Z4YLI2_MOUSE Loading...

Protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession Z4YLI2, Species MOUSE (Mus musculus, Mouse), Gene Dusp13b, Length 316 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.4Very low38.2Very low238 Ų238154.5 Ų154.5100%1.17282%0.815SS**  0112.80-76.6173.1175.300108.1
2R38.1Very low37.7Very low216 Ų216151.4 Ų151.482%0.81582%0.816SS**  55.4133.8126.5-73.7-171.1170.8-13410.9115.9
3E37.8Very low37.3Very low112 Ų112147.6 Ų147.652%0.52381%0.808SS.*  cis-164.1145.811.4-122.3174.9138.200111.6
4K40.4Very low37.1Very low183 Ų183146.1 Ų146.180%0.79681%0.814SS**  trans34.6142.8137.5-62168.4-170.9162.80120.6
5G33.8Very low36.8Very low77 Ų77142.9 Ų142.979%0.79481%0.805SS**  cis-173166.516.400000114
6R37.7Very low36.7Very low241 Ų241142.8 Ų142.891%0.90981%0.808SS**  trans-71.4-174.2-176.3-90-174.9-167.4-164.73.9114.9
7P50.8Low36.1Very low112 Ų112138.2 Ų138.273%0.72780%0.8SS**  cis-139.4169.6-922.71.9000116.1
8S32Very low35.6Very low126 Ų126144.7 Ų144.788%0.88181%0.809SS**  175.5161.5127.344.20000113
9L32.8Very low35.2Very low169 Ų169144 Ų14489%0.88581%0.809SS**  trans-81.2167.4-145.3-74.7156.2000117.8
10P38.5Very low34.8Very low109 Ų109142.7 Ų142.771%0.70881%0.81SS**  trans-95.1-160.1177.944.6-36.8000110.1
11P42.6Very low34.5Very low116 Ų116142.3 Ų142.375%0.75381%0.81SS**  cis-131-177.3-15.134.8-14.9000112.4
12S32Very low34.3Very low118 Ų118135.4 Ų135.483%0.82579%0.791SS**  -178122.6123.242.70000113.1
13S33Very low33.8Very low102 Ų102133.8 Ų133.871%0.71379%0.789SS**  trans-58.3132.716447.20000112.1S15S13-S15 VanDerWaalsContact C-N 3.31Å; S13-S15 PolarHBondContact O-N 3.5Å
14S34.3Very low33.4Very low127 Ų127134.8 Ų134.889%0.88881%0.806SS**  trans-73.682.716444.80000110.2
15S32.2Very low32.9Very low97 Ų97132 Ų13268%0.67880%0.804SS**  trans-82116.716658.20000109.8S13 G17S13-S15 VanDerWaalsContact C-N 3.31Å; S13-S15 PolarHBondContact O-N 3.5Å; S15-G17 PolarHBondContact O-N 3.28Å; S15-G17 VanDerWaalsContact O-N 3.11Å
16T36.5Very low32.8Very low141 Ų141132.6 Ų132.687%0.86580%0.802SS**  trans-57.8101.9162.723.30000110.1
17G26.1Very low32.5Very low65 Ų65125.4 Ų125.467%0.6779%0.788SS**  trans-89.1122.2172.100000111.1S15S15-G17 PolarHBondContact O-N 3.28Å; S15-G17 VanDerWaalsContact O-N 3.11Å
18W27.5Very low31.6Very low255 Ų255128.9 Ų128.997%0.96679%0.787SS**  trans-65128.2163-71.479.9000109.2
19V26.7Very low31.6Very low132 Ų132128 Ų12880%0.878%0.776SS**  trans-93.3114.8170.1-178.30000108.2V21V19-V21 PolarHBondContact O-N 3.3Å
20S28.4Very low31.4Very low118 Ų118124.6 Ų124.683%0.82576%0.764SS**  trans-61.8119.9167.5-870000110A22S20-A22 PolarHBondContact O-N 3.31Å
21V28.6Very low31.1Very low135 Ų135125.1 Ų125.182%0.81876%0.76SS**  trans-73.2114.2169-175.80000107.7V19 K23V19-V21 PolarHBondContact O-N 3.3Å; V21-K23 PolarHBondContact O-N 3.39Å
22A30.7Very low30.5Very low92 Ų92124.8 Ų124.876%0.7676%0.76SS**PPolyproline II helixtrans-63131.8170.700000109.6S20S20-A22 PolarHBondContact O-N 3.31Å
23K28Very low30.6Very low182 Ų182128.3 Ų128.379%0.79176%0.761SS**PPolyproline II helixtrans-63146.5178.8-64.9177.3178.4178.20110.7V21 V25V21-K23 PolarHBondContact O-N 3.39Å; K23-V25 PolarHBondContact O-N 3.18Å
24P29.3Very low30.5Very low134 Ų134129.4 Ų129.487%0.8777%0.769SS**PPolyproline II helixtrans-62.6129.4167.126.2-31.4000109.4
25V30.1Very low30.3Very low123 Ų123126.5 Ų126.575%0.74576%0.759SS**  trans-102.8115.8169.8-177.90000106.9K23 S27K23-V25 PolarHBondContact O-N 3.18Å; V25-S27 PolarHBondContact O-N 3.34Å; V25-S27 VanDerWaalsContact O-N 3.11Å
26A31.3Very low30.4Very low91 Ų91132.9 Ų132.975%0.75278%0.775SS**  trans-68103.4164.500000107.6
27S32Very low30.1Very low89 Ų89129.6 Ų129.662%0.62277%0.768SS**  trans-95.9122.8173.748.50000109.8V25 V29V25-S27 PolarHBondContact O-N 3.34Å; V25-S27 VanDerWaalsContact O-N 3.11Å; S27-V29 PolarHBondContact O-N 3.15Å
28W32.2Very low30.5Very low185 Ų185132.2 Ų132.270%0.70178%0.776SS**  trans-79.4113.2170.4-57.894000108.1P30 F46W28-P30 WeakPolarHBondContact O-CD 3.36Å; W28-F46 HydrophobicContact CB-CD1 4.37Å; W28-F46 HydrophobicContact CB-CE1 4.21Å; W28-F46 HydrophobicContact CD2-CD1 4.03Å; W28-F46 HydrophobicContact CD2-CE1 4.26Å; W28-F46 HydrophobicContact CE3-CB 3.93Å; W28-F46 AromaticContact CE3-CD1 3.26Å; W28-F46 HydrophobicContact CE3-CD1 3.26Å; W28-F46 AromaticContact CE3-CE1 3.93Å; W28-F46 HydrophobicContact CE3-CE1 3.93Å; W28-F46 AromaticContact CE3-CG 3.85Å; W28-F46 HydrophobicContact CE3-CG 3.85Å; W28-F46 HydrophobicContact CG-CE1 4.45Å; W28-F46 HydrophobicContact CZ3-CB 3.67Å; W28-F46 AromaticContact CZ3-CD1 3.79Å; W28-F46 HydrophobicContact CZ3-CD1 3.79Å; W28-F46 AromaticContact CZ3-CG 3.88Å; W28-F46 HydrophobicContact CZ3-CG 3.88Å
29V31.1Very low31.2Very low107 Ų107125.2 Ų125.265%0.64877%0.773SS**  trans-94.1114.1174.9-176.60000108.8S27 I31S27-V29 PolarHBondContact O-N 3.15Å; V29-I31 PolarHBondContact O-N 3.27Å
30P27.9Very low31.4Very low99 Ų99124.2 Ų124.264%0.64377%0.771SS**  trans-75117.1171.828.7-30.2000109.3W28W28-P30 WeakPolarHBondContact O-CD 3.36Å
31I32.4Very low31.6Very low120 Ų120126.9 Ų126.962%0.61577%0.77SS**  trans-91.8114.9168.6-59176.3000107.1V29 F33V29-I31 PolarHBondContact O-N 3.27Å; I31-F33 HydrophobicContact CG2-CD2 4.24Å; I31-F33 HydrophobicContact CG2-CE2 3.91Å; I31-F33 HydrophobicContact CG2-CZ 4.36Å
32S30.7Very low31.8Very low109 Ų109132.4 Ų132.476%0.76278%0.776SS**  trans-94.9117.1172.5-620000108.8
33F33.3Very low32Very low191 Ų191136.8 Ų136.884%0.83878%0.781SS**  trans-83.4115.1168.2-77.2-86.5000109I31 G35I31-F33 HydrophobicContact CG2-CD2 4.24Å; I31-F33 HydrophobicContact CG2-CE2 3.91Å; I31-F33 HydrophobicContact CG2-CZ 4.36Å; F33-G35 PolarHBondContact O-N 3.45Å
34S31.2Very low32.1Very low126 Ų126136 Ų13688%0.88178%0.778SS**  trans-87.591.3166.755.40000108.9
35G31.2Very low32.2Very low66 Ų66132.7 Ų132.768%0.6876%0.761SS**  trans-115.5129.1169.400000109.9F33 G37F33-G35 PolarHBondContact O-N 3.45Å; G35-G37 PolarHBondContact O-N 3.37Å
36F34.1Very low32.3Very low231 Ų231132.5 Ų132.5100%1.01375%0.751SS**  trans-61.3121.4174.4-89.9-104.1000110.5
37G30.1Very low32.3Very low71 Ų71136.4 Ų136.473%0.73275%0.747SS**  trans162.6135.6174.200000112.2G35G35-G37 PolarHBondContact O-N 3.37Å
38S34.2Very low32.2Very low120 Ų120138.4 Ų138.484%0.83976%0.758SS**  trans-46.1145.6-16941.20000117.3C40S38-C40 PolarHBondContact O-N 2.83Å
39A41.8Very low32.2Very low108 Ų108135 Ų13589%0.89376%0.758SS**  trans-43.8108.8-17600000115.4
40C31.6Very low32.1Very low112 Ų112135.6 Ų135.676%0.75777%0.765SS**  trans-157.3126.9156.9-144.40000110S38S38-C40 PolarHBondContact O-N 2.83Å
41Q32.5Very low32.4Very low174 Ų174136.7 Ų136.781%0.81377%0.77SS**  trans24.3108.7170.8-75.2167.8-28.200119.3E43Q41-E43 PolarHBondContact O-N 2.81Å
42R32.4Very low32.3Very low251 Ų251141.4 Ų141.495%0.94778%0.781SS**  trans-72.5100.7163.6-68.1-177.9-166.3-170.74109.9
43E35.1Very low32.3Very low183 Ų183141.2 Ų141.286%0.85578%0.78SS**  trans-82.4126.2162-78.8-174.8161.600110.1Q41Q41-E43 PolarHBondContact O-N 2.81Å
44K29.7Very low32.3Very low167 Ų167137.8 Ų137.873%0.72678%0.78SS**  trans-87.2105.2171.2-68.9179.9-178.8176.50107.9F46K44-F46 HydrophobicContact CB-CE2 4.05Å; K44-F46 HydrophobicContact CB-CZ 4.34Å; K44-F46 HydrophobicContact CD-CZ 4.48Å
45A32.2Very low32.2Very low63 Ų63142.1 Ų142.152%0.52178%0.779SS.*  trans-77.1131.3167.500000109.6Y47A45-Y47 HydrophobicContact CB-CE2 3.75Å
46F31Very low32.2Very low119 Ų119144 Ų14452%0.52278%0.781SS.*  trans-111.7128.9175.5-67.1-83000110.1W28 K44W28-F46 HydrophobicContact CB-CD1 4.37Å; W28-F46 HydrophobicContact CB-CE1 4.21Å; W28-F46 HydrophobicContact CD2-CD1 4.03Å; W28-F46 HydrophobicContact CD2-CE1 4.26Å; W28-F46 HydrophobicContact CE3-CB 3.93Å; W28-F46 AromaticContact CE3-CD1 3.26Å; W28-F46 HydrophobicContact CE3-CD1 3.26Å; W28-F46 AromaticContact CE3-CE1 3.93Å; W28-F46 HydrophobicContact CE3-CE1 3.93Å; W28-F46 AromaticContact CE3-CG 3.85Å; W28-F46 HydrophobicContact CE3-CG 3.85Å; W28-F46 HydrophobicContact CG-CE1 4.45Å; W28-F46 HydrophobicContact CZ3-CB 3.67Å; W28-F46 AromaticContact CZ3-CD1 3.79Å; W28-F46 HydrophobicContact CZ3-CD1 3.79Å; W28-F46 AromaticContact CZ3-CG 3.88Å; W28-F46 HydrophobicContact CZ3-CG 3.88Å; K44-F46 HydrophobicContact CB-CE2 4.05Å; K44-F46 HydrophobicContact CB-CZ 4.34Å; K44-F46 HydrophobicContact CD-CZ 4.48Å
47Y30.9Very low31.9Very low174 Ų174141.5 Ų141.568%0.68278%0.777SS**  trans-119.7136.5177-60.2-86.6000109.7A45 V49A45-Y47 HydrophobicContact CB-CE2 3.75Å; Y47-V49 PolarHBondContact O-N 2.72Å
48P30.9Very low32Very low130 Ų130149.4 Ų149.484%0.84479%0.785SS**  trans-74.9117.5168.529.1-30.1000109.4
49V31.5Very low31.8Very low115 Ų115146.7 Ų146.770%0.69778%0.777SS**  trans-110.5121.2165.3-175.50000107.3Y47 T51Y47-V49 PolarHBondContact O-N 2.72Å; V49-T51 HydrophobicContact CG1-CG2 3.87Å
50C29Very low31.3Very low119 Ų119148 Ų14880%0.80478%0.776SS**  trans-89.3105.6167.4-72.80000108.4
51T34.9Very low31.2Very low122 Ų122146.3 Ų146.375%0.74878%0.777SS**  trans-97.7130.6167.852.20000109.5V49V49-T51 HydrophobicContact CG1-CG2 3.87Å
52Y31.1Very low31.1Very low218 Ų218145.1 Ų145.186%0.85578%0.781SS**  trans-105.3132.9163.7-78.3-87.6000108S54Y52-S54 PolarHBondContact O-N 2.86Å
53S30.4Very low31Very low105 Ų105139 Ų13973%0.73477%0.771SS**PPolyproline II helixtrans-60.5122.7168.9-660000109.4
54S31.9Very low30.8Very low119 Ų119137.9 Ų137.983%0.83277%0.772SS**PPolyproline II helixtrans-68.9125.916737.70000109.4Y52Y52-S54 PolarHBondContact O-N 2.86Å
55Y29.8Very low30.9Very low218 Ų218138.5 Ų138.586%0.85578%0.777SS**PPolyproline II helixtrans-84.8132.7167.1-66.5-81.3000109.4
56S31.5Very low30.8Very low106 Ų106138.9 Ų138.974%0.74179%0.787SS**  trans-95.5113.2170.8-169.30000108.6
57L27.9Very low30.8Very low177 Ų177145.3 Ų145.393%0.92781%0.808SS**  trans-78.2116.3166.5-74.4167.3000107.9
58R32.1Very low30.6Very low237 Ų237146.9 Ų146.989%0.89482%0.818SS**  trans-104106.9175.4-146.2-175.9-76-121.75.6108.1
59G30.2Very low30.7Very low64 Ų64145.6 Ų145.666%0.6681%0.81SS**  trans-81.3158.9166.300000111.3
60P31.2Very low30.5Very low136 Ų136149 Ų14988%0.88382%0.816SS**  trans-88133.1-172.933.2-30.4000113.3
61G29.1Very low30.6Very low75 Ų75149.5 Ų149.577%0.77382%0.818SS**  trans66.7133.4158.800000116.3
62V29.3Very low30.2Very low149 Ų149150.8 Ų150.890%0.90382%0.819SS**  -150144.153.1171.80000109.7
63V32Very low30Very low122 Ų122152 Ų15274%0.73982%0.822SS**  trans-81.5130.8176.4175.20000109.5Q65V63-Q65 HydrophobicContact CG1-CG 4.37Å
64D29.8Very low29.8Very low161 Ų161157 Ų15786%0.86183%0.826SS**  trans-137.2139.5148-159.810.2000110.1
65Q32.2Very low29.5Very low179 Ų179159.8 Ų159.884%0.83683%0.827SS**  trans-90.6125.2-163.6-66.9-176.92.100111.7V63V63-Q65 HydrophobicContact CG1-CG 4.37Å
66G29.8Very low29.3Very low71 Ų71154 Ų15473%0.73282%0.824SS**  trans17896.7166.600000115.2
67R30.3Very low29Very low254 Ų254156.7 Ų156.796%0.95882%0.824SS**  trans54.5114.3157.7-63.5-176.8-176.9-164.80.9119.6
68F27.4Very low28.8Very low207 Ų207154.4 Ų154.491%0.90882%0.818SS**  trans-74.6166.9163.4-76.1-80.5000112
69P34.3Very low28.4Very low104 Ų104150.3 Ų150.368%0.67581%0.813SS**  cis-139.115619.638.8-18.3000117.8
70F26.3Very low28.1Very low187 Ų187152.9 Ų152.982%0.8282%0.815SS**  trans47128.8165.1-57.8-72.5000121.5
71P31Very low27.9Very low128 Ų128151.8 Ų151.883%0.83181%0.808SS**  trans-91.7110.5147.331.2-23.5000110.6R73P71-R73 PolarHBondContact O-N 3.07Å
72L27.1Very low27.8Very low150 Ų150156.2 Ų156.279%0.78581%0.813SS**  trans-56120.7160.1-84.1141.8000109.7
73R26.6Very low27.8Very low242 Ų242155.6 Ų155.691%0.91381%0.81SS**  trans-97.1111.2157.7-82.9-169.9175.9-169.7-0.6108.3P71 Q75P71-R73 PolarHBondContact O-N 3.07Å; R73-Q75 PolarHBondContact O-N 3.11Å
74Y25.1Very low27.8Very low210 Ų210155.7 Ų155.782%0.82481%0.813SS**  trans-66.9122.1163.6-86.4-94.8000109.2
75Q26.9Very low27.7Very low179 Ų179157.7 Ų157.784%0.83682%0.817SS**  trans-115.3107.8151.7-83.6-170.7-24.500106.8R73 Q77R73-Q75 PolarHBondContact O-N 3.11Å; Q75-Q77 PolarHBondContact O-N 3.21Å
76A24.3Very low27.4Very low96 Ų96156 Ų15679%0.79381%0.813SS**  trans-70.7119.8169.400000108.6
77Q27Very low27.2Very low162 Ų162159.1 Ų159.176%0.75782%0.822SS**  trans-93.8117.4166-67.5178.8300107.5Q75Q75-Q77 PolarHBondContact O-N 3.21Å
78V22.2Very low27.1Very low130 Ų130156.4 Ų156.479%0.78882%0.817SS**  trans-88.7108.6168.6179.50000107.3V80V78-V80 HydrophobicContact CG1-CG2 4.14Å
79L24.7Very low27.1Very low151 Ų151150 Ų15079%0.79181%0.81SS**  trans-95.5120.8169.9-91.4143.1000108.3
80V23.7Very low27Very low117 Ų117150.4 Ų150.471%0.70981%0.813SS**  trans-108.7117170-1730000108.1V78V78-V80 HydrophobicContact CG1-CG2 4.14Å
81P26Very low27.2Very low114 Ų114149.5 Ų149.574%0.7482%0.816SS**PPolyproline II helixtrans-84.9129.2175.430.7-28.4000110.7
82L27.7Very low27Very low168 Ų168147 Ų14788%0.8881%0.814SS**PPolyproline II helixtrans-104120.4162.8-70.9171.5000108.1
83T30Very low27.1Very low136 Ų136148.1 Ų148.183%0.83482%0.82SS**PPolyproline II helixtrans-82.2139178.240.70000111.2
84P31.7Very low27Very low124 Ų124142.2 Ų142.281%0.80582%0.816SS**PPolyproline II helixtrans-97.2133.6164.620.7-6.8000111.7
85Q27.8Very low27.4Very low202 Ų202141.4 Ų141.494%0.94482%0.819SS**PPolyproline II helixtrans-83.3143.3164.9-76-157.4-6.800111.3
86L26.4Very low27.2Very low144 Ų144141.8 Ų141.875%0.75482%0.823SS**PPolyproline II helixtrans-99.5132.4-172.8-141.592.9000110.5K88L86-K88 HydrophobicContact CD2-CG 4.17Å
87C25.8Very low27.7Very low137 Ų137143.9 Ų143.993%0.92683%0.826SS**  trans-124.5124.5159.3-73.30000109.2
88K28.1Very low27.8Very low196 Ų196141.8 Ų141.885%0.85283%0.827SS**  trans-96.9149.8178-76.4-177.9175.4179.80111.4L86L86-K88 HydrophobicContact CD2-CG 4.17Å
89G27.2Very low27.9Very low73 Ų73142 Ų14275%0.75382%0.824SS**  trans-148.8145.1159.300000110.2
90P31.8Very low28.1Very low112 Ų112142.9 Ų142.973%0.72783%0.827SS**  trans-100149.6-158.437.4-32.1000115.4
91D29.5Very low28.4Very low168 Ų168141.8 Ų141.890%0.89882%0.821SS**  trans47.8131.4138.3-51.9-26.3000122.2
92G27.5Very low28.3Very low76 Ų76144 Ų14478%0.78482%0.821SS**  trans162.894.215700000114.4
93L29.1Very low28.2Very low173 Ų173141.5 Ų141.591%0.90682%0.818SS**  trans-53.1136.3163.1-103.484.1000110.9
94S25.3Very low27.9Very low118 Ų118143.8 Ų143.883%0.82582%0.817SS**  trans-161.5126.3142-83.10000110.8
95Q32.2Very low27.5Very low193 Ų193149.7 Ų149.790%0.90282%0.823SS**  trans-71.1137.8168.1-68.9177.8-7.600109.7
96M24.2Very low27.4Very low187 Ų187146.6 Ų146.692%0.92182%0.818SS**  trans-144117.9158.3-83.2-171.5166.100109.6
97T33.6Very low27.2Very low140 Ų140150.5 Ų150.586%0.85982%0.822SS**  trans-76.3144.6160.146.70000109.8
98P28.8Very low27.1Very low118 Ų118150.1 Ų150.177%0.76682%0.818SS**  -143.2130.6120.227-7.5000111.9
99D24.3Very low26.9Very low136 Ų136147 Ų14773%0.72782%0.815SS**  91.4108.484.4-155.80.5000111.1
100I29.6Very low26.8Very low168 Ų168152.8 Ų152.886%0.86282%0.823SS**  trans-98.885.9-176.2-56.8172.7000106.4
101T30Very low26.6Very low94 Ų94152.8 Ų152.858%0.57782%0.82SS**  trans-139.8102.9162.3510000107.9
102H25.1Very low26.3Very low160 Ų160155.4 Ų155.474%0.74182%0.819SS**  trans163.9102.6133.4-81.9-59.6000109.6F104H102-F104 HydrophobicContact CB-CD2 4.35Å; H102-F104 HydrophobicContact CB-CE2 3.97Å; H102-F104 PolarHBondContact O-N 3.4Å
103S25.4Very low26.3Very low117 Ų117160.9 Ų160.982%0.81882%0.816SS**  trans-68.3121.8164.953.80000109.8
104F23.6Very low26.3Very low184 Ų184158.4 Ų158.481%0.80781%0.811SS**  trans-109.6111.4162.8-79.5-82000109.6H102H102-F104 HydrophobicContact CB-CD2 4.35Å; H102-F104 HydrophobicContact CB-CE2 3.97Å; H102-F104 PolarHBondContact O-N 3.4Å
105R23.3Very low26.5Very low247 Ų247161.2 Ų161.293%0.93281%0.811SS**  trans-73.3126.9165.7-80.9-175.9-174.4177.22.2108.5
106V25Very low26.6Very low138 Ų138157.7 Ų157.784%0.83681%0.805SS**  trans-104.1121.1163.4-1750000107.5
107R22.8Very low26.9Very low225 Ų225158 Ų15885%0.84980%0.804SS**PPolyproline II helixtrans-79.6143.3171.1-72.8-171.4-177.2-160.92.2109.4
108P23Very low26.8Very low130 Ų130155.1 Ų155.184%0.84480%0.802SS**PPolyproline II helixtrans-76.1129.2174.230.2-30.1000110.1
109V24.9Very low26.9Very low129 Ų129158.9 Ų158.978%0.78281%0.812SS**PPolyproline II helixtrans-99.4121.4165.4177.40000107.6V111V109-V111 HydrophobicContact CG1-CG2 4.42Å
110Q24Very low27.2Very low195 Ų195159.6 Ų159.691%0.91182%0.815SS**PPolyproline II helixtrans-81.2122.9176.8-165.5169.22.100108.3
111V27Very low27.2Very low112 Ų112155.8 Ų155.868%0.67980%0.804SS**  trans-111.5120.5-177.1-175.60000109.7V109V109-V111 HydrophobicContact CG1-CG2 4.42Å
112Y24.3Very low27.3Very low223 Ų223158.9 Ų158.988%0.87582%0.816SS**PPolyproline II helixtrans-95.5144.3170.5-144.5-93.6000109.1
113W27.6Very low27.6Very low191 Ų191160.3 Ų160.372%0.72382%0.823SS**PPolyproline II helixtrans-88.9135.4179.1-60.6103.4000111
114P28.9Very low28.1Very low122 Ų122164.6 Ų164.679%0.79283%0.827SS**PPolyproline II helixtrans-91.5140.2165.532.6-26.5000111.7
115E28.9Very low28.3Very low177 Ų177165 Ų16583%0.82783%0.831SS**PPolyproline II helixtrans-66.6150.5175-76.8-8413900112.7
116P35Very low29Very low118 Ų118160.3 Ų160.377%0.76682%0.82SS**PPolyproline II helixtrans-86.2122.2-177.931.8-29.5000112.5
117Q29.3Very low29.5Very low194 Ų194162 Ų16291%0.90782%0.824SS**PPolyproline II helixtrans-81.4139.6165.2-71.7-176.7-14.500110.7
118G32.7Very low30.3Very low80 Ų80161.8 Ų161.883%0.82582%0.823SS**PPolyproline II helixtrans-67.3153.9-168.800000115.8
119M29.9Very low31.1Very low196 Ų196166.4 Ų166.497%0.96682%0.823SS**  trans-114.7120164.8-73.8-178.776.500108.7
120D31.4Very low31.5Very low151 Ų151165.7 Ų165.781%0.80782%0.821SS**  trans-98.6149.4177.9-150.6-16.5000109.8
121S29.2Very low32.3Very low88 Ų88165.1 Ų165.162%0.61582%0.816SS**  trans80.7123.1149.2-43.30000122.1
122L31.3Very low33.4Very low159 Ų159167.2 Ų167.283%0.83282%0.822SS**  trans86.6100.8145.2-61.1167000120.1
123Q31.8Very low34.4Very low190 Ų190165 Ų16589%0.88882%0.819SS**  -173.9106.695.1-97.9167.5-6.100110.9
124K35.2Very low35Very low208 Ų208158.1 Ų158.190%0.90481%0.808SS**  trans-77.1121.8161-84.6175.6174.4173.50107.9
125Q29.2Very low36Very low192 Ų192157.1 Ų157.190%0.89781%0.809SS**  trans-150.3150.2146.6-124172.7-14.600111.3
126E36.7Very low36.7Very low148 Ų148154.6 Ų154.669%0.69281%0.806SS**  trans-75.3138-146.3-58.2-172.4124.400115.3
127L36.2Very low37.2Very low175 Ų175157.2 Ų157.292%0.91681%0.808SS**  trans-127.298.1147.4-87.9160000107.3R129L127-R129 PolarHBondContact O-N 2.84Å
128R39.2Very low38.2Very low219 Ų219153.8 Ų153.883%0.82680%0.8SS**  trans-63.399.7170.6-74.6-172.3177.3176.2-0.7109
129R39.7Very low39.2Very low228 Ų228154.6 Ų154.686%0.8679%0.793SS**  trans-86.9139170.9-153.8173.2-178.2-177.70.3109.1L127 K131L127-R129 PolarHBondContact O-N 2.84Å; R129-K131 PolarHBondContact O-N 3.08Å
130P34.5Very low41.2Very low113 Ų113149.4 Ų149.473%0.73477%0.774SS**  trans-60.8133.4179.5-18.830000111.1I132P130-I132 PolarHBondContact O-N 3.31Å
131K41.4Very low43Very low184 Ų184145.4 Ų145.480%0.875%0.748SS**  trans-69.694174.4-77.8-178.9176.5-179.60110R129R129-K131 PolarHBondContact O-N 3.08Å
132I49.5Very low45.2Very low156 Ų156148.8 Ų148.880%0.875%0.754SS**  trans-88.8102.7159.9-56.6-178.5000106.4P130 G134P130-I132 PolarHBondContact O-N 3.31Å; I132-G134 VanDerWaalsContact C-N 3.27Å; I132-G134 PolarHBondContact O-N 2.8Å
133H45.6Very low47.4Very low175 Ų175144.2 Ų144.281%0.8173%0.734SS**  trans-72.189.7167.9-71.682.7000108.1
134G40.2Very low50.1Low48 Ų48136 Ų13650%0.49570%0.697SS.*  trans-149.895.516400000105.8I132 V136I132-G134 VanDerWaalsContact C-N 3.27Å; I132-G134 PolarHBondContact O-N 2.8Å; G134-V136 PolarHBondContact O-N 2.92Å
135A48.2Very low52.8Low100 Ų100130.2 Ų130.283%0.82668%0.679SS**  trans-62.592.4167.200000106.6Q137A135-Q137 PolarHBondContact O-N 3.27Å
136V44.3Very low55.7Low124 Ų124123.6 Ų123.675%0.75265%0.65SS**  trans-63.799.1162.8177.30000103.9G134 V138G134-V136 PolarHBondContact O-N 2.92Å; V136-V138 HydrophobicContact CG1-CG2 4.37Å; V136-V138 PolarHBondContact O-N 2.96Å
137Q46.2Very low58.3Low174 Ų174118.8 Ų118.881%0.81364%0.635SS**  trans-56.493.4161.9-80.2-84-26.800105.7A135 S139A135-Q137 PolarHBondContact O-N 3.27Å; Q137-S139 PolarHBondContact O-N 3.43Å
138V49.2Very low60.9Low122 Ų122112.6 Ų112.674%0.73961%0.607SS**  trans-64.8108.2169.2-177.10000104.2V136V136-V138 HydrophobicContact CG1-CG2 4.37Å; V136-V138 PolarHBondContact O-N 2.96Å
139S54.4Low63.4Low97 Ų97102.2 Ų102.268%0.67857%0.567SS**PPolyproline II helixtrans-50128.9179.3-178.60000108.8Q137 Y141Q137-S139 PolarHBondContact O-N 3.43Å; S139-Y141 PolarHBondContact O-N 3.34Å; S139-Y141 VanDerWaalsContact O-N 3.13Å
140P71.6Confident65.8Low87 Ų8794 Ų9457%0.56554%0.539SS*.PPolyproline II helixtrans-57.8124-17820.4-29.8000108.9Q142P140-Q142 PolarHBondContact O-N 2.53Å; P140-Q142 VanDerWaalsContact O-N 3.08Å
141Y70.1Confident68.5Low67 Ų6797 Ų9726%0.26354%0.535SS..PPolyproline II helixtrans-53.9120179.1175.2-103000109.6S139 P144 T278 V280 D306 R310S139-Y141 PolarHBondContact O-N 3.34Å; S139-Y141 VanDerWaalsContact O-N 3.13Å; Y141-P144 VanDerWaalsContact OH-CD 3.27Å; Y141-P144 WeakPolarHBondContact OH-CD 3.5Å; Y141-T278 HydrophobicContact CD1-CG2 4.36Å; Y141-T278 HydrophobicContact CD2-CG2 4.34Å; Y141-T278 HydrophobicContact CE1-CG2 4.09Å; Y141-T278 HydrophobicContact CE2-CG2 4.03Å; Y141-T278 HydrophobicContact CG-CG2 4.5Å; Y141-V280 HydrophobicContact CE2-CG2 4.41Å; Y141-V280 WeakPolarHBondContact OH-CG2 3.49Å; Y141-D306 WeakPolarHBondContact CE1-OD2 3.43Å; Y141-R310 VanDerWaalsContact CD1-NH1 3.29Å; Y141-R310 PolarHBondContact O-NH1 3.4Å; Y141-R310 PolarHBondContact O-NH2 3.3Å
142Q75.4Confident70.8Confident159 Ų15989.8 Ų89.874%0.74351%0.506SS*.PPolyproline II helixtrans-91.9131.8174.6-70-171.9-15.400109.1P140P140-Q142 PolarHBondContact O-N 2.53Å; P140-Q142 VanDerWaalsContact O-N 3.08Å
143P77.1Confident72.7Confident62 Ų6282.4 Ų82.440%0.40347%0.468SS..PPolyproline II helixtrans-58.5129.4177-7.617.9000109.2T145 N307P143-T145 PolarHBondContact O-N 3.02Å; P143-N307 WeakPolarHBondContact CB-OD1 3.34Å; P143-N307 WeakPolarHBondContact CG-OD1 3.36Å
144P87.9Confident74.5Confident18 Ų1880.9 Ų80.912%0.11746%0.455CS..PPolyproline II helixtrans-66.1138.8-177.329.1-37.6000109.5Y141 L149 V280 Q303Y141-P144 VanDerWaalsContact OH-CD 3.27Å; Y141-P144 WeakPolarHBondContact OH-CD 3.5Å; P144-L149 HydrophobicContact CB-CD2 3.83Å; P144-L149 HydrophobicContact CB-CG 3.97Å; P144-L149 HydrophobicContact CG-CD1 4.27Å; P144-L149 HydrophobicContact CG-CD2 3.6Å; P144-L149 HydrophobicContact CG-CG 3.98Å; P144-V280 HydrophobicContact CB-CG2 4.06Å; P144-V280 HydrophobicContact CG-CG2 3.82Å; P144-Q303 PolarHBondContact O-NE2 3Å
145T92.1Very high76.4Confident86 Ų8684.3 Ų84.353%0.52847%0.466SS..PPolyproline II helixtrans-65.8159.2169.270.50000111P143 A147 S148 L149P143-T145 PolarHBondContact O-N 3.02Å; T145-A147 VanDerWaalsContact C-N 3.25Å; T145-A147 PolarHBondContact O-N 3.33Å; T145-S148 WeakPolarHBondContact CA-OG 3.39Å; T145-S148 PolarHBondContact N-OG 2.99Å; T145-S148 PolarHBondContact O-N 3.19Å; T145-S148 PolarHBondContact O-OG 2.82Å; T145-S148 PolarHBondContact OG1-N 3.42Å; T145-S148 VanDerWaalsContact OG1-N 3.08Å; T145-S148 PolarHBondContact OG1-OG 2.93Å; T145-L149 WeakPolarHBondContact O-CG 3.46Å; T145-L149 PolarHBondContact O-N 2.89Å
146L90.5Very high77.5Confident54 Ų5486.7 Ų86.728%0.28345%0.454SS..Hα-helixtrans-59.8-39.9176-176.764.5000111.3S148 L149 Q150 L299 Q303L146-S148 PolarHBondContact O-N 3.03Å; L146-L149 PolarHBondContact O-N 3.1Å; L146-Q150 WeakPolarHBondContact O-CG 3.15Å; L146-Q150 PolarHBondContact O-N 2.72Å; L146-L299 HydrophobicContact CD1-CB 3.52Å; L146-L299 HydrophobicContact CD1-CD1 3.92Å; L146-L299 HydrophobicContact CD1-CG 4.38Å; L146-Q303 VanDerWaalsContact N-NE2 3.19Å
147A90.3Very high78.9Confident47 Ų4787.7 Ų87.739%0.38844%0.444SS..Hα-helixtrans-62.6-39.9177.200000112.4T145 R151T145-A147 VanDerWaalsContact C-N 3.25Å; T145-A147 PolarHBondContact O-N 3.33Å; A147-R151 WeakPolarHBondContact O-CG 3.46Å; A147-R151 PolarHBondContact O-N 2.81Å
148S91Very high80.4Confident45 Ų4583 Ų8332%0.31543%0.427SS..Hα-helixtrans-67.2-38.417545.50000112.6T145 L146 R151 L152T145-S148 WeakPolarHBondContact CA-OG 3.39Å; T145-S148 PolarHBondContact N-OG 2.99Å; T145-S148 PolarHBondContact O-N 3.19Å; T145-S148 PolarHBondContact O-OG 2.82Å; T145-S148 PolarHBondContact OG1-N 3.42Å; T145-S148 VanDerWaalsContact OG1-N 3.08Å; T145-S148 PolarHBondContact OG1-OG 2.93Å; L146-S148 PolarHBondContact O-N 3.03Å; S148-R151 PolarHBondContact O-N 2.77Å; S148-L152 PolarHBondContact O-N 3.17Å
149L91.6Very high81.4Confident1 Ų182.4 Ų82.41%0.00544%0.435CS..Hα-helixtrans-63.7-45.7175.1-67.6173.1000111.3P144 T145 L146 R151 L152 L153 L279 I283 L299 Q303P144-L149 HydrophobicContact CB-CD2 3.83Å; P144-L149 HydrophobicContact CB-CG 3.97Å; P144-L149 HydrophobicContact CG-CD1 4.27Å; P144-L149 HydrophobicContact CG-CD2 3.6Å; P144-L149 HydrophobicContact CG-CG 3.98Å; T145-L149 WeakPolarHBondContact O-CG 3.46Å; T145-L149 PolarHBondContact O-N 2.89Å; L146-L149 PolarHBondContact O-N 3.1Å; L149-R151 VanDerWaalsContact C-N 3.35Å; L149-R151 PolarHBondContact O-N 3.31Å; L149-L152 WeakPolarHBondContact O-CB 3.36Å; L149-L152 PolarHBondContact O-N 2.79Å; L149-L153 VanDerWaalsContact O-CG 3.29Å; L149-L153 WeakPolarHBondContact O-CG 3.25Å; L149-L153 PolarHBondContact O-N 3.3Å; L149-L279 HydrophobicContact CD1-CD2 3.62Å; L149-L279 HydrophobicContact CD2-CD2 4.03Å; L149-L279 HydrophobicContact CD2-CG 4.08Å; L149-L279 HydrophobicContact CG-CD2 4.49Å; L149-I283 HydrophobicContact CD2-CD1 3.7Å; L149-L299 HydrophobicContact CB-CD1 4.47Å; L149-Q303 HydrophobicContact CD1-CG 3.7Å
150Q90.8Very high82.5Confident54 Ų5483 Ų8325%0.25244%0.435SS..Hα-helixtrans-61.5-42.6177.2-72.7174.4-37.900112L146 L152 L153 W154 L299L146-Q150 WeakPolarHBondContact O-CG 3.15Å; L146-Q150 PolarHBondContact O-N 2.72Å; Q150-L152 PolarHBondContact O-N 3.18Å; Q150-L153 PolarHBondContact O-N 2.64Å; Q150-W154 HydrophobicContact CB-CE3 4.23Å; Q150-W154 HydrophobicContact CB-CH2 3.92Å; Q150-W154 HydrophobicContact CB-CZ2 4.22Å; Q150-W154 HydrophobicContact CB-CZ3 3.92Å; Q150-W154 HydrophobicContact CG-CH2 4.34Å; Q150-W154 HydrophobicContact CG-CZ2 4.46Å; Q150-W154 VanDerWaalsContact O-CD2 3.32Å; Q150-W154 VanDerWaalsContact O-CG 3.32Å; Q150-W154 PolarHBondContact O-N 3.38Å; Q150-L299 HydrophobicContact CG-CD1 4.06Å
151R90.8Very high83.1Confident176 Ų17682.2 Ų82.266%0.66443%0.426SS*.Hα-helixtrans-60.2-45.2174.3-76.3177.2-175.3153.51.8112A147 S148 L149 L153 W154 V155A147-R151 WeakPolarHBondContact O-CG 3.46Å; A147-R151 PolarHBondContact O-N 2.81Å; S148-R151 PolarHBondContact O-N 2.77Å; L149-R151 VanDerWaalsContact C-N 3.35Å; L149-R151 PolarHBondContact O-N 3.31Å; R151-L153 PolarHBondContact O-N 2.98Å; R151-W154 PolarHBondContact O-N 3.5Å; R151-V155 WeakPolarHBondContact O-CB 3.43Å; R151-V155 VanDerWaalsContact O-CG2 3.23Å; R151-V155 WeakPolarHBondContact O-CG2 3.24Å; R151-V155 PolarHBondContact O-N 2.96Å
152L89.6Confident84.2Confident34 Ų3482.3 Ų82.318%0.17843%0.433CS..Hα-helixtrans-55.9-44.4176.1179.362000110.9S148 L149 Q150 W154 V280 I283 Q284 Q287S148-L152 PolarHBondContact O-N 3.17Å; L149-L152 WeakPolarHBondContact O-CB 3.36Å; L149-L152 PolarHBondContact O-N 2.79Å; Q150-L152 PolarHBondContact O-N 3.18Å; L152-W154 VanDerWaalsContact C-N 3.34Å; L152-W154 PolarHBondContact O-N 2.98Å; L152-V280 HydrophobicContact CD2-CG1 4.24Å; L152-I283 HydrophobicContact CD2-CB 4.18Å; L152-I283 HydrophobicContact CD2-CG2 3.65Å; L152-I283 HydrophobicContact CG-CG2 4.03Å; L152-Q284 HydrophobicContact CD1-CG 4.48Å; L152-Q284 HydrophobicContact CD2-CG 4.41Å; L152-Q287 PolarHBondContact O-OE1 3.05Å
153L89.3Confident85.2Confident1 Ų179 Ų791%0.00542%0.417CS..Hα-helixtrans-70.4-25.7-178-65.7165000114.4L149 Q150 R151 I283 Q287 I292 L299L149-L153 VanDerWaalsContact O-CG 3.29Å; L149-L153 WeakPolarHBondContact O-CG 3.25Å; L149-L153 PolarHBondContact O-N 3.3Å; Q150-L153 PolarHBondContact O-N 2.64Å; R151-L153 PolarHBondContact O-N 2.98Å; L153-I283 HydrophobicContact CD2-CG2 3.63Å; L153-I283 HydrophobicContact CG-CG2 4.41Å; L153-Q287 VanDerWaalsContact CA-NE2 3.33Å; L153-Q287 HydrophobicContact CD2-CG 4.38Å; L153-Q287 PolarHBondContact O-NE2 3.43Å; L153-I292 HydrophobicContact CD2-CD1 4.35Å; L153-I292 HydrophobicContact CD2-CG1 4.13Å; L153-I292 WeakPolarHBondContact CD2-O 3.31Å; L153-L299 HydrophobicContact CD1-CD1 3.8Å; L153-L299 HydrophobicContact CD1-CD2 3.85Å; L153-L299 HydrophobicContact CD1-CG 4.42Å
154W84.6Confident86.2Confident142 Ų14277.1 Ų77.154%0.53840%0.404SS..Hα-helixtrans-94.8-28.1-177.3-66.1-26.4000114.3Q150 R151 L152Q150-W154 HydrophobicContact CB-CE3 4.23Å; Q150-W154 HydrophobicContact CB-CH2 3.92Å; Q150-W154 HydrophobicContact CB-CZ2 4.22Å; Q150-W154 HydrophobicContact CB-CZ3 3.92Å; Q150-W154 HydrophobicContact CG-CH2 4.34Å; Q150-W154 HydrophobicContact CG-CZ2 4.46Å; Q150-W154 VanDerWaalsContact O-CD2 3.32Å; Q150-W154 VanDerWaalsContact O-CG 3.32Å; Q150-W154 PolarHBondContact O-N 3.38Å; R151-W154 PolarHBondContact O-N 3.5Å; L152-W154 VanDerWaalsContact C-N 3.34Å; L152-W154 PolarHBondContact O-N 2.98Å
155V80.2Confident86.7Confident121 Ų12177.9 Ų77.973%0.73341%0.407SS*.Hα-helixtrans-76.5-33-176.9171.90000111.9R151R151-V155 WeakPolarHBondContact O-CB 3.43Å; R151-V155 VanDerWaalsContact O-CG2 3.23Å; R151-V155 WeakPolarHBondContact O-CG2 3.24Å; R151-V155 PolarHBondContact O-N 2.96Å
156R70.4Confident87Confident150 Ų15077.8 Ų77.857%0.56640%0.4SS*.SBendtrans-106.491.1-178-68.3-174.5176.1-171.8-0.5110.1
157R74.6Confident87.4Confident145 Ų14575.2 Ų75.255%0.54739%0.387SS..  trans-126.9138.7175-72.8-169176.3-169.7-3.6112.1D291R157-D291 WeakPolarHBondContact CA-OD1 3.21Å; R157-D291 WeakPolarHBondContact CA-OD2 3.49Å; R157-D291 VanDerWaalsContact CB-OD2 3.3Å; R157-D291 WeakPolarHBondContact CB-OD2 3.41Å
158T75.9Confident87.8Confident76 Ų7676.2 Ų76.247%0.46638%0.381SS..  trans-80.8154.317260.30000110.5T160 D291T158-T160 PolarHBondContact O-N 3.38Å; T158-T160 PolarHBondContact OG1-O 2.88Å; T158-D291 VanDerWaalsContact N-CG 3.29Å; T158-D291 PolarHBondContact N-OD1 2.72Å; T158-D291 PolarHBondContact N-OD2 3.18Å; T158-D291 PolarHBondContact OG1-OD1 3.05Å; T158-D291 PolarHBondContact OG1-OD2 2.87Å
159A71.4Confident88.1Confident109 Ų10977.8 Ų77.890%0.90139%0.39SS*.SBendtrans-67.9-24.7-178.700000113
160T78.3Confident88.5Confident110 Ų11080.4 Ų80.468%0.67540%0.404SS*.  trans-135.3143.4-179.455.30000110.6T158T158-T160 PolarHBondContact O-N 3.38Å; T158-T160 PolarHBondContact OG1-O 2.88Å
161L82.4Confident88.8Confident70 Ų7077.8 Ų77.837%0.36639%0.392SS..  trans-109.8113173.4-17564000108.2V260 R290 D291L161-V260 HydrophobicContact CD2-CG2 3.71Å; L161-R290 HydrophobicContact CD1-CG 3.74Å; L161-D291 HydrophobicContact CD1-CB 4.21Å
162T93Very high89.2Confident68 Ų6869.8 Ų69.842%0.41736%0.362SS..  trans-75.1167.1174.354.10000110.5I164 N165 R290T162-I164 VanDerWaalsContact C-N 3.33Å; T162-I164 PolarHBondContact O-N 2.85Å; T162-I164 PolarHBondContact OG1-O 3.08Å; T162-N165 VanDerWaalsContact OG1-CG 3.26Å; T162-N165 PolarHBondContact OG1-ND2 3.1Å; T162-N165 PolarHBondContact OG1-OD1 2.87Å; T162-R290 PolarHBondContact O-NH1 3.12Å
163H97.5Very high89.7Confident89 Ų8968.2 Ų68.241%0.41235%0.353SS..SBendtrans-72-25.7-178.8-65.2-58.8000114G174 D175 Y177 A178H163-G174 CarbonylContact O-C 3.55Å; H163-G174 WeakPolarHBondContact O-CA 3.5Å; H163-D175 WeakPolarHBondContact CA-OD2 2.86Å; H163-D175 IonicContact CE1-OD2 3.81Å; H163-D175 IonicContact CG-OD1 3.94Å; H163-D175 IonicContact CG-OD2 3.57Å; H163-D175 IonicContact ND1-OD1 3.63Å; H163-D175 IonicContact ND1-OD2 2.74Å; H163-D175 PolarHBondContact ND1-OD2 3.5Å; H163-D175 PolarHBondContact O-N 2.91Å; H163-Y177 HydrophobicContact CB-CD1 4.02Å; H163-Y177 AromaticContact CD2-CD1 3.42Å; H163-Y177 VanDerWaalsContact CD2-CD1 3.42Å; H163-Y177 WeakPolarHBondContact CD2-CD1 3.42Å; H163-Y177 AromaticContact CD2-CE1 3.72Å; H163-Y177 AromaticContact CE1-CD1 4Å; H163-Y177 AromaticContact CE1-CG 3.95Å; H163-Y177 AromaticContact CG-CD1 3.5Å; H163-Y177 VanDerWaalsContact CG-CD1 3.5Å; H163-Y177 AromaticContact ND1-CD1 3.86Å; H163-Y177 AromaticContact ND1-CG 3.93Å; H163-Y177 AromaticContact NE2-CD1 3.78Å; H163-A178 HydrophobicContact CB-CB 4.08Å; H163-A178 WeakPolarHBondContact O-CB 3.33Å
164I98.1Very high90.1Very high23 Ų2368.1 Ų68.112%0.11835%0.353CS..EExtended strand (participates in β ladder)trans-151.6142-177.6-171166.8000110.1T162 F172 L173 A178 L188 L253T162-I164 VanDerWaalsContact C-N 3.33Å; T162-I164 PolarHBondContact O-N 2.85Å; T162-I164 PolarHBondContact OG1-O 3.08Å; I164-F172 HydrophobicContact CD1-CB 3.96Å; I164-F172 HydrophobicContact CD1-CD1 4.24Å; I164-F172 HydrophobicContact CD1-CG 4.36Å; I164-F172 HydrophobicContact CG1-CB 3.98Å; I164-F172 HydrophobicContact CG1-CD1 4.15Å; I164-F172 HydrophobicContact CG1-CG 4.5Å; I164-L173 WeakPolarHBondContact CA-O 3.31Å; I164-A178 HydrophobicContact CB-CB 3.81Å; I164-A178 HydrophobicContact CD1-CB 4.38Å; I164-A178 HydrophobicContact CG2-CB 4.39Å; I164-L188 HydrophobicContact CD1-CD1 3.74Å; I164-L188 HydrophobicContact CG2-CD1 4.22Å; I164-L253 HydrophobicContact CD1-CD1 3.7Å; I164-L253 HydrophobicContact CD1-CD2 4.34Å; I164-L253 HydrophobicContact CG1-CD1 4.16Å
165N98.2Very high90.8Very high35 Ų3562 Ų6219%0.18733%0.331CS..EExtended strand (participates in β ladder)trans-139.5141.4175.3-59.488.5000109.6T162 V167 F172 L173 H289 R290T162-N165 VanDerWaalsContact OG1-CG 3.26Å; T162-N165 PolarHBondContact OG1-ND2 3.1Å; T162-N165 PolarHBondContact OG1-OD1 2.87Å; N165-V167 HydrophobicContact CB-CG1 4.19Å; N165-V167 PolarHBondContact O-N 3.33Å; N165-F172 CarbonylContact O-C 3.43Å; N165-F172 VanDerWaalsContact O-CA 3.26Å; N165-F172 WeakPolarHBondContact O-CA 3.44Å; N165-L173 PolarHBondContact N-O 2.9Å; N165-L173 PolarHBondContact O-N 3.33Å; N165-H289 WeakPolarHBondContact CB-O 3.4Å; N165-H289 VanDerWaalsContact CG-O 3.24Å; N165-H289 PolarHBondContact ND2-O 2.98Å; N165-H289 VanDerWaalsContact ND2-O 3.1Å; N165-R290 HydrophobicContact CB-CB 3.99Å; N165-R290 PolarHBondContact OD1-NH1 2.91Å
166E98.4Very high91.7Very high83 Ų8357.2 Ų57.239%0.38830%0.304SS..EExtended strand (participates in β ladder)trans-75.7116.9163.6-167169.7-175.700107.8W168 N170 F172 H289E166-W168 WeakPolarHBondContact CG-O 3.43Å; E166-N170 PolarHBondContact OE1-N 3.47Å; E166-F172 HydrophobicContact CB-CD1 3.85Å; E166-F172 HydrophobicContact CB-CE1 3.59Å; E166-F172 HydrophobicContact CB-CZ 4.09Å; E166-F172 HydrophobicContact CG-CD1 4.4Å; E166-F172 HydrophobicContact CG-CE1 4.03Å; E166-F172 HydrophobicContact CG-CE2 4.4Å; E166-F172 HydrophobicContact CG-CZ 4.01Å; E166-H289 WeakPolarHBondContact O-CB 3.33Å
167V98.4Very high93Very high1 Ų156.8 Ų56.81%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-108.9-12.1-174.3-61.10000112.5N165 L171 L173 V267 V286 H289 R290N165-V167 HydrophobicContact CB-CG1 4.19Å; N165-V167 PolarHBondContact O-N 3.33Å; V167-L171 PolarHBondContact N-O 3.1Å; V167-L173 HydrophobicContact CG1-CB 3.77Å; V167-L173 HydrophobicContact CG1-CD2 4.46Å; V167-L173 HydrophobicContact CG2-CB 3.95Å; V167-V267 HydrophobicContact CG2-CG1 3.95Å; V167-V286 HydrophobicContact CB-CG1 4.15Å; V167-V286 HydrophobicContact CB-CG2 4.49Å; V167-V286 HydrophobicContact CG1-CG1 4.09Å; V167-H289 HydrophobicContact CB-CB 4.37Å; V167-H289 HydrophobicContact CG1-CB 4.03Å; V167-R290 HydrophobicContact CG1-CB 3.96Å
168W98.7Very high94.1Very high67 Ų6750 Ų5025%0.25428%0.278SS..EExtended strand (participates in β ladder)trans-158.2154.2174.7-176.5-105.1000107.6E166 N170 L171 L271 E275 M277 T285E166-W168 WeakPolarHBondContact CG-O 3.43Å; W168-N170 PolarHBondContact O-N 3.4Å; W168-N170 VanDerWaalsContact O-N 3.1Å; W168-L171 HydrophobicContact CB-CB 4.06Å; W168-L171 HydrophobicContact CB-CD2 4.2Å; W168-L171 PolarHBondContact N-O 2.98Å; W168-L171 WeakPolarHBondContact O-CA 3.45Å; W168-L171 PolarHBondContact O-N 3.44Å; W168-L171 VanDerWaalsContact O-O 3.1Å; W168-L271 HydrophobicContact CB-CD2 4.23Å; W168-L271 HydrophobicContact CD2-CD2 3.68Å; W168-L271 HydrophobicContact CE3-CD2 4.05Å; W168-L271 HydrophobicContact CG-CD2 3.77Å; W168-E275 HydrophobicContact CH2-CG 4.5Å; W168-E275 HydrophobicContact CZ2-CB 4.27Å; W168-E275 VanDerWaalsContact CZ2-CD 3.48Å; W168-E275 HydrophobicContact CZ2-CG 3.7Å; W168-E275 PolarHBondContact NE1-OE1 3.31Å; W168-M277 HydrophobicContact CE3-CE 4.2Å; W168-M277 HydrophobicContact CH2-CE 3.56Å; W168-M277 HydrophobicContact CZ2-CE 4.45Å; W168-M277 HydrophobicContact CZ3-CE 3.41Å; W168-M277 VanDerWaalsContact CZ3-CE 3.41Å; W168-T285 HydrophobicContact CE3-CG2 3.76Å; W168-T285 HydrophobicContact CZ3-CG2 4.06Å
169P98.4Very high95.2Very high79 Ų7946.3 Ų46.351%0.51326%0.256SS..THydrogen-bonded Turntrans-49.8120.3-175.6-31.438.1000113.4L171P169-L171 PolarHBondContact O-N 2.93Å
170N98.6Very high96.5Very high55 Ų5547 Ų4729%0.29424%0.235SC..THydrogen-bonded Turntrans61.411.3-176.4-55.9-60.6000115.9E166 W168 L245 S250 R251 V252E166-N170 PolarHBondContact OE1-N 3.47Å; W168-N170 PolarHBondContact O-N 3.4Å; W168-N170 VanDerWaalsContact O-N 3.1Å; N170-L245 HydrophobicContact CB-CD2 3.78Å; N170-S250 WeakPolarHBondContact CB-O 3.03Å; N170-R251 HydrophobicContact CB-CG 4.08Å; N170-R251 WeakPolarHBondContact O-CA 3.01Å; N170-V252 PolarHBondContact O-N 3.06Å
171L98.9Very high97.4Very high0 Ų044.6 Ų44.60%022%0.218CC..EExtended strand (participates in β ladder)trans-116.1116.1178.1179.663.3000110.5V167 W168 P169 I241 L245 V252 V254 V267 F270V167-L171 PolarHBondContact N-O 3.1Å; W168-L171 HydrophobicContact CB-CB 4.06Å; W168-L171 HydrophobicContact CB-CD2 4.2Å; W168-L171 PolarHBondContact N-O 2.98Å; W168-L171 WeakPolarHBondContact O-CA 3.45Å; W168-L171 PolarHBondContact O-N 3.44Å; W168-L171 VanDerWaalsContact O-O 3.1Å; P169-L171 PolarHBondContact O-N 2.93Å; L171-I241 HydrophobicContact CD1-CG2 3.89Å; L171-I241 HydrophobicContact CD2-CG2 4.21Å; L171-L245 HydrophobicContact CB-CD1 4.42Å; L171-V252 HydrophobicContact CD1-CB 3.88Å; L171-V252 HydrophobicContact CD1-CG1 4Å; L171-V254 HydrophobicContact CD1-CG2 3.84Å; L171-V267 HydrophobicContact CD2-CG1 4.04Å; L171-F270 HydrophobicContact CD2-CD1 3.59Å; L171-F270 HydrophobicContact CD2-CE1 3.63Å
172F98.9Very high98.1Very high8 Ų844.7 Ų44.74%0.03522%0.215CC..EExtended strand (participates in β ladder)trans-107.2140.4-175.1-62.3-98.8000110.8I164 N165 E166 L188 I190 R251 V252 L253 V254I164-F172 HydrophobicContact CD1-CB 3.96Å; I164-F172 HydrophobicContact CD1-CD1 4.24Å; I164-F172 HydrophobicContact CD1-CG 4.36Å; I164-F172 HydrophobicContact CG1-CB 3.98Å; I164-F172 HydrophobicContact CG1-CD1 4.15Å; I164-F172 HydrophobicContact CG1-CG 4.5Å; N165-F172 CarbonylContact O-C 3.43Å; N165-F172 VanDerWaalsContact O-CA 3.26Å; N165-F172 WeakPolarHBondContact O-CA 3.44Å; E166-F172 HydrophobicContact CB-CD1 3.85Å; E166-F172 HydrophobicContact CB-CE1 3.59Å; E166-F172 HydrophobicContact CB-CZ 4.09Å; E166-F172 HydrophobicContact CG-CD1 4.4Å; E166-F172 HydrophobicContact CG-CE1 4.03Å; E166-F172 HydrophobicContact CG-CE2 4.4Å; E166-F172 HydrophobicContact CG-CZ 4.01Å; F172-L188 HydrophobicContact CE1-CD1 4.47Å; F172-L188 HydrophobicContact CE1-CD2 4.28Å; F172-I190 HydrophobicContact CD2-CD1 3.59Å; F172-I190 HydrophobicContact CE2-CD1 3.98Å; F172-I190 HydrophobicContact CG-CD1 4.06Å; F172-R251 HydrophobicContact CE2-CB 4.07Å; F172-R251 HydrophobicContact CE2-CG 4.33Å; F172-V252 PolarHBondContact N-O 2.98Å; F172-L253 HydrophobicContact CB-CD1 4.11Å; F172-V254 PolarHBondContact O-N 2.85Å
173L98.9Very high98.4Very high0 Ų043.1 Ų43.10%021%0.212CC..EExtended strand (participates in β ladder)trans-114.8125.6172.8-174.158.2000108.9I164 N165 V167 V254 S263 A264 V267 V286 I292I164-L173 WeakPolarHBondContact CA-O 3.31Å; N165-L173 PolarHBondContact N-O 2.9Å; N165-L173 PolarHBondContact O-N 3.33Å; V167-L173 HydrophobicContact CG1-CB 3.77Å; V167-L173 HydrophobicContact CG1-CD2 4.46Å; V167-L173 HydrophobicContact CG2-CB 3.95Å; L173-V254 WeakPolarHBondContact CA-O 3.41Å; L173-V254 WeakPolarHBondContact CD1-O 3.4Å; L173-S263 VanDerWaalsContact CD1-OG 3.32Å; L173-S263 WeakPolarHBondContact CD1-OG 3.42Å; L173-A264 HydrophobicContact CD2-CB 3.98Å; L173-V267 HydrophobicContact CD1-CG2 4.09Å; L173-V286 HydrophobicContact CD2-CG1 3.86Å; L173-I292 HydrophobicContact CD2-CG2 3.6Å
174G98.6Very high98.3Very high0 Ų043.9 Ų43.90%021%0.212CC..EExtended strand (participates in β ladder)trans-147.3175.4-174.600000115.3H163 V254 H255 C256 G259H163-G174 CarbonylContact O-C 3.55Å; H163-G174 WeakPolarHBondContact O-CA 3.5Å; G174-V254 PolarHBondContact N-O 3.41Å; G174-V254 VanDerWaalsContact N-O 3.1Å; G174-H255 WeakPolarHBondContact O-CA 3.41Å; G174-H255 VanDerWaalsContact O-CB 3.26Å; G174-H255 WeakPolarHBondContact O-CB 3.47Å; G174-C256 PolarHBondContact O-N 3.45Å; G174-G259 WeakPolarHBondContact O-CA 3.44Å; G174-G259 PolarHBondContact O-N 3.42Å
175D98.7Very high98.3Very high13 Ų1342.9 Ų42.97%0.0721%0.207CC..  trans-101.2-177.4178.267.620.3000112.6H163 Y177 A178 A179 C256 A257 M258H163-D175 WeakPolarHBondContact CA-OD2 2.86Å; H163-D175 IonicContact CE1-OD2 3.81Å; H163-D175 IonicContact CG-OD1 3.94Å; H163-D175 IonicContact CG-OD2 3.57Å; H163-D175 IonicContact ND1-OD1 3.63Å; H163-D175 IonicContact ND1-OD2 2.74Å; H163-D175 PolarHBondContact ND1-OD2 3.5Å; H163-D175 PolarHBondContact O-N 2.91Å; D175-Y177 PolarHBondContact O-N 2.84Å; D175-Y177 WeakPolarHBondContact OD1-CA 3.12Å; D175-Y177 VanDerWaalsContact OD1-CB 3.28Å; D175-Y177 WeakPolarHBondContact OD1-CB 3.34Å; D175-Y177 PolarHBondContact OD1-N 3.33Å; D175-A178 PolarHBondContact O-N 2.76Å; D175-A178 PolarHBondContact OD1-N 3.41Å; D175-A179 PolarHBondContact O-N 2.73Å; D175-A179 VanDerWaalsContact O-N 3.13Å; D175-C256 CarbonylContact C-O 3.46Å; D175-A257 WeakPolarHBondContact CB-O 3.32Å; D175-M258 VanDerWaalsContact CB-C 3.47Å
176A98.6Very high98.3Very high20 Ų2046.4 Ų46.417%0.16522%0.224CC..Hα-helixtrans-67.2-25.1179.500000113.1R180 V203 C256 A257A176-R180 VanDerWaalsContact O-CG 3.28Å; A176-R180 WeakPolarHBondContact O-CG 3.45Å; A176-R180 PolarHBondContact O-N 2.97Å; A176-V203 HydrophobicContact CB-CG1 4Å; A176-V203 HydrophobicContact CB-CG2 3.73Å; A176-C256 PolarHBondContact N-O 3.42Å; A176-C256 VanDerWaalsContact N-O 3.14Å; A176-A257 PolarHBondContact N-O 2.97Å
177Y98.4Very high98.3Very high141 Ų14149.2 Ų49.255%0.55324%0.237SC*.Hα-helixtrans-68.7-50.8176.4-178.9-84.5000109.7H163 D175 A179 R180 D181H163-Y177 HydrophobicContact CB-CD1 4.02Å; H163-Y177 AromaticContact CD2-CD1 3.42Å; H163-Y177 VanDerWaalsContact CD2-CD1 3.42Å; H163-Y177 WeakPolarHBondContact CD2-CD1 3.42Å; H163-Y177 AromaticContact CD2-CE1 3.72Å; H163-Y177 AromaticContact CE1-CD1 4Å; H163-Y177 AromaticContact CE1-CG 3.95Å; H163-Y177 AromaticContact CG-CD1 3.5Å; H163-Y177 VanDerWaalsContact CG-CD1 3.5Å; H163-Y177 AromaticContact ND1-CD1 3.86Å; H163-Y177 AromaticContact ND1-CG 3.93Å; H163-Y177 AromaticContact NE2-CD1 3.78Å; D175-Y177 PolarHBondContact O-N 2.84Å; D175-Y177 WeakPolarHBondContact OD1-CA 3.12Å; D175-Y177 VanDerWaalsContact OD1-CB 3.28Å; D175-Y177 WeakPolarHBondContact OD1-CB 3.34Å; D175-Y177 PolarHBondContact OD1-N 3.33Å; Y177-A179 VanDerWaalsContact C-N 3.27Å; Y177-A179 PolarHBondContact O-N 2.78Å; Y177-R180 PolarHBondContact O-N 3.11Å; Y177-D181 PolarHBondContact O-N 2.85Å; Y177-D181 VanDerWaalsContact O-N 3.09Å
178A98.2Very high98.2Very high2 Ų250.3 Ų50.32%0.01724%0.243CC..Hα-helixtrans-57.6-40.2175.400000112.5H163 I164 D175 R180 D181H163-A178 HydrophobicContact CB-CB 4.08Å; H163-A178 WeakPolarHBondContact O-CB 3.33Å; I164-A178 HydrophobicContact CB-CB 3.81Å; I164-A178 HydrophobicContact CD1-CB 4.38Å; I164-A178 HydrophobicContact CG2-CB 4.39Å; D175-A178 PolarHBondContact O-N 2.76Å; D175-A178 PolarHBondContact OD1-N 3.41Å; A178-R180 VanDerWaalsContact C-N 3.27Å; A178-R180 PolarHBondContact O-N 3.08Å; A178-D181 PolarHBondContact O-N 3.06Å
179A98.4Very high98.2Very high0 Ų048.7 Ų48.70%025%0.247CC..Hα-helixtrans-66.3-26.8178.600000113.7D175 Y177 Y210 H255D175-A179 PolarHBondContact O-N 2.73Å; D175-A179 VanDerWaalsContact O-N 3.13Å; Y177-A179 VanDerWaalsContact C-N 3.27Å; Y177-A179 PolarHBondContact O-N 2.78Å; A179-Y210 WeakPolarHBondContact O-CE1 3.28Å; A179-Y210 PolarHBondContact O-OH 3.19Å; A179-H255 HydrophobicContact CB-CB 4.37Å; A179-H255 VanDerWaalsContact CB-CE1 3.42Å; A179-H255 WeakPolarHBondContact CB-CE1 3.39Å; A179-H255 WeakPolarHBondContact CB-ND1 3.48Å; A179-H255 WeakPolarHBondContact CB-NE2 3.48Å
180R98.4Very high98.2Very high124 Ų12445.4 Ų45.447%0.46823%0.225SC..Hα-helixtrans-89.3-19.2178.9-71.6173.2-176.8-96.2-0.3112.9A176 Y177 A178 K182 T205 F209A176-R180 VanDerWaalsContact O-CG 3.28Å; A176-R180 WeakPolarHBondContact O-CG 3.45Å; A176-R180 PolarHBondContact O-N 2.97Å; Y177-R180 PolarHBondContact O-N 3.11Å; A178-R180 VanDerWaalsContact C-N 3.27Å; A178-R180 PolarHBondContact O-N 3.08Å; R180-K182 PolarHBondContact O-N 2.88Å; R180-T205 HydrophobicContact CG-CG2 4.29Å; R180-F209 HydrophobicContact CB-CZ 4.03Å; R180-F209 HydrophobicContact CG-CZ 4.14Å; R180-F209 WeakPolarHBondContact O-CZ 3.42Å
181D98Very high98.2Very high59 Ų5944.6 Ų44.632%0.31622%0.222SC..  trans-81.481.7178.1-171.6-13.9000111.7Y177 A178 G183 R184 L185Y177-D181 PolarHBondContact O-N 2.85Å; Y177-D181 VanDerWaalsContact O-N 3.09Å; A178-D181 PolarHBondContact O-N 3.06Å; D181-G183 PolarHBondContact O-N 2.94Å; D181-G183 PolarHBondContact OD1-N 3.06Å; D181-R184 HydrophobicContact CB-CB 3.95Å; D181-R184 PolarHBondContact O-N 3.47Å; D181-R184 VanDerWaalsContact O-N 3.15Å; D181-R184 PolarHBondContact OD1-N 3.38Å; D181-R184 WeakPolarHBondContact OD2-CB 3.24Å; D181-L185 WeakPolarHBondContact O-CG 3.23Å; D181-L185 PolarHBondContact O-N 3.13Å
182K97.7Very high98.2Very high72 Ų7245.6 Ų45.631%0.31323%0.227SC..Hα-helixtrans-55.8-36.1177-66.1-175.2-179.4-174.60112.9R180 R184 L185 I186 F209 T213R180-K182 PolarHBondContact O-N 2.88Å; K182-R184 VanDerWaalsContact C-N 3.34Å; K182-L185 PolarHBondContact O-N 2.87Å; K182-I186 WeakPolarHBondContact O-CD1 3.43Å; K182-I186 VanDerWaalsContact O-CG1 3.24Å; K182-I186 WeakPolarHBondContact O-CG1 3.43Å; K182-I186 PolarHBondContact O-N 3.25Å; K182-F209 WeakPolarHBondContact CE-O 3.36Å; K182-F209 HydrophobicContact CG-CE1 4.11Å; K182-F209 PolarHBondContact NZ-O 2.97Å; K182-T213 HydrophobicContact CD-CG2 4.38Å
183G97.4Very high98.2Very high34 Ų3445.2 Ų45.235%0.35123%0.225SC..Hα-helixtrans-61.6-46.217900000110.6D181 I186 Q187D181-G183 PolarHBondContact O-N 2.94Å; D181-G183 PolarHBondContact OD1-N 3.06Å; G183-I186 PolarHBondContact O-N 3.02Å; G183-Q187 VanDerWaalsContact O-CG 3.26Å; G183-Q187 WeakPolarHBondContact O-CG 3.35Å; G183-Q187 PolarHBondContact O-N 3.29Å
184R97.3Very high98.2Very high105 Ų10545.2 Ų45.240%0.39623%0.225SC..Hα-helixtrans-65.5-40.3175.3-173.458.7175.6173.51.4112.9D181 K182 I186 Q187 L188D181-R184 HydrophobicContact CB-CB 3.95Å; D181-R184 PolarHBondContact O-N 3.47Å; D181-R184 VanDerWaalsContact O-N 3.15Å; D181-R184 PolarHBondContact OD1-N 3.38Å; D181-R184 WeakPolarHBondContact OD2-CB 3.24Å; K182-R184 VanDerWaalsContact C-N 3.34Å; R184-I186 VanDerWaalsContact C-N 3.33Å; R184-I186 PolarHBondContact O-N 3.13Å; R184-Q187 PolarHBondContact O-N 3.05Å; R184-L188 HydrophobicContact CG-CD1 4.04Å; R184-L188 HydrophobicContact CG-CG 4.47Å; R184-L188 WeakPolarHBondContact O-CB 2.99Å; R184-L188 WeakPolarHBondContact O-CG 3.3Å; R184-L188 PolarHBondContact O-N 3.07Å
185L98.2Very high98.2Very high3 Ų345.2 Ų45.22%0.01623%0.225CC..Hα-helixtrans-60.3-42.9176.1-64179.3000111.8D181 K182 L188 G189 I190 Y210 L215 L253D181-L185 WeakPolarHBondContact O-CG 3.23Å; D181-L185 PolarHBondContact O-N 3.13Å; K182-L185 PolarHBondContact O-N 2.87Å; L185-L188 PolarHBondContact O-N 3.36Å; L185-G189 PolarHBondContact O-N 3.21Å; L185-G189 VanDerWaalsContact O-N 3.1Å; L185-I190 HydrophobicContact CB-CB 4.26Å; L185-I190 HydrophobicContact CB-CG1 4.43Å; L185-I190 HydrophobicContact CD2-CB 4.21Å; L185-I190 HydrophobicContact CD2-CG1 3.87Å; L185-I190 HydrophobicContact CD2-CG2 4.37Å; L185-I190 PolarHBondContact O-N 2.58Å; L185-Y210 HydrophobicContact CD1-CD1 4.23Å; L185-Y210 HydrophobicContact CD1-CE1 3.57Å; L185-L215 HydrophobicContact CD1-CD2 4.5Å; L185-L253 HydrophobicContact CD2-CD2 3.47Å; L185-L253 VanDerWaalsContact CD2-CD2 3.47Å
186I97.4Very high98.2Very high108 Ų10844.6 Ų44.655%0.55422%0.222SC*.Hα-helixtrans-64.7-47.2176.1-67.1162.6000110.7K182 G183 R184 L188 G189 T213K182-I186 WeakPolarHBondContact O-CD1 3.43Å; K182-I186 VanDerWaalsContact O-CG1 3.24Å; K182-I186 WeakPolarHBondContact O-CG1 3.43Å; K182-I186 PolarHBondContact O-N 3.25Å; G183-I186 PolarHBondContact O-N 3.02Å; R184-I186 VanDerWaalsContact C-N 3.33Å; R184-I186 PolarHBondContact O-N 3.13Å; I186-L188 VanDerWaalsContact C-N 3.27Å; I186-L188 PolarHBondContact O-N 3.03Å; I186-G189 PolarHBondContact O-N 2.87Å; I186-T213 HydrophobicContact CD1-CG2 4.01Å; I186-T213 HydrophobicContact CG1-CG2 4.16Å
187Q97.5Very high98.2Very high142 Ų14243.6 Ų43.666%0.66421%0.214SC*.Hα-helixtrans-58.4-38.9178.1-73.7169.612.600112.6G183 R184 G189G183-Q187 VanDerWaalsContact O-CG 3.26Å; G183-Q187 WeakPolarHBondContact O-CG 3.35Å; G183-Q187 PolarHBondContact O-N 3.29Å; R184-Q187 PolarHBondContact O-N 3.05Å; Q187-G189 VanDerWaalsContact C-N 3.25Å; Q187-G189 PolarHBondContact O-N 3.13Å
188L97.8Very high98.2Very high24 Ų2437.3 Ų37.313%0.12619%0.191CC..Hα-helixtrans-78.2-10.6177.2-71175.2000112.9I164 F172 R184 L185 I186 I190 R251I164-L188 HydrophobicContact CD1-CD1 3.74Å; I164-L188 HydrophobicContact CG2-CD1 4.22Å; F172-L188 HydrophobicContact CE1-CD1 4.47Å; F172-L188 HydrophobicContact CE1-CD2 4.28Å; R184-L188 HydrophobicContact CG-CD1 4.04Å; R184-L188 HydrophobicContact CG-CG 4.47Å; R184-L188 WeakPolarHBondContact O-CB 2.99Å; R184-L188 WeakPolarHBondContact O-CG 3.3Å; R184-L188 PolarHBondContact O-N 3.07Å; L185-L188 PolarHBondContact O-N 3.36Å; I186-L188 VanDerWaalsContact C-N 3.27Å; I186-L188 PolarHBondContact O-N 3.03Å; L188-I190 HydrophobicContact CB-CD1 4.27Å; L188-I190 HydrophobicContact CB-CG1 4.02Å; L188-R251 WeakPolarHBondContact O-CD 3.28Å; L188-R251 PolarHBondContact O-NH1 2.82Å
189G98Very high98.1Very high33 Ų3337.9 Ų37.934%0.3420%0.197SC..THydrogen-bonded Turntrans68.633.5-176.200000113.1L185 I186 Q187 T191 R251L185-G189 PolarHBondContact O-N 3.21Å; L185-G189 VanDerWaalsContact O-N 3.1Å; I186-G189 PolarHBondContact O-N 2.87Å; Q187-G189 VanDerWaalsContact C-N 3.25Å; Q187-G189 PolarHBondContact O-N 3.13Å; G189-T191 PolarHBondContact O-N 3.3Å; G189-R251 WeakPolarHBondContact O-CB 3.21Å
190I98.6Very high97.9Very high10 Ų1045.4 Ų45.45%0.05123%0.229CC..  trans-65.4124.5178.1-60.6-59000109.7F172 L185 L188 H192 V193 R251 L253F172-I190 HydrophobicContact CD2-CD1 3.59Å; F172-I190 HydrophobicContact CE2-CD1 3.98Å; F172-I190 HydrophobicContact CG-CD1 4.06Å; L185-I190 HydrophobicContact CB-CB 4.26Å; L185-I190 HydrophobicContact CB-CG1 4.43Å; L185-I190 HydrophobicContact CD2-CB 4.21Å; L185-I190 HydrophobicContact CD2-CG1 3.87Å; L185-I190 HydrophobicContact CD2-CG2 4.37Å; L185-I190 PolarHBondContact O-N 2.58Å; L188-I190 HydrophobicContact CB-CD1 4.27Å; L188-I190 HydrophobicContact CB-CG1 4.02Å; I190-H192 WeakPolarHBondContact CG2-O 3.37Å; I190-V193 HydrophobicContact CG2-CG2 3.92Å; I190-R251 HydrophobicContact CD1-CB 4.03Å; I190-L253 HydrophobicContact CD1-CB 4.25Å; I190-L253 HydrophobicContact CG1-CB 4.47Å; I190-L253 HydrophobicContact CG2-CB 3.91Å
191T98.7Very high97.7Very high38 Ų3848.3 Ų48.323%0.23325%0.246CC..  trans-108.8-20.8-178.7560000113G189 L215 E216 S250 R251G189-T191 PolarHBondContact O-N 3.3Å; T191-L215 CarbonylContact O-C 3.46Å; T191-L215 WeakPolarHBondContact O-CA 3.49Å; T191-L215 WeakPolarHBondContact O-CB 3.39Å; T191-E216 PolarHBondContact O-N 3.26Å; T191-S250 WeakPolarHBondContact OG1-CA 3.22Å; T191-S250 WeakPolarHBondContact OG1-CB 3.48Å; T191-R251 PolarHBondContact N-O 2.99Å; T191-R251 PolarHBondContact OG1-N 3.15Å; T191-R251 PolarHBondContact OG1-O 3.24Å
192H98.9Very high97.6Very high21 Ų2149.5 Ų49.510%0.09725%0.25CC..EExtended strand (participates in β ladder)trans-137.7135.2-179.4-60.774.6000109.1I190 E216 Y240 A244 R251 V252 L253I190-H192 WeakPolarHBondContact CG2-O 3.37Å; H192-E216 CarbonylContact C-O 3.54Å; H192-E216 WeakPolarHBondContact CA-O 3.39Å; H192-Y240 HydrophobicContact CB-CE1 4.23Å; H192-Y240 AromaticContact CD2-CZ 3.75Å; H192-Y240 PolarHBondContact CD2-OH 3.38Å; H192-A244 HydrophobicContact CB-CB 4.43Å; H192-R251 PolarHBondContact N-O 3.36Å; H192-R251 VanDerWaalsContact N-O 3.08Å; H192-V252 HydrophobicContact CB-CB 4.47Å; H192-V252 HydrophobicContact CB-CG1 4.25Å; H192-V252 HydrophobicContact CB-CG2 4.13Å; H192-V252 CarbonylContact O-C 3.53Å; H192-V252 WeakPolarHBondContact O-CA 3.44Å; H192-L253 PolarHBondContact O-N 3.09Å
193V98.9Very high97.6Very high0 Ų046.4 Ų46.40%024%0.237CC..EExtended strand (participates in β ladder)trans-120.5123.7175.5175.90000109.4I190 Y210 L215 E216 Y217 Y218 L253I190-V193 HydrophobicContact CG2-CG2 3.92Å; V193-Y210 HydrophobicContact CG1-CE2 4.17Å; V193-L215 HydrophobicContact CB-CD1 4.24Å; V193-L215 HydrophobicContact CG2-CD1 3.82Å; V193-L215 HydrophobicContact CG2-CD2 4.1Å; V193-E216 PolarHBondContact N-O 2.67Å; V193-Y217 HydrophobicContact CB-CD2 4.41Å; V193-Y217 HydrophobicContact CG1-CD2 4.24Å; V193-Y217 WeakPolarHBondContact O-CA 3.46Å; V193-Y218 PolarHBondContact O-N 3.4Å; V193-L253 CarbonylContact C-O 3.54Å; V193-L253 WeakPolarHBondContact CA-O 3.22Å
194V98.9Very high97.6Very high0 Ų049 Ų490%024%0.243CC..EExtended strand (participates in β ladder)trans-107.7108.2170.6-175.90000108.4V196 Y218 I220 V237 Y240 V252 L253 V254 H255V194-V196 HydrophobicContact CG1-CG2 4.08Å; V194-Y218 CarbonylContact C-O 3.49Å; V194-Y218 WeakPolarHBondContact CA-O 3.47Å; V194-I220 HydrophobicContact CG1-CD1 4.36Å; V194-V237 HydrophobicContact CG1-CG1 3.81Å; V194-Y240 HydrophobicContact CG2-CD1 3.77Å; V194-Y240 HydrophobicContact CG2-CE1 3.61Å; V194-V252 HydrophobicContact CG2-CG1 4.29Å; V194-L253 PolarHBondContact N-O 3.17Å; V194-V254 HydrophobicContact CB-CB 4.4Å; V194-V254 HydrophobicContact CB-CG1 4.15Å; V194-V254 HydrophobicContact CB-CG2 4.16Å; V194-V254 HydrophobicContact CG1-CG1 4.21Å; V194-V254 HydrophobicContact CG2-CG2 4.35Å; V194-V254 WeakPolarHBondContact O-CA 3.4Å; V194-H255 PolarHBondContact O-N 3.48Å
195N98.9Very high97.5Very high0 Ų044.5 Ų44.50%023%0.227CC..EExtended strand (participates in β ladder)trans-95.3103.8177.2-177.2-7.5000110A197 A198 V203 T205 Y217 Y218 I220 H255N195-A197 PolarHBondContact O-N 3.34Å; N195-A197 WeakPolarHBondContact OD1-CA 3.36Å; N195-A197 PolarHBondContact OD1-N 2.95Å; N195-A198 PolarHBondContact OD1-N 2.85Å; N195-A198 VanDerWaalsContact OD1-N 3.13Å; N195-V203 PolarHBondContact ND2-O 2.9Å; N195-T205 PolarHBondContact ND2-OG1 3.39Å; N195-Y217 HydrophobicContact CB-CE2 3.68Å; N195-Y217 WeakPolarHBondContact CB-OH 3.48Å; N195-Y217 PolarHBondContact ND2-OH 3.42Å; N195-Y218 PolarHBondContact N-O 3Å; N195-I220 PolarHBondContact O-N 3.36Å; N195-H255 WeakPolarHBondContact CA-NE2 3.39Å; N195-H255 WeakPolarHBondContact CB-NE2 2.93Å; N195-H255 VanDerWaalsContact CG-NE2 3.31Å; N195-H255 PolarHBondContact OD1-CE1 3Å; N195-H255 VanDerWaalsContact OD1-CE1 3.25Å
196V98.8Very high97.3Very high0 Ų045.3 Ų45.30%024%0.236CC..THydrogen-bonded Turntrans-89.518.6178.3-155.70000111.9V194 I220 A222 L230 V254 H255 C256 R262 I266V194-V196 HydrophobicContact CG1-CG2 4.08Å; V196-I220 CarbonylContact C-O 3.55Å; V196-I220 HydrophobicContact CG1-CD1 4.29Å; V196-I220 HydrophobicContact CG2-CD1 4.44Å; V196-A222 HydrophobicContact CG1-CB 4.26Å; V196-L230 HydrophobicContact CG1-CD1 3.99Å; V196-V254 HydrophobicContact CG2-CG1 3.76Å; V196-H255 PolarHBondContact N-O 2.9Å; V196-C256 HydrophobicContact CB-CB 4.47Å; V196-R262 HydrophobicContact CB-CB 4.21Å; V196-R262 HydrophobicContact CG1-CB 3.9Å; V196-R262 WeakPolarHBondContact O-CD 3.46Å; V196-I266 HydrophobicContact CG1-CG1 3.88Å; V196-I266 HydrophobicContact CG2-CB 4.47Å; V196-I266 HydrophobicContact CG2-CG1 3.99Å
197A98.4Very high97.3Very high0 Ų043.3 Ų43.30%024%0.236CC..THydrogen-bonded Turntrans-141.937175.400000109.8N195 Q202 V203 I220 C256 R262N195-A197 PolarHBondContact O-N 3.34Å; N195-A197 WeakPolarHBondContact OD1-CA 3.36Å; N195-A197 PolarHBondContact OD1-N 2.95Å; A197-Q202 WeakPolarHBondContact O-CB 3.47Å; A197-V203 HydrophobicContact CB-CB 4.31Å; A197-V203 HydrophobicContact CB-CG2 3.86Å; A197-V203 WeakPolarHBondContact O-CA 3.41Å; A197-V203 WeakPolarHBondContact O-CB 3.41Å; A197-V203 PolarHBondContact O-N 3.37Å; A197-I220 PolarHBondContact N-O 3.32Å; A197-C256 HydrophobicContact CB-CB 4.02Å; A197-R262 VanDerWaalsContact CB-NH1 3.29Å
198A98.1Very high97.3Very high9 Ų945.7 Ų45.77%0.07424%0.244CC..  trans-67.8166.317900000110.8N195 I220 E221N195-A198 PolarHBondContact OD1-N 2.85Å; N195-A198 VanDerWaalsContact OD1-N 3.13Å; A198-I220 WeakPolarHBondContact CB-O 3.14Å; A198-I220 PolarHBondContact N-O 3.1Å; A198-E221 HydrophobicContact CB-CG 4.23Å
199G95.6Very high97.3Very high13 Ų1347.3 Ų47.313%0.13425%0.25CC..SBendtrans116.4150.5177.800000112.4F201 Q202G199-F201 PolarHBondContact O-N 2.95Å; G199-F201 VanDerWaalsContact O-N 3.11Å; G199-Q202 PolarHBondContact O-N 3.5Å
200K93.9Very high97.3Very high158 Ų15846 Ų4669%0.68723%0.234SC*.THydrogen-bonded Turntrans-55.6-31.6-173.5-175.2177.9179.3179.90114.3
201F94.6Very high97.1Very high185 Ų18555.5 Ų55.581%0.81127%0.27SS*.THydrogen-bonded Turntrans-100.78.5-177.9-55-68.8000113.2G199G199-F201 PolarHBondContact O-N 2.95Å; G199-F201 VanDerWaalsContact O-N 3.11Å
202Q96.9Very high96.9Very high84 Ų8457.6 Ų57.639%0.39330%0.299SS..SBendtrans-124-133.5-178.5-61.6-7510.600109A197 G199 D204 D223A197-Q202 WeakPolarHBondContact O-CB 3.47Å; G199-Q202 PolarHBondContact O-N 3.5Å; Q202-D204 VanDerWaalsContact C-N 3.32Å; Q202-D204 PolarHBondContact O-N 2.95Å; Q202-D204 VanDerWaalsContact O-N 3.08Å; Q202-D223 PolarHBondContact NE2-OD1 3.2Å
203V96.5Very high96.6Very high7 Ų757.5 Ų57.54%0.04230%0.3CS..  trans-85.180.5174.8-170.90000108.7A176 N195 A197 T205A176-V203 HydrophobicContact CB-CG1 4Å; A176-V203 HydrophobicContact CB-CG2 3.73Å; N195-V203 PolarHBondContact ND2-O 2.9Å; A197-V203 HydrophobicContact CB-CB 4.31Å; A197-V203 HydrophobicContact CB-CG2 3.86Å; A197-V203 WeakPolarHBondContact O-CA 3.41Å; A197-V203 WeakPolarHBondContact O-CB 3.41Å; A197-V203 PolarHBondContact O-N 3.37Å; V203-T205 VanDerWaalsContact C-N 3.3Å; V203-T205 HydrophobicContact CG1-CG2 4.13Å; V203-T205 PolarHBondContact O-N 3.24Å
204D97.1Very high96.2Very high90 Ų9063.6 Ų63.648%0.48134%0.339SS..  trans-76.576.6-179.4-16823.4000111.7Q202Q202-D204 VanDerWaalsContact C-N 3.32Å; Q202-D204 PolarHBondContact O-N 2.95Å; Q202-D204 VanDerWaalsContact O-N 3.08Å
205T95.6Very high96.1Very high9 Ų964.7 Ų64.76%0.05535%0.345CS..  trans-96.7-64.4168.951.70000109.8R180 N195 V203 F209R180-T205 HydrophobicContact CG-CG2 4.29Å; N195-T205 PolarHBondContact ND2-OG1 3.39Å; V203-T205 VanDerWaalsContact C-N 3.3Å; V203-T205 HydrophobicContact CG1-CG2 4.13Å; V203-T205 PolarHBondContact O-N 3.24Å; T205-F209 VanDerWaalsContact C-CB 3.5Å; T205-F209 HydrophobicContact CG2-CB 4.37Å; T205-F209 HydrophobicContact CG2-CD1 3.88Å; T205-F209 HydrophobicContact CG2-CD2 4.37Å; T205-F209 HydrophobicContact CG2-CE1 4.26Å; T205-F209 HydrophobicContact CG2-CG 3.95Å; T205-F209 WeakPolarHBondContact O-CB 3.37Å; T205-F209 PolarHBondContact O-N 3.41Å
206G95Very high96.1Very high20 Ų2070.6 Ų70.621%0.20637%0.373CS..Hα-helixtrans64175.8-173.300000112.7K208 F209 Y210 Y217G206-K208 PolarHBondContact O-N 3.02Å; G206-F209 PolarHBondContact O-N 3.23Å; G206-Y210 VanDerWaalsContact O-CD2 3.31Å; G206-Y210 WeakPolarHBondContact O-CD2 3.28Å; G206-Y217 VanDerWaalsContact CA-CZ 3.46Å
207A96.4Very high96.1Very high67 Ų6773 Ų7355%0.55438%0.382SS*.Hα-helixtrans-60.7-32.317600000112.5F209 Y210 R211 Y217A207-F209 VanDerWaalsContact C-N 3.33Å; A207-F209 PolarHBondContact O-N 2.79Å; A207-Y210 PolarHBondContact O-N 3.41Å; A207-Y210 VanDerWaalsContact O-N 3.15Å; A207-R211 PolarHBondContact O-N 3.28Å; A207-Y217 HydrophobicContact CB-CD1 4.22Å; A207-Y217 HydrophobicContact CB-CG 4.41Å
208K96.9Very high96.1Very high191 Ų19176.3 Ų76.383%0.8340%0.395SS*.Hα-helixtrans-62.3-37.8-179.7-67.8-177.7-178.4177.80112.4G206 Y210 R211G206-K208 PolarHBondContact O-N 3.02Å; K208-Y210 PolarHBondContact O-N 3.36Å; K208-R211 WeakPolarHBondContact O-CB 3.36Å; K208-R211 PolarHBondContact O-N 2.88Å
209F98.1Very high96.1Very high58 Ų5877.5 Ų77.525%0.25441%0.409SS..Hα-helixtrans-59.6-38.5176.8179.3-92.9000111.1R180 K182 T205 G206 A207 R211R180-F209 HydrophobicContact CB-CZ 4.03Å; R180-F209 HydrophobicContact CG-CZ 4.14Å; R180-F209 WeakPolarHBondContact O-CZ 3.42Å; K182-F209 WeakPolarHBondContact CE-O 3.36Å; K182-F209 HydrophobicContact CG-CE1 4.11Å; K182-F209 PolarHBondContact NZ-O 2.97Å; T205-F209 VanDerWaalsContact C-CB 3.5Å; T205-F209 HydrophobicContact CG2-CB 4.37Å; T205-F209 HydrophobicContact CG2-CD1 3.88Å; T205-F209 HydrophobicContact CG2-CD2 4.37Å; T205-F209 HydrophobicContact CG2-CE1 4.26Å; T205-F209 HydrophobicContact CG2-CG 3.95Å; T205-F209 WeakPolarHBondContact O-CB 3.37Å; T205-F209 PolarHBondContact O-N 3.41Å; G206-F209 PolarHBondContact O-N 3.23Å; A207-F209 VanDerWaalsContact C-N 3.33Å; A207-F209 PolarHBondContact O-N 2.79Å; F209-R211 VanDerWaalsContact C-N 3.29Å; F209-R211 PolarHBondContact O-N 2.83Å
210Y97.8Very high96.3Very high5 Ų577.1 Ų77.12%0.0240%0.403CS..THydrogen-bonded Turntrans-87.114.3-179.5-57.8-71.6000114.3A179 L185 V193 G206 A207 K208 G212 T213 L215 Y217A179-Y210 WeakPolarHBondContact O-CE1 3.28Å; A179-Y210 PolarHBondContact O-OH 3.19Å; L185-Y210 HydrophobicContact CD1-CD1 4.23Å; L185-Y210 HydrophobicContact CD1-CE1 3.57Å; V193-Y210 HydrophobicContact CG1-CE2 4.17Å; G206-Y210 VanDerWaalsContact O-CD2 3.31Å; G206-Y210 WeakPolarHBondContact O-CD2 3.28Å; A207-Y210 PolarHBondContact O-N 3.41Å; A207-Y210 VanDerWaalsContact O-N 3.15Å; K208-Y210 PolarHBondContact O-N 3.36Å; Y210-G212 PolarHBondContact O-N 2.88Å; Y210-T213 WeakPolarHBondContact CB-OG1 3.22Å; Y210-T213 PolarHBondContact O-N 3.18Å; Y210-T213 PolarHBondContact O-OG1 3.02Å; Y210-L215 HydrophobicContact CD1-CD1 4.09Å; Y210-L215 HydrophobicContact CD1-CD2 3.84Å; Y210-L215 HydrophobicContact CD1-CG 4.43Å; Y210-L215 HydrophobicContact CD2-CD1 4.05Å; Y210-L215 HydrophobicContact CG-CD1 3.67Å; Y210-L215 HydrophobicContact CG-CD2 4.22Å; Y210-L215 HydrophobicContact CG-CG 4.32Å; Y210-Y217 AromaticContact CD2-CD2 3.84Å; Y210-Y217 HydrophobicContact CD2-CD2 3.84Å; Y210-Y217 HydrophobicContact CD2-CE2 4.5Å; Y210-Y217 AromaticContact CE2-CD2 3.63Å; Y210-Y217 HydrophobicContact CE2-CD2 3.63Å; Y210-Y217 AromaticContact CE2-CE2 3.95Å; Y210-Y217 HydrophobicContact CE2-CE2 3.95Å
211R95.5Very high96.5Very high211 Ų21176.9 Ų76.980%0.79641%0.405SS*.THydrogen-bonded Turntrans-57132.1172.6-177.3179.3-82.3-144.5-3110A207 K208 F209A207-R211 PolarHBondContact O-N 3.28Å; K208-R211 WeakPolarHBondContact O-CB 3.36Å; K208-R211 PolarHBondContact O-N 2.88Å; F209-R211 VanDerWaalsContact C-N 3.29Å; F209-R211 PolarHBondContact O-N 2.83Å
212G93.4Very high96.6Very high82 Ų8268.1 Ų68.185%0.84537%0.367SS*.THydrogen-bonded Turntrans87.9-4.4-178.200000114.8Y210Y210-G212 PolarHBondContact O-N 2.88Å
213T93.4Very high96.7Very high18 Ų1867.8 Ų67.811%0.1137%0.368CS..SBendtrans-106.5132.5167.650.10000109.5K182 I186 Y210 L215K182-T213 HydrophobicContact CD-CG2 4.38Å; I186-T213 HydrophobicContact CD1-CG2 4.01Å; I186-T213 HydrophobicContact CG1-CG2 4.16Å; Y210-T213 WeakPolarHBondContact CB-OG1 3.22Å; Y210-T213 PolarHBondContact O-N 3.18Å; Y210-T213 PolarHBondContact O-OG1 3.02Å; T213-L215 PolarHBondContact O-N 3.26Å
214P91.4Very high96.8Very high128 Ų12870.7 Ų70.783%0.83138%0.383SS*.  trans-77.671.8-17933.3-35.6000110.4
215L96.3Very high96.8Very high24 Ų2468.9 Ų68.913%0.12637%0.373CS..  trans-138.2149.4177.769.882.2000112.1L185 T191 V193 Y210 T213L185-L215 HydrophobicContact CD1-CD2 4.5Å; T191-L215 CarbonylContact O-C 3.46Å; T191-L215 WeakPolarHBondContact O-CA 3.49Å; T191-L215 WeakPolarHBondContact O-CB 3.39Å; V193-L215 HydrophobicContact CB-CD1 4.24Å; V193-L215 HydrophobicContact CG2-CD1 3.82Å; V193-L215 HydrophobicContact CG2-CD2 4.1Å; Y210-L215 HydrophobicContact CD1-CD1 4.09Å; Y210-L215 HydrophobicContact CD1-CD2 3.84Å; Y210-L215 HydrophobicContact CD1-CG 4.43Å; Y210-L215 HydrophobicContact CD2-CD1 4.05Å; Y210-L215 HydrophobicContact CG-CD1 3.67Å; Y210-L215 HydrophobicContact CG-CD2 4.22Å; Y210-L215 HydrophobicContact CG-CG 4.32Å; T213-L215 PolarHBondContact O-N 3.26Å
216E98.1Very high96.9Very high124 Ų12470.9 Ų70.958%0.57939%0.386SS*.EExtended strand (participates in β ladder)trans-89.5144.1175-67.9-61.7144.600110.9T191 H192 V193 Y240T191-E216 PolarHBondContact O-N 3.26Å; H192-E216 CarbonylContact C-O 3.54Å; H192-E216 WeakPolarHBondContact CA-O 3.39Å; V193-E216 PolarHBondContact N-O 2.67Å; E216-Y240 WeakPolarHBondContact CB-OH 3.41Å
217Y98.6Very high97Very high51 Ų5179 Ų7920%0.242%0.416CS..EExtended strand (participates in β ladder)trans-121.6129.4-176.8176.6-92.2000112.1V193 N195 G206 A207 Y210V193-Y217 HydrophobicContact CB-CD2 4.41Å; V193-Y217 HydrophobicContact CG1-CD2 4.24Å; V193-Y217 WeakPolarHBondContact O-CA 3.46Å; N195-Y217 HydrophobicContact CB-CE2 3.68Å; N195-Y217 WeakPolarHBondContact CB-OH 3.48Å; N195-Y217 PolarHBondContact ND2-OH 3.42Å; G206-Y217 VanDerWaalsContact CA-CZ 3.46Å; A207-Y217 HydrophobicContact CB-CD1 4.22Å; A207-Y217 HydrophobicContact CB-CG 4.41Å; Y210-Y217 AromaticContact CD2-CD2 3.84Å; Y210-Y217 HydrophobicContact CD2-CD2 3.84Å; Y210-Y217 HydrophobicContact CD2-CE2 4.5Å; Y210-Y217 AromaticContact CE2-CD2 3.63Å; Y210-Y217 HydrophobicContact CE2-CD2 3.63Å; Y210-Y217 AromaticContact CE2-CE2 3.95Å; Y210-Y217 HydrophobicContact CE2-CE2 3.95Å
218Y98.8Very high97.1Very high68 Ų6877.9 Ų77.927%0.26740%0.399SS..EExtended strand (participates in β ladder)trans-121.6116.4171.5-163.6-53.5000109.2V193 V194 N195 I220 V237 Y240V193-Y218 PolarHBondContact O-N 3.4Å; V194-Y218 CarbonylContact C-O 3.49Å; V194-Y218 WeakPolarHBondContact CA-O 3.47Å; N195-Y218 PolarHBondContact N-O 3Å; Y218-I220 HydrophobicContact CD1-CD1 4.44Å; Y218-I220 HydrophobicContact CD1-CG1 3.93Å; Y218-I220 HydrophobicContact CE1-CD1 4.25Å; Y218-I220 HydrophobicContact CE1-CG1 3.74Å; Y218-V237 HydrophobicContact CE1-CG2 4.22Å; Y218-Y240 HydrophobicContact CD2-CD1 4.07Å; Y218-Y240 AromaticContact CD2-CD2 3.74Å; Y218-Y240 HydrophobicContact CD2-CD2 3.74Å; Y218-Y240 HydrophobicContact CD2-CE1 4.33Å; Y218-Y240 HydrophobicContact CD2-CE2 4.01Å; Y218-Y240 AromaticContact CD2-CG 3.75Å; Y218-Y240 HydrophobicContact CD2-CG 3.75Å; Y218-Y240 HydrophobicContact CE2-CD2 4.35Å; Y218-Y240 HydrophobicContact CE2-CG 4.3Å
219G98.6Very high97.2Very high35 Ų3572.4 Ų72.436%0.36138%0.379SS..EExtended strand (participates in β ladder)trans-104.913817800000113.1
220I98.7Very high97.3Very high4 Ų469.6 Ų69.62%0.02137%0.367CS..  trans-129.3120.3173-53165.6000108V194 N195 V196 A197 A198 Y218 A222 H233 V237V194-I220 HydrophobicContact CG1-CD1 4.36Å; N195-I220 PolarHBondContact O-N 3.36Å; V196-I220 CarbonylContact C-O 3.55Å; V196-I220 HydrophobicContact CG1-CD1 4.29Å; V196-I220 HydrophobicContact CG2-CD1 4.44Å; A197-I220 PolarHBondContact N-O 3.32Å; A198-I220 WeakPolarHBondContact CB-O 3.14Å; A198-I220 PolarHBondContact N-O 3.1Å; Y218-I220 HydrophobicContact CD1-CD1 4.44Å; Y218-I220 HydrophobicContact CD1-CG1 3.93Å; Y218-I220 HydrophobicContact CE1-CD1 4.25Å; Y218-I220 HydrophobicContact CE1-CG1 3.74Å; I220-A222 VanDerWaalsContact C-N 3.32Å; I220-A222 HydrophobicContact CG2-CB 4.03Å; I220-A222 PolarHBondContact O-N 2.79Å; I220-H233 HydrophobicContact CD1-CB 4.3Å; I220-V237 HydrophobicContact CD1-CG2 3.5Å; I220-V237 VanDerWaalsContact CD1-CG2 3.5Å
221E98.6Very high97.3Very high154 Ų15471.6 Ų71.672%0.7238%0.381SS*.  trans-81.480.8174.4-60.8-169.8-16700109.4A198A198-E221 HydrophobicContact CB-CG 4.23Å
222A98.2Very high97.5Very high1 Ų165.5 Ų65.51%0.00837%0.367CS..  trans-113.1132.6-179.100000112.7V196 I220 F228 L230 R262V196-A222 HydrophobicContact CG1-CB 4.26Å; I220-A222 VanDerWaalsContact C-N 3.32Å; I220-A222 HydrophobicContact CG2-CB 4.03Å; I220-A222 PolarHBondContact O-N 2.79Å; A222-F228 VanDerWaalsContact CA-CZ 3.49Å; A222-F228 HydrophobicContact CB-CD1 4.13Å; A222-F228 HydrophobicContact CB-CE1 3.51Å; A222-F228 HydrophobicContact CB-CE2 4.47Å; A222-F228 HydrophobicContact CB-CZ 3.72Å; A222-L230 HydrophobicContact CB-CD1 3.89Å; A222-R262 WeakPolarHBondContact O-CD 3.15Å; A222-R262 PolarHBondContact O-NH1 2.92Å
223D98Very high97.7Very high77 Ų7764 Ų6441%0.41234%0.338SS..  trans-86.1142.5173-73.3-32.4000111.6Q202 N225 F228 F298Q202-D223 PolarHBondContact NE2-OD1 3.2Å; D223-N225 WeakPolarHBondContact CB-ND2 3.22Å; D223-N225 PolarHBondContact O-N 3.4Å; D223-F228 HydrophobicContact CB-CB 4.44Å; D223-F228 HydrophobicContact CB-CD2 4.01Å; D223-F228 HydrophobicContact CB-CG 4.39Å; D223-F298 WeakPolarHBondContact O-CZ 3.23Å
224D98.2Very high98Very high68 Ų6863.5 Ų63.536%0.36433%0.334SS..SBendtrans-86.458.4177-145.4-23.8000111.8S261 R262 N295D224-S261 VanDerWaalsContact OD1-CB 3.29Å; D224-S261 WeakPolarHBondContact OD1-CB 3.47Å; D224-S261 PolarHBondContact OD1-OG 2.98Å; D224-S261 WeakPolarHBondContact OD2-CB 3.26Å; D224-R262 HydrophobicContact CB-CG 4.14Å; D224-R262 IonicContact OD2-NE 4Å; D224-R262 PolarHBondContact OD2-NE 3.01Å; D224-R262 IonicContact OD2-NH2 3.5Å; D224-N295 PolarHBondContact OD1-ND2 3.47Å
225N97.5Very high98.3Very high51 Ų5160.6 Ų60.627%0.27331%0.312SS..SBendtrans-127.5150.5178.382.771.5000110.1D223 F227 F228 N295D223-N225 WeakPolarHBondContact CB-ND2 3.22Å; D223-N225 PolarHBondContact O-N 3.4Å; N225-F227 PolarHBondContact O-N 2.81Å; N225-F227 VanDerWaalsContact O-N 3.11Å; N225-F227 WeakPolarHBondContact OD1-CA 3.37Å; N225-F227 WeakPolarHBondContact OD1-CB 3.46Å; N225-F227 PolarHBondContact OD1-N 3.33Å; N225-F228 PolarHBondContact O-N 3.03Å; N225-F228 PolarHBondContact OD1-N 3.18Å; N225-N295 PolarHBondContact O-ND2 3.48Å
226P97.8Very high98.4Very high52 Ų5262.4 Ų62.434%0.33832%0.324SS..THydrogen-bonded Turntrans-70.5-6.2-174.129.2-36.1000114.6N295 G297P226-N295 WeakPolarHBondContact CA-OD1 3.38Å; P226-G297 WeakPolarHBondContact O-CA 3.45Å
227F97.9Very high98.4Very high189 Ų18956.5 Ų56.583%0.82930%0.297SS*.THydrogen-bonded Turntrans-100.1-11.2178.1-50.6-75.6000112.7N225 D229N225-F227 PolarHBondContact O-N 2.81Å; N225-F227 VanDerWaalsContact O-N 3.11Å; N225-F227 WeakPolarHBondContact OD1-CA 3.37Å; N225-F227 WeakPolarHBondContact OD1-CB 3.46Å; N225-F227 PolarHBondContact OD1-N 3.33Å; F227-D229 PolarHBondContact O-N 3.21Å
228F98.5Very high98.5Very high44 Ų4454.1 Ų54.119%0.19329%0.288CS..SBendtrans-70.2128.5175.5-173.6-87.6000110A222 D223 N225 L230 F298 Q301A222-F228 VanDerWaalsContact CA-CZ 3.49Å; A222-F228 HydrophobicContact CB-CD1 4.13Å; A222-F228 HydrophobicContact CB-CE1 3.51Å; A222-F228 HydrophobicContact CB-CE2 4.47Å; A222-F228 HydrophobicContact CB-CZ 3.72Å; D223-F228 HydrophobicContact CB-CB 4.44Å; D223-F228 HydrophobicContact CB-CD2 4.01Å; D223-F228 HydrophobicContact CB-CG 4.39Å; N225-F228 PolarHBondContact O-N 3.03Å; N225-F228 PolarHBondContact OD1-N 3.18Å; F228-L230 HydrophobicContact CD1-CB 4.09Å; F228-L230 HydrophobicContact CD1-CD1 4.5Å; F228-L230 HydrophobicContact CE1-CB 4.27Å; F228-L230 HydrophobicContact CE1-CD1 4.03Å; F228-L230 PolarHBondContact O-N 3.14Å; F228-F298 HydrophobicContact CB-CE1 4.31Å; F228-F298 HydrophobicContact CD1-CE1 4.3Å; F228-F298 WeakPolarHBondContact O-CE1 3.28Å; F228-Q301 PolarHBondContact O-NE2 2.81Å
229D98.6Very high98.4Very high76 Ų7656.3 Ų56.341%0.40630%0.296SS..  trans-83.692175.9-172.36.1000110.6F227 S231 V232F227-D229 PolarHBondContact O-N 3.21Å; D229-S231 VanDerWaalsContact C-N 3.29Å; D229-S231 VanDerWaalsContact OD1-CB 3.28Å; D229-S231 WeakPolarHBondContact OD1-CB 3.26Å; D229-S231 PolarHBondContact OD1-N 3.3Å; D229-S231 PolarHBondContact OD1-OG 3.38Å; D229-V232 WeakPolarHBondContact OD2-CG1 3.46Å
230L98.8Very high98.5Very high0 Ų057 Ų570%029%0.287CS..  trans-82.2-13.9175.1-168.158000111.6V196 A222 F228 V232 H233 F234 T265 I266 F298V196-L230 HydrophobicContact CG1-CD1 3.99Å; A222-L230 HydrophobicContact CB-CD1 3.89Å; F228-L230 HydrophobicContact CD1-CB 4.09Å; F228-L230 HydrophobicContact CD1-CD1 4.5Å; F228-L230 HydrophobicContact CE1-CB 4.27Å; F228-L230 HydrophobicContact CE1-CD1 4.03Å; F228-L230 PolarHBondContact O-N 3.14Å; L230-V232 VanDerWaalsContact C-N 3.26Å; L230-V232 PolarHBondContact O-N 3Å; L230-H233 HydrophobicContact CD1-CB 4.48Å; L230-H233 WeakPolarHBondContact O-CB 3.38Å; L230-H233 PolarHBondContact O-N 2.73Å; L230-F234 HydrophobicContact CB-CE1 4.3Å; L230-F234 HydrophobicContact CG-CE1 4.11Å; L230-F234 WeakPolarHBondContact O-CD1 3.44Å; L230-T265 HydrophobicContact CD2-CG2 3.95Å; L230-I266 HydrophobicContact CD1-CD1 4.2Å; L230-I266 HydrophobicContact CD2-CD1 4.47Å; L230-I266 HydrophobicContact CD2-CG1 4.41Å; L230-I266 HydrophobicContact CG-CD1 4.14Å; L230-F298 HydrophobicContact CB-CD1 3.93Å; L230-F298 HydrophobicContact CB-CE1 3.65Å; L230-F298 HydrophobicContact CB-CZ 4.22Å; L230-F298 HydrophobicContact CD2-CD1 4.27Å; L230-F298 HydrophobicContact CD2-CD2 4.16Å; L230-F298 HydrophobicContact CD2-CE1 4.07Å; L230-F298 HydrophobicContact CD2-CE2 3.96Å; L230-F298 HydrophobicContact CD2-CG 4.33Å; L230-F298 HydrophobicContact CD2-CZ 3.91Å; L230-F298 HydrophobicContact CG-CE1 4.5Å
231S98.7Very high98.5Very high46 Ų4656.8 Ų56.832%0.32229%0.286SS..G310 helixtrans-66.5-28.4-172.679.30000113.3D229 H233 F234D229-S231 VanDerWaalsContact C-N 3.29Å; D229-S231 VanDerWaalsContact OD1-CB 3.28Å; D229-S231 WeakPolarHBondContact OD1-CB 3.26Å; D229-S231 PolarHBondContact OD1-N 3.3Å; D229-S231 PolarHBondContact OD1-OG 3.38Å; S231-H233 PolarHBondContact O-N 3.25Å; S231-H233 VanDerWaalsContact O-N 3.13Å; S231-F234 WeakPolarHBondContact O-CB 3.41Å; S231-F234 WeakPolarHBondContact O-CG 3.28Å; S231-F234 PolarHBondContact O-N 2.94Å
232V98.6Very high98.5Very high84 Ų8451.9 Ų51.951%0.50926%0.261SS..G310 helixtrans-59-24.3173.6-56.20000112.5D229 L230D229-V232 WeakPolarHBondContact OD2-CG1 3.46Å; L230-V232 VanDerWaalsContact C-N 3.26Å; L230-V232 PolarHBondContact O-N 3Å
233H98.8Very high98.5Very high49 Ų4956.7 Ų56.723%0.22729%0.287CS..G310 helixtrans-93.7-9.1179.3-62.7-70.3000113.7I220 L230 S231 L235 V237 I266I220-H233 HydrophobicContact CD1-CB 4.3Å; L230-H233 HydrophobicContact CD1-CB 4.48Å; L230-H233 WeakPolarHBondContact O-CB 3.38Å; L230-H233 PolarHBondContact O-N 2.73Å; S231-H233 PolarHBondContact O-N 3.25Å; S231-H233 VanDerWaalsContact O-N 3.13Å; H233-L235 PolarHBondContact O-N 3.47Å; H233-V237 HydrophobicContact CB-CG2 4.01Å; H233-V237 VanDerWaalsContact O-CB 3.23Å; H233-V237 WeakPolarHBondContact O-CB 3.18Å; H233-V237 WeakPolarHBondContact O-CG2 3.43Å; H233-V237 PolarHBondContact O-N 3.44Å; H233-V237 VanDerWaalsContact O-N 3.1Å; H233-I266 HydrophobicContact CB-CD1 4.15Å
234F98.8Very high98.5Very high9 Ų953.2 Ų53.24%0.03927%0.269CS..Hα-helixtrans-58.5-56.3-174.7-70.8-5.1000112.4L230 S231 A238 T265 I266 A269 I273 Q301 L302 L305L230-F234 HydrophobicContact CB-CE1 4.3Å; L230-F234 HydrophobicContact CG-CE1 4.11Å; L230-F234 WeakPolarHBondContact O-CD1 3.44Å; S231-F234 WeakPolarHBondContact O-CB 3.41Å; S231-F234 WeakPolarHBondContact O-CG 3.28Å; S231-F234 PolarHBondContact O-N 2.94Å; F234-A238 WeakPolarHBondContact O-CB 3.42Å; F234-A238 PolarHBondContact O-N 3.23Å; F234-T265 HydrophobicContact CE1-CG2 3.67Å; F234-T265 HydrophobicContact CZ-CG2 3.74Å; F234-I266 HydrophobicContact CD1-CD1 4.12Å; F234-A269 HydrophobicContact CB-CB 3.95Å; F234-A269 HydrophobicContact CD1-CB 3.81Å; F234-A269 HydrophobicContact CD2-CB 4.04Å; F234-A269 HydrophobicContact CE1-CB 4.29Å; F234-A269 HydrophobicContact CE2-CB 4.5Å; F234-A269 HydrophobicContact CG-CB 3.66Å; F234-I273 HydrophobicContact CB-CD1 4.32Å; F234-Q301 HydrophobicContact CE2-CB 4.09Å; F234-Q301 HydrophobicContact CZ-CB 3.98Å; F234-L302 HydrophobicContact CE2-CD2 4.03Å; F234-L302 HydrophobicContact CE2-CG 4.49Å; F234-L302 HydrophobicContact CZ-CD2 3.99Å; F234-L302 HydrophobicContact CZ-CG 4.26Å; F234-L305 HydrophobicContact CD2-CB 4.38Å; F234-L305 HydrophobicContact CD2-CD2 3.85Å; F234-L305 HydrophobicContact CE2-CB 4.46Å; F234-L305 HydrophobicContact CE2-CD2 4.33Å
235L98.4Very high98.5Very high67 Ų6751.5 Ų51.535%0.35126%0.26SS..Hα-helixtrans-70.8-47.3-177.2-178.964.9000113.3H233 V237 A238 R239 I273H233-L235 PolarHBondContact O-N 3.47Å; L235-V237 VanDerWaalsContact C-N 3.33Å; L235-V237 PolarHBondContact O-N 3.24Å; L235-A238 PolarHBondContact O-N 3.46Å; L235-R239 HydrophobicContact CD1-CG 4.28Å; L235-R239 WeakPolarHBondContact O-CG 3.41Å; L235-R239 PolarHBondContact O-N 3.21Å; L235-I273 HydrophobicContact CD1-CG2 4.2Å
236P98.7Very high98.5Very high61 Ų6154.3 Ų54.340%0.39627%0.274SS..Hα-helixtrans-59.2-42.5-180-25.234.9000112.9Y240P236-Y240 PolarHBondContact O-N 3.07Å; P236-Y240 VanDerWaalsContact O-N 3.11Å
237V98.8Very high98.5Very high0 Ų056.1 Ų56.10%028%0.28CS..Hα-helixtrans-77.8-37.5-177.5-176.30000111.1V194 Y218 I220 H233 L235 R239 Y240 I241 I266V194-V237 HydrophobicContact CG1-CG1 3.81Å; Y218-V237 HydrophobicContact CE1-CG2 4.22Å; I220-V237 HydrophobicContact CD1-CG2 3.5Å; I220-V237 VanDerWaalsContact CD1-CG2 3.5Å; H233-V237 HydrophobicContact CB-CG2 4.01Å; H233-V237 VanDerWaalsContact O-CB 3.23Å; H233-V237 WeakPolarHBondContact O-CB 3.18Å; H233-V237 WeakPolarHBondContact O-CG2 3.43Å; H233-V237 PolarHBondContact O-N 3.44Å; H233-V237 VanDerWaalsContact O-N 3.1Å; L235-V237 VanDerWaalsContact C-N 3.33Å; L235-V237 PolarHBondContact O-N 3.24Å; V237-R239 VanDerWaalsContact C-N 3.27Å; V237-R239 PolarHBondContact O-N 3.48Å; V237-Y240 WeakPolarHBondContact O-CB 3.49Å; V237-Y240 PolarHBondContact O-N 3.45Å; V237-I241 HydrophobicContact CG1-CD1 4.06Å; V237-I241 HydrophobicContact CG1-CG1 4.41Å; V237-I241 VanDerWaalsContact O-CG1 3.3Å; V237-I241 WeakPolarHBondContact O-CG1 3.41Å; V237-I241 PolarHBondContact O-N 2.88Å; V237-I266 HydrophobicContact CB-CG2 4.22Å; V237-I266 HydrophobicContact CG1-CG2 3.48Å; V237-I266 VanDerWaalsContact CG1-CG2 3.48Å
238A98.7Very high98.5Very high1 Ų152.6 Ų52.61%0.00828%0.277CS..Hα-helixtrans-60.8-38.1173.700000111.8F234 L235 I241 R242 F270 I273 F274F234-A238 WeakPolarHBondContact O-CB 3.42Å; F234-A238 PolarHBondContact O-N 3.23Å; L235-A238 PolarHBondContact O-N 3.46Å; A238-I241 PolarHBondContact O-N 3.45Å; A238-R242 WeakPolarHBondContact O-CB 3.33Å; A238-R242 PolarHBondContact O-N 2.95Å; A238-F270 HydrophobicContact CB-CB 4.05Å; A238-F270 HydrophobicContact CB-CD2 4.28Å; A238-I273 HydrophobicContact CB-CD1 4.02Å; A238-F274 HydrophobicContact CB-CD2 3.75Å; A238-F274 HydrophobicContact CB-CE2 3.63Å; A238-F274 WeakPolarHBondContact O-CE2 3.46Å
239R98.7Very high98.3Very high115 Ų11561.6 Ų61.643%0.43431%0.309SS..Hα-helixtrans-62.2-49.5172.3-78.7176.2179.6-165.7-1111.3L235 V237 I241 R242 D243 F274L235-R239 HydrophobicContact CD1-CG 4.28Å; L235-R239 WeakPolarHBondContact O-CG 3.41Å; L235-R239 PolarHBondContact O-N 3.21Å; V237-R239 VanDerWaalsContact C-N 3.27Å; V237-R239 PolarHBondContact O-N 3.48Å; R239-I241 VanDerWaalsContact C-N 3.29Å; R239-I241 PolarHBondContact O-N 3.03Å; R239-R242 PolarHBondContact O-N 3.24Å; R239-R242 VanDerWaalsContact O-N 3.08Å; R239-D243 WeakPolarHBondContact O-CB 3.26Å; R239-D243 PolarHBondContact O-N 3.24Å; R239-F274 HydrophobicContact CB-CZ 4.46Å; R239-F274 HydrophobicContact CG-CE2 4.09Å; R239-F274 HydrophobicContact CG-CZ 3.68Å
240Y98.8Very high98.2Very high48 Ų4858.2 Ų58.219%0.18829%0.292CS..Hα-helixtrans-55.1-44175.8178.2-94.7000112.4H192 V194 E216 Y218 P236 V237 A244H192-Y240 HydrophobicContact CB-CE1 4.23Å; H192-Y240 AromaticContact CD2-CZ 3.75Å; H192-Y240 PolarHBondContact CD2-OH 3.38Å; V194-Y240 HydrophobicContact CG2-CD1 3.77Å; V194-Y240 HydrophobicContact CG2-CE1 3.61Å; E216-Y240 WeakPolarHBondContact CB-OH 3.41Å; Y218-Y240 HydrophobicContact CD2-CD1 4.07Å; Y218-Y240 AromaticContact CD2-CD2 3.74Å; Y218-Y240 HydrophobicContact CD2-CD2 3.74Å; Y218-Y240 HydrophobicContact CD2-CE1 4.33Å; Y218-Y240 HydrophobicContact CD2-CE2 4.01Å; Y218-Y240 AromaticContact CD2-CG 3.75Å; Y218-Y240 HydrophobicContact CD2-CG 3.75Å; Y218-Y240 HydrophobicContact CE2-CD2 4.35Å; Y218-Y240 HydrophobicContact CE2-CG 4.3Å; P236-Y240 PolarHBondContact O-N 3.07Å; P236-Y240 VanDerWaalsContact O-N 3.11Å; V237-Y240 WeakPolarHBondContact O-CB 3.49Å; V237-Y240 PolarHBondContact O-N 3.45Å; Y240-A244 VanDerWaalsContact O-CB 3.24Å; Y240-A244 WeakPolarHBondContact O-CB 3.47Å; Y240-A244 PolarHBondContact O-N 2.96Å
241I98.8Very high98.2Very high0 Ų062.2 Ų62.20%031%0.307CS..Hα-helixtrans-63.3-47.1175.7-65.1165.5000110.6L171 V237 A238 R239 A244 L245 V252 V254 I266 F270L171-I241 HydrophobicContact CD1-CG2 3.89Å; L171-I241 HydrophobicContact CD2-CG2 4.21Å; V237-I241 HydrophobicContact CG1-CD1 4.06Å; V237-I241 HydrophobicContact CG1-CG1 4.41Å; V237-I241 VanDerWaalsContact O-CG1 3.3Å; V237-I241 WeakPolarHBondContact O-CG1 3.41Å; V237-I241 PolarHBondContact O-N 2.88Å; A238-I241 PolarHBondContact O-N 3.45Å; R239-I241 VanDerWaalsContact C-N 3.29Å; R239-I241 PolarHBondContact O-N 3.03Å; I241-A244 PolarHBondContact O-N 3.43Å; I241-L245 HydrophobicContact CG2-CD1 3.7Å; I241-L245 HydrophobicContact CG2-CG 4.24Å; I241-L245 WeakPolarHBondContact O-CB 3.39Å; I241-L245 VanDerWaalsContact O-CG 3.22Å; I241-L245 WeakPolarHBondContact O-CG 3.3Å; I241-L245 PolarHBondContact O-N 3.1Å; I241-V252 HydrophobicContact CG1-CG1 4.34Å; I241-V254 HydrophobicContact CD1-CG2 3.9Å; I241-V254 HydrophobicContact CG1-CG2 4.41Å; I241-I266 HydrophobicContact CD1-CG2 4.01Å; I241-F270 HydrophobicContact CB-CD2 3.84Å; I241-F270 HydrophobicContact CB-CE2 4.14Å; I241-F270 HydrophobicContact CB-CG 4.34Å; I241-F270 HydrophobicContact CD1-CB 4.15Å; I241-F270 HydrophobicContact CD1-CG 4.36Å; I241-F270 HydrophobicContact CG2-CD1 4.17Å; I241-F270 HydrophobicContact CG2-CD2 3.63Å; I241-F270 HydrophobicContact CG2-CE1 4.16Å; I241-F270 HydrophobicContact CG2-CE2 3.61Å; I241-F270 HydrophobicContact CG2-CG 3.93Å; I241-F270 HydrophobicContact CG2-CZ 3.9Å
242R98.6Very high98.2Very high51 Ų5160 Ų6019%0.19229%0.291CS..Hα-helixtrans-60.5-47.8178.9174.258.881.1-155.310.3111.7A238 R239 A244 L245 N246 F270 F274 E275A238-R242 WeakPolarHBondContact O-CB 3.33Å; A238-R242 PolarHBondContact O-N 2.95Å; R239-R242 PolarHBondContact O-N 3.24Å; R239-R242 VanDerWaalsContact O-N 3.08Å; R242-A244 VanDerWaalsContact C-N 3.35Å; R242-L245 PolarHBondContact O-N 2.99Å; R242-N246 VanDerWaalsContact O-CG 3.28Å; R242-N246 PolarHBondContact O-N 2.86Å; R242-N246 PolarHBondContact O-ND2 3.45Å; R242-F270 HydrophobicContact CB-CE2 4.13Å; R242-F274 HydrophobicContact CB-CD1 4.12Å; R242-F274 HydrophobicContact CB-CD2 4.14Å; R242-F274 HydrophobicContact CB-CE1 4.17Å; R242-F274 HydrophobicContact CB-CE2 4.22Å; R242-F274 HydrophobicContact CB-CG 4.11Å; R242-F274 HydrophobicContact CB-CZ 4.23Å; R242-F274 HydrophobicContact CG-CD1 3.87Å; R242-F274 HydrophobicContact CG-CE1 3.97Å; R242-F274 HydrophobicContact CG-CG 4.3Å; R242-F274 HydrophobicContact CG-CZ 4.48Å; R242-F274 VanDerWaalsContact NH2-C 3.29Å; R242-F274 PolarHBondContact NH2-O 2.69Å; R242-E275 IonicContact CZ-OE1 3.18Å; R242-E275 IonicContact NH1-OE1 2.78Å; R242-E275 PolarHBondContact NH1-OE1 3.18Å; R242-E275 IonicContact NH2-OE1 2.73Å; R242-E275 PolarHBondContact NH2-OE1 3.05Å; R242-E275 IonicContact NH2-OE2 3.41Å; R242-E275 PolarHBondContact NH2-OE2 3.39Å
243D98.6Very high98.2Very high103 Ų10356 Ų5655%0.55127%0.267SS*.Hα-helixtrans-63.2-43.6-179.4-65.8-21.5000110.7R239 N246R239-D243 WeakPolarHBondContact O-CB 3.26Å; R239-D243 PolarHBondContact O-N 3.24Å; D243-N246 PolarHBondContact O-N 3.26Å
244A98.5Very high98.2Very high3 Ų353.7 Ų53.73%0.02526%0.256CS..Hα-helixtrans-58.1-52.6173.300000110.8H192 Y240 I241 R242 N246 I247 S250 V252H192-A244 HydrophobicContact CB-CB 4.43Å; Y240-A244 VanDerWaalsContact O-CB 3.24Å; Y240-A244 WeakPolarHBondContact O-CB 3.47Å; Y240-A244 PolarHBondContact O-N 2.96Å; I241-A244 PolarHBondContact O-N 3.43Å; R242-A244 VanDerWaalsContact C-N 3.35Å; A244-N246 PolarHBondContact O-N 3.42Å; A244-I247 WeakPolarHBondContact O-CB 3.36Å; A244-I247 PolarHBondContact O-N 2.85Å; A244-S250 VanDerWaalsContact C-OG 3.3Å; A244-S250 VanDerWaalsContact O-CB 3.25Å; A244-S250 WeakPolarHBondContact O-CB 3.48Å; A244-S250 PolarHBondContact O-OG 3.1Å; A244-V252 HydrophobicContact CB-CG2 3.6Å
245L98.3Very high98.2Very high33 Ų3353.2 Ų53.217%0.17325%0.254CS..Hα-helixtrans-65.1-19-177.4-68.9175000114.3N170 L171 I241 R242 I247 V252 F270N170-L245 HydrophobicContact CB-CD2 3.78Å; L171-L245 HydrophobicContact CB-CD1 4.42Å; I241-L245 HydrophobicContact CG2-CD1 3.7Å; I241-L245 HydrophobicContact CG2-CG 4.24Å; I241-L245 WeakPolarHBondContact O-CB 3.39Å; I241-L245 VanDerWaalsContact O-CG 3.22Å; I241-L245 WeakPolarHBondContact O-CG 3.3Å; I241-L245 PolarHBondContact O-N 3.1Å; R242-L245 PolarHBondContact O-N 2.99Å; L245-I247 VanDerWaalsContact C-N 3.27Å; L245-V252 HydrophobicContact CD2-CG2 3.94Å; L245-V252 HydrophobicContact CG-CG2 4.11Å; L245-F270 HydrophobicContact CD1-CE1 4.25Å; L245-F270 HydrophobicContact CD1-CE2 4.37Å; L245-F270 HydrophobicContact CD1-CZ 3.7Å
246N97.9Very high98.3Very high109 Ų10950 Ų5058%0.58324%0.238SC*.THydrogen-bonded Turntrans-75.4-16.5172.9-73.8-21.2000113R242 D243 A244R242-N246 VanDerWaalsContact O-CG 3.28Å; R242-N246 PolarHBondContact O-N 2.86Å; R242-N246 PolarHBondContact O-ND2 3.45Å; D243-N246 PolarHBondContact O-N 3.26Å; A244-N246 PolarHBondContact O-N 3.42Å
247I97.9Very high98.2Very high90 Ų9048.7 Ų48.746%0.46223%0.232SC..SBendtrans-78.2126.4176-59.1167.5000108.8A244 L245 R249 S250A244-I247 WeakPolarHBondContact O-CB 3.36Å; A244-I247 PolarHBondContact O-N 2.85Å; L245-I247 VanDerWaalsContact C-N 3.27Å; I247-R249 PolarHBondContact O-N 3.35Å; I247-S250 VanDerWaalsContact O-CB 3.31Å; I247-S250 WeakPolarHBondContact O-CB 3.35Å; I247-S250 PolarHBondContact O-N 3.08Å; I247-S250 VanDerWaalsContact O-N 3.1Å; I247-S250 PolarHBondContact O-OG 3.43Å
248P96.2Very high98.2Very high116 Ų11654.4 Ų54.475%0.75326%0.26SS*.THydrogen-bonded Turntrans-55133.6178.8-26.934.7000112.5S250P248-S250 PolarHBondContact O-N 3.33Å; P248-S250 VanDerWaalsContact O-N 3.17Å
249R94.4Very high98.2Very high233 Ų23354.3 Ų54.388%0.87926%0.259SS*.THydrogen-bonded Turntrans64.27.8179.9-50.5177.5177173.8-1.2115.1I247I247-R249 PolarHBondContact O-N 3.35Å
250S97.6Very high98.1Very high5 Ų550.4 Ų50.44%0.03525%0.248CC..  trans-69.1151.2171.878.40000110.5N170 T191 A244 I247 P248N170-S250 WeakPolarHBondContact CB-O 3.03Å; T191-S250 WeakPolarHBondContact OG1-CA 3.22Å; T191-S250 WeakPolarHBondContact OG1-CB 3.48Å; A244-S250 VanDerWaalsContact C-OG 3.3Å; A244-S250 VanDerWaalsContact O-CB 3.25Å; A244-S250 WeakPolarHBondContact O-CB 3.48Å; A244-S250 PolarHBondContact O-OG 3.1Å; I247-S250 VanDerWaalsContact O-CB 3.31Å; I247-S250 WeakPolarHBondContact O-CB 3.35Å; I247-S250 PolarHBondContact O-N 3.08Å; I247-S250 VanDerWaalsContact O-N 3.1Å; I247-S250 PolarHBondContact O-OG 3.43Å; P248-S250 PolarHBondContact O-N 3.33Å; P248-S250 VanDerWaalsContact O-N 3.17Å
251R98.7Very high98.1Very high83 Ų8348.6 Ų48.631%0.31324%0.242SC..  trans-141.9136.3175.6-60.7178.6170.5-155.7-7.1109.4N170 F172 L188 G189 I190 T191 H192N170-R251 HydrophobicContact CB-CG 4.08Å; N170-R251 WeakPolarHBondContact O-CA 3.01Å; F172-R251 HydrophobicContact CE2-CB 4.07Å; F172-R251 HydrophobicContact CE2-CG 4.33Å; L188-R251 WeakPolarHBondContact O-CD 3.28Å; L188-R251 PolarHBondContact O-NH1 2.82Å; G189-R251 WeakPolarHBondContact O-CB 3.21Å; I190-R251 HydrophobicContact CD1-CB 4.03Å; T191-R251 PolarHBondContact N-O 2.99Å; T191-R251 PolarHBondContact OG1-N 3.15Å; T191-R251 PolarHBondContact OG1-O 3.24Å; H192-R251 PolarHBondContact N-O 3.36Å; H192-R251 VanDerWaalsContact N-O 3.08Å
252V98.9Very high98.1Very high0 Ų049.1 Ų49.10%024%0.244CC..EExtended strand (participates in β ladder)trans-115.8127.3-173.2-174.50000109.3N170 L171 F172 H192 V194 I241 A244 L245 V254N170-V252 PolarHBondContact O-N 3.06Å; L171-V252 HydrophobicContact CD1-CB 3.88Å; L171-V252 HydrophobicContact CD1-CG1 4Å; F172-V252 PolarHBondContact N-O 2.98Å; H192-V252 HydrophobicContact CB-CB 4.47Å; H192-V252 HydrophobicContact CB-CG1 4.25Å; H192-V252 HydrophobicContact CB-CG2 4.13Å; H192-V252 CarbonylContact O-C 3.53Å; H192-V252 WeakPolarHBondContact O-CA 3.44Å; V194-V252 HydrophobicContact CG2-CG1 4.29Å; I241-V252 HydrophobicContact CG1-CG1 4.34Å; A244-V252 HydrophobicContact CB-CG2 3.6Å; L245-V252 HydrophobicContact CD2-CG2 3.94Å; L245-V252 HydrophobicContact CG-CG2 4.11Å; V252-V254 HydrophobicContact CG1-CG2 4.22Å
253L98.9Very high98.1Very high0 Ų046.7 Ų46.70%024%0.235CC..EExtended strand (participates in β ladder)trans-100.8122.5165.6170.360.1000109.3I164 F172 L185 I190 H192 V193 V194 H255I164-L253 HydrophobicContact CD1-CD1 3.7Å; I164-L253 HydrophobicContact CD1-CD2 4.34Å; I164-L253 HydrophobicContact CG1-CD1 4.16Å; F172-L253 HydrophobicContact CB-CD1 4.11Å; L185-L253 HydrophobicContact CD2-CD2 3.47Å; L185-L253 VanDerWaalsContact CD2-CD2 3.47Å; I190-L253 HydrophobicContact CD1-CB 4.25Å; I190-L253 HydrophobicContact CG1-CB 4.47Å; I190-L253 HydrophobicContact CG2-CB 3.91Å; H192-L253 PolarHBondContact O-N 3.09Å; V193-L253 CarbonylContact C-O 3.54Å; V193-L253 WeakPolarHBondContact CA-O 3.22Å; V194-L253 PolarHBondContact N-O 3.17Å; L253-H255 HydrophobicContact CD1-CB 4.25Å; L253-H255 HydrophobicContact CG-CB 4.27Å
254V98.9Very high98.1Very high0 Ų041.8 Ų41.80%021%0.209CC..EExtended strand (participates in β ladder)trans-104.5122.5164.9-169.60000108L171 F172 L173 G174 V194 V196 I241 V252 I266 V267L171-V254 HydrophobicContact CD1-CG2 3.84Å; F172-V254 PolarHBondContact O-N 2.85Å; L173-V254 WeakPolarHBondContact CA-O 3.41Å; L173-V254 WeakPolarHBondContact CD1-O 3.4Å; G174-V254 PolarHBondContact N-O 3.41Å; G174-V254 VanDerWaalsContact N-O 3.1Å; V194-V254 HydrophobicContact CB-CB 4.4Å; V194-V254 HydrophobicContact CB-CG1 4.15Å; V194-V254 HydrophobicContact CB-CG2 4.16Å; V194-V254 HydrophobicContact CG1-CG1 4.21Å; V194-V254 HydrophobicContact CG2-CG2 4.35Å; V194-V254 WeakPolarHBondContact O-CA 3.4Å; V196-V254 HydrophobicContact CG2-CG1 3.76Å; I241-V254 HydrophobicContact CD1-CG2 3.9Å; I241-V254 HydrophobicContact CG1-CG2 4.41Å; V252-V254 HydrophobicContact CG1-CG2 4.22Å; V254-I266 HydrophobicContact CG1-CB 4.34Å; V254-I266 HydrophobicContact CG1-CG2 4.06Å; V254-V267 HydrophobicContact CB-CG2 3.88Å; V254-V267 HydrophobicContact CG1-CG2 4.18Å; V254-V267 HydrophobicContact CG2-CG2 3.97Å
255H98.9Very high98.2Very high0 Ų041.6 Ų41.60%021%0.208CC..EExtended strand (participates in β ladder)trans-134.7159.7-17883.190000112.8G174 A179 V194 N195 V196 L253 S263G174-H255 WeakPolarHBondContact O-CA 3.41Å; G174-H255 VanDerWaalsContact O-CB 3.26Å; G174-H255 WeakPolarHBondContact O-CB 3.47Å; A179-H255 HydrophobicContact CB-CB 4.37Å; A179-H255 VanDerWaalsContact CB-CE1 3.42Å; A179-H255 WeakPolarHBondContact CB-CE1 3.39Å; A179-H255 WeakPolarHBondContact CB-ND1 3.48Å; A179-H255 WeakPolarHBondContact CB-NE2 3.48Å; V194-H255 PolarHBondContact O-N 3.48Å; N195-H255 WeakPolarHBondContact CA-NE2 3.39Å; N195-H255 WeakPolarHBondContact CB-NE2 2.93Å; N195-H255 VanDerWaalsContact CG-NE2 3.31Å; N195-H255 PolarHBondContact OD1-CE1 3Å; N195-H255 VanDerWaalsContact OD1-CE1 3.25Å; V196-H255 PolarHBondContact N-O 2.9Å; L253-H255 HydrophobicContact CD1-CB 4.25Å; L253-H255 HydrophobicContact CG-CB 4.27Å; H255-S263 VanDerWaalsContact C-CB 3.42Å
256C98.6Very high98.2Very high0 Ų040.1 Ų40.10%020%0.2CC..  trans-135.1-148.9165.770.10000108.6G174 D175 A176 V196 A197 G259 R262 S263G174-C256 PolarHBondContact O-N 3.45Å; D175-C256 CarbonylContact C-O 3.46Å; A176-C256 PolarHBondContact N-O 3.42Å; A176-C256 VanDerWaalsContact N-O 3.14Å; V196-C256 HydrophobicContact CB-CB 4.47Å; A197-C256 HydrophobicContact CB-CB 4.02Å; C256-G259 PolarHBondContact SG-N 3.42Å; C256-R262 HydrophobicContact CB-CB 3.87Å; C256-S263 PolarHBondContact N-OG 2.95Å; C256-S263 PolarHBondContact SG-OG 3.11Å
257A98.3Very high98.2Very high33 Ų3335 Ų3527%0.27317%0.172SC..SBendtrans-66.9-50.3174.800000112.3D175 A176D175-A257 WeakPolarHBondContact CB-O 3.32Å; A176-A257 PolarHBondContact N-O 2.97Å
258M98.1Very high98.3Very high119 Ų11930.7 Ų30.759%0.58615%0.15SC*.SBendtrans-111.8-10.5-176.7-65.1-56.9-60.600113.9D175 V260 R290D175-M258 VanDerWaalsContact CB-C 3.47Å; M258-V260 VanDerWaalsContact C-N 3.31Å; M258-V260 HydrophobicContact CB-CB 4.4Å; M258-V260 HydrophobicContact CB-CG2 4.17Å; M258-V260 WeakPolarHBondContact O-CG2 3.38Å; M258-V260 PolarHBondContact O-N 3.26Å; M258-R290 PolarHBondContact O-NH2 3.48Å
259G97.9Very high98.4Very high0 Ų025.1 Ų25.10%011%0.114CC..SBendtrans69.724.4-175.200000114.7G174 C256 S263 R290G174-G259 WeakPolarHBondContact O-CA 3.44Å; G174-G259 PolarHBondContact O-N 3.42Å; C256-G259 PolarHBondContact SG-N 3.42Å; G259-S263 WeakPolarHBondContact CA-OG 3.34Å; G259-R290 PolarHBondContact O-NE 2.71Å
260V97.9Very high98.6Very high32 Ų3214 Ų1419%0.1947%0.073CC..SBendtrans-118.3-35.7-170.4173.40000113.2L161 M258 A264 C293L161-V260 HydrophobicContact CD2-CG2 3.71Å; M258-V260 VanDerWaalsContact C-N 3.31Å; M258-V260 HydrophobicContact CB-CB 4.4Å; M258-V260 HydrophobicContact CB-CG2 4.17Å; M258-V260 WeakPolarHBondContact O-CG2 3.38Å; M258-V260 PolarHBondContact O-N 3.26Å; V260-A264 WeakPolarHBondContact O-CB 2.98Å; V260-C293 HydrophobicContact CG1-CB 3.72Å; V260-C293 VanDerWaalsContact CG1-N 3.3Å; V260-C293 CarbonylContact O-C 3.42Å; V260-C293 PolarHBondContact O-N 3.4Å
261S98.6Very high98.7Very high10 Ų1013.8 Ų13.87%0.077%0.071CC..SBendtrans-116-77.9-172.6173.40000113.3D224 A264 T265 N295D224-S261 VanDerWaalsContact OD1-CB 3.29Å; D224-S261 WeakPolarHBondContact OD1-CB 3.47Å; D224-S261 PolarHBondContact OD1-OG 2.98Å; D224-S261 WeakPolarHBondContact OD2-CB 3.26Å; S261-A264 PolarHBondContact O-N 3.3Å; S261-T265 WeakPolarHBondContact O-CB 3.43Å; S261-T265 PolarHBondContact O-N 2.85Å; S261-T265 PolarHBondContact O-OG1 2.91Å; S261-N295 PolarHBondContact OG-N 2.99Å
262R98.9Very high98.7Very high11 Ų1110 Ų104%0.0426%0.057CC..Hα-helixtrans-53.5-58.1-178.9-73.8169-74.2179.7-5.7113.9V196 A197 A222 D224 C256 A264 T265 I266 F298V196-R262 HydrophobicContact CB-CB 4.21Å; V196-R262 HydrophobicContact CG1-CB 3.9Å; V196-R262 WeakPolarHBondContact O-CD 3.46Å; A197-R262 VanDerWaalsContact CB-NH1 3.29Å; A222-R262 WeakPolarHBondContact O-CD 3.15Å; A222-R262 PolarHBondContact O-NH1 2.92Å; D224-R262 HydrophobicContact CB-CG 4.14Å; D224-R262 IonicContact OD2-NE 4Å; D224-R262 PolarHBondContact OD2-NE 3.01Å; D224-R262 IonicContact OD2-NH2 3.5Å; C256-R262 HydrophobicContact CB-CB 3.87Å; R262-A264 PolarHBondContact O-N 2.6Å; R262-T265 WeakPolarHBondContact O-CB 3.49Å; R262-T265 PolarHBondContact O-N 3.41Å; R262-I266 PolarHBondContact O-N 2.88Å; R262-F298 HydrophobicContact CB-CE2 4.31Å; R262-F298 HydrophobicContact CG-CE2 3.53Å; R262-F298 HydrophobicContact CG-CZ 3.93Å
263S98.9Very high98.7Very high0 Ų011.7 Ų11.70%07%0.065CC..Hα-helixtrans-66-37.6-179.551.40000112.8L173 H255 C256 G259 T265 I266 V267L173-S263 VanDerWaalsContact CD1-OG 3.32Å; L173-S263 WeakPolarHBondContact CD1-OG 3.42Å; H255-S263 VanDerWaalsContact C-CB 3.42Å; C256-S263 PolarHBondContact N-OG 2.95Å; C256-S263 PolarHBondContact SG-OG 3.11Å; G259-S263 WeakPolarHBondContact CA-OG 3.34Å; S263-T265 VanDerWaalsContact C-N 3.29Å; S263-T265 PolarHBondContact O-N 3.25Å; S263-I266 PolarHBondContact O-N 3.01Å; S263-V267 WeakPolarHBondContact O-CG2 3.44Å; S263-V267 PolarHBondContact O-N 2.88Å
264A98.8Very high98.6Very high0 Ų014.7 Ų14.70%08%0.079CC..Hα-helixtrans-59.7-43.2174.300000111L173 V260 S261 R262 I266 V267 L268 I292 P294L173-A264 HydrophobicContact CD2-CB 3.98Å; V260-A264 WeakPolarHBondContact O-CB 2.98Å; S261-A264 PolarHBondContact O-N 3.3Å; R262-A264 PolarHBondContact O-N 2.6Å; A264-I266 VanDerWaalsContact C-N 3.33Å; A264-I266 PolarHBondContact O-N 3.38Å; A264-V267 PolarHBondContact O-N 3.2Å; A264-L268 VanDerWaalsContact O-CG 3.24Å; A264-L268 WeakPolarHBondContact O-CG 3.45Å; A264-L268 PolarHBondContact O-N 3.49Å; A264-I292 HydrophobicContact CB-CB 3.79Å; A264-I292 HydrophobicContact CB-CD1 4.4Å; A264-I292 HydrophobicContact CB-CG2 3.53Å; A264-P294 HydrophobicContact CB-CG 4.41Å
265T98.9Very high98.5Very high0 Ų017.2 Ų17.20%09%0.09CC..Hα-helixtrans-58.6-43.7177.7-53.80000111.7L230 F234 S261 R262 S263 L268 A269 P294 F298 L302L230-T265 HydrophobicContact CD2-CG2 3.95Å; F234-T265 HydrophobicContact CE1-CG2 3.67Å; F234-T265 HydrophobicContact CZ-CG2 3.74Å; S261-T265 WeakPolarHBondContact O-CB 3.43Å; S261-T265 PolarHBondContact O-N 2.85Å; S261-T265 PolarHBondContact O-OG1 2.91Å; R262-T265 WeakPolarHBondContact O-CB 3.49Å; R262-T265 PolarHBondContact O-N 3.41Å; S263-T265 VanDerWaalsContact C-N 3.29Å; S263-T265 PolarHBondContact O-N 3.25Å; T265-L268 PolarHBondContact O-N 2.62Å; T265-A269 WeakPolarHBondContact O-CB 3.5Å; T265-A269 PolarHBondContact O-N 3.22Å; T265-P294 WeakPolarHBondContact OG1-CB 3.24Å; T265-F298 HydrophobicContact CG2-CB 3.78Å; T265-F298 HydrophobicContact CG2-CG 4.19Å; T265-F298 WeakPolarHBondContact OG1-CB 3.49Å; T265-F298 WeakPolarHBondContact OG1-CD2 3.43Å; T265-L302 HydrophobicContact CG2-CD1 3.86Å; T265-L302 HydrophobicContact CG2-CD2 4.18Å; T265-L302 HydrophobicContact CG2-CG 3.91Å
266I98.9Very high98.4Very high2 Ų221.7 Ų21.71%0.0111%0.114CC..Hα-helixtrans-62.5-45.2175.9-69.2-62.6000111.4V196 L230 H233 F234 V237 I241 V254 R262 S263 A264 A269 F270V196-I266 HydrophobicContact CG1-CG1 3.88Å; V196-I266 HydrophobicContact CG2-CB 4.47Å; V196-I266 HydrophobicContact CG2-CG1 3.99Å; L230-I266 HydrophobicContact CD1-CD1 4.2Å; L230-I266 HydrophobicContact CD2-CD1 4.47Å; L230-I266 HydrophobicContact CD2-CG1 4.41Å; L230-I266 HydrophobicContact CG-CD1 4.14Å; H233-I266 HydrophobicContact CB-CD1 4.15Å; F234-I266 HydrophobicContact CD1-CD1 4.12Å; V237-I266 HydrophobicContact CB-CG2 4.22Å; V237-I266 HydrophobicContact CG1-CG2 3.48Å; V237-I266 VanDerWaalsContact CG1-CG2 3.48Å; I241-I266 HydrophobicContact CD1-CG2 4.01Å; V254-I266 HydrophobicContact CG1-CB 4.34Å; V254-I266 HydrophobicContact CG1-CG2 4.06Å; R262-I266 PolarHBondContact O-N 2.88Å; S263-I266 PolarHBondContact O-N 3.01Å; A264-I266 VanDerWaalsContact C-N 3.33Å; A264-I266 PolarHBondContact O-N 3.38Å; I266-A269 PolarHBondContact O-N 3.15Å; I266-F270 PolarHBondContact O-N 2.96Å
267V98.9Very high98.3Very high0 Ų022.9 Ų22.90%012%0.12CC..Hα-helixtrans-63.4-43.3177.9171.90000111.4V167 L171 L173 V254 S263 A264 A269 F270 L271 V286V167-V267 HydrophobicContact CG2-CG1 3.95Å; L171-V267 HydrophobicContact CD2-CG1 4.04Å; L173-V267 HydrophobicContact CD1-CG2 4.09Å; V254-V267 HydrophobicContact CB-CG2 3.88Å; V254-V267 HydrophobicContact CG1-CG2 4.18Å; V254-V267 HydrophobicContact CG2-CG2 3.97Å; S263-V267 WeakPolarHBondContact O-CG2 3.44Å; S263-V267 PolarHBondContact O-N 2.88Å; A264-V267 PolarHBondContact O-N 3.2Å; V267-A269 PolarHBondContact O-N 3.19Å; V267-F270 WeakPolarHBondContact O-CB 3.21Å; V267-F270 PolarHBondContact O-N 3.35Å; V267-L271 HydrophobicContact CG1-CD1 4.42Å; V267-L271 WeakPolarHBondContact O-CG 3.42Å; V267-L271 PolarHBondContact O-N 2.74Å; V267-V286 HydrophobicContact CG1-CG2 3.89Å
268L98.9Very high98.2Very high0 Ų021.8 Ų21.80%011%0.11CC..Hα-helixtrans-59.4-46.8175.6-67.9174.9000111.3A264 T265 F270 L271 M272 A282 I283 V286 I292 P294 L302A264-L268 VanDerWaalsContact O-CG 3.24Å; A264-L268 WeakPolarHBondContact O-CG 3.45Å; A264-L268 PolarHBondContact O-N 3.49Å; T265-L268 PolarHBondContact O-N 2.62Å; L268-F270 VanDerWaalsContact C-N 3.31Å; L268-F270 PolarHBondContact O-N 2.87Å; L268-L271 PolarHBondContact O-N 3.26Å; L268-M272 VanDerWaalsContact O-CG 3.22Å; L268-M272 WeakPolarHBondContact O-CG 3.42Å; L268-M272 PolarHBondContact O-N 3.27Å; L268-A282 HydrophobicContact CD2-CB 3.83Å; L268-A282 VanDerWaalsContact CD2-O 3.28Å; L268-A282 WeakPolarHBondContact CD2-O 3.29Å; L268-I283 HydrophobicContact CD1-CG1 3.94Å; L268-I283 HydrophobicContact CD2-CB 4.47Å; L268-I283 HydrophobicContact CD2-CG1 3.95Å; L268-V286 HydrophobicContact CD2-CB 4.29Å; L268-V286 HydrophobicContact CD2-CG2 3.89Å; L268-I292 HydrophobicContact CD1-CD1 3.92Å; L268-I292 HydrophobicContact CD2-CD1 3.99Å; L268-I292 HydrophobicContact CG-CD1 4.2Å; L268-P294 HydrophobicContact CD1-CG 3.98Å; L268-L302 HydrophobicContact CB-CD1 4.06Å; L268-L302 HydrophobicContact CB-CD2 4.23Å; L268-L302 HydrophobicContact CD1-CD1 3.69Å
269A98.9Very high98.2Very high0 Ų016.1 Ų16.10%08%0.082CC..Hα-helixtrans-60.4-40.7176.800000112F234 T265 I266 V267 M272 I273 L302 L305F234-A269 HydrophobicContact CB-CB 3.95Å; F234-A269 HydrophobicContact CD1-CB 3.81Å; F234-A269 HydrophobicContact CD2-CB 4.04Å; F234-A269 HydrophobicContact CE1-CB 4.29Å; F234-A269 HydrophobicContact CE2-CB 4.5Å; F234-A269 HydrophobicContact CG-CB 3.66Å; T265-A269 WeakPolarHBondContact O-CB 3.5Å; T265-A269 PolarHBondContact O-N 3.22Å; I266-A269 PolarHBondContact O-N 3.15Å; V267-A269 PolarHBondContact O-N 3.19Å; A269-M272 PolarHBondContact O-N 2.89Å; A269-I273 WeakPolarHBondContact O-CB 3.49Å; A269-I273 WeakPolarHBondContact O-CD1 3.43Å; A269-I273 WeakPolarHBondContact O-CG1 3.22Å; A269-I273 PolarHBondContact O-N 2.83Å; A269-L302 HydrophobicContact CB-CD2 3.95Å; A269-L305 HydrophobicContact CB-CD2 3.82Å
270F98.9Very high98.1Very high0 Ų017.5 Ų17.50%09%0.091CC..Hα-helixtrans-58.1-51.6174.3160.3-98.3000112L171 A238 I241 R242 L245 I266 V267 L268 M272 I273 F274 E275L171-F270 HydrophobicContact CD2-CD1 3.59Å; L171-F270 HydrophobicContact CD2-CE1 3.63Å; A238-F270 HydrophobicContact CB-CB 4.05Å; A238-F270 HydrophobicContact CB-CD2 4.28Å; I241-F270 HydrophobicContact CB-CD2 3.84Å; I241-F270 HydrophobicContact CB-CE2 4.14Å; I241-F270 HydrophobicContact CB-CG 4.34Å; I241-F270 HydrophobicContact CD1-CB 4.15Å; I241-F270 HydrophobicContact CD1-CG 4.36Å; I241-F270 HydrophobicContact CG2-CD1 4.17Å; I241-F270 HydrophobicContact CG2-CD2 3.63Å; I241-F270 HydrophobicContact CG2-CE1 4.16Å; I241-F270 HydrophobicContact CG2-CE2 3.61Å; I241-F270 HydrophobicContact CG2-CG 3.93Å; I241-F270 HydrophobicContact CG2-CZ 3.9Å; R242-F270 HydrophobicContact CB-CE2 4.13Å; L245-F270 HydrophobicContact CD1-CE1 4.25Å; L245-F270 HydrophobicContact CD1-CE2 4.37Å; L245-F270 HydrophobicContact CD1-CZ 3.7Å; I266-F270 PolarHBondContact O-N 2.96Å; V267-F270 WeakPolarHBondContact O-CB 3.21Å; V267-F270 PolarHBondContact O-N 3.35Å; L268-F270 VanDerWaalsContact C-N 3.31Å; L268-F270 PolarHBondContact O-N 2.87Å; F270-M272 VanDerWaalsContact C-N 3.29Å; F270-M272 PolarHBondContact O-N 2.88Å; F270-I273 PolarHBondContact O-N 2.8Å; F270-F274 HydrophobicContact CD2-CB 4.21Å; F270-F274 AromaticContact CD2-CD2 3.96Å; F270-F274 HydrophobicContact CD2-CD2 3.96Å; F270-F274 HydrophobicContact CD2-CG 4.48Å; F270-F274 HydrophobicContact CE2-CB 3.95Å; F270-F274 HydrophobicContact CE2-CD2 4.24Å; F270-F274 HydrophobicContact CE2-CG 4.37Å; F270-F274 PolarHBondContact O-N 3.43Å; F270-E275 HydrophobicContact CE1-CG 4.26Å; F270-E275 HydrophobicContact CZ-CG 4.39Å
271L98.8Very high98Very high0 Ų019.1 Ų19.10%010%0.098CC..Hα-helixtrans-60.8-39.7179.7-66.5177.3000111.8W168 V267 L268 E275 N276 M277 A282 T285 V286W168-L271 HydrophobicContact CB-CD2 4.23Å; W168-L271 HydrophobicContact CD2-CD2 3.68Å; W168-L271 HydrophobicContact CE3-CD2 4.05Å; W168-L271 HydrophobicContact CG-CD2 3.77Å; V267-L271 HydrophobicContact CG1-CD1 4.42Å; V267-L271 WeakPolarHBondContact O-CG 3.42Å; V267-L271 PolarHBondContact O-N 2.74Å; L268-L271 PolarHBondContact O-N 3.26Å; L271-E275 HydrophobicContact CD2-CB 4.32Å; L271-E275 HydrophobicContact CD2-CG 3.76Å; L271-E275 CarbonylContact O-C 3.6Å; L271-E275 WeakPolarHBondContact O-CA 3.43Å; L271-E275 VanDerWaalsContact O-CB 3.3Å; L271-E275 WeakPolarHBondContact O-CB 3.46Å; L271-E275 PolarHBondContact O-N 2.96Å; L271-N276 PolarHBondContact O-N 2.9Å; L271-M277 HydrophobicContact CB-CG 4.49Å; L271-M277 HydrophobicContact CB-SD 3.87Å; L271-M277 HydrophobicContact CD1-SD 4.2Å; L271-M277 HydrophobicContact CD2-SD 4.42Å; L271-M277 HydrophobicContact CG-SD 4.39Å; L271-M277 PolarHBondContact O-N 2.91Å; L271-A282 HydrophobicContact CB-CB 4.06Å; L271-A282 HydrophobicContact CD1-CB 4.37Å; L271-T285 HydrophobicContact CD1-CG2 4.13Å; L271-V286 HydrophobicContact CD1-CG2 3.65Å
272M98.6Very high98Very high4 Ų418.6 Ų18.62%0.0210%0.095CC..Hα-helixtrans-64.4-46.8176.7-66.8166.46500112L268 A269 F270 M277 L279 A282 L302 L305 D306 L309L268-M272 VanDerWaalsContact O-CG 3.22Å; L268-M272 WeakPolarHBondContact O-CG 3.42Å; L268-M272 PolarHBondContact O-N 3.27Å; A269-M272 PolarHBondContact O-N 2.89Å; F270-M272 VanDerWaalsContact C-N 3.29Å; F270-M272 PolarHBondContact O-N 2.88Å; M272-M277 WeakPolarHBondContact CA-O 3.39Å; M272-L279 HydrophobicContact CE-CB 4.02Å; M272-L279 HydrophobicContact SD-CB 4.13Å; M272-L279 HydrophobicContact SD-CD1 3.83Å; M272-A282 HydrophobicContact CG-CB 3.95Å; M272-L302 HydrophobicContact SD-CD2 3.98Å; M272-L305 HydrophobicContact CB-CD2 4.36Å; M272-L305 HydrophobicContact CE-CB 4.15Å; M272-L305 HydrophobicContact CE-CD2 3.9Å; M272-L305 HydrophobicContact CE-CG 3.89Å; M272-L305 HydrophobicContact SD-CD2 4.14Å; M272-D306 HydrophobicContact CE-CB 3.56Å; M272-L309 HydrophobicContact CB-CD1 3.75Å; M272-L309 HydrophobicContact CE-CD1 4.42Å
273I98.3Very high98Very high35 Ų3518.1 Ų18.118%0.1799%0.093CC..Hα-helixtrans-71.8-44.5-175.1-67.7165.4000111.6F234 L235 A238 A269 F270 L305 L309F234-I273 HydrophobicContact CB-CD1 4.32Å; L235-I273 HydrophobicContact CD1-CG2 4.2Å; A238-I273 HydrophobicContact CB-CD1 4.02Å; A269-I273 WeakPolarHBondContact O-CB 3.49Å; A269-I273 WeakPolarHBondContact O-CD1 3.43Å; A269-I273 WeakPolarHBondContact O-CG1 3.22Å; A269-I273 PolarHBondContact O-N 2.83Å; F270-I273 PolarHBondContact O-N 2.8Å; I273-L305 HydrophobicContact CD1-CD1 4.32Å; I273-L305 HydrophobicContact CD1-CD2 4.23Å; I273-L305 HydrophobicContact CG1-CD1 4.14Å; I273-L305 HydrophobicContact CG1-CD2 4.17Å; I273-L309 HydrophobicContact CG1-CD1 4.15Å; I273-L309 HydrophobicContact CG1-CD2 4.47Å
274F98.1Very high97.9Very high63 Ų6321.9 Ų21.928%0.27611%0.11SC..Hα-helixtrans-110.4-24.8-165.7-82.2-68000114.5A238 R239 R242 F270A238-F274 HydrophobicContact CB-CD2 3.75Å; A238-F274 HydrophobicContact CB-CE2 3.63Å; A238-F274 WeakPolarHBondContact O-CE2 3.46Å; R239-F274 HydrophobicContact CB-CZ 4.46Å; R239-F274 HydrophobicContact CG-CE2 4.09Å; R239-F274 HydrophobicContact CG-CZ 3.68Å; R242-F274 HydrophobicContact CB-CD1 4.12Å; R242-F274 HydrophobicContact CB-CD2 4.14Å; R242-F274 HydrophobicContact CB-CE1 4.17Å; R242-F274 HydrophobicContact CB-CE2 4.22Å; R242-F274 HydrophobicContact CB-CG 4.11Å; R242-F274 HydrophobicContact CB-CZ 4.23Å; R242-F274 HydrophobicContact CG-CD1 3.87Å; R242-F274 HydrophobicContact CG-CE1 3.97Å; R242-F274 HydrophobicContact CG-CG 4.3Å; R242-F274 HydrophobicContact CG-CZ 4.48Å; R242-F274 VanDerWaalsContact NH2-C 3.29Å; R242-F274 PolarHBondContact NH2-O 2.69Å; F270-F274 HydrophobicContact CD2-CB 4.21Å; F270-F274 AromaticContact CD2-CD2 3.96Å; F270-F274 HydrophobicContact CD2-CD2 3.96Å; F270-F274 HydrophobicContact CD2-CG 4.48Å; F270-F274 HydrophobicContact CE2-CB 3.95Å; F270-F274 HydrophobicContact CE2-CD2 4.24Å; F270-F274 HydrophobicContact CE2-CG 4.37Å; F270-F274 PolarHBondContact O-N 3.43Å
275E97.3Very high97.8Very high53 Ų5323.5 Ų23.525%0.24812%0.12CC..SBendtrans-102.510.4177.5-55.1-61.4163.300112.1W168 R242 F270 L271 M277W168-E275 HydrophobicContact CH2-CG 4.5Å; W168-E275 HydrophobicContact CZ2-CB 4.27Å; W168-E275 VanDerWaalsContact CZ2-CD 3.48Å; W168-E275 HydrophobicContact CZ2-CG 3.7Å; W168-E275 PolarHBondContact NE1-OE1 3.31Å; R242-E275 IonicContact CZ-OE1 3.18Å; R242-E275 IonicContact NH1-OE1 2.78Å; R242-E275 PolarHBondContact NH1-OE1 3.18Å; R242-E275 IonicContact NH2-OE1 2.73Å; R242-E275 PolarHBondContact NH2-OE1 3.05Å; R242-E275 IonicContact NH2-OE2 3.41Å; R242-E275 PolarHBondContact NH2-OE2 3.39Å; F270-E275 HydrophobicContact CE1-CG 4.26Å; F270-E275 HydrophobicContact CZ-CG 4.39Å; L271-E275 HydrophobicContact CD2-CB 4.32Å; L271-E275 HydrophobicContact CD2-CG 3.76Å; L271-E275 CarbonylContact O-C 3.6Å; L271-E275 WeakPolarHBondContact O-CA 3.43Å; L271-E275 VanDerWaalsContact O-CB 3.3Å; L271-E275 WeakPolarHBondContact O-CB 3.46Å; L271-E275 PolarHBondContact O-N 2.96Å; E275-M277 VanDerWaalsContact C-N 3.3Å; E275-M277 HydrophobicContact CB-CE 4.17Å; E275-M277 HydrophobicContact CB-CG 4.19Å; E275-M277 PolarHBondContact O-N 3.05Å
276N95.3Very high97.8Very high93 Ų9323.5 Ų23.550%0.49712%0.12SC..  trans50.150.4179.7-17028.4000111.3L271 R315L271-N276 PolarHBondContact O-N 2.9Å; N276-R315 PolarHBondContact O-NH2 3.44Å; N276-R315 PolarHBondContact OD1-NH2 2.99Å
277M96.8Very high97.6Very high26 Ų2624 Ų2413%0.12812%0.123CC..  trans-100.5147.6176.7-67-169.417900111.1W168 L271 M272 E275 D281 A282 T285 R315W168-M277 HydrophobicContact CE3-CE 4.2Å; W168-M277 HydrophobicContact CH2-CE 3.56Å; W168-M277 HydrophobicContact CZ2-CE 4.45Å; W168-M277 HydrophobicContact CZ3-CE 3.41Å; W168-M277 VanDerWaalsContact CZ3-CE 3.41Å; L271-M277 HydrophobicContact CB-CG 4.49Å; L271-M277 HydrophobicContact CB-SD 3.87Å; L271-M277 HydrophobicContact CD1-SD 4.2Å; L271-M277 HydrophobicContact CD2-SD 4.42Å; L271-M277 HydrophobicContact CG-SD 4.39Å; L271-M277 PolarHBondContact O-N 2.91Å; M272-M277 WeakPolarHBondContact CA-O 3.39Å; E275-M277 VanDerWaalsContact C-N 3.3Å; E275-M277 HydrophobicContact CB-CE 4.17Å; E275-M277 HydrophobicContact CB-CG 4.19Å; E275-M277 PolarHBondContact O-N 3.05Å; M277-D281 HydrophobicContact CB-CB 4.15Å; M277-D281 HydrophobicContact CG-CB 4.5Å; M277-A282 HydrophobicContact CB-CB 4.21Å; M277-T285 HydrophobicContact CE-CG2 4.34Å; M277-R315 PolarHBondContact O-NH1 3.28Å
278T97Very high97.4Very high9 Ų927.6 Ų27.66%0.05515%0.152CC..  trans-71.9164.4162.1700000109.5Y141 V280 D281 A282Y141-T278 HydrophobicContact CD1-CG2 4.36Å; Y141-T278 HydrophobicContact CD2-CG2 4.34Å; Y141-T278 HydrophobicContact CE1-CG2 4.09Å; Y141-T278 HydrophobicContact CE2-CG2 4.03Å; Y141-T278 HydrophobicContact CG-CG2 4.5Å; T278-V280 PolarHBondContact O-N 3.45Å; T278-V280 PolarHBondContact OG1-N 2.94Å; T278-D281 WeakPolarHBondContact CB-OD2 3.34Å; T278-D281 WeakPolarHBondContact CG2-OD2 3.34Å; T278-D281 PolarHBondContact N-OD2 3.1Å; T278-D281 PolarHBondContact O-N 3.1Å; T278-D281 PolarHBondContact OG1-N 3.01Å; T278-D281 PolarHBondContact OG1-OD2 2.85Å; T278-A282 WeakPolarHBondContact O-CB 3.1Å; T278-A282 PolarHBondContact O-N 3.41Å
279L97.3Very high97.2Very high0 Ų032.3 Ų32.30%017%0.174CC..Hα-helixtrans-55.9-36.8173177.654.3000112.5L149 M272 I283 L302 Q303 D306L149-L279 HydrophobicContact CD1-CD2 3.62Å; L149-L279 HydrophobicContact CD2-CD2 4.03Å; L149-L279 HydrophobicContact CD2-CG 4.08Å; L149-L279 HydrophobicContact CG-CD2 4.49Å; M272-L279 HydrophobicContact CE-CB 4.02Å; M272-L279 HydrophobicContact SD-CB 4.13Å; M272-L279 HydrophobicContact SD-CD1 3.83Å; L279-I283 HydrophobicContact CD1-CD1 3.87Å; L279-I283 HydrophobicContact CD1-CG1 4.15Å; L279-I283 HydrophobicContact CG-CD1 4.04Å; L279-I283 VanDerWaalsContact O-CG1 3.27Å; L279-I283 WeakPolarHBondContact O-CG1 3.36Å; L279-I283 PolarHBondContact O-N 3.38Å; L279-L302 HydrophobicContact CD1-CB 3.76Å; L279-L302 HydrophobicContact CD1-CD1 3.92Å; L279-L302 HydrophobicContact CD1-CG 4.32Å; L279-L302 HydrophobicContact CD2-CB 3.95Å; L279-Q303 HydrophobicContact CD2-CG 4Å; L279-D306 HydrophobicContact CB-CB 4.06Å; L279-D306 PolarHBondContact N-OD1 3.22Å
280V96.4Very high97.1Very high30 Ų3032.4 Ų32.418%0.18217%0.174CC..Hα-helixtrans-66.8-46.8178.3175.70000110.7Y141 P144 L152 T278 A282 I283 Q284Y141-V280 HydrophobicContact CE2-CG2 4.41Å; Y141-V280 WeakPolarHBondContact OH-CG2 3.49Å; P144-V280 HydrophobicContact CB-CG2 4.06Å; P144-V280 HydrophobicContact CG-CG2 3.82Å; L152-V280 HydrophobicContact CD2-CG1 4.24Å; T278-V280 PolarHBondContact O-N 3.45Å; T278-V280 PolarHBondContact OG1-N 2.94Å; V280-A282 VanDerWaalsContact C-N 3.34Å; V280-A282 PolarHBondContact O-N 2.98Å; V280-I283 PolarHBondContact O-N 3.2Å; V280-Q284 HydrophobicContact CG1-CG 4.48Å; V280-Q284 WeakPolarHBondContact O-CG 3.41Å; V280-Q284 PolarHBondContact O-N 2.66Å
281D96.8Very high97Very high65 Ų6533.4 Ų33.435%0.34818%0.18SC..Hα-helixtrans-64.9-40.4-179.5-54.8-38.7000111.3M277 T278 Q284 T285M277-D281 HydrophobicContact CB-CB 4.15Å; M277-D281 HydrophobicContact CG-CB 4.5Å; T278-D281 WeakPolarHBondContact CB-OD2 3.34Å; T278-D281 WeakPolarHBondContact CG2-OD2 3.34Å; T278-D281 PolarHBondContact N-OD2 3.1Å; T278-D281 PolarHBondContact O-N 3.1Å; T278-D281 PolarHBondContact OG1-N 3.01Å; T278-D281 PolarHBondContact OG1-OD2 2.85Å; D281-Q284 PolarHBondContact O-N 2.92Å; D281-T285 WeakPolarHBondContact O-CB 3.33Å; D281-T285 PolarHBondContact O-N 3.26Å; D281-T285 PolarHBondContact O-OG1 2.73Å
282A98.3Very high96.9Very high0 Ų033.5 Ų33.50%018%0.18CC..Hα-helixtrans-61.8-44.9175.800000111.2L268 L271 M272 M277 T278 V280 T285 V286L268-A282 HydrophobicContact CD2-CB 3.83Å; L268-A282 VanDerWaalsContact CD2-O 3.28Å; L268-A282 WeakPolarHBondContact CD2-O 3.29Å; L271-A282 HydrophobicContact CB-CB 4.06Å; L271-A282 HydrophobicContact CD1-CB 4.37Å; M272-A282 HydrophobicContact CG-CB 3.95Å; M277-A282 HydrophobicContact CB-CB 4.21Å; T278-A282 WeakPolarHBondContact O-CB 3.1Å; T278-A282 PolarHBondContact O-N 3.41Å; V280-A282 VanDerWaalsContact C-N 3.34Å; V280-A282 PolarHBondContact O-N 2.98Å; A282-T285 PolarHBondContact O-N 2.94Å; A282-V286 WeakPolarHBondContact O-CG2 3.4Å; A282-V286 PolarHBondContact O-N 3.17Å; A282-V286 VanDerWaalsContact O-N 3.1Å
283I97.7Very high96.8Very high0 Ų034.9 Ų34.90%019%0.19CC..Hα-helixtrans-60.9-47.9176.6-73.2167.4000110.6L149 L152 L153 L268 L279 V280 T285 V286 Q287L149-I283 HydrophobicContact CD2-CD1 3.7Å; L152-I283 HydrophobicContact CD2-CB 4.18Å; L152-I283 HydrophobicContact CD2-CG2 3.65Å; L152-I283 HydrophobicContact CG-CG2 4.03Å; L153-I283 HydrophobicContact CD2-CG2 3.63Å; L153-I283 HydrophobicContact CG-CG2 4.41Å; L268-I283 HydrophobicContact CD1-CG1 3.94Å; L268-I283 HydrophobicContact CD2-CB 4.47Å; L268-I283 HydrophobicContact CD2-CG1 3.95Å; L279-I283 HydrophobicContact CD1-CD1 3.87Å; L279-I283 HydrophobicContact CD1-CG1 4.15Å; L279-I283 HydrophobicContact CG-CD1 4.04Å; L279-I283 VanDerWaalsContact O-CG1 3.27Å; L279-I283 WeakPolarHBondContact O-CG1 3.36Å; L279-I283 PolarHBondContact O-N 3.38Å; V280-I283 PolarHBondContact O-N 3.2Å; I283-T285 VanDerWaalsContact C-N 3.34Å; I283-T285 PolarHBondContact O-N 3.42Å; I283-V286 PolarHBondContact O-N 3.24Å; I283-Q287 HydrophobicContact CG2-CG 4.04Å; I283-Q287 VanDerWaalsContact O-CB 3.23Å; I283-Q287 WeakPolarHBondContact O-CB 3.33Å; I283-Q287 VanDerWaalsContact O-CG 3.32Å; I283-Q287 WeakPolarHBondContact O-CG 3.44Å; I283-Q287 PolarHBondContact O-N 2.89Å
284Q96.4Very high96.8Very high79 Ų7933.4 Ų33.437%0.36918%0.182SC..Hα-helixtrans-62.6-41.7-179.3-71.4178.6-4.900112.2L152 V280 D281 A288L152-Q284 HydrophobicContact CD1-CG 4.48Å; L152-Q284 HydrophobicContact CD2-CG 4.41Å; V280-Q284 HydrophobicContact CG1-CG 4.48Å; V280-Q284 WeakPolarHBondContact O-CG 3.41Å; V280-Q284 PolarHBondContact O-N 2.66Å; D281-Q284 PolarHBondContact O-N 2.92Å; Q284-A288 WeakPolarHBondContact O-CB 3.49Å; Q284-A288 PolarHBondContact O-N 3.35Å
285T97.9Very high96.8Very high35 Ų3531.7 Ų31.722%0.21518%0.176CC..Hα-helixtrans-57.6-50.1176.6-61.10000111.6W168 L271 M277 D281 A282 I283 H289W168-T285 HydrophobicContact CE3-CG2 3.76Å; W168-T285 HydrophobicContact CZ3-CG2 4.06Å; L271-T285 HydrophobicContact CD1-CG2 4.13Å; M277-T285 HydrophobicContact CE-CG2 4.34Å; D281-T285 WeakPolarHBondContact O-CB 3.33Å; D281-T285 PolarHBondContact O-N 3.26Å; D281-T285 PolarHBondContact O-OG1 2.73Å; A282-T285 PolarHBondContact O-N 2.94Å; I283-T285 VanDerWaalsContact C-N 3.34Å; I283-T285 PolarHBondContact O-N 3.42Å; T285-H289 PolarHBondContact O-ND1 2.96Å
286V98Very high96.8Very high0 Ų031.6 Ų31.60%018%0.182CC..Hα-helixtrans-72.3-43.3-178.3178.70000111.2V167 L173 V267 L268 L271 A282 I283 A288 H289 R290 I292V167-V286 HydrophobicContact CB-CG1 4.15Å; V167-V286 HydrophobicContact CB-CG2 4.49Å; V167-V286 HydrophobicContact CG1-CG1 4.09Å; L173-V286 HydrophobicContact CD2-CG1 3.86Å; V267-V286 HydrophobicContact CG1-CG2 3.89Å; L268-V286 HydrophobicContact CD2-CB 4.29Å; L268-V286 HydrophobicContact CD2-CG2 3.89Å; L271-V286 HydrophobicContact CD1-CG2 3.65Å; A282-V286 WeakPolarHBondContact O-CG2 3.4Å; A282-V286 PolarHBondContact O-N 3.17Å; A282-V286 VanDerWaalsContact O-N 3.1Å; I283-V286 PolarHBondContact O-N 3.24Å; V286-A288 PolarHBondContact O-N 3.48Å; V286-H289 PolarHBondContact O-N 2.76Å; V286-R290 PolarHBondContact O-N 3.01Å; V286-I292 HydrophobicContact CB-CD1 3.98Å; V286-I292 HydrophobicContact CG1-CD1 3.81Å; V286-I292 HydrophobicContact CG1-CG1 4.19Å; V286-I292 HydrophobicContact CG1-CG2 3.7Å
287Q95Very high97Very high13 Ų1327.7 Ų27.76%0.06116%0.163CC..Hα-helixtrans-64.4-24.6-179.6-78.2-160.7-49.800114.4L152 L153 I283 H289 R290 I292L152-Q287 PolarHBondContact O-OE1 3.05Å; L153-Q287 VanDerWaalsContact CA-NE2 3.33Å; L153-Q287 HydrophobicContact CD2-CG 4.38Å; L153-Q287 PolarHBondContact O-NE2 3.43Å; I283-Q287 HydrophobicContact CG2-CG 4.04Å; I283-Q287 VanDerWaalsContact O-CB 3.23Å; I283-Q287 WeakPolarHBondContact O-CB 3.33Å; I283-Q287 VanDerWaalsContact O-CG 3.32Å; I283-Q287 WeakPolarHBondContact O-CG 3.44Å; I283-Q287 PolarHBondContact O-N 2.89Å; Q287-H289 PolarHBondContact O-N 2.95Å; Q287-R290 WeakPolarHBondContact CA-O 3.45Å; Q287-I292 HydrophobicContact CG-CD1 4.15Å; Q287-I292 HydrophobicContact CG-CG1 3.49Å; Q287-I292 VanDerWaalsContact CG-CG1 3.49Å
288A94.8Very high97.1Very high75 Ų7526.5 Ų26.562%0.6216%0.157SC*.THydrogen-bonded Turntrans-62.2-22.6173.200000112.7Q284 V286Q284-A288 WeakPolarHBondContact O-CB 3.49Å; Q284-A288 PolarHBondContact O-N 3.35Å; V286-A288 PolarHBondContact O-N 3.48Å
289H95.9Very high97.1Very high98 Ų9826.1 Ų26.145%0.45416%0.155SC..THydrogen-bonded Turntrans-117.1-24.6-174.1-57.591.7000113.2N165 E166 V167 T285 V286 Q287N165-H289 WeakPolarHBondContact CB-O 3.4Å; N165-H289 VanDerWaalsContact CG-O 3.24Å; N165-H289 PolarHBondContact ND2-O 2.98Å; N165-H289 VanDerWaalsContact ND2-O 3.1Å; E166-H289 WeakPolarHBondContact O-CB 3.33Å; V167-H289 HydrophobicContact CB-CB 4.37Å; V167-H289 HydrophobicContact CG1-CB 4.03Å; T285-H289 PolarHBondContact O-ND1 2.96Å; V286-H289 PolarHBondContact O-N 2.76Å; Q287-H289 PolarHBondContact O-N 2.95Å
290R95.9Very high97.2Very high2 Ų233.2 Ų33.21%0.00818%0.182CC..SBendtrans-155.1131.4-179.4-174.6177.2-179.877.32.2111.8L161 T162 N165 V167 M258 G259 V286 Q287 I292L161-R290 HydrophobicContact CD1-CG 3.74Å; T162-R290 PolarHBondContact O-NH1 3.12Å; N165-R290 HydrophobicContact CB-CB 3.99Å; N165-R290 PolarHBondContact OD1-NH1 2.91Å; V167-R290 HydrophobicContact CG1-CB 3.96Å; M258-R290 PolarHBondContact O-NH2 3.48Å; G259-R290 PolarHBondContact O-NE 2.71Å; V286-R290 PolarHBondContact O-N 3.01Å; Q287-R290 WeakPolarHBondContact CA-O 3.45Å; R290-I292 PolarHBondContact O-N 3.49Å; R290-I292 VanDerWaalsContact O-N 3.12Å
291D95.9Very high97.3Very high21 Ų2133.3 Ų33.311%0.11218%0.18CC..  trans-61.5117.6169.9-74.5-4.5000111.1R157 T158 L161R157-D291 WeakPolarHBondContact CA-OD1 3.21Å; R157-D291 WeakPolarHBondContact CA-OD2 3.49Å; R157-D291 VanDerWaalsContact CB-OD2 3.3Å; R157-D291 WeakPolarHBondContact CB-OD2 3.41Å; T158-D291 VanDerWaalsContact N-CG 3.29Å; T158-D291 PolarHBondContact N-OD1 2.72Å; T158-D291 PolarHBondContact N-OD2 3.18Å; T158-D291 PolarHBondContact OG1-OD1 3.05Å; T158-D291 PolarHBondContact OG1-OD2 2.87Å; L161-D291 HydrophobicContact CD1-CB 4.21Å
292I97.1Very high97.4Very high2 Ų230.2 Ų30.21%0.0116%0.164CC..  trans-119.4152.6175.656.2158.4000110.4L153 L173 A264 L268 V286 Q287 R290L153-I292 HydrophobicContact CD2-CD1 4.35Å; L153-I292 HydrophobicContact CD2-CG1 4.13Å; L153-I292 WeakPolarHBondContact CD2-O 3.31Å; L173-I292 HydrophobicContact CD2-CG2 3.6Å; A264-I292 HydrophobicContact CB-CB 3.79Å; A264-I292 HydrophobicContact CB-CD1 4.4Å; A264-I292 HydrophobicContact CB-CG2 3.53Å; L268-I292 HydrophobicContact CD1-CD1 3.92Å; L268-I292 HydrophobicContact CD2-CD1 3.99Å; L268-I292 HydrophobicContact CG-CD1 4.2Å; V286-I292 HydrophobicContact CB-CD1 3.98Å; V286-I292 HydrophobicContact CG1-CD1 3.81Å; V286-I292 HydrophobicContact CG1-CG1 4.19Å; V286-I292 HydrophobicContact CG1-CG2 3.7Å; Q287-I292 HydrophobicContact CG-CD1 4.15Å; Q287-I292 HydrophobicContact CG-CG1 3.49Å; Q287-I292 VanDerWaalsContact CG-CG1 3.49Å; R290-I292 PolarHBondContact O-N 3.49Å; R290-I292 VanDerWaalsContact O-N 3.12Å
293C97.1Very high97.3Very high34 Ų3430.7 Ų30.723%0.2317%0.166CC..  trans-157.474.4177.6-1690000109.4V260V260-C293 HydrophobicContact CG1-CB 3.72Å; V260-C293 VanDerWaalsContact CG1-N 3.3Å; V260-C293 CarbonylContact O-C 3.42Å; V260-C293 PolarHBondContact O-N 3.4Å
294P98.3Very high97.3Very high3 Ų334.9 Ų34.92%0.01919%0.191CC..  trans-51.6144.5169.1-25.835.8000111.8A264 T265 L268 F298 L299A264-P294 HydrophobicContact CB-CG 4.41Å; T265-P294 WeakPolarHBondContact OG1-CB 3.24Å; L268-P294 HydrophobicContact CD1-CG 3.98Å; P294-F298 HydrophobicContact CB-CB 4.13Å; P294-L299 HydrophobicContact CB-CD2 3.86Å; P294-L299 HydrophobicContact CB-CG 4.06Å; P294-L299 HydrophobicContact CG-CD2 4.14Å
295N98.2Very high97.3Very high28 Ų2831.4 Ų31.415%0.1518%0.175CC..  trans-64.5164.7174.474.754.2000111.3D224 N225 P226 S261 G297 F298 L299D224-N295 PolarHBondContact OD1-ND2 3.47Å; N225-N295 PolarHBondContact O-ND2 3.48Å; P226-N295 WeakPolarHBondContact CA-OD1 3.38Å; S261-N295 PolarHBondContact OG-N 2.99Å; N295-G297 VanDerWaalsContact C-N 3.28Å; N295-G297 PolarHBondContact O-N 3.13Å; N295-G297 WeakPolarHBondContact OD1-CA 3.43Å; N295-G297 PolarHBondContact OD1-N 3.22Å; N295-F298 WeakPolarHBondContact ND2-CD2 3.43Å; N295-F298 WeakPolarHBondContact ND2-CE2 3.32Å; N295-F298 WeakPolarHBondContact ND2-CZ 3.36Å; N295-F298 PolarHBondContact O-N 3.01Å; N295-F298 PolarHBondContact OD1-N 3.08Å; N295-L299 WeakPolarHBondContact O-CG 3.38Å; N295-L299 PolarHBondContact O-N 2.89Å
296S97.6Very high97.3Very high51 Ų5129.8 Ų29.836%0.35717%0.165SC..Hα-helixtrans-60.5-34.4-175.950.50000113.9R300S296-R300 WeakPolarHBondContact O-CB 3.46Å; S296-R300 PolarHBondContact O-N 2.79Å
297G98.3Very high97.1Very high11 Ų1132.7 Ų32.711%0.11318%0.181CC..Hα-helixtrans-66.6-44.6176.200000112.2P226 N295 R300 Q301P226-G297 WeakPolarHBondContact O-CA 3.45Å; N295-G297 VanDerWaalsContact C-N 3.28Å; N295-G297 PolarHBondContact O-N 3.13Å; N295-G297 WeakPolarHBondContact OD1-CA 3.43Å; N295-G297 PolarHBondContact OD1-N 3.22Å; G297-R300 WeakPolarHBondContact O-CB 3.5Å; G297-R300 PolarHBondContact O-N 3.21Å; G297-R300 VanDerWaalsContact O-N 3.15Å; G297-Q301 WeakPolarHBondContact O-CG 3.47Å; G297-Q301 PolarHBondContact O-N 3.43Å
298F98.7Very high97.1Very high0 Ų037 Ų370%020%0.196CC..Hα-helixtrans-65.9-40.4175.9-65.9-12.4000112.4D223 F228 L230 R262 T265 P294 N295 R300 Q301 L302D223-F298 WeakPolarHBondContact O-CZ 3.23Å; F228-F298 HydrophobicContact CB-CE1 4.31Å; F228-F298 HydrophobicContact CD1-CE1 4.3Å; F228-F298 WeakPolarHBondContact O-CE1 3.28Å; L230-F298 HydrophobicContact CB-CD1 3.93Å; L230-F298 HydrophobicContact CB-CE1 3.65Å; L230-F298 HydrophobicContact CB-CZ 4.22Å; L230-F298 HydrophobicContact CD2-CD1 4.27Å; L230-F298 HydrophobicContact CD2-CD2 4.16Å; L230-F298 HydrophobicContact CD2-CE1 4.07Å; L230-F298 HydrophobicContact CD2-CE2 3.96Å; L230-F298 HydrophobicContact CD2-CG 4.33Å; L230-F298 HydrophobicContact CD2-CZ 3.91Å; L230-F298 HydrophobicContact CG-CE1 4.5Å; R262-F298 HydrophobicContact CB-CE2 4.31Å; R262-F298 HydrophobicContact CG-CE2 3.53Å; R262-F298 HydrophobicContact CG-CZ 3.93Å; T265-F298 HydrophobicContact CG2-CB 3.78Å; T265-F298 HydrophobicContact CG2-CG 4.19Å; T265-F298 WeakPolarHBondContact OG1-CB 3.49Å; T265-F298 WeakPolarHBondContact OG1-CD2 3.43Å; P294-F298 HydrophobicContact CB-CB 4.13Å; N295-F298 WeakPolarHBondContact ND2-CD2 3.43Å; N295-F298 WeakPolarHBondContact ND2-CE2 3.32Å; N295-F298 WeakPolarHBondContact ND2-CZ 3.36Å; N295-F298 PolarHBondContact O-N 3.01Å; N295-F298 PolarHBondContact OD1-N 3.08Å; F298-R300 VanDerWaalsContact C-N 3.26Å; F298-R300 PolarHBondContact O-N 3.2Å; F298-Q301 PolarHBondContact O-N 3.35Å; F298-L302 WeakPolarHBondContact O-CG 3.27Å; F298-L302 PolarHBondContact O-N 2.8Å
299L98.3Very high97.1Very high2 Ų234.2 Ų34.21%0.0117%0.171CC..Hα-helixtrans-59.8-39.2171.6-67.9176.5000111.5L146 L149 Q150 L153 P294 N295 L302 Q303L146-L299 HydrophobicContact CD1-CB 3.52Å; L146-L299 HydrophobicContact CD1-CD1 3.92Å; L146-L299 HydrophobicContact CD1-CG 4.38Å; L149-L299 HydrophobicContact CB-CD1 4.47Å; Q150-L299 HydrophobicContact CG-CD1 4.06Å; L153-L299 HydrophobicContact CD1-CD1 3.8Å; L153-L299 HydrophobicContact CD1-CD2 3.85Å; L153-L299 HydrophobicContact CD1-CG 4.42Å; P294-L299 HydrophobicContact CB-CD2 3.86Å; P294-L299 HydrophobicContact CB-CG 4.06Å; P294-L299 HydrophobicContact CG-CD2 4.14Å; N295-L299 WeakPolarHBondContact O-CG 3.38Å; N295-L299 PolarHBondContact O-N 2.89Å; L299-L302 PolarHBondContact O-N 3.11Å; L299-Q303 WeakPolarHBondContact O-CG 3.34Å; L299-Q303 PolarHBondContact O-N 3.36Å
300R97.9Very high96.7Very high149 Ų14931 Ų3156%0.56216%0.155SC*.Hα-helixtrans-65.7-41.9175.8-175.957.1176.2-178.41.4112.1S296 G297 F298 L302 Q303 V304S296-R300 WeakPolarHBondContact O-CB 3.46Å; S296-R300 PolarHBondContact O-N 2.79Å; G297-R300 WeakPolarHBondContact O-CB 3.5Å; G297-R300 PolarHBondContact O-N 3.21Å; G297-R300 VanDerWaalsContact O-N 3.15Å; F298-R300 VanDerWaalsContact C-N 3.26Å; F298-R300 PolarHBondContact O-N 3.2Å; R300-L302 VanDerWaalsContact C-N 3.34Å; R300-Q303 VanDerWaalsContact CD-OE1 3.25Å; R300-Q303 VanDerWaalsContact NH1-OE1 3.17Å; R300-Q303 WeakPolarHBondContact O-CB 3.41Å; R300-Q303 PolarHBondContact O-N 3.34Å; R300-V304 WeakPolarHBondContact O-CG2 3.48Å; R300-V304 PolarHBondContact O-N 3.43Å
301Q98.6Very high96.3Very high31 Ų3140.1 Ų40.115%0.14519%0.19CC..Hα-helixtrans-62.4-41.3175-71.1168.22800111.5F228 F234 G297 F298 V304 L305F228-Q301 PolarHBondContact O-NE2 2.81Å; F234-Q301 HydrophobicContact CE2-CB 4.09Å; F234-Q301 HydrophobicContact CZ-CB 3.98Å; G297-Q301 WeakPolarHBondContact O-CG 3.47Å; G297-Q301 PolarHBondContact O-N 3.43Å; F298-Q301 PolarHBondContact O-N 3.35Å; Q301-V304 WeakPolarHBondContact O-CB 3.35Å; Q301-V304 PolarHBondContact O-N 3.45Å; Q301-L305 PolarHBondContact O-N 3.24Å
302L98.5Very high95.9Very high0 Ų045.1 Ų45.10%021%0.212CC..Hα-helixtrans-65.2-37.2173.8-72.4171.5000112.6F234 T265 L268 A269 M272 L279 F298 L299 R300 V304 L305 D306F234-L302 HydrophobicContact CE2-CD2 4.03Å; F234-L302 HydrophobicContact CE2-CG 4.49Å; F234-L302 HydrophobicContact CZ-CD2 3.99Å; F234-L302 HydrophobicContact CZ-CG 4.26Å; T265-L302 HydrophobicContact CG2-CD1 3.86Å; T265-L302 HydrophobicContact CG2-CD2 4.18Å; T265-L302 HydrophobicContact CG2-CG 3.91Å; L268-L302 HydrophobicContact CB-CD1 4.06Å; L268-L302 HydrophobicContact CB-CD2 4.23Å; L268-L302 HydrophobicContact CD1-CD1 3.69Å; A269-L302 HydrophobicContact CB-CD2 3.95Å; M272-L302 HydrophobicContact SD-CD2 3.98Å; L279-L302 HydrophobicContact CD1-CB 3.76Å; L279-L302 HydrophobicContact CD1-CD1 3.92Å; L279-L302 HydrophobicContact CD1-CG 4.32Å; L279-L302 HydrophobicContact CD2-CB 3.95Å; F298-L302 WeakPolarHBondContact O-CG 3.27Å; F298-L302 PolarHBondContact O-N 2.8Å; L299-L302 PolarHBondContact O-N 3.11Å; R300-L302 VanDerWaalsContact C-N 3.34Å; L302-V304 VanDerWaalsContact C-N 3.31Å; L302-V304 PolarHBondContact O-N 2.94Å; L302-L305 HydrophobicContact CD2-CD2 4.37Å; L302-L305 WeakPolarHBondContact O-CB 3.49Å; L302-L305 PolarHBondContact O-N 3.45Å; L302-D306 WeakPolarHBondContact O-CB 3.44Å; L302-D306 PolarHBondContact O-N 3.05Å
303Q97.1Very high95.2Very high10 Ų1048.3 Ų48.35%0.04723%0.232CC..Hα-helixtrans-61.7-39.7172.5-75.7177.5-38.900112P144 L146 L149 L279 L299 R300 L305 D306 N307P144-Q303 PolarHBondContact O-NE2 3Å; L146-Q303 VanDerWaalsContact N-NE2 3.19Å; L149-Q303 HydrophobicContact CD1-CG 3.7Å; L279-Q303 HydrophobicContact CD2-CG 4Å; L299-Q303 WeakPolarHBondContact O-CG 3.34Å; L299-Q303 PolarHBondContact O-N 3.36Å; R300-Q303 VanDerWaalsContact CD-OE1 3.25Å; R300-Q303 VanDerWaalsContact NH1-OE1 3.17Å; R300-Q303 WeakPolarHBondContact O-CB 3.41Å; R300-Q303 PolarHBondContact O-N 3.34Å; Q303-L305 VanDerWaalsContact C-N 3.33Å; Q303-D306 PolarHBondContact O-N 3.42Å; Q303-N307 PolarHBondContact O-N 3.49Å; Q303-N307 PolarHBondContact O-ND2 3.24Å
304V97.3Very high93.7Very high88 Ų8849.3 Ų49.353%0.53325%0.248SC..Hα-helixtrans-63.2-43.1175.6172.90000110.2R300 Q301 L302 R308R300-V304 WeakPolarHBondContact O-CG2 3.48Å; R300-V304 PolarHBondContact O-N 3.43Å; Q301-V304 WeakPolarHBondContact O-CB 3.35Å; Q301-V304 PolarHBondContact O-N 3.45Å; L302-V304 VanDerWaalsContact C-N 3.31Å; L302-V304 PolarHBondContact O-N 2.94Å; V304-R308 PolarHBondContact O-N 3.37Å; V304-R308 VanDerWaalsContact O-N 3.08Å
305L97.7Very high91.9Very high7 Ų752.9 Ų52.94%0.03726%0.261CS..Hα-helixtrans-59.8-48.3174.2178.365.4000111.9F234 A269 M272 I273 Q301 L302 Q303 N307 R308 L309F234-L305 HydrophobicContact CD2-CB 4.38Å; F234-L305 HydrophobicContact CD2-CD2 3.85Å; F234-L305 HydrophobicContact CE2-CB 4.46Å; F234-L305 HydrophobicContact CE2-CD2 4.33Å; A269-L305 HydrophobicContact CB-CD2 3.82Å; M272-L305 HydrophobicContact CB-CD2 4.36Å; M272-L305 HydrophobicContact CE-CB 4.15Å; M272-L305 HydrophobicContact CE-CD2 3.9Å; M272-L305 HydrophobicContact CE-CG 3.89Å; M272-L305 HydrophobicContact SD-CD2 4.14Å; I273-L305 HydrophobicContact CD1-CD1 4.32Å; I273-L305 HydrophobicContact CD1-CD2 4.23Å; I273-L305 HydrophobicContact CG1-CD1 4.14Å; I273-L305 HydrophobicContact CG1-CD2 4.17Å; Q301-L305 PolarHBondContact O-N 3.24Å; L302-L305 HydrophobicContact CD2-CD2 4.37Å; L302-L305 WeakPolarHBondContact O-CB 3.49Å; L302-L305 PolarHBondContact O-N 3.45Å; Q303-L305 VanDerWaalsContact C-N 3.33Å; L305-N307 PolarHBondContact O-N 3.02Å; L305-R308 VanDerWaalsContact CD1-NH2 3.31Å; L305-R308 WeakPolarHBondContact O-CB 3.37Å; L305-R308 PolarHBondContact O-N 2.88Å; L305-R308 VanDerWaalsContact O-N 3.1Å; L305-L309 HydrophobicContact CD1-CD1 3.9Å; L305-L309 HydrophobicContact CD1-CD2 4.46Å; L305-L309 HydrophobicContact CD1-CG 3.97Å; L305-L309 HydrophobicContact CD2-CD1 4.38Å; L305-L309 HydrophobicContact CG-CD1 3.81Å; L305-L309 HydrophobicContact CG-CG 4.26Å; L305-L309 WeakPolarHBondContact O-CG 3.3Å; L305-L309 PolarHBondContact O-N 3.08Å
306D96.4Very high89.6Confident1 Ų161.2 Ų61.21%0.00531%0.305CS..Hα-helixtrans-57.2-48.3179.9-169.965.4000111.4Y141 M272 L279 L302 Q303 R308 L309 R310Y141-D306 WeakPolarHBondContact CE1-OD2 3.43Å; M272-D306 HydrophobicContact CE-CB 3.56Å; L279-D306 HydrophobicContact CB-CB 4.06Å; L279-D306 PolarHBondContact N-OD1 3.22Å; L302-D306 WeakPolarHBondContact O-CB 3.44Å; L302-D306 PolarHBondContact O-N 3.05Å; Q303-D306 PolarHBondContact O-N 3.42Å; D306-R308 VanDerWaalsContact C-N 3.29Å; D306-R308 PolarHBondContact O-N 3.43Å; D306-L309 PolarHBondContact O-N 2.99Å; D306-R310 WeakPolarHBondContact O-CB 3.29Å; D306-R310 WeakPolarHBondContact O-CG 3.45Å; D306-R310 PolarHBondContact O-N 3.23Å
307N93.8Very high89.2Confident61 Ų6161.8 Ų61.833%0.32630%0.302SS..Hα-helixtrans-62.6-34176.8-71.1-40.7000113P143 Q303 L305 R311P143-N307 WeakPolarHBondContact CB-OD1 3.34Å; P143-N307 WeakPolarHBondContact CG-OD1 3.36Å; Q303-N307 PolarHBondContact O-N 3.49Å; Q303-N307 PolarHBondContact O-ND2 3.24Å; L305-N307 PolarHBondContact O-N 3.02Å; N307-R311 WeakPolarHBondContact O-CG 3.27Å; N307-R311 PolarHBondContact O-NE 3.33Å
308R95.1Very high88.7Confident102 Ų10264.4 Ų64.439%0.38531%0.312SS..Hα-helixtrans-68.8-54.5175.2-170.7-174.273.7-158.6-1.4110.8V304 L305 D306 R310 R311 E312V304-R308 PolarHBondContact O-N 3.37Å; V304-R308 VanDerWaalsContact O-N 3.08Å; L305-R308 VanDerWaalsContact CD1-NH2 3.31Å; L305-R308 WeakPolarHBondContact O-CB 3.37Å; L305-R308 PolarHBondContact O-N 2.88Å; L305-R308 VanDerWaalsContact O-N 3.1Å; D306-R308 VanDerWaalsContact C-N 3.29Å; D306-R308 PolarHBondContact O-N 3.43Å; R308-R310 PolarHBondContact O-N 3.33Å; R308-R311 WeakPolarHBondContact O-CB 3.33Å; R308-R311 PolarHBondContact O-N 2.86Å; R308-E312 WeakPolarHBondContact CD-OE1 3.48Å; R308-E312 VanDerWaalsContact CG-OE1 3.28Å; R308-E312 WeakPolarHBondContact CG-OE1 3.23Å; R308-E312 IonicContact NE-OE1 3.9Å; R308-E312 PolarHBondContact NE-OE1 3.26Å; R308-E312 IonicContact NE-OE2 3.3Å; R308-E312 PolarHBondContact O-N 3.37Å
309L94.4Very high88.2Confident17 Ų1768 Ų689%0.08933%0.329CS..Hα-helixtrans-59.9-35.5-177.6-68.5173.8000112.1M272 I273 L305 D306 R311 E312 T313M272-L309 HydrophobicContact CB-CD1 3.75Å; M272-L309 HydrophobicContact CE-CD1 4.42Å; I273-L309 HydrophobicContact CG1-CD1 4.15Å; I273-L309 HydrophobicContact CG1-CD2 4.47Å; L305-L309 HydrophobicContact CD1-CD1 3.9Å; L305-L309 HydrophobicContact CD1-CD2 4.46Å; L305-L309 HydrophobicContact CD1-CG 3.97Å; L305-L309 HydrophobicContact CD2-CD1 4.38Å; L305-L309 HydrophobicContact CG-CD1 3.81Å; L305-L309 HydrophobicContact CG-CG 4.26Å; L305-L309 WeakPolarHBondContact O-CG 3.3Å; L305-L309 PolarHBondContact O-N 3.08Å; D306-L309 PolarHBondContact O-N 2.99Å; L309-R311 VanDerWaalsContact C-N 3.32Å; L309-R311 PolarHBondContact O-N 3.35Å; L309-E312 PolarHBondContact O-N 3.11Å; L309-T313 WeakPolarHBondContact O-CB 3.35Å; L309-T313 WeakPolarHBondContact O-CG2 3.43Å; L309-T313 PolarHBondContact O-N 3Å; L309-T313 PolarHBondContact O-OG1 3.04Å
310R88Confident87.6Confident31 Ų3171.9 Ų71.912%0.11735%0.348CS..Hα-helixtrans-59.9-39.6174.2-77.8178.460.9170.64.3113.8Y141 D306 R308 G314 R315Y141-R310 VanDerWaalsContact CD1-NH1 3.29Å; Y141-R310 PolarHBondContact O-NH1 3.4Å; Y141-R310 PolarHBondContact O-NH2 3.3Å; D306-R310 WeakPolarHBondContact O-CB 3.29Å; D306-R310 WeakPolarHBondContact O-CG 3.45Å; D306-R310 PolarHBondContact O-N 3.23Å; R308-R310 PolarHBondContact O-N 3.33Å; R310-G314 PolarHBondContact O-N 3.46Å; R310-R315 PolarHBondContact O-N 3.38Å
311R88.6Confident86.9Confident194 Ų19467.1 Ų67.173%0.73234%0.335SS*.Hα-helixtrans-70.3-36.7177.5-70-177.9-69.5-179.83111.2N307 R308 L309N307-R311 WeakPolarHBondContact O-CG 3.27Å; N307-R311 PolarHBondContact O-NE 3.33Å; R308-R311 WeakPolarHBondContact O-CB 3.33Å; R308-R311 PolarHBondContact O-N 2.86Å; L309-R311 VanDerWaalsContact C-N 3.32Å; L309-R311 PolarHBondContact O-N 3.35Å
312E87.4Confident86.2Confident125 Ų12569.5 Ų69.558%0.58435%0.348SS*.Hα-helixtrans-75-36.3-179.4-67.8168.1178.900112.9R308 L309R308-E312 WeakPolarHBondContact CD-OE1 3.48Å; R308-E312 VanDerWaalsContact CG-OE1 3.28Å; R308-E312 WeakPolarHBondContact CG-OE1 3.23Å; R308-E312 IonicContact NE-OE1 3.9Å; R308-E312 PolarHBondContact NE-OE1 3.26Å; R308-E312 IonicContact NE-OE2 3.3Å; R308-E312 PolarHBondContact O-N 3.37Å; L309-E312 PolarHBondContact O-N 3.11Å
313T81.6Confident85.3Confident69 Ų6974.4 Ų74.442%0.42337%0.372SS..THydrogen-bonded Turntrans-92.30.3-174.954.80000114.5L309 R315L309-T313 WeakPolarHBondContact O-CB 3.35Å; L309-T313 WeakPolarHBondContact O-CG2 3.43Å; L309-T313 PolarHBondContact O-N 3Å; L309-T313 PolarHBondContact O-OG1 3.04Å; T313-R315 VanDerWaalsContact C-N 3.34Å; T313-R315 PolarHBondContact O-N 3.39Å
314G65.9Low84.4Confident56 Ų5679.4 Ų79.458%0.57740%0.397SS*.THydrogen-bonded Turntrans63.734.4177.900000114R310 L316R310-G314 PolarHBondContact O-N 3.46Å; G314-L316 PolarHBondContact O-N 3.39Å
315R61.4Low83.3Confident78 Ų7878.7 Ų78.729%0.29439%0.386SS..  trans-72.340.6175.9-76.3177.5159.9175.9-9.4113.5N276 M277 R310 T313N276-R315 PolarHBondContact O-NH2 3.44Å; N276-R315 PolarHBondContact OD1-NH2 2.99Å; M277-R315 PolarHBondContact O-NH1 3.28Å; R310-R315 PolarHBondContact O-N 3.38Å; T313-R315 VanDerWaalsContact C-N 3.34Å; T313-R315 PolarHBondContact O-N 3.39Å
316L49.2Very low82Confident203 Ų20385.2 Ų85.2100%1.06342%0.418SS*.  trans-128.80175.7-70.4174.9000109.9G314G314-L316 PolarHBondContact O-N 3.39Å

Retrieved 316 of 316 residues in 150.6 ms (Link to these results)