CA-O 3.47Å; V199-T263 HydrophobicContact CG1-CG2 4.2Å; V199-T263 HydrophobicContact CG2-CG2 4.28Å; V199-L299 HydrophobicContact CG1-CD1 4.39Å
200V96.2Very high93.3Very high0 Ų040.4 Ų40.40%021%0.209CC..EExtended strand (participates in β ladder)trans-138.1129.1-169178.90000110.7F198 A222 V225 F233 L261 F262F198-V200 HydrophobicContact CD2-CG2 4.32Å; V200-A222 HydrophobicContact CG1-CB 3.44Å; V200-A222 VanDerWaalsContact CG1-CB 3.44Å; V200-V225 HydrophobicContact CG1-CG2 4.3Å; V200-V225 HydrophobicContact CG2-CB 4.49Å; V200-V225 HydrophobicContact CG2-CG1 4.19Å; V200-V225 HydrophobicContact CG2-CG2 4.22Å; V200-F233 HydrophobicContact CB-CE2 4.32Å; V200-F233 HydrophobicContact CB-CZ 4.27Å; V200-F233 HydrophobicContact CG1-CD1 4.22Å; V200-F233 HydrophobicContact CG1-CE1 4.03Å; V200-F233 HydrophobicContact CG1-CE2 4.48Å; V200-F233 HydrophobicContact CG1-CZ 4.17Å; V200-F233 HydrophobicContact CG2-CD2 3.77Å; V200-F233 HydrophobicContact CG2-CE2 3.65Å; V200-F233 HydrophobicContact CG2-CG 4.34Å; V200-F233 HydrophobicContact CG2-CZ 4.09Å; V200-L261 CarbonylContact O-C 3.59Å; V200-F262 PolarHBondContact N-O 2.9Å; V200-F262 PolarHBondContact O-N 3.06Å
201R95.9Very high92.3Very high67 Ų6746 Ų4625%0.25324%0.235SC..EExtended strand (participates in β ladder)trans-88.4131.7166-178.6-172.9175.4179.9-3.1108.9A222 T223 R224 F226 S259 F260 Y279 D302R201-A222 CarbonylContact O-C 3.41Å; R201-A222 WeakPolarHBondContact O-CA 3.43Å; R201-T223 WeakPolarHBondContact CG-OG1 3.12Å; R201-T223 PolarHBondContact O-N 2.96Å; R201-T223 PolarHBondContact O-OG1 3.31Å; R201-R224 HydrophobicContact CB-CB 4.25Å; R201-R224 PolarHBondContact N-O 2.8Å; R201-R224 PolarHBondContact O-N 2.64Å; R201-R224 VanDerWaalsContact O-N 3.13Å; R201-F226 HydrophobicContact CB-CE2 3.88Å; R201-S259 WeakPolarHBondContact CG-OG 3.27Å; R201-F260 WeakPolarHBondContact CA-O 3.4Å; R201-Y279 HydrophobicContact CB-CD2 4.29Å; R201-Y279 HydrophobicContact CB-CE2 4.31Å; R201-Y279 HydrophobicContact CG-CD2 3.82Å; R201-Y279 HydrophobicContact CG-CE2 4.08Å; R201-Y279 HydrophobicContact CG-CG 4.06Å; R201-Y279 VanDerWaalsContact CZ-CE1 3.48Å; R201-D302 IonicContact NH1-OD2 2.75Å; R201-D302 PolarHBondContact NH1-OD2 2.74Å; R201-D302 VanDerWaalsContact NH1-OD2 3.16Å
202G95.3Very high91.3Very high0 Ų045.8 Ų45.80%024%0.239CC..EExtended strand (participates in β ladder)trans-168.7-170.2-179.800000114.3S221 S259 F260G202-S221 CarbonylContact C-O 3.44Å; G202-S221 WeakPolarHBondContact CA-O 3.04Å; G202-S259 CarbonylContact O-C 3.57Å; G202-S259 WeakPolarHBondContact O-CA 3.41Å; G202-S259 PolarHBondContact O-OG 2.95Å; G202-F260 PolarHBondContact N-O 2.59Å; G202-F260 PolarHBondContact O-N 2.8Å
203N95.6Very high90.3Very high58 Ų5847.2 Ų47.231%0.3125%0.245SC..EExtended strand (participates in β ladder)trans-128.7145.3-179.6-59.181.7000109.5Q205 V220 S221 G258N203-Q205 PolarHBondContact O-N 2.72Å; N203-V220 WeakPolarHBondContact O-CA 3.42Å; N203-S221 PolarHBondContact N-O 3.23Å; N203-S221 PolarHBondContact O-N 2.88Å; N203-G258 PolarHBondContact ND2-O 2.8Å
204I95.9Very high89.6Confident29 Ų2954.1 Ų54.115%0.14927%0.27CS..EExtended strand (participates in β ladder)trans-77.3121.6175.3-56.8172.4000108.2V207 I218 P255 F260 F262I204-V207 HydrophobicContact CG2-CG2 3.96Å; I204-I218 HydrophobicContact CB-CG2 4.42Å; I204-I218 HydrophobicContact CD1-CG2 4.46Å; I204-I218 HydrophobicContact CG1-CG2 3.99Å; I204-I218 HydrophobicContact CG2-CG2 3.84Å; I204-P255 HydrophobicContact CG2-CB 4.39Å; I204-F260 HydrophobicContact CD1-CD2 4.32Å; I204-F260 HydrophobicContact CD1-CE2 4.02Å; I204-F260 HydrophobicContact CD1-CZ 4.35Å; I204-F260 HydrophobicContact CG1-CD2 4.24Å; I204-F260 HydrophobicContact CG1-CE2 4.25Å; I204-F262 HydrophobicContact CG1-CE1 4.47Å; I204-F262 HydrophobicContact CG1-CZ 3.85Å
205Q93.9Very high89.4Confident91 Ų9152.8 Ų52.843%0.42526%0.261SS..EExtended strand (participates in β ladder)trans-88.4-50.2174.4-66.3-173.9-2000110.9N203 K219 S221N203-Q205 PolarHBondContact O-N 2.72Å; Q205-K219 HydrophobicContact CB-CB 4.38Å; Q205-K219 PolarHBondContact N-O 2.93Å; Q205-S221 VanDerWaalsContact NE2-CB 3.29Å; Q205-S221 PolarHBondContact NE2-OG 2.93Å
206S94.6Very high89.5Confident37 Ų3749.5 Ų49.526%0.25924%0.242SC..EExtended strand (participates in β ladder)trans-154.7166.1176.563.10000110.4K219S206-K219 PolarHBondContact O-N 3.06Å; S206-K219 WeakPolarHBondContact OG-CD 3.21Å
207V95.4Very high89.6Confident33 Ų3349.6 Ų49.620%0.224%0.242CC..EExtended strand (participates in β ladder)trans-128.3126.7171.8-176.40000106.8I204 A216 V217 I218 V253 P255I204-V207 HydrophobicContact CG2-CG2 3.96Å; V207-A216 HydrophobicContact CG1-CB 4.1Å; V207-V217 WeakPolarHBondContact CA-O 3.46Å; V207-I218 HydrophobicContact CG2-CG1 4.41Å; V207-I218 HydrophobicContact CG2-CG2 4.4Å; V207-V253 HydrophobicContact CG2-CG1 4.25Å; V207-P255 HydrophobicContact CB-CG 4.37Å; V207-P255 HydrophobicContact CG2-CG 4.06Å
208E94.1Very high89.8Confident90 Ų9048.2 Ų48.242%0.42123%0.234SC..EExtended strand (participates in β ladder)trans-116.9142.7177.7-74166.2-160.100108.9A216 V217 K219E208-A216 CarbonylContact O-C 3.57Å; E208-V217 PolarHBondContact N-O 3.17Å; E208-V217 PolarHBondContact O-N 3.5Å; E208-K219 VanDerWaalsContact OE1-CE 3.32Å; E208-K219 WeakPolarHBondContact OE1-CE 3.07Å; E208-K219 IonicContact OE1-NZ 3.36Å; E208-K219 PolarHBondContact OE1-NZ 3.27Å; E208-K219 VanDerWaalsContact OE2-CE 3.22Å; E208-K219 WeakPolarHBondContact OE2-CE 3.38Å; E208-K219 IonicContact OE2-NZ 3.6Å; E208-K219 PolarHBondContact OE2-NZ 3.16Å
209E91.1Very high89.8Confident136 Ų13651 Ų5164%0.63625%0.247SC*.EExtended strand (participates in β ladder)trans-96.6127178.5-64.4-175.217700109.3L249E209-L249 HydrophobicContact CB-CD2 3.67Å; E209-L249 HydrophobicContact CG-CD2 3.59Å
210D82.6Confident89.8Confident43 Ų4351 Ų5123%0.2325%0.247CC..EExtended strand (participates in β ladder)trans-105.497.5173.3-172.8-28.1000108.9T212 L213 R214 A215 V217D210-T212 PolarHBondContact O-N 3.4Å; D210-T212 WeakPolarHBondContact OD1-CA 3.41Å; D210-T212 WeakPolarHBondContact OD1-CB 3.25Å; D210-T212 PolarHBondContact OD1-N 3.31Å; D210-T212 PolarHBondContact OD1-OG1 3.08Å; D210-L213 HydrophobicContact CB-CB 4.28Å; D210-L213 PolarHBondContact O-N 3.38Å; D210-L213 PolarHBondContact OD1-N 2.96Å; D210-L213 VanDerWaalsContact OD2-CD1 3.32Å; D210-L213 WeakPolarHBondContact OD2-CD1 3.42Å; D210-L213 WeakPolarHBondContact OD2-CG 3.35Å; D210-R214 WeakPolarHBondContact O-CA 3.37Å; D210-R214 PolarHBondContact O-N 3.41Å; D210-A215 PolarHBondContact N-O 3.4Å; D210-A215 PolarHBondContact O-N 2.81Å; D210-A215 VanDerWaalsContact O-N 3.09Å; D210-V217 HydrophobicContact CB-CG2 4.2Å
211E73.6Confident89.7Confident136 Ų13652 Ų5264%0.63625%0.254SS*.THydrogen-bonded Turntrans-62.3-28.5179-68.6-66.5175.900112.7
212T71.9Confident89.6Confident85 Ų8549 Ų4952%0.52124%0.243SC..THydrogen-bonded Turntrans-72.7-40.5-179.573.50000111.2R125 D210R125-T212 VanDerWaalsContact CZ-O 3.27Å; R125-T212 PolarHBondContact NE-O 2.71Å; R125-T212 PolarHBondContact NH2-O 3.17Å; D210-T212 PolarHBondContact O-N 3.4Å; D210-T212 WeakPolarHBondContact OD1-CA 3.41Å; D210-T212 WeakPolarHBondContact OD1-CB 3.25Å; D210-T212 PolarHBondContact OD1-N 3.31Å; D210-T212 PolarHBondContact OD1-OG1 3.08Å
213L69.1Low89.5Confident40 Ų4052.8 Ų52.821%0.20927%0.266CS..THydrogen-bonded Turntrans-87.7-9.4177.2-63.3-178.4000112.9D210 A215D210-L213 HydrophobicContact CB-CB 4.28Å; D210-L213 PolarHBondContact O-N 3.38Å; D210-L213 PolarHBondContact OD1-N 2.96Å; D210-L213 VanDerWaalsContact OD2-CD1 3.32Å; D210-L213 WeakPolarHBondContact OD2-CD1 3.42Å; D210-L213 WeakPolarHBondContact OD2-CG 3.35Å; L213-A215 HydrophobicContact CB-CB 3.98Å; L213-A215 PolarHBondContact O-N 3.41Å
214R80Confident89.4Confident150 Ų15053.9 Ų53.957%0.56627%0.266SS*.THydrogen-bonded Turntrans49.539.2-167-67.8-176.5176.9171.3-3.9111.8D210 L249D210-R214 WeakPolarHBondContact O-CA 3.37Å; D210-R214 PolarHBondContact O-N 3.41Å; R214-L249 VanDerWaalsContact CA-CD1 3.43Å; R214-L249 HydrophobicContact CB-CD1 4.18Å; R214-L249 WeakPolarHBondContact O-CG 3.37Å; R214-L249 PolarHBondContact O-N 3Å
215A86.1Confident89.3Confident0 Ų054.7 Ų54.70%027%0.272CS..EExtended strand (participates in β ladder)trans-123.8145.7-176.100000112.2D210 L213 T247 L249 W272D210-A215 PolarHBondContact N-O 3.4Å; D210-A215 PolarHBondContact O-N 2.81Å; D210-A215 VanDerWaalsContact O-N 3.09Å; L213-A215 HydrophobicContact CB-CB 3.98Å; L213-A215 PolarHBondContact O-N 3.41Å; A215-T247 CarbonylContact C-O 3.59Å; A215-T247 VanDerWaalsContact CA-O 3.24Å; A215-T247 WeakPolarHBondContact CA-O 3.43Å; A215-T247 WeakPolarHBondContact CB-O 3.36Å; A215-L249 VanDerWaalsContact C-CD2 3.47Å; A215-L249 WeakPolarHBondContact O-CD2 3.32Å; A215-W272 HydrophobicContact CB-CH2 4.01Å; A215-W272 HydrophobicContact CB-CZ3 4.46Å
216A91.4Very high89.3Confident3 Ų352.2 Ų52.23%0.02526%0.26CS..EExtended strand (participates in β ladder)trans-89.6125165.700000109.2V207 E208 R246 T247 L249V207-A216 HydrophobicContact CG1-CB 4.1Å; E208-A216 CarbonylContact O-C 3.57Å; A216-R246 CarbonylContact O-C 3.54Å; A216-R246 WeakPolarHBondContact O-CA 3.5Å; A216-T247 HydrophobicContact CB-CG2 3.98Å; A216-T247 PolarHBondContact N-O 3.49Å; A216-T247 PolarHBondContact O-N 2.92Å; A216-L249 HydrophobicContact CB-CD2 4.13Å
217V94.8Very high89.2Confident10 Ų1054.8 Ų54.86%0.06126%0.264CS..EExtended strand (participates in β ladder)trans-98.6109178.8-173.30000109.2V207 E208 D210 E244 R246V207-V217 WeakPolarHBondContact CA-O 3.46Å; E208-V217 PolarHBondContact N-O 3.17Å; E208-V217 PolarHBondContact O-N 3.5Å; D210-V217 HydrophobicContact CB-CG2 4.2Å; V217-E244 HydrophobicContact CG1-CB 4.04Å; V217-E244 HydrophobicContact CG1-CG 4.14Å; V217-R246 HydrophobicContact CG2-CG 4.3Å
218I95.7Very high89.1Confident3 Ų356.2 Ų56.22%0.01527%0.269CS..EExtended strand (participates in β ladder)trans-90.7113.5178.9-50169000108.1I204 V207 V220 E244 V245 T247 V253 L273I204-I218 HydrophobicContact CB-CG2 4.42Å; I204-I218 HydrophobicContact CD1-CG2 4.46Å; I204-I218 HydrophobicContact CG1-CG2 3.99Å; I204-I218 HydrophobicContact CG2-CG2 3.84Å; V207-I218 HydrophobicContact CG2-CG1 4.41Å; V207-I218 HydrophobicContact CG2-CG2 4.4Å; I218-V220 HydrophobicContact CB-CG2 4.43Å; I218-V220 HydrophobicContact CG2-CG2 3.79Å; I218-V220 PolarHBondContact O-N 3.4Å; I218-E244 WeakPolarHBondContact O-CA 3.36Å; I218-V245 WeakPolarHBondContact CB-O 3.3Å; I218-V245 PolarHBondContact N-O 3.35Å; I218-V245 PolarHBondContact O-N 2.86Å; I218-T247 HydrophobicContact CD1-CG2 4.18Å; I218-V253 HydrophobicContact CD1-CG1 3.9Å; I218-V253 HydrophobicContact CG1-CG1 4.17Å; I218-L273 HydrophobicContact CD1-CD2 4.27Å
219K95.8Very high88.9Confident59 Ų5955.3 Ų55.326%0.25726%0.263SS..EExtended strand (participates in β ladder)trans-80.5117.8172.1-66.1-170.2178.7164.30109.1Q205 S206 E208Q205-K219 HydrophobicContact CB-CB 4.38Å; Q205-K219 PolarHBondContact N-O 2.93Å; S206-K219 PolarHBondContact O-N 3.06Å; S206-K219 WeakPolarHBondContact OG-CD 3.21Å; E208-K219 VanDerWaalsContact OE1-CE 3.32Å; E208-K219 WeakPolarHBondContact OE1-CE 3.07Å; E208-K219 IonicContact OE1-NZ 3.36Å; E208-K219 PolarHBondContact OE1-NZ 3.27Å; E208-K219 VanDerWaalsContact OE2-CE 3.22Å; E208-K219 WeakPolarHBondContact OE2-CE 3.38Å; E208-K219 IonicContact OE2-NZ 3.6Å; E208-K219 PolarHBondContact OE2-NZ 3.16Å
220V96.1Very high88.7Confident1 Ų154.2 Ų54.21%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-114.9128.9-171.9176.30000110.5N203 I218 F233 R242 G243 V245 F262N203-V220 WeakPolarHBondContact O-CA 3.42Å; I218-V220 HydrophobicContact CB-CG2 4.43Å; I218-V220 HydrophobicContact CG2-CG2 3.79Å; I218-V220 PolarHBondContact O-N 3.4Å; V220-F233 HydrophobicContact CB-CE1 3.96Å; V220-F233 HydrophobicContact CG1-CE1 3.91Å; V220-R242 WeakPolarHBondContact O-CA 3.06Å; V220-G243 PolarHBondContact N-O 2.82Å; V220-G243 PolarHBondContact O-N 3.09Å; V220-G243 VanDerWaalsContact O-N 3.12Å; V220-V245 HydrophobicContact CG2-CG2 4.12Å; V220-F262 HydrophobicContact CB-CE2 4.46Å; V220-F262 HydrophobicContact CG1-CD2 3.83Å; V220-F262 HydrophobicContact CG1-CE2 3.58Å; V220-F262 HydrophobicContact CG1-CZ 4.22Å; V220-F262 HydrophobicContact CG2-CD1 4.36Å; V220-F262 HydrophobicContact CG2-CD2 4.35Å; V220-F262 HydrophobicContact CG2-CE1 3.96Å; V220-F262 HydrophobicContact CG2-CE2 3.95Å; V220-F262 HydrophobicContact CG2-CZ 3.74Å
221S94.9Very high89Confident21 Ų2157.8 Ų57.815%0.14728%0.278CS..EExtended strand (participates in β ladder)trans-88.1104.2164.1-1560000108.5G202 N203 Q205 T223G202-S221 CarbonylContact C-O 3.44Å; G202-S221 WeakPolarHBondContact CA-O 3.04Å; N203-S221 PolarHBondContact N-O 3.23Å; N203-S221 PolarHBondContact O-N 2.88Å; Q205-S221 VanDerWaalsContact NE2-CB 3.29Å; Q205-S221 PolarHBondContact NE2-OG 2.93Å; S221-T223 PolarHBondContact O-N 2.74Å
222A94.6Very high89.9Confident3 Ų352.5 Ų52.53%0.02525%0.254CS..EExtended strand (participates in β ladder)trans-76.9121.8176.700000110.5V200 R201 V225 F233 A240 S241V200-A222 HydrophobicContact CG1-CB 3.44Å; V200-A222 VanDerWaalsContact CG1-CB 3.44Å; R201-A222 CarbonylContact O-C 3.41Å; R201-A222 WeakPolarHBondContact O-CA 3.43Å; A222-V225 HydrophobicContact CB-CG2 4.17Å; A222-F233 HydrophobicContact CB-CD1 3.74Å; A222-F233 HydrophobicContact CB-CE1 4.31Å; A222-F233 HydrophobicContact CB-CG 4.41Å; A222-A240 WeakPolarHBondContact O-CA 3.35Å; A222-A240 WeakPolarHBondContact O-CB 3.41Å; A222-S241 WeakPolarHBondContact CA-O 3.41Å; A222-S241 WeakPolarHBondContact CB-O 3.21Å; A222-S241 PolarHBondContact N-O 3.17Å; A222-S241 PolarHBondContact O-N 2.78Å
223T92.9Very high90.8Very high81 Ų8148.7 Ų48.750%0.49723%0.23SC..EExtended strand (participates in β ladder)trans-88.6-28.4171.451.60000111.2R201 S221R201-T223 WeakPolarHBondContact CG-OG1 3.12Å; R201-T223 PolarHBondContact O-N 2.96Å; R201-T223 PolarHBondContact O-OG1 3.31Å; S221-T223 PolarHBondContact O-N 2.74Å
224R92.7Very high91.7Very high80 Ų8051 Ų5130%0.30225%0.246SC..EExtended strand (participates in β ladder)trans-152.3131.5173.7-171.5171.9-178.9-179.6-1.8111.4R201 F226 P300 D302R201-R224 HydrophobicContact CB-CB 4.25Å; R201-R224 PolarHBondContact N-O 2.8Å; R201-R224 PolarHBondContact O-N 2.64Å; R201-R224 VanDerWaalsContact O-N 3.13Å; R224-F226 HydrophobicContact CG-CE1 4.3Å; R224-F226 HydrophobicContact CG-CE2 4.46Å; R224-F226 HydrophobicContact CG-CZ 4.27Å; R224-P300 VanDerWaalsContact CZ-O 3.28Å; R224-P300 PolarHBondContact NH1-O 3.24Å; R224-P300 PolarHBondContact NH2-O 3.32Å; R224-D302 IonicContact CZ-OD1 2.81Å; R224-D302 IonicContact NH1-OD1 3.16Å; R224-D302 PolarHBondContact NH1-OD1 3.39Å; R224-D302 IonicContact NH1-OD2 2.63Å; R224-D302 PolarHBondContact NH1-OD2 3.32Å; R224-D302 VanDerWaalsContact NH1-OD2 3.13Å
225V93.4Very high91.7Very high47 Ų4746 Ų4629%0.28524%0.241SC..EExtended strand (participates in β ladder)trans-102.5113.4172178.50000107.7V200 A222 Q228 F233V200-V225 HydrophobicContact CG1-CG2 4.3Å; V200-V225 HydrophobicContact CG2-CB 4.49Å; V200-V225 HydrophobicContact CG2-CG1 4.19Å; V200-V225 HydrophobicContact CG2-CG2 4.22Å; A222-V225 HydrophobicContact CB-CG2 4.17Å; V225-Q228 HydrophobicContact CG1-CB 4.19Å; V225-Q228 HydrophobicContact CG1-CG 3.79Å; V225-F233 HydrophobicContact CG2-CB 4.05Å
226F93.5Very high90.5Very high39 Ų3950.7 Ų50.717%0.17127%0.274CS..EExtended strand (participates in β ladder)trans-85.1-38.2176.9-60.7-87000111.4V199 R201 R224 L261 Y279 L299 P300V199-F226 HydrophobicContact CB-CB 4.21Å; V199-F226 HydrophobicContact CG1-CB 4.13Å; V199-F226 HydrophobicContact CG1-CD2 3.99Å; V199-F226 HydrophobicContact CG1-CG 4.39Å; V199-F226 WeakPolarHBondContact O-CB 3.21Å; V199-F226 PolarHBondContact O-N 3.19Å; R201-F226 HydrophobicContact CB-CE2 3.88Å; R224-F226 HydrophobicContact CG-CE1 4.3Å; R224-F226 HydrophobicContact CG-CE2 4.46Å; R224-F226 HydrophobicContact CG-CZ 4.27Å; F226-L261 HydrophobicContact CD2-CD1 4.24Å; F226-L261 HydrophobicContact CE2-CD1 3.89Å; F226-Y279 HydrophobicContact CE2-CE2 4.41Å; F226-Y279 HydrophobicContact CZ-CE2 4.25Å; F226-L299 HydrophobicContact CB-CD1 3.77Å; F226-L299 HydrophobicContact CD1-CD1 3.88Å; F226-L299 HydrophobicContact CD1-CD2 4.3Å; F226-L299 HydrophobicContact CD1-CG 3.99Å; F226-L299 HydrophobicContact CE1-CD2 4.32Å; F226-L299 HydrophobicContact CE1-CG 4.29Å; F226-L299 HydrophobicContact CG-CD1 3.89Å; F226-L299 HydrophobicContact CG-CD2 4.41Å; F226-L299 HydrophobicContact CG-CG 4.35Å; F226-L299 HydrophobicContact CZ-CD2 4.45Å; F226-P300 HydrophobicContact CD1-CG 4.26Å; F226-P300 WeakPolarHBondContact CE1-O 3.5Å
227R92.9Very high89.1Confident90 Ų9054.3 Ų54.334%0.3431%0.311SS..EExtended strand (participates in β ladder)trans-153.5144.6177.1-179.7175.963.8-160.6-11.5109.7V193 C194 S196 F198 V199V193-R227 PolarHBondContact O-NH2 2.83Å; C194-R227 PolarHBondContact O-NH1 2.98Å; S196-R227 VanDerWaalsContact N-NH2 3.14Å; S196-R227 PolarHBondContact O-NE 2.77Å; S196-R227 PolarHBondContact O-NH2 2.8Å; F198-R227 CarbonylContact C-O 3.56Å; F198-R227 VanDerWaalsContact CA-O 3.25Å; F198-R227 WeakPolarHBondContact CA-O 3.48Å; V199-R227 HydrophobicContact CB-CB 4.41Å; V199-R227 VanDerWaalsContact CG2-NH2 3.34Å; V199-R227 PolarHBondContact N-O 3.37Å; V199-R227 PolarHBondContact O-N 3.2Å
228Q93.8Very high87.5Confident63 Ų6366.2 Ų66.229%0.29436%0.355SS..EExtended strand (participates in β ladder)trans-153.4134.5163.557.1-179.5-12.900110.7D197 F198 V225 Y230 L232 F233D197-Q228 CarbonylContact O-C 3.6Å; D197-Q228 WeakPolarHBondContact O-CA 3.19Å; F198-Q228 HydrophobicContact CB-CB 4.16Å; V225-Q228 HydrophobicContact CG1-CB 4.19Å; V225-Q228 HydrophobicContact CG1-CG 3.79Å; Q228-Y230 WeakPolarHBondContact CG-O 3.24Å; Q228-L232 HydrophobicContact CB-CD1 4.49Å; Q228-F233 PolarHBondContact NE2-O 3.23Å
229K89.6Confident86Confident71 Ų7171.6 Ų71.631%0.30938%0.383SS..SBendtrans-79.1130.6162.6-165.1-172-179-161.30107.3E54 D197 L232 V266E54-K229 IonicContact OE1-NZ 2.67Å; E54-K229 PolarHBondContact OE1-NZ 2.04Å; E54-K229 IonicContact OE2-NZ 2.8Å; E54-K229 PolarHBondContact OE2-NZ 3.43Å; E54-K229 VanDerWaalsContact OE2-NZ 3.16Å; D197-K229 HydrophobicContact CB-CB 4.04Å; D197-K229 PolarHBondContact O-N 2.03Å; K229-L232 WeakPolarHBondContact O-CD1 3.34Å; K229-L232 WeakPolarHBondContact O-CG 3.41Å; K229-V266 HydrophobicContact CB-CG2 4.4Å
230Y87.9Confident85.1Confident114 Ų11470.8 Ų70.845%0.44739%0.387SS..SBendtrans60.4179.8-172.1-40.7-73.4000113.5E54 Q228 L232 V266E54-Y230 PolarHBondContact OE1-OH 3.11Å; Q228-Y230 WeakPolarHBondContact CG-O 3.24Å; Y230-L232 PolarHBondContact O-N 3.12Å; Y230-V266 HydrophobicContact CD2-CB 4.5Å; Y230-V266 HydrophobicContact CD2-CG1 3.97Å; Y230-V266 HydrophobicContact CD2-CG2 4.25Å; Y230-V266 HydrophobicContact CE2-CB 4.41Å; Y230-V266 HydrophobicContact CE2-CG1 3.88Å
231T88.8Confident84.7Confident117 Ų11772.3 Ų72.372%0.71840%0.398SS*.SBendtrans-90.668.5-179.653.40000111
232L91.3Very high84.7Confident25 Ų2578.6 Ų78.613%0.13142%0.418CS..  trans-76.8-36.3-178.6-59.3169.7000112.6F198 Q228 K229 Y230 V266 G269 A271F198-L232 HydrophobicContact CB-CD1 3.98Å; F198-L232 HydrophobicContact CD1-CD1 3.96Å; F198-L232 HydrophobicContact CG-CD1 4.19Å; Q228-L232 HydrophobicContact CB-CD1 4.49Å; K229-L232 WeakPolarHBondContact O-CD1 3.34Å; K229-L232 WeakPolarHBondContact O-CG 3.41Å; Y230-L232 PolarHBondContact O-N 3.12Å; L232-V266 HydrophobicContact CD1-CG2 3.54Å; L232-V266 HydrophobicContact CD2-CG2 4.12Å; L232-V266 HydrophobicContact CG-CG2 4.34Å; L232-G269 WeakPolarHBondContact CD2-O 3.38Å; L232-A271 HydrophobicContact CD1-CB 4.17Å; L232-A271 HydrophobicContact CD2-CB 4.38Å
233F91.6Very high84.7Confident6 Ų679 Ų793%0.02642%0.424CS..SBendtrans-115.7117.8175.9-66.2-98000108.7F198 V200 V220 A222 V225 Q228 R242 V245F198-F233 HydrophobicContact CD2-CE2 4.27Å; V200-F233 HydrophobicContact CB-CE2 4.32Å; V200-F233 HydrophobicContact CB-CZ 4.27Å; V200-F233 HydrophobicContact CG1-CD1 4.22Å; V200-F233 HydrophobicContact CG1-CE1 4.03Å; V200-F233 HydrophobicContact CG1-CE2 4.48Å; V200-F233 HydrophobicContact CG1-CZ 4.17Å; V200-F233 HydrophobicContact CG2-CD2 3.77Å; V200-F233 HydrophobicContact CG2-CE2 3.65Å; V200-F233 HydrophobicContact CG2-CG 4.34Å; V200-F233 HydrophobicContact CG2-CZ 4.09Å; V220-F233 HydrophobicContact CB-CE1 3.96Å; V220-F233 HydrophobicContact CG1-CE1 3.91Å; A222-F233 HydrophobicContact CB-CD1 3.74Å; A222-F233 HydrophobicContact CB-CE1 4.31Å; A222-F233 HydrophobicContact CB-CG 4.41Å; V225-F233 HydrophobicContact CG2-CB 4.05Å; Q228-F233 PolarHBondContact NE2-O 3.23Å; F233-R242 WeakPolarHBondContact CA-O 3.44Å; F233-V245 HydrophobicContact CZ-CG2 3.75Å
234T88.7Confident84.8Confident89 Ų8979.2 Ų79.255%0.54642%0.419SS..BIsolated β-bridgetrans-117.3139.7-177.758.70000110.2S241 R242T234-S241 CarbonylContact O-C 3.5Å; T234-S241 VanDerWaalsContact O-CA 3.29Å; T234-S241 WeakPolarHBondContact O-CA 3.39Å; T234-R242 PolarHBondContact N-O 3.31Å; T234-R242 PolarHBondContact O-N 3.28Å
235G80Confident84.9Confident44 Ų4475.4 Ų75.445%0.45440%0.404SS..  trans-148.6143.8177.300000110.6
236S59.1Low84.9Confident99 Ų9974.7 Ų74.769%0.69240%0.396SS*.  trans-91.1106.9172.752.40000109.9R238 L239S236-R238 PolarHBondContact O-N 3.02Å; S236-L239 PolarHBondContact O-N 3.06Å
237G63.9Low84.8Confident78 Ų7873.3 Ų73.380%0.80439%0.391SS*.THydrogen-bonded Turntrans60.5-123.8170.500000114.6L239G237-L239 VanDerWaalsContact C-N 3.25Å; G237-L239 PolarHBondContact O-N 3.21Å
238R59.7Low84.4Confident261 Ų26169.7 Ų69.799%0.98538%0.379SS*.THydrogen-bonded Turntrans-75.3-3.6-173.9-65.5-176.5179.8169.40.1114.6S236S236-R238 PolarHBondContact O-N 3.02Å
239L65.7Low84.1Confident115 Ų11568.5 Ų68.560%0.60237%0.374SS*.SBendtrans-82.6148.3177.4-103.876.5000111.8S236 G237 S241S236-L239 PolarHBondContact O-N 3.06Å; G237-L239 VanDerWaalsContact C-N 3.25Å; G237-L239 PolarHBondContact O-N 3.21Å; L239-S241 PolarHBondContact O-N 2.78Å
240A75.4Confident83.8Confident43 Ų4370 Ų7036%0.35538%0.382SS..PPolyproline II helixtrans-55.1128170.100000110.3A222A222-A240 WeakPolarHBondContact O-CA 3.35Å; A222-A240 WeakPolarHBondContact O-CB 3.41Å
241S89.3Confident83.7Confident33 Ų3366.2 Ų66.223%0.23137%0.372CS..EExtended strand (participates in β ladder)trans-65.2144.2176.3-49.10000109.8A222 T234 L239A222-S241 WeakPolarHBondContact CA-O 3.41Å; A222-S241 WeakPolarHBondContact CB-O 3.21Å; A222-S241 PolarHBondContact N-O 3.17Å; A222-S241 PolarHBondContact O-N 2.78Å; T234-S241 CarbonylContact O-C 3.5Å; T234-S241 VanDerWaalsContact O-CA 3.29Å; T234-S241 WeakPolarHBondContact O-CA 3.39Å; L239-S241 PolarHBondContact O-N 2.78Å
242R93.4Very high83.7Confident152 Ų15263.1 Ų63.157%0.57436%0.363SS*.EExtended strand (participates in β ladder)trans-112.7147.3177.8-63.7-176.8-174.2179.1-0.1109.8V220 F233 T234V220-R242 WeakPolarHBondContact O-CA 3.06Å; F233-R242 WeakPolarHBondContact CA-O 3.44Å; T234-R242 PolarHBondContact N-O 3.31Å; T234-R242 PolarHBondContact O-N 3.28Å
243G94.8Very high83.6Confident13 Ų1364 Ų6413%0.13437%0.369CS..EExtended strand (participates in β ladder)trans-160.8170.4175.800000111.4V220V220-G243 PolarHBondContact N-O 2.82Å; V220-G243 PolarHBondContact O-N 3.09Å; V220-G243 VanDerWaalsContact O-N 3.12Å
244E95.6Very high83.4Confident84 Ų8473.6 Ų73.639%0.39341%0.406SS..EExtended strand (participates in β ladder)trans-116.8135.4179.7-66179.8175.100109.9V217 I218 R246 A271V217-E244 HydrophobicContact CG1-CB 4.04Å; V217-E244 HydrophobicContact CG1-CG 4.14Å; I218-E244 WeakPolarHBondContact O-CA 3.36Å; E244-R246 IonicContact OE2-CZ 2.78Å; E244-R246 IonicContact OE2-NH1 3.65Å; E244-R246 IonicContact OE2-NH2 3.16Å; E244-R246 PolarHBondContact OE2-NH2 3.32Å; E244-A271 WeakPolarHBondContact O-CB 3.34Å
245V95.3Very high83.4Confident0 Ų073.4 Ų73.40%041%0.406CS..EExtended strand (participates in β ladder)trans-123.8125.9175.3-175.90000109.1F198 I218 V220 F233 A271 L273F198-V245 HydrophobicContact CE2-CG2 4.35Å; F198-V245 HydrophobicContact CZ-CG1 4.11Å; I218-V245 WeakPolarHBondContact CB-O 3.3Å; I218-V245 PolarHBondContact N-O 3.35Å; I218-V245 PolarHBondContact O-N 2.86Å; V220-V245 HydrophobicContact CG2-CG2 4.12Å; F233-V245 HydrophobicContact CZ-CG2 3.75Å; V245-A271 HydrophobicContact CG2-CB 4.47Å; V245-L273 HydrophobicContact CG1-CB 3.83Å; V245-L273 HydrophobicContact CG1-CD1 3.94Å; V245-L273 HydrophobicContact CG1-CG 4.46Å
246R92.8Very high83.6Confident32 Ų3272.4 Ų72.412%0.12140%0.396CS..EExtended strand (participates in β ladder)trans-95.7145.3-178.3-68.7167.4-178.16410.5111.1A216 V217 E244 E270 A271 W272 L273A216-R246 CarbonylContact O-C 3.54Å; A216-R246 WeakPolarHBondContact O-CA 3.5Å; V217-R246 HydrophobicContact CG2-CG 4.3Å; E244-R246 IonicContact OE2-CZ 2.78Å; E244-R246 IonicContact OE2-NH1 3.65Å; E244-R246 IonicContact OE2-NH2 3.16Å; E244-R246 PolarHBondContact OE2-NH2 3.32Å; R246-E270 IonicContact NE-OE2 3.81Å; R246-A271 PolarHBondContact N-O 3.02Å; R246-W272 HydrophobicContact CB-CD2 3.96Å; R246-W272 HydrophobicContact CB-CE3 4.17Å; R246-W272 HydrophobicContact CB-CG 4.39Å; R246-W272 HydrophobicContact CB-CZ2 4.31Å; R246-W272 HydrophobicContact CB-CZ3 4.44Å; R246-W272 CarbonylContact O-C 3.58Å; R246-W272 WeakPolarHBondContact O-CA 3.35Å; R246-L273 WeakPolarHBondContact O-CB 3.39Å; R246-L273 PolarHBondContact O-N 3.25Å
247T90.3Very high85.1Confident10 Ų1073.1 Ų73.16%0.06140%0.398CS..EExtended strand (participates in β ladder)trans-146.2170.8169.7-1700000109.9A215 A216 I218 V253A215-T247 CarbonylContact C-O 3.59Å; A215-T247 VanDerWaalsContact CA-O 3.24Å; A215-T247 WeakPolarHBondContact CA-O 3.43Å; A215-T247 WeakPolarHBondContact CB-O 3.36Å; A216-T247 HydrophobicContact CB-CG2 3.98Å; A216-T247 PolarHBondContact N-O 3.49Å; A216-T247 PolarHBondContact O-N 2.92Å; I218-T247 HydrophobicContact CD1-CG2 4.18Å; T247-V253 HydrophobicContact CG2-CB 4.45Å; T247-V253 HydrophobicContact CG2-CG2 3.66Å
248L86.1Confident86.5Confident15 Ų1571 Ų718%0.07938%0.377CS..EExtended strand (participates in β ladder)trans-66.8136.4179.7-55.5173.4000110.8M168 L170 A180 Q250 C251 W272M168-L248 HydrophobicContact SD-CD1 4.45Å; M168-L248 HydrophobicContact SD-CG 4.39Å; L170-L248 HydrophobicContact CD2-CD2 3.63Å; A180-L248 HydrophobicContact CB-CD1 3.76Å; L248-Q250 HydrophobicContact CB-CG 3.94Å; L248-Q250 PolarHBondContact O-N 3.04Å; L248-C251 WeakPolarHBondContact O-CB 3.47Å; L248-C251 PolarHBondContact O-N 3.22Å; L248-W272 HydrophobicContact CD2-CZ3 4.41Å
249L86.1Confident88.2Confident37 Ų3760 Ų6019%0.19434%0.339CS..G310 helixtrans-54.6-39.2177.5-79172000112.4E209 R214 A215 A216 C251 G252E209-L249 HydrophobicContact CB-CD2 3.67Å; E209-L249 HydrophobicContact CG-CD2 3.59Å; R214-L249 VanDerWaalsContact CA-CD1 3.43Å; R214-L249 HydrophobicContact CB-CD1 4.18Å; R214-L249 WeakPolarHBondContact O-CG 3.37Å; R214-L249 PolarHBondContact O-N 3Å; A215-L249 VanDerWaalsContact C-CD2 3.47Å; A215-L249 WeakPolarHBondContact O-CD2 3.32Å; A216-L249 HydrophobicContact CB-CD2 4.13Å; L249-C251 PolarHBondContact O-N 3.06Å; L249-G252 PolarHBondContact O-N 3.39Å
250Q83.9Confident89.6Confident103 Ų10355.6 Ų55.648%0.48132%0.315SS..G310 helixtrans-62.2-13.5-178.969.7-168.332.100114.6R177 L248 G252R177-Q250 HydrophobicContact CG-CB 4.11Å; R177-Q250 HydrophobicContact CG-CG 3.95Å; L248-Q250 HydrophobicContact CB-CG 3.94Å; L248-Q250 PolarHBondContact O-N 3.04Å; Q250-G252 PolarHBondContact O-N 3.25Å
251C86.8Confident90.7Very high34 Ų3453.6 Ų53.623%0.2330%0.299CS..G310 helixtrans-76.7-10.6173.9-59.70000113.1C181 L248 L249 V253C181-C251 VanDerWaalsContact CA-SG 3.56Å; C181-C251 HydrophobicContact CB-CB 3.67Å; C181-C251 WeakPolarHBondContact CB-SG 3.5Å; C181-C251 WeakPolarHBondContact SG-CA 3.31Å; C181-C251 WeakPolarHBondContact SG-CB 3.33Å; C181-C251 PolarHBondContact SG-N 2.78Å; C181-C251 VanDerWaalsContact SG-N 3.43Å; C181-C251 CovalentContact SG-SG 2.04Å; C181-C251 PolarHBondContact SG-SG 2.89Å; L248-C251 WeakPolarHBondContact O-CB 3.47Å; L248-C251 PolarHBondContact O-N 3.22Å; L249-C251 PolarHBondContact O-N 3.06Å; C251-V253 VanDerWaalsContact C-N 3.3Å; C251-V253 HydrophobicContact CB-CG2 4.26Å; C251-V253 PolarHBondContact O-N 3.35Å
252G86.8Confident91Very high52 Ų5252.1 Ų52.154%0.53629%0.288SS..  trans60.236.6170.500000114L249 Q250 R254L249-G252 PolarHBondContact O-N 3.39Å; Q250-G252 PolarHBondContact O-N 3.25Å; G252-R254 PolarHBondContact O-N 2.89Å
253V89.9Confident91.2Very high43 Ų4345 Ų4526%0.26126%0.261SS..  trans-64.4133.4-177-179.10000110.3V207 I218 T247 C251V207-V253 HydrophobicContact CG2-CG1 4.25Å; I218-V253 HydrophobicContact CD1-CG1 3.9Å; I218-V253 HydrophobicContact CG1-CG1 4.17Å; T247-V253 HydrophobicContact CG2-CB 4.45Å; T247-V253 HydrophobicContact CG2-CG2 3.66Å; C251-V253 VanDerWaalsContact C-N 3.3Å; C251-V253 HydrophobicContact CB-CG2 4.26Å; C251-V253 PolarHBondContact O-N 3.35Å
254R87.8Confident91.1Very high209 Ų20944.4 Ų44.479%0.78926%0.255SS*.  trans-122151178.3-63.5-176-178.3-157.9-1.9110.8G252 G256G252-R254 PolarHBondContact O-N 2.89Å; R254-G256 PolarHBondContact O-N 2.93Å
255P88.6Confident90.8Very high84 Ų8443.5 Ų43.555%0.54525%0.248SC..  trans-54.9133.3167.7-21.532.1000110.3I204 V207I204-P255 HydrophobicContact CG2-CB 4.39Å; V207-P255 HydrophobicContact CB-CG 4.37Å; V207-P255 HydrophobicContact CG2-CG 4.06Å
256G84.9Confident90.5Very high24 Ų2443.7 Ų43.725%0.24725%0.25CC..  trans-145.6143.9-178.800000111.7R254R254-G256 PolarHBondContact O-N 2.93Å
257P89.3Confident90.3Very high114 Ų11442.7 Ų42.774%0.7425%0.246SC*.SBendtrans-70.8151.6179.230.1-35.1000111.4R278P257-R278 PolarHBondContact O-NH1 3.39Å
258G93.2Very high90.2Very high34 Ų3442.6 Ų42.635%0.35125%0.245SC..SBendtrans113.7175176.800000113.5N203 F260N203-G258 PolarHBondContact ND2-O 2.8Å; G258-F260 WeakPolarHBondContact O-CE2 3.46Å
259S95.4Very high90.3Very high29 Ų2943.9 Ų43.920%0.20326%0.262CS..  trans-101.4137176.8-173.40000110R201 G202 Y279R201-S259 WeakPolarHBondContact CG-OG 3.27Å; G202-S259 CarbonylContact O-C 3.57Å; G202-S259 WeakPolarHBondContact O-CA 3.41Å; G202-S259 PolarHBondContact O-OG 2.95Å; S259-Y279 PolarHBondContact O-N 2.99Å
260F96.8Very high90.5Very high23 Ų2344 Ų4410%0.10126%0.261CS..EExtended strand (participates in β ladder)trans-122.4152.4-177.6-59.6-94.3000109.9R201 G202 I204 G258 F262 P277 R278R201-F260 WeakPolarHBondContact CA-O 3.4Å; G202-F260 PolarHBondContact N-O 2.59Å; G202-F260 PolarHBondContact O-N 2.8Å; I204-F260 HydrophobicContact CD1-CD2 4.32Å; I204-F260 HydrophobicContact CD1-CE2 4.02Å; I204-F260 HydrophobicContact CD1-CZ 4.35Å; I204-F260 HydrophobicContact CG1-CD2 4.24Å; I204-F260 HydrophobicContact CG1-CE2 4.25Å; G258-F260 WeakPolarHBondContact O-CE2 3.46Å; F260-F262 HydrophobicContact CB-CD2 4.29Å; F260-F262 HydrophobicContact CB-CE1 4.39Å; F260-F262 HydrophobicContact CB-CE2 3.7Å; F260-F262 HydrophobicContact CB-CZ 3.76Å; F260-F262 HydrophobicContact CD2-CZ 4.42Å; F260-F262 HydrophobicContact CG-CZ 4.31Å; F260-P277 WeakPolarHBondContact CA-O 3.44Å; F260-R278 HydrophobicContact CD1-CG 4.12Å; F260-R278 HydrophobicContact CE1-CG 3.81Å
261L97.1Very high90.9Very high0 Ų039.2 Ų39.20%024%0.239CC..EExtended strand (participates in β ladder)trans-98.8103.1168.2-173.474.3000108.7V193 V199 V200 F226 T263 A276 P277 Y279 F282V193-L261 HydrophobicContact CG2-CD2 3.79Å; V199-L261 HydrophobicContact CG1-CD1 3.94Å; V199-L261 HydrophobicContact CG1-CG 4.43Å; V200-L261 CarbonylContact O-C 3.59Å; F226-L261 HydrophobicContact CD2-CD1 4.24Å; F226-L261 HydrophobicContact CE2-CD1 3.89Å; L261-T263 HydrophobicContact CD2-CG2 4.22Å; L261-T263 HydrophobicContact CG-CG2 4.19Å; L261-A276 WeakPolarHBondContact O-CA 3.34Å; L261-P277 HydrophobicContact CB-CG 4.28Å; L261-P277 PolarHBondContact N-O 3.1Å; L261-P277 WeakPolarHBondContact O-CD 3.29Å; L261-Y279 HydrophobicContact CB-CD2 4.25Å; L261-Y279 HydrophobicContact CD1-CD2 4.22Å; L261-Y279 HydrophobicContact CD1-CE2 4.27Å; L261-F282 HydrophobicContact CD2-CB 4.35Å; L261-F282 HydrophobicContact CD2-CD1 3.7Å; L261-F282 HydrophobicContact CD2-CD2 3.77Å; L261-F282 HydrophobicContact CD2-CE1 3.85Å; L261-F282 HydrophobicContact CD2-CE2 3.93Å; L261-F282 HydrophobicContact CD2-CG 3.63Å; L261-F282 HydrophobicContact CD2-CZ 3.96Å
262F96.8Very high91.2Very high2 Ų238.4 Ų38.41%0.00923%0.231CC..EExtended strand (participates in β ladder)trans-83.3121.1175.8-60.1-85.6000109.9F198 V199 V200 I204 V220 F260 L273 A276F198-F262 HydrophobicContact CE2-CB 4.17Å; V199-F262 WeakPolarHBondContact CA-O 3.47Å; V200-F262 PolarHBondContact N-O 2.9Å; V200-F262 PolarHBondContact O-N 3.06Å; I204-F262 HydrophobicContact CG1-CE1 4.47Å; I204-F262 HydrophobicContact CG1-CZ 3.85Å; V220-F262 HydrophobicContact CB-CE2 4.46Å; V220-F262 HydrophobicContact CG1-CD2 3.83Å; V220-F262 HydrophobicContact CG1-CE2 3.58Å; V220-F262 HydrophobicContact CG1-CZ 4.22Å; V220-F262 HydrophobicContact CG2-CD1 4.36Å; V220-F262 HydrophobicContact CG2-CD2 4.35Å; V220-F262 HydrophobicContact CG2-CE1 3.96Å; V220-F262 HydrophobicContact CG2-CE2 3.95Å; V220-F262 HydrophobicContact CG2-CZ 3.74Å; F260-F262 HydrophobicContact CB-CD2 4.29Å; F260-F262 HydrophobicContact CB-CE1 4.39Å; F260-F262 HydrophobicContact CB-CE2 3.7Å; F260-F262 HydrophobicContact CB-CZ 3.76Å; F260-F262 HydrophobicContact CD2-CZ 4.42Å; F260-F262 HydrophobicContact CG-CZ 4.31Å; F262-L273 HydrophobicContact CD1-CD1 4.07Å; F262-A276 HydrophobicContact CD1-CB 4.1Å; F262-A276 HydrophobicContact CE1-CB 4.27Å
263T96.1Very high91.5Very high2 Ų237.1 Ų37.11%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-126148.917362.70000108.6A192 V193 F198 V199 L261 G274 C275A192-T263 HydrophobicContact CB-CG2 4.43Å; V193-T263 HydrophobicContact CG2-CG2 4.37Å; F198-T263 WeakPolarHBondContact O-CA 3.49Å; V199-T263 HydrophobicContact CG1-CG2 4.2Å; V199-T263 HydrophobicContact CG2-CG2 4.28Å; L261-T263 HydrophobicContact CD2-CG2 4.22Å; L261-T263 HydrophobicContact CG-CG2 4.19Å; T263-G274 WeakPolarHBondContact O-CA 3.47Å; T263-G274 PolarHBondContact O-N 3.27Å; T263-C275 PolarHBondContact N-O 2.83Å; T263-C275 PolarHBondContact O-N 3.49Å; T263-C275 WeakPolarHBondContact OG1-CA 3.43Å; T263-C275 VanDerWaalsContact OG1-CB 3.3Å; T263-C275 WeakPolarHBondContact OG1-CB 3.43Å; T263-C275 PolarHBondContact OG1-N 2.97Å; T263-C275 PolarHBondContact OG1-O 3.39Å
264G92.8Very high91.5Very high1 Ų136.5 Ų36.51%0.0121%0.214CC..EExtended strand (participates in β ladder)trans177.5-165-179.300000113.8S196 D197 F198 W272S196-G264 CarbonylContact C-O 3.41Å; S196-G264 VanDerWaalsContact CA-O 3.24Å; S196-G264 WeakPolarHBondContact CA-O 3.19Å; S196-G264 WeakPolarHBondContact CB-O 3.23Å; S196-G264 PolarHBondContact OG-N 2.84Å; S196-G264 VanDerWaalsContact OG-N 3.16Å; S196-G264 PolarHBondContact OG-O 3.19Å; D197-G264 PolarHBondContact N-O 2.91Å; F198-G264 VanDerWaalsContact CE1-CA 3.44Å; F198-G264 VanDerWaalsContact CZ-CA 3.48Å; F198-G264 PolarHBondContact O-N 3.03Å; G264-W272 CarbonylContact C-O 3.54Å; G264-W272 WeakPolarHBondContact CA-O 3.46Å
265R90Very high91.7Very high65 Ų6526.8 Ų26.825%0.24518%0.179CC..EExtended strand (participates in β ladder)trans-122.8155.5-179.6-63.7-69.1-122.4-105.6-11109.8R161 T195 D197 W272R161-R265 VanDerWaalsContact NH1-CB 3.33Å; T195-R265 PolarHBondContact O-NH1 3.1Å; D197-R265 VanDerWaalsContact OD2-CA 3.31Å; D197-R265 WeakPolarHBondContact OD2-CA 3.43Å; D197-R265 WeakPolarHBondContact OD2-CB 3.49Å; D197-R265 WeakPolarHBondContact OD2-CD 3.34Å; R265-W272 PolarHBondContact N-O 2.89Å; R265-W272 PolarHBondContact O-N 3.27Å
266V90Very high92.1Very high5 Ų524.7 Ų24.73%0.0317%0.168CC..EExtended strand (participates in β ladder)trans-85.3138.6167.71790000108.4R161 D197 K229 Y230 L232 E270R161-V266 PolarHBondContact NH1-O 3.41Å; R161-V266 VanDerWaalsContact NH1-O 3.09Å; R161-V266 PolarHBondContact NH2-O 2.79Å; D197-V266 HydrophobicContact CB-CB 4.31Å; D197-V266 HydrophobicContact CB-CG2 3.82Å; D197-V266 PolarHBondContact OD2-N 2.94Å; K229-V266 HydrophobicContact CB-CG2 4.4Å; Y230-V266 HydrophobicContact CD2-CB 4.5Å; Y230-V266 HydrophobicContact CD2-CG1 3.97Å; Y230-V266 HydrophobicContact CD2-CG2 4.25Å; Y230-V266 HydrophobicContact CE2-CB 4.41Å; Y230-V266 HydrophobicContact CE2-CG1 3.88Å; L232-V266 HydrophobicContact CD1-CG2 3.54Å; L232-V266 HydrophobicContact CD2-CG2 4.12Å; L232-V266 HydrophobicContact CG-CG2 4.34Å; V266-E270 CarbonylContact C-O 3.47Å; V266-E270 WeakPolarHBondContact CA-O 3.38Å
267H87.5Confident92.6Very high10 Ų1024.5 Ų24.55%0.04616%0.163CC..EExtended strand (participates in β ladder)trans-136.8116.9171.3-176.450.1000108.5E159 M165 G269 E270 W272E159-H267 IonicContact OE2-CE1 3.17Å; E159-H267 IonicContact OE2-CG 3.83Å; E159-H267 IonicContact OE2-ND1 3.25Å; E159-H267 PolarHBondContact OE2-ND1 2.74Å; M165-H267 HydrophobicContact CE-CB 3.8Å; M165-H267 VanDerWaalsContact CE-CG 3.47Å; M165-H267 VanDerWaalsContact CE-ND1 3.31Å; M165-H267 WeakPolarHBondContact CE-ND1 3.31Å; H267-G269 PolarHBondContact O-N 2.86Å; H267-E270 PolarHBondContact N-O 3.34Å; H267-E270 WeakPolarHBondContact O-CB 3.34Å; H267-E270 PolarHBondContact O-N 2.9Å; H267-W272 VanDerWaalsContact CB-CD1 3.48Å; H267-W272 HydrophobicContact CB-CG 4.22Å; H267-W272 AromaticContact CD2-NE1 3.99Å
268F88.2Confident92.9Very high9 Ų923.9 Ų23.94%0.03915%0.146CC..THydrogen-bonded Turntrans49.536.7-173.4-65.8-64.7000114.8C90 K92 V126 R157 E159 E270C90-F268 HydrophobicContact CB-CE2 3.86Å; C90-F268 HydrophobicContact CB-CZ 4.03Å; K92-F268 HydrophobicContact CB-CD1 3.73Å; K92-F268 HydrophobicContact CB-CD2 3.75Å; K92-F268 HydrophobicContact CB-CE1 3.73Å; K92-F268 HydrophobicContact CB-CE2 3.72Å; K92-F268 HydrophobicContact CB-CG 3.75Å; K92-F268 HydrophobicContact CB-CZ 3.71Å; K92-F268 HydrophobicContact CD-CB 3.59Å; K92-F268 HydrophobicContact CD-CD1 4.28Å; K92-F268 HydrophobicContact CD-CD2 4Å; K92-F268 HydrophobicContact CD-CG 3.7Å; K92-F268 HydrophobicContact CG-CD2 4.44Å; K92-F268 HydrophobicContact CG-CG 4.36Å; V126-F268 HydrophobicContact CG1-CD2 4.27Å; V126-F268 HydrophobicContact CG1-CE2 3.67Å; V126-F268 HydrophobicContact CG2-CD2 3.94Å; V126-F268 HydrophobicContact CG2-CE2 4.07Å; R157-F268 HydrophobicContact CB-CD1 3.69Å; R157-F268 HydrophobicContact CB-CE1 3.58Å; R157-F268 WeakPolarHBondContact O-CE1 3.16Å; E159-F268 HydrophobicContact CB-CE1 4.39Å; E159-F268 HydrophobicContact CB-CZ 4.28Å; E159-F268 HydrophobicContact CG-CD1 4.13Å; E159-F268 HydrophobicContact CG-CE1 3.77Å; E159-F268 HydrophobicContact CG-CZ 4.11Å; E159-F268 VanDerWaalsContact OE1-CA 3.3Å; E159-F268 WeakPolarHBondContact OE1-CA 3.42Å; E159-F268 PolarHBondContact OE1-N 2.92Å; F268-E270 VanDerWaalsContact C-N 3.29Å
269G88.4Confident93.1Very high41 Ų4122.5 Ų22.542%0.42313%0.13SC..THydrogen-bonded Turntrans83.7-1.8-178.600000114.6L232 H267L232-G269 WeakPolarHBondContact CD2-O 3.38Å; H267-G269 PolarHBondContact O-N 2.86Å
270E90.1Very high93.1Very high41 Ų4127.4 Ų27.419%0.19215%0.148CC..EExtended strand (participates in β ladder)trans-100.7141.3178.4-63.4160.9-170.100110.1K92 R246 V266 H267 F268K92-E270 IonicContact NZ-OE1 2.64Å; K92-E270 PolarHBondContact NZ-OE1 3.22Å; R246-E270 IonicContact NE-OE2 3.81Å; V266-E270 CarbonylContact C-O 3.47Å; V266-E270 WeakPolarHBondContact CA-O 3.38Å; H267-E270 PolarHBondContact N-O 3.34Å; H267-E270 WeakPolarHBondContact O-CB 3.34Å; H267-E270 PolarHBondContact O-N 2.9Å; F268-E270 VanDerWaalsContact C-N 3.29Å
271A93.1Very high93Very high2 Ų229 Ų292%0.01716%0.157CC..EExtended strand (participates in β ladder)trans-79.7123.5176.700000110.5F198 L232 E244 V245 R246F198-A271 HydrophobicContact CD1-CB 4.13Å; F198-A271 HydrophobicContact CE1-CB 3.64Å; F198-A271 HydrophobicContact CZ-CB 3.97Å; L232-A271 HydrophobicContact CD1-CB 4.17Å; L232-A271 HydrophobicContact CD2-CB 4.38Å; E244-A271 WeakPolarHBondContact O-CB 3.34Å; V245-A271 HydrophobicContact CG2-CB 4.47Å; R246-A271 PolarHBondContact N-O 3.02Å
272W92Very high93Very high17 Ų1729 Ų296%0.06416%0.157CC..EExtended strand (participates in β ladder)trans-113.5133.2175.9-76.275.6000110.8L170 A215 R246 L248 G264 R265 H267L170-W272 HydrophobicContact CD1-CH2 4.05Å; L170-W272 HydrophobicContact CD2-CH2 4.28Å; A215-W272 HydrophobicContact CB-CH2 4.01Å; A215-W272 HydrophobicContact CB-CZ3 4.46Å; R246-W272 HydrophobicContact CB-CD2 3.96Å; R246-W272 HydrophobicContact CB-CE3 4.17Å; R246-W272 HydrophobicContact CB-CG 4.39Å; R246-W272 HydrophobicContact CB-CZ2 4.31Å; R246-W272 HydrophobicContact CB-CZ3 4.44Å; R246-W272 CarbonylContact O-C 3.58Å; R246-W272 WeakPolarHBondContact O-CA 3.35Å; L248-W272 HydrophobicContact CD2-CZ3 4.41Å; G264-W272 CarbonylContact C-O 3.54Å; G264-W272 WeakPolarHBondContact CA-O 3.46Å; R265-W272 PolarHBondContact N-O 2.89Å; R265-W272 PolarHBondContact O-N 3.27Å; H267-W272 VanDerWaalsContact CB-CD1 3.48Å; H267-W272 HydrophobicContact CB-CG 4.22Å; H267-W272 AromaticContact CD2-NE1 3.99Å
273L92.8Very high93Very high24 Ų2431.7 Ų31.713%0.12617%0.17CC..EExtended strand (participates in β ladder)trans-69.2133.2-172.9-17165000111.9I218 V245 R246 F262 A276I218-L273 HydrophobicContact CD1-CD2 4.27Å; V245-L273 HydrophobicContact CG1-CB 3.83Å; V245-L273 HydrophobicContact CG1-CD1 3.94Å; V245-L273 HydrophobicContact CG1-CG 4.46Å; R246-L273 WeakPolarHBondContact O-CB 3.39Å; R246-L273 PolarHBondContact O-N 3.25Å; F262-L273 HydrophobicContact CD1-CD1 4.07Å; L273-A276 HydrophobicContact CD1-CB 3.87Å; L273-A276 HydrophobicContact CD2-CB 4.21Å
274G90.6Very high93Very high30 Ų3039.7 Ų39.731%0.30920%0.2SC..EExtended strand (participates in β ladder)trans-103.7-73165.400000110.5T263T263-G274 WeakPolarHBondContact O-CA 3.47Å; T263-G274 PolarHBondContact O-N 3.27Å
275C93Very high93.1Very high6 Ų640.8 Ų40.84%0.04121%0.206CC..EExtended strand (participates in β ladder)trans-124.1143176.5-55.50000111.2C184 A192 T263C184-C275 HydrophobicContact CB-CB 3.77Å; C184-C275 WeakPolarHBondContact CB-SG 3.3Å; C184-C275 VanDerWaalsContact SG-CA 3.54Å; C184-C275 WeakPolarHBondContact SG-CB 3.26Å; C184-C275 CovalentContact SG-SG 2.03Å; C184-C275 PolarHBondContact SG-SG 3.09Å; A192-C275 HydrophobicContact CB-CB 4.46Å; T263-C275 PolarHBondContact N-O 2.83Å; T263-C275 PolarHBondContact O-N 3.49Å; T263-C275 WeakPolarHBondContact OG1-CA 3.43Å; T263-C275 VanDerWaalsContact OG1-CB 3.3Å; T263-C275 WeakPolarHBondContact OG1-CB 3.43Å; T263-C275 PolarHBondContact OG1-N 2.97Å; T263-C275 PolarHBondContact OG1-O 3.39Å
276A95.5Very high93.4Very high39 Ų3937.9 Ų37.932%0.32220%0.195SC..  trans-135.160173.400000112.8L261 F262 L273L261-A276 WeakPolarHBondContact O-CA 3.34Å; F262-A276 HydrophobicContact CD1-CB 4.1Å; F262-A276 HydrophobicContact CE1-CB 4.27Å; L273-A276 HydrophobicContact CD1-CB 3.87Å; L273-A276 HydrophobicContact CD2-CB 4.21Å
277P95.7Very high93.7Very high21 Ų2141 Ų4114%0.13622%0.217CC..  trans-63.9157.417330.5-37.1000111I189 F260 L261 Y279 F282I189-P277 HydrophobicContact CD1-CB 3.85Å; I189-P277 HydrophobicContact CD1-CG 4.04Å; I189-P277 HydrophobicContact CG1-CB 4.43Å; I189-P277 HydrophobicContact CG1-CG 4.1Å; I189-P277 HydrophobicContact CG2-CG 4.04Å; F260-P277 WeakPolarHBondContact CA-O 3.44Å; L261-P277 HydrophobicContact CB-CG 4.28Å; L261-P277 PolarHBondContact N-O 3.1Å; L261-P277 WeakPolarHBondContact O-CD 3.29Å; P277-Y279 PolarHBondContact O-N 3.48Å; P277-F282 HydrophobicContact CG-CB 4.21Å
278R95.8Very high94.1Very high101 Ų10145.3 Ų45.338%0.38124%0.244SC..BIsolated β-bridgetrans-63.4138.4165.5-63.7-179.9174-832.6108.4P257 F260 K280 D281 F282P257-R278 PolarHBondContact O-NH1 3.39Å; F260-R278 HydrophobicContact CD1-CG 4.12Å; F260-R278 HydrophobicContact CE1-CG 3.81Å; R278-K280 VanDerWaalsContact C-N 3.25Å; R278-K280 HydrophobicContact CB-CG 4.26Å; R278-K280 PolarHBondContact O-N 3.3Å; R278-D281 WeakPolarHBondContact CB-OD2 3.49Å; R278-D281 PolarHBondContact O-N 3.21Å; R278-F282 PolarHBondContact O-N 2.9Å; R278-F282 VanDerWaalsContact O-N 3.1Å
279Y96.5Very high94.5Very high5 Ų545.3 Ų45.32%0.0225%0.246CC..Hα-helixtrans-59.4-37.1-173.5-173-105.5000112.6R201 F226 S259 L261 P277 D281 F282 Q283R201-Y279 HydrophobicContact CB-CD2 4.29Å; R201-Y279 HydrophobicContact CB-CE2 4.31Å; R201-Y279 HydrophobicContact CG-CD2 3.82Å; R201-Y279 HydrophobicContact CG-CE2 4.08Å; R201-Y279 HydrophobicContact CG-CG 4.06Å; R201-Y279 VanDerWaalsContact CZ-CE1 3.48Å; F226-Y279 HydrophobicContact CE2-CE2 4.41Å; F226-Y279 HydrophobicContact CZ-CE2 4.25Å; S259-Y279 PolarHBondContact O-N 2.99Å; L261-Y279 HydrophobicContact CB-CD2 4.25Å; L261-Y279 HydrophobicContact CD1-CD2 4.22Å; L261-Y279 HydrophobicContact CD1-CE2 4.27Å; P277-Y279 PolarHBondContact O-N 3.48Å; Y279-D281 VanDerWaalsContact C-N 3.3Å; Y279-D281 PolarHBondContact O-N 3.48Å; Y279-F282 HydrophobicContact CD2-CD1 4.2Å; Y279-F282 HydrophobicContact CE2-CD1 4.09Å; Y279-F282 HydrophobicContact CE2-CE1 4.35Å; Y279-F282 PolarHBondContact O-N 2.73Å; Y279-Q283 HydrophobicContact CD1-CG 4.09Å; Y279-Q283 HydrophobicContact CE1-CG 3.71Å; Y279-Q283 WeakPolarHBondContact O-CG 3.41Å; Y279-Q283 PolarHBondContact O-N 2.89Å
280K95.6Very high94.8Very high132 Ų13248.3 Ų48.357%0.57425%0.247SC*.Hα-helixtrans-61-36.6175.968.4176.1-170.2172.60113.3R278 R284R278-K280 VanDerWaalsContact C-N 3.25Å; R278-K280 HydrophobicContact CB-CG 4.26Å; R278-K280 PolarHBondContact O-N 3.3Å; K280-R284 PolarHBondContact O-N 2.85Å
281D95.8Very high95.1Very high57 Ų5750.6 Ų50.631%0.30527%0.273SS..Hα-helixtrans-77.5-41.1-176.8-60.4-33.3000108.5R278 Y279 Q283 R284 T285R278-D281 WeakPolarHBondContact CB-OD2 3.49Å; R278-D281 PolarHBondContact O-N 3.21Å; Y279-D281 VanDerWaalsContact C-N 3.3Å; Y279-D281 PolarHBondContact O-N 3.48Å; D281-Q283 PolarHBondContact O-N 2.93Å; D281-R284 PolarHBondContact O-N 2.79Å; D281-T285 PolarHBondContact O-N 3.12Å; D281-T285 PolarHBondContact O-OG1 2.81Å
282F96.5Very high95.3Very high0 Ų053 Ų530%029%0.292CS..Hα-helixtrans-56.6-48.1169.1164.2-106.9000112.8I189 V193 L261 P277 R278 Y279 R284 T285 Y286 L299 V301I189-F282 HydrophobicContact CG2-CD2 3.55Å; I189-F282 HydrophobicContact CG2-CE2 4.24Å; I189-F282 HydrophobicContact CG2-CG 4.49Å; V193-F282 HydrophobicContact CG2-CE2 3.74Å; V193-F282 HydrophobicContact CG2-CZ 4.05Å; L261-F282 HydrophobicContact CD2-CB 4.35Å; L261-F282 HydrophobicContact CD2-CD1 3.7Å; L261-F282 HydrophobicContact CD2-CD2 3.77Å; L261-F282 HydrophobicContact CD2-CE1 3.85Å; L261-F282 HydrophobicContact CD2-CE2 3.93Å; L261-F282 HydrophobicContact CD2-CG 3.63Å; L261-F282 HydrophobicContact CD2-CZ 3.96Å; P277-F282 HydrophobicContact CG-CB 4.21Å; R278-F282 PolarHBondContact O-N 2.9Å; R278-F282 VanDerWaalsContact O-N 3.1Å; Y279-F282 HydrophobicContact CD2-CD1 4.2Å; Y279-F282 HydrophobicContact CE2-CD1 4.09Å; Y279-F282 HydrophobicContact CE2-CE1 4.35Å; Y279-F282 PolarHBondContact O-N 2.73Å; F282-R284 VanDerWaalsContact C-N 3.28Å; F282-R284 PolarHBondContact O-N 3.24Å; F282-T285 PolarHBondContact O-N 3.14Å; F282-Y286 AromaticContact CE2-CD2 3.98Å; F282-Y286 HydrophobicContact CE2-CD2 3.98Å; F282-Y286 HydrophobicContact CE2-CG 4.26Å; F282-Y286 AromaticContact CZ-CD2 3.86Å; F282-Y286 HydrophobicContact CZ-CD2 3.86Å; F282-Y286 AromaticContact CZ-CG 4Å; F282-Y286 HydrophobicContact CZ-CG 4Å; F282-Y286 VanDerWaalsContact O-CB 3.27Å; F282-Y286 WeakPolarHBondContact O-CB 3.43Å; F282-Y286 PolarHBondContact O-N 3.12Å; F282-L299 HydrophobicContact CE1-CD2 3.87Å; F282-L299 HydrophobicContact CZ-CD2 3.65Å; F282-V301 HydrophobicContact CE1-CG1 3.73Å; F282-V301 HydrophobicContact CZ-CG1 4.16Å
283Q96.1Very high95.4Very high58 Ų5860.7 Ų60.727%0.27133%0.329SS..Hα-helixtrans-57.3-43.6179.5-80.1-179.3-60.700111.2Y279 D281 Y286 S287 D302Y279-Q283 HydrophobicContact CD1-CG 4.09Å; Y279-Q283 HydrophobicContact CE1-CG 3.71Å; Y279-Q283 WeakPolarHBondContact O-CG 3.41Å; Y279-Q283 PolarHBondContact O-N 2.89Å; D281-Q283 PolarHBondContact O-N 2.93Å; Q283-Y286 PolarHBondContact O-N 3.13Å; Q283-S287 WeakPolarHBondContact O-CB 3.22Å; Q283-S287 PolarHBondContact O-N 2.98Å; Q283-S287 PolarHBondContact O-OG 2.81Å; Q283-S287 VanDerWaalsContact O-OG 3.06Å; Q283-D302 PolarHBondContact NE2-O 3.31Å; Q283-D302 VanDerWaalsContact NE2-O 3.12Å
284R96.1Very high95.5Very high170 Ų17066.5 Ų66.564%0.64236%0.356SS*.Hα-helixtrans-59.4-53.4175.5-175.1-173-65.1146.8-0.8111.4K280 D281 F282 Y286 S287 V288K280-R284 PolarHBondContact O-N 2.85Å; D281-R284 PolarHBondContact O-N 2.79Å; F282-R284 VanDerWaalsContact C-N 3.28Å; F282-R284 PolarHBondContact O-N 3.24Å; R284-Y286 VanDerWaalsContact C-N 3.3Å; R284-Y286 PolarHBondContact O-N 3Å; R284-S287 PolarHBondContact O-N 2.92Å; R284-V288 WeakPolarHBondContact O-CG2 3.45Å; R284-V288 PolarHBondContact O-N 3.49Å
285T95.9Very high95.6Very high23 Ų2366.9 Ų66.914%0.14135%0.35CS..Hα-helixtrans-58.1-43.5179.3-60.50000111.4D186 L190 D281 F282 V288 A289D186-T285 HydrophobicContact CB-CG2 3.53Å; D186-T285 VanDerWaalsContact CG-CG2 3.45Å; D186-T285 WeakPolarHBondContact OD1-CG2 3.36Å; D186-T285 PolarHBondContact OD1-OG1 3.45Å; L190-T285 HydrophobicContact CD1-CG2 4.29Å; L190-T285 HydrophobicContact CD2-CG2 4.43Å; L190-T285 HydrophobicContact CG-CG2 4.25Å; D281-T285 PolarHBondContact O-N 3.12Å; D281-T285 PolarHBondContact O-OG1 2.81Å; F282-T285 PolarHBondContact O-N 3.14Å; T285-V288 PolarHBondContact O-N 2.84Å; T285-A289 WeakPolarHBondContact O-CB 3.32Å; T285-A289 PolarHBondContact O-N 3.13Å
286Y96.6Very high95.6Very high4 Ų469.4 Ų69.42%0.01637%0.367CS..Hα-helixtrans-65.4-45.3179.6-171.7-95.8000112.4L190 F282 Q283 R284 V288 A289 K290 I295 C297 E298 L299 V301L190-Y286 HydrophobicContact CD2-CD2 3.85Å; F282-Y286 AromaticContact CE2-CD2 3.98Å; F282-Y286 HydrophobicContact CE2-CD2 3.98Å; F282-Y286 HydrophobicContact CE2-CG 4.26Å; F282-Y286 AromaticContact CZ-CD2 3.86Å; F282-Y286 HydrophobicContact CZ-CD2 3.86Å; F282-Y286 AromaticContact CZ-CG 4Å; F282-Y286 HydrophobicContact CZ-CG 4Å; F282-Y286 VanDerWaalsContact O-CB 3.27Å; F282-Y286 WeakPolarHBondContact O-CB 3.43Å; F282-Y286 PolarHBondContact O-N 3.12Å; Q283-Y286 PolarHBondContact O-N 3.13Å; R284-Y286 VanDerWaalsContact C-N 3.3Å; R284-Y286 PolarHBondContact O-N 3Å; Y286-V288 PolarHBondContact O-N 2.64Å; Y286-A289 PolarHBondContact O-N 3.37Å; Y286-K290 HydrophobicContact CE1-CD 3.97Å; Y286-K290 WeakPolarHBondContact O-CB 3.32Å; Y286-K290 PolarHBondContact O-N 2.86Å; Y286-I295 HydrophobicContact CD2-CG2 4.2Å; Y286-I295 HydrophobicContact CE2-CB 4.45Å; Y286-I295 HydrophobicContact CE2-CG2 3.89Å; Y286-C297 PolarHBondContact OH-O 3.5Å; Y286-E298 WeakPolarHBondContact OH-CA 3.39Å; Y286-L299 HydrophobicContact CE2-CB 4.31Å; Y286-L299 PolarHBondContact OH-N 2.72Å; Y286-V301 HydrophobicContact CD1-CG1 4.15Å; Y286-V301 HydrophobicContact CD1-CG2 3.78Å; Y286-V301 HydrophobicContact CE1-CG1 4.27Å; Y286-V301 HydrophobicContact CE1-CG2 3.71Å
287S95.8Very high95.5Very high71 Ų7169.5 Ų69.550%0.49736%0.364SS..Hα-helixtrans-62.9-41.9177.6-65.90000112.3Q283 R284 K290 A291Q283-S287 WeakPolarHBondContact O-CB 3.22Å; Q283-S287 PolarHBondContact O-N 2.98Å; Q283-S287 PolarHBondContact O-OG 2.81Å; Q283-S287 VanDerWaalsContact O-OG 3.06Å; R284-S287 PolarHBondContact O-N 2.92Å; S287-K290 PolarHBondContact O-N 2.87Å; S287-A291 WeakPolarHBondContact O-CB 3.01Å; S287-A291 PolarHBondContact O-N 3.37Å
288V96.5Very high95.4Very high101 Ų10175.8 Ų75.861%0.61239%0.392SS*.Hα-helixtrans-62.4-49.7176.1171.70000110.6R284 T285 Y286 K290 A291 A292R284-V288 WeakPolarHBondContact O-CG2 3.45Å; R284-V288 PolarHBondContact O-N 3.49Å; T285-V288 PolarHBondContact O-N 2.84Å; Y286-V288 PolarHBondContact O-N 2.64Å; V288-K290 VanDerWaalsContact C-N 3.32Å; V288-K290 PolarHBondContact O-N 3.46Å; V288-A291 PolarHBondContact O-N 2.86Å; V288-A292 PolarHBondContact O-N 2.82Å; V288-A292 VanDerWaalsContact O-N 3.08Å
289A96Very high95.2Very high9 Ų971.8 Ų71.87%0.07438%0.378CS..Hα-helixtrans-64-36.7178.200000112.4L190 T285 Y286 A292 Q293 Q294 I295L190-A289 HydrophobicContact CD1-CB 3.64Å; L190-A289 HydrophobicContact CD2-CB 4.32Å; T285-A289 WeakPolarHBondContact O-CB 3.32Å; T285-A289 PolarHBondContact O-N 3.13Å; Y286-A289 PolarHBondContact O-N 3.37Å; A289-A292 CarbonylContact O-C 3.52Å; A289-A292 PolarHBondContact O-N 2.9Å; A289-Q293 PolarHBondContact O-N 2.88Å; A289-Q293 VanDerWaalsContact O-N 3.09Å; A289-Q294 PolarHBondContact O-N 2.81Å; A289-I295 HydrophobicContact CB-CG2 3.81Å
290K95.7Very high94.9Very high104 Ų10475.6 Ų75.645%0.45240%0.404SS..Hα-helixtrans-66.9-43.9178.3-175.5170.6-177173.80111.4Y286 S287 V288 A292 Q293 I295Y286-K290 HydrophobicContact CE1-CD 3.97Å; Y286-K290 WeakPolarHBondContact O-CB 3.32Å; Y286-K290 PolarHBondContact O-N 2.86Å; S287-K290 PolarHBondContact O-N 2.87Å; V288-K290 VanDerWaalsContact C-N 3.32Å; V288-K290 PolarHBondContact O-N 3.46Å; K290-A292 PolarHBondContact O-N 3.48Å; K290-Q293 PolarHBondContact O-N 2.82Å; K290-I295 HydrophobicContact CB-CD1 4.4Å; K290-I295 HydrophobicContact CB-CG2 4.01Å; K290-I295 HydrophobicContact CD-CD1 4.44Å; K290-I295 HydrophobicContact CG-CD1 4.09Å
291A96.2Very high94.4Very high88 Ų8871.2 Ų71.273%0.72739%0.388SS*.Hα-helixtrans-61.8-35.4174.500000112S287 V288 Q293S287-A291 WeakPolarHBondContact O-CB 3.01Å; S287-A291 PolarHBondContact O-N 3.37Å; V288-A291 PolarHBondContact O-N 2.86Å; A291-Q293 VanDerWaalsContact C-N 3.28Å; A291-Q293 PolarHBondContact O-N 2.63Å
292A96.8Very high93.3Very high52 Ų5275.3 Ų75.343%0.4341%0.41SS..THydrogen-bonded Turntrans-80-0.4174.900000114.5V288 A289 K290 Q294V288-A292 PolarHBondContact O-N 2.82Å; V288-A292 VanDerWaalsContact O-N 3.08Å; A289-A292 CarbonylContact O-C 3.52Å; A289-A292 PolarHBondContact O-N 2.9Å; K290-A292 PolarHBondContact O-N 3.48Å; A292-Q294 HydrophobicContact CB-CB 4.44Å; A292-Q294 HydrophobicContact CB-CG 4.16Å; A292-Q294 PolarHBondContact O-N 2.9Å
293Q94.7Very high93.1Very high180 Ų18079.1 Ų79.184%0.84143%0.43SS*.THydrogen-bonded Turntrans56.132-174.1-58.6-179.2-28.900114A289 K290 A291A289-Q293 PolarHBondContact O-N 2.88Å; A289-Q293 VanDerWaalsContact O-N 3.09Å; K290-Q293 PolarHBondContact O-N 2.82Å; A291-Q293 VanDerWaalsContact C-N 3.28Å; A291-Q293 PolarHBondContact O-N 2.63Å
294Q93.7Very high92.9Very high146 Ų14680.2 Ų80.268%0.68244%0.438SS*.  trans-108.615.3-177.4-71.7176.4-8.600113.2A289 A292A289-Q294 PolarHBondContact O-N 2.81Å; A292-Q294 HydrophobicContact CB-CB 4.44Å; A292-Q294 HydrophobicContact CB-CG 4.16Å; A292-Q294 PolarHBondContact O-N 2.9Å
295I93.3Very high92.8Very high37 Ų3775.2 Ų75.219%0.1943%0.427CS..  trans-76.9131177.452.2169000111.1Y286 A289 K290 C297 E298Y286-I295 HydrophobicContact CD2-CG2 4.2Å; Y286-I295 HydrophobicContact CE2-CB 4.45Å; Y286-I295 HydrophobicContact CE2-CG2 3.89Å; A289-I295 HydrophobicContact CB-CG2 3.81Å; K290-I295 HydrophobicContact CB-CD1 4.4Å; K290-I295 HydrophobicContact CB-CG2 4.01Å; K290-I295 HydrophobicContact CD-CD1 4.44Å; K290-I295 HydrophobicContact CG-CD1 4.09Å; I295-C297 VanDerWaalsContact C-N 3.3Å; I295-C297 PolarHBondContact O-N 3.16Å; I295-E298 HydrophobicContact CD1-CG 4.08Å
296P92.1Very high92.6Very high60 Ų6078.3 Ų78.339%0.3944%0.444SS..SBendtrans-72.1-23.617823.1-28.4000113.4L190 M191 C194L190-P296 HydrophobicContact CB-CG 4Å; L190-P296 WeakPolarHBondContact O-CG 3.46Å; M191-P296 HydrophobicContact SD-CB 3.51Å; M191-P296 VanDerWaalsContact SD-CB 3.51Å; M191-P296 HydrophobicContact SD-CG 3.71Å; C194-P296 VanDerWaalsContact SG-CG 3.58Å
297C94.5Very high92.3Very high40 Ų4082.9 Ų82.927%0.2747%0.471SS..SBendtrans-158.7163.8172.366.80000111.1C194 Y286 I295C194-C297 WeakPolarHBondContact CA-SG 3.26Å; C194-C297 HydrophobicContact CB-CB 3.85Å; C194-C297 WeakPolarHBondContact CB-SG 3.19Å; C194-C297 WeakPolarHBondContact SG-CB 3.44Å; C194-C297 PolarHBondContact SG-N 2.68Å; C194-C297 CovalentContact SG-SG 2.02Å; C194-C297 PolarHBondContact SG-SG 3.34Å; Y286-C297 PolarHBondContact OH-O 3.5Å; I295-C297 VanDerWaalsContact C-N 3.3Å; I295-C297 PolarHBondContact O-N 3.16Å
298E93.4Very high92.1Very high154 Ų15483.7 Ų83.772%0.7247%0.469SS*.  trans-84.7134.2174.2-64.8-164153.300112Y286 I295Y286-E298 WeakPolarHBondContact OH-CA 3.39Å; I295-E298 HydrophobicContact CD1-CG 4.08Å
299L92.1Very high91.8Very high17 Ų1782.5 Ų82.59%0.08946%0.459CS..  trans-122.1131.6169.7-17075000107.3V193 V199 F226 F282 Y286 V301V193-L299 HydrophobicContact CG1-CB 3.96Å; V193-L299 HydrophobicContact CG1-CD1 3.81Å; V193-L299 HydrophobicContact CG1-CD2 3.82Å; V193-L299 HydrophobicContact CG1-CG 4.07Å; V199-L299 HydrophobicContact CG1-CD1 4.39Å; F226-L299 HydrophobicContact CB-CD1 3.77Å; F226-L299 HydrophobicContact CD1-CD1 3.88Å; F226-L299 HydrophobicContact CD1-CD2 4.3Å; F226-L299 HydrophobicContact CD1-CG 3.99Å; F226-L299 HydrophobicContact CE1-CD2 4.32Å; F226-L299 HydrophobicContact CE1-CG 4.29Å; F226-L299 HydrophobicContact CG-CD1 3.89Å; F226-L299 HydrophobicContact CG-CD2 4.41Å; F226-L299 HydrophobicContact CG-CG 4.35Å; F226-L299 HydrophobicContact CZ-CD2 4.45Å; F282-L299 HydrophobicContact CE1-CD2 3.87Å; F282-L299 HydrophobicContact CZ-CD2 3.65Å; Y286-L299 HydrophobicContact CE2-CB 4.31Å; Y286-L299 PolarHBondContact OH-N 2.72Å; L299-V301 HydrophobicContact CB-CG1 4.27Å; L299-V301 HydrophobicContact CD2-CG1 3.87Å; L299-V301 HydrophobicContact CG-CG1 4.22Å; L299-V301 PolarHBondContact O-N 3.34Å
300P89Confident91.5Very high85 Ų8588.2 Ų88.255%0.55249%0.488SS*.  trans-75.772179.531.7-34.8000110.1R224 F226R224-P300 VanDerWaalsContact CZ-O 3.28Å; R224-P300 PolarHBondContact NH1-O 3.24Å; R224-P300 PolarHBondContact NH2-O 3.32Å; F226-P300 HydrophobicContact CD1-CG 4.26Å; F226-P300 WeakPolarHBondContact CE1-O 3.5Å
301V85.3Confident91.1Very high40 Ų4086.8 Ų86.824%0.24249%0.491CS..  trans-71.8145.3174.4-64.80000110.4F282 Y286 L299F282-V301 HydrophobicContact CE1-CG1 3.73Å; F282-V301 HydrophobicContact CZ-CG1 4.16Å; Y286-V301 HydrophobicContact CD1-CG1 4.15Å; Y286-V301 HydrophobicContact CD1-CG2 3.78Å; Y286-V301 HydrophobicContact CE1-CG1 4.27Å; Y286-V301 HydrophobicContact CE1-CG2 3.71Å; L299-V301 HydrophobicContact CB-CG1 4.27Å; L299-V301 HydrophobicContact CD2-CG1 3.87Å; L299-V301 HydrophobicContact CG-CG1 4.22Å; L299-V301 PolarHBondContact O-N 3.34Å
302D72.3Confident90.6Very high143 Ų14386.7 Ų86.777%0.76547%0.47SS*.  trans-72.30171.7-55.7-50.2000111.8R201 R224 Q283R201-D302 IonicContact NH1-OD2 2.75Å; R201-D302 PolarHBondContact NH1-OD2 2.74Å; R201-D302 VanDerWaalsContact NH1-OD2 3.16Å; R224-D302 IonicContact CZ-OD1 2.81Å; R224-D302 IonicContact NH1-OD1 3.16Å; R224-D302 PolarHBondContact NH1-OD1 3.39Å; R224-D302 IonicContact NH1-OD2 2.63Å; R224-D302 PolarHBondContact NH1-OD2 3.32Å; R224-D302 VanDerWaalsContact NH1-OD2 3.13Å; Q283-D302 PolarHBondContact NE2-O 3.31Å; Q283-D302 VanDerWaalsContact NE2-O 3.12Å

Retrieved 302 of 302 residues in 123.3 ms (Link to these results)