C4QKQ4_SCHMA Loading...

Large ribosomal subunit protein uL3m

AlphaFold DB , UniProt , Accession C4QKQ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 394 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
1M34.3Very low32.2Very low228 Ų228161.5 Ų161.5100%1.12385%0.849SS**  092.70-116.2-173.6-93.400105.5
2F34.1Very low32.3Very low200 Ų200161.8 Ų161.888%0.87785%0.846SS**  cis-140149.834.3-90.4-101.4000112.2
3E29.1Very low32.3Very low176 Ų176158.4 Ų158.482%0.82284%0.843SS**  trans-75.5137.8170.9-77.7176.2137.500112.2
4V30.1Very low32.5Very low104 Ų104154.4 Ų154.463%0.6383%0.828SS**  73138.4102-151.50000117.5
5F31.5Very low32.4Very low205 Ų205157.1 Ų157.190%0.89983%0.829SS**  trans83.5132.1160.7-61.7-73000117
6G32.3Very low32.3Very low78 Ų78157.8 Ų157.880%0.80482%0.823SS**  cis-176.2173.67.600000110.2
7G34.7Very low32.5Very low77 Ų77157.1 Ų157.179%0.79482%0.819SS**  trans168.873.3177.700000113.4F9G7-F9 PolarHBondContact O-N 2.96Å
8S30.6Very low32.5Very low114 Ų114160.3 Ų160.380%0.79782%0.82SS**  trans-64.8120.3175.347.70000112.7
9F32.7Very low32.6Very low205 Ų205163.9 Ų163.990%0.89982%0.822SS**  trans-117.9111.3155.1-98.4-88.2000109.2G7 R11G7-F9 PolarHBondContact O-N 2.96Å; F9-R11 PolarHBondContact O-N 3.26Å
10I33Very low32.9Very low159 Ų159164.3 Ų164.382%0.81582%0.821SS**  trans-64.898172.9-63.7163.4000107.4M12I10-M12 PolarHBondContact O-N 2.84Å
11R32.5Very low33.1Very low231 Ų231161.9 Ų161.987%0.87282%0.817SS**  trans-89.894.7170.4-148.6175.9-171.2178.12.6107.3F9 S13F9-R11 PolarHBondContact O-N 3.26Å; R11-S13 PolarHBondContact O-N 3.09Å
12M33Very low33.6Very low165 Ų165156.9 Ų156.981%0.81379%0.794SS**  trans-49.3110.8165.2-83.9176.595.900107.7I10 V14I10-M12 PolarHBondContact O-N 2.84Å; M12-V14 PolarHBondContact O-N 3.26Å
13S32.3Very low33.9Very low117 Ų117158.4 Ų158.482%0.81879%0.794SS**  trans-71.385.2172.7-70.80000107.9R11 K15R11-S13 PolarHBondContact O-N 3.09Å; S13-K15 VanDerWaalsContact C-N 3.34Å; S13-K15 PolarHBondContact O-N 3.24Å
14V34.4Very low34.2Very low103 Ų103158.1 Ų158.162%0.62479%0.79SS**  trans-63.1102.6161.2179.30000105.5M12 F16M12-V14 PolarHBondContact O-N 3.26Å; V14-F16 HydrophobicContact CB-CD2 4.28Å; V14-F16 HydrophobicContact CB-CE2 4.34Å; V14-F16 HydrophobicContact CG1-CD2 3.81Å; V14-F16 HydrophobicContact CG1-CE2 3.86Å; V14-F16 PolarHBondContact O-N 3.35Å
15K32.4Very low34.5Very low195 Ų195160.2 Ų160.285%0.84880%0.795SS**  trans-6088.1162.8-84.4-178.4175.1177.50106.8S13 I17S13-K15 VanDerWaalsContact C-N 3.34Å; S13-K15 PolarHBondContact O-N 3.24Å; K15-I17 VanDerWaalsContact C-N 3.26Å; K15-I17 PolarHBondContact O-N 3.42Å
16F30.3Very low35Very low167 Ų167153.9 Ų153.973%0.73279%0.787SS**  trans-61.299.8159.3-89.3-88.2000105.9V14 Y18V14-F16 HydrophobicContact CB-CD2 4.28Å; V14-F16 HydrophobicContact CB-CE2 4.34Å; V14-F16 HydrophobicContact CG1-CD2 3.81Å; V14-F16 HydrophobicContact CG1-CE2 3.86Å; V14-F16 PolarHBondContact O-N 3.35Å; F16-Y18 PolarHBondContact O-N 3.5Å
17I35Very low35.6Very low146 Ų146156.2 Ų156.275%0.74979%0.792SS**  trans-59.1100.4159.1-62.6169.8000103.8K15 R19K15-I17 VanDerWaalsContact C-N 3.26Å; K15-I17 PolarHBondContact O-N 3.42Å; I17-R19 PolarHBondContact O-N 3.35Å
18Y32.5Very low35.9Very low215 Ų215159.8 Ų159.884%0.84379%0.792SS**  trans-56.194.9167-85.5-92.1000106.5F16 E20F16-Y18 PolarHBondContact O-N 3.5Å; Y18-E20 PolarHBondContact O-N 3.05Å; Y18-E20 VanDerWaalsContact O-N 3.11Å
19R34.8Very low36.4Very low229 Ų229161.6 Ų161.686%0.86479%0.792SS**  trans-66106.4158.1-77.9-174.7168.5-179.1-2.2104.4I17I17-R19 PolarHBondContact O-N 3.35Å
20E37.7Very low37Very low171 Ų171160.8 Ų160.880%0.79979%0.788SS**  trans-46134175.4-66.6-176.4158.200109.6Y18 I22Y18-E20 PolarHBondContact O-N 3.05Å; Y18-E20 VanDerWaalsContact O-N 3.11Å; E20-I22 PolarHBondContact O-N 3.31Å
21P38.1Very low37.9Very low114 Ų114157.5 Ų157.574%0.7478%0.776SS**  trans-62.4130.4178.825.6-32.1000109.1R23P21-R23 PolarHBondContact O-N 3.33Å
22I43.9Very low38.7Very low124 Ų124150.5 Ų150.564%0.63676%0.758SS**  trans-48.2106.2171.9-62.5162.7000107.7E20 F24E20-I22 PolarHBondContact O-N 3.31Å; I22-F24 HydrophobicContact CG2-CD2 4.07Å; I22-F24 HydrophobicContact CG2-CE2 4Å; I22-F24 PolarHBondContact O-N 3.02Å
23R40.4Very low39.6Very low232 Ų232148 Ų14888%0.87574%0.74SS**  trans-68.8104.3172.4-76.6-170.9-177.6-174.41.3107.8P21 M25P21-R23 PolarHBondContact O-N 3.33Å; R23-M25 PolarHBondContact O-N 3.32Å
24F35.8Very low40.7Very low169 Ų169147.6 Ų147.674%0.74174%0.735SS**  trans-73.5118.7165.9-89.2-91.1000108.7I22I22-F24 HydrophobicContact CG2-CD2 4.07Å; I22-F24 HydrophobicContact CG2-CE2 4Å; I22-F24 PolarHBondContact O-N 3.02Å
25M37.8Very low41.7Very low149 Ų149150.9 Ų150.973%0.73474%0.737SS**  trans-133.5119.2168.7-75.4-164.163.800110.5R23R23-M25 PolarHBondContact O-N 3.32Å
26G41.9Very low42.8Very low71 Ų71147 Ų14773%0.73272%0.723SS**SBendtrans82.1156.5162.900000116.9L28G26-L28 PolarHBondContact O-N 3.06Å
27S44.4Very low43.9Very low128 Ų128145.2 Ų145.290%0.89572%0.721SS**SBendtrans-70.711.5-166.558.40000116.7
28L40.6Very low44.9Very low152 Ų152146.6 Ų146.680%0.79672%0.722SS**SBendtrans-116.298.8173.9-68.7170.5000108.5G26 K30G26-L28 PolarHBondContact O-N 3.06Å; L28-K30 VanDerWaalsContact C-N 3.28Å; L28-K30 PolarHBondContact O-N 3.16Å
29N41Very low46Very low152 Ų152145.3 Ų145.381%0.81372%0.72SS**  trans-57.783.3176.8-75.2-22.1000111.9
30K46.3Very low47.5Very low188 Ų188140.6 Ų140.682%0.81771%0.706SS**  trans-112.1110.8164.5-127.5-179.7-172.9-179.80107.2L28 V32L28-K30 VanDerWaalsContact C-N 3.28Å; L28-K30 PolarHBondContact O-N 3.16Å; K30-V32 PolarHBondContact O-N 3.09Å
31V51.8Low48.8Very low90 Ų90135.1 Ų135.155%0.54569%0.685SS.*  trans-67.6100.7171.8178.70000107.1Y33V31-Y33 HydrophobicContact CG1-CD1 4.42Å; V31-Y33 HydrophobicContact CG1-CE1 4.18Å; V31-Y33 HydrophobicContact CG1-CE2 4.38Å; V31-Y33 PolarHBondContact O-N 2.74Å
32V47.9Very low50.4Low84 Ų84138.8 Ų138.851%0.50969%0.69SS.*  trans-82.1104.5172.4-178.20000106.9K30 M36K30-V32 PolarHBondContact O-N 3.09Å; V32-M36 HydrophobicContact CG1-CB 3.76Å
33Y53Low52Low111 Ų111141.5 Ų141.544%0.43569%0.692SS.*  trans-64.6151.3173.7-64.3-82.7000110.7V31 W35 M36V31-Y33 HydrophobicContact CG1-CD1 4.42Å; V31-Y33 HydrophobicContact CG1-CE1 4.18Å; V31-Y33 HydrophobicContact CG1-CE2 4.38Å; V31-Y33 PolarHBondContact O-N 2.74Å; Y33-W35 VanDerWaalsContact CB-CE2 3.42Å; Y33-W35 AromaticContact CD1-CH2 3.19Å; Y33-W35 HydrophobicContact CD1-CH2 3.19Å; Y33-W35 AromaticContact CD1-CZ2 3.72Å; Y33-W35 HydrophobicContact CD1-CZ2 3.72Å; Y33-W35 AromaticContact CD1-CZ3 3.75Å; Y33-W35 HydrophobicContact CD1-CZ3 3.75Å; Y33-W35 HydrophobicContact CD2-CH2 4.06Å; Y33-W35 AromaticContact CD2-CZ2 3.67Å; Y33-W35 HydrophobicContact CD2-CZ2 3.67Å; Y33-W35 AromaticContact CE1-CH2 3.92Å; Y33-W35 HydrophobicContact CE1-CH2 3.92Å; Y33-W35 HydrophobicContact CE1-CZ2 4.42Å; Y33-W35 HydrophobicContact CE2-CZ2 4.38Å; Y33-W35 HydrophobicContact CG-CD2 4.48Å; Y33-W35 AromaticContact CG-CE2 3.91Å; Y33-W35 HydrophobicContact CG-CE3 4.43Å; Y33-W35 AromaticContact CG-CH2 3.27Å; Y33-W35 HydrophobicContact CG-CH2 3.27Å; Y33-W35 AromaticContact CG-CZ2 3.28Å; Y33-W35 HydrophobicContact CG-CZ2 3.28Å; Y33-W35 AromaticContact CG-CZ3 3.88Å; Y33-W35 HydrophobicContact CG-CZ3 3.88Å; Y33-W35 PolarHBondContact O-N 3.16Å; Y33-M36 HydrophobicContact CD2-CE 4.3Å; Y33-M36 HydrophobicContact CD2-SD 4Å; Y33-M36 WeakPolarHBondContact O-CA 3.4Å; Y33-M36 WeakPolarHBondContact O-CB 3.24Å; Y33-M36 PolarHBondContact O-N 3.3Å
34P54Low53.7Low110 Ų110133 Ų13371%0.71467%0.666SS**THydrogen-bonded Turntrans-53.4-29.7-176.6-27.233.8000114.6
35W56.3Low55.3Low171 Ų171130.7 Ų130.765%0.64867%0.666SS**THydrogen-bonded Turntrans-82.2-12.5176.366.984.5000114.8Y33Y33-W35 VanDerWaalsContact CB-CE2 3.42Å; Y33-W35 AromaticContact CD1-CH2 3.19Å; Y33-W35 HydrophobicContact CD1-CH2 3.19Å; Y33-W35 AromaticContact CD1-CZ2 3.72Å; Y33-W35 HydrophobicContact CD1-CZ2 3.72Å; Y33-W35 AromaticContact CD1-CZ3 3.75Å; Y33-W35 HydrophobicContact CD1-CZ3 3.75Å; Y33-W35 HydrophobicContact CD2-CH2 4.06Å; Y33-W35 AromaticContact CD2-CZ2 3.67Å; Y33-W35 HydrophobicContact CD2-CZ2 3.67Å; Y33-W35 AromaticContact CE1-CH2 3.92Å; Y33-W35 HydrophobicContact CE1-CH2 3.92Å; Y33-W35 HydrophobicContact CE1-CZ2 4.42Å; Y33-W35 HydrophobicContact CE2-CZ2 4.38Å; Y33-W35 HydrophobicContact CG-CD2 4.48Å; Y33-W35 AromaticContact CG-CE2 3.91Å; Y33-W35 HydrophobicContact CG-CE3 4.43Å; Y33-W35 AromaticContact CG-CH2 3.27Å; Y33-W35 HydrophobicContact CG-CH2 3.27Å; Y33-W35 AromaticContact CG-CZ2 3.28Å; Y33-W35 HydrophobicContact CG-CZ2 3.28Å; Y33-W35 AromaticContact CG-CZ3 3.88Å; Y33-W35 HydrophobicContact CG-CZ3 3.88Å; Y33-W35 PolarHBondContact O-N 3.16Å
36M54.7Low56.6Low115 Ų115129.7 Ų129.757%0.56766%0.66SS**THydrogen-bonded Turntrans-83.3-18172.9-73.9-175.1164.900112.1V32 Y33 K38V32-M36 HydrophobicContact CG1-CB 3.76Å; Y33-M36 HydrophobicContact CD2-CE 4.3Å; Y33-M36 HydrophobicContact CD2-SD 4Å; Y33-M36 WeakPolarHBondContact O-CA 3.4Å; Y33-M36 WeakPolarHBondContact O-CB 3.24Å; Y33-M36 PolarHBondContact O-N 3.3Å; M36-K38 PolarHBondContact O-N 3.43Å
37N54.4Low57.6Low129 Ų129134.7 Ų134.769%0.6966%0.664SS**  trans-77.252.9170.5-152.89.5000110.5K39N37-K39 PolarHBondContact O-N 3.1Å; N37-K39 VanDerWaalsContact O-N 3.09Å
38K56Low58.5Low175 Ų175131.2 Ų131.276%0.76164%0.643SS**  trans-70.2105.7166.9-71-175.6179.7-177.50105.6M36 K40M36-K38 PolarHBondContact O-N 3.43Å; K38-K40 PolarHBondContact O-N 3.29Å
39K55.7Low59.6Low187 Ų187126.3 Ų126.381%0.81362%0.621SS**  trans-42121156.7-78.6-172174.9-173.40106N37N37-K39 PolarHBondContact O-N 3.1Å; N37-K39 VanDerWaalsContact O-N 3.09Å
40K64.9Low60.5Low131 Ų131124 Ų12457%0.5762%0.615SS**  trans-51.6137.5178.2-66.6-178.9-178.2177.60107K38 V44K38-K40 PolarHBondContact O-N 3.29Å; K40-V44 HydrophobicContact CB-CB 4.14Å; K40-V44 HydrophobicContact CB-CG1 4.19Å; K40-V44 HydrophobicContact CD-CG1 3.92Å
41P66.3Low61.3Low56 Ų56123.4 Ų123.436%0.36461%0.609SS.*  trans-56148.4-176.220.1-29.3000110.5W43 V44P41-W43 HydrophobicContact CB-CD2 3.75Å; P41-W43 VanDerWaalsContact CB-CE2 3.5Å; P41-W43 HydrophobicContact CB-CE3 3.76Å; P41-W43 HydrophobicContact CB-CH2 3.36Å; P41-W43 HydrophobicContact CB-CZ2 3.32Å; P41-W43 HydrophobicContact CB-CZ3 3.58Å; P41-W43 HydrophobicContact CG-CD2 4.21Å; P41-W43 HydrophobicContact CG-CH2 4.01Å; P41-W43 HydrophobicContact CG-CZ2 3.44Å; P41-W43 VanDerWaalsContact CG-CZ2 3.44Å; P41-W43 PolarHBondContact O-N 3.22Å; P41-V44 HydrophobicContact CG-CG2 3.84Å; P41-V44 WeakPolarHBondContact O-CB 3.32Å; P41-V44 PolarHBondContact O-N 3.23Å
42F72.4Confident61.9Low190 Ų190121.6 Ų121.683%0.83360%0.598SS**THydrogen-bonded Turntrans-57.7-21.1-166.667.8-91.5000115V44F42-V44 VanDerWaalsContact C-N 3.31Å
43W76.4Confident62.9Low182 Ų182120.7 Ų120.769%0.68959%0.59SS**THydrogen-bonded Turntrans-81.3-7.317662.482.5000113.8P41P41-W43 HydrophobicContact CB-CD2 3.75Å; P41-W43 VanDerWaalsContact CB-CE2 3.5Å; P41-W43 HydrophobicContact CB-CE3 3.76Å; P41-W43 HydrophobicContact CB-CH2 3.36Å; P41-W43 HydrophobicContact CB-CZ2 3.32Å; P41-W43 HydrophobicContact CB-CZ3 3.58Å; P41-W43 HydrophobicContact CG-CD2 4.21Å; P41-W43 HydrophobicContact CG-CH2 4.01Å; P41-W43 HydrophobicContact CG-CZ2 3.44Å; P41-W43 VanDerWaalsContact CG-CZ2 3.44Å; P41-W43 PolarHBondContact O-N 3.22Å
44V75.8Confident63.6Low54 Ų54122 Ų12233%0.32760%0.6SS.*SBendtrans-91.2108.5174.1178.70000107.5K40 P41 F42 Q46K40-V44 HydrophobicContact CB-CB 4.14Å; K40-V44 HydrophobicContact CB-CG1 4.19Å; K40-V44 HydrophobicContact CD-CG1 3.92Å; P41-V44 HydrophobicContact CG-CG2 3.84Å; P41-V44 WeakPolarHBondContact O-CB 3.32Å; P41-V44 PolarHBondContact O-N 3.23Å; F42-V44 VanDerWaalsContact C-N 3.31Å; V44-Q46 PolarHBondContact O-N 2.84Å; V44-Q46 VanDerWaalsContact O-N 3.09Å
45T70.2Confident64.6Low119 Ų119123.4 Ų123.473%0.7360%0.601SS**  trans-51.5117.6173.2-43.90000109.3E47T45-E47 PolarHBondContact O-N 3.35Å
46Q64.4Low65.8Low129 Ų129117.4 Ų117.460%0.60358%0.584SS**  trans-84.595.8175.3-64.1-178.49.700107V44 A48V44-Q46 PolarHBondContact O-N 2.84Å; V44-Q46 VanDerWaalsContact O-N 3.09Å; Q46-A48 PolarHBondContact O-N 3.45Å
47E63.9Low67.4Low175 Ų175115.1 Ų115.182%0.81858%0.576SS**PPolyproline II helixtrans-72.2116.9165.6-66.2-179.6176.500107.3T45 S49T45-E47 PolarHBondContact O-N 3.35Å; E47-S49 PolarHBondContact O-N 3.19Å
48A62.5Low69Low55 Ų55113.9 Ų113.946%0.45558%0.575SS.*PPolyproline II helixtrans-53.9127.2172.700000108.2Q46Q46-A48 PolarHBondContact O-N 3.45Å
49S62.9Low70.5Confident49 Ų49113 Ų11334%0.34357%0.574SS.*PPolyproline II helixtrans-68.8128.8176.575.90000107.9E47 Y51 V52E47-S49 PolarHBondContact O-N 3.19Å; S49-Y51 PolarHBondContact O-N 3.17Å; S49-V52 PolarHBondContact O-N 3.1Å; S49-V52 VanDerWaalsContact OG-CB 3.32Å; S49-V52 WeakPolarHBondContact OG-CB 3.21Å; S49-V52 WeakPolarHBondContact OG-CG2 3.08Å; S49-V52 PolarHBondContact OG-N 3.06Å
50P61.5Low72.2Confident105 Ų105108.1 Ų108.168%0.68256%0.557SS**THydrogen-bonded Turntrans-64.3-9.5-177.826.3-35.3000113.3
51Y63Low73.3Confident175 Ų175105.9 Ų105.969%0.68655%0.547SS*.THydrogen-bonded Turntrans-93.1-14.6179.5-60.8-69.6000113.9S49S49-Y51 PolarHBondContact O-N 3.17Å
52V64.1Low74.3Confident52 Ų52110.1 Ų110.132%0.31556%0.559SS.*SBendtrans-118.8116.4-177.3-168.50000108S49 E54S49-V52 PolarHBondContact O-N 3.1Å; S49-V52 VanDerWaalsContact OG-CB 3.32Å; S49-V52 WeakPolarHBondContact OG-CB 3.21Å; S49-V52 WeakPolarHBondContact OG-CG2 3.08Å; S49-V52 PolarHBondContact OG-N 3.06Å; V52-E54 HydrophobicContact CB-CG 3.86Å; V52-E54 HydrophobicContact CG1-CG 3.3Å; V52-E54 PolarHBondContact O-N 3.4Å
53D67.7Low75.2Confident65 Ų65106.7 Ų106.735%0.34854%0.544SS..  trans-70.552.2176-63.2-31.7000111.2D55 V56 K61D53-D55 VanDerWaalsContact C-N 3.3Å; D53-D55 PolarHBondContact O-N 2.94Å; D53-V56 HydrophobicContact CB-CB 4.12Å; D53-V56 HydrophobicContact CB-CG2 3.96Å; D53-K61 WeakPolarHBondContact OD2-CE 3.39Å; D53-K61 IonicContact OD2-NZ 3.21Å
54E68.5Low75.7Confident139 Ų139100.9 Ų100.965%0.6553%0.527SS*.THydrogen-bonded Turntrans-66.6-33.2-174.9-62-16816500112.1V52V52-E54 HydrophobicContact CB-CG 3.86Å; V52-E54 HydrophobicContact CG1-CG 3.3Å; V52-E54 PolarHBondContact O-N 3.4Å
55D75.9Confident76.1Confident138 Ų138102.3 Ų102.374%0.73853%0.53SS*.THydrogen-bonded Turntrans-98.2-0.4-174.5-59.1-37.6000113.7D53D53-D55 VanDerWaalsContact C-N 3.3Å; D53-D55 PolarHBondContact O-N 2.94Å
56V81.5Confident76.8Confident46 Ų46102.6 Ų102.628%0.27952%0.523SS..  trans-91.5117.8-175.9-170.90000109.5D53 N60 K61 L64D53-V56 HydrophobicContact CB-CB 4.12Å; D53-V56 HydrophobicContact CB-CG2 3.96Å; V56-N60 HydrophobicContact CG1-CB 3.71Å; V56-K61 HydrophobicContact CG1-CB 3.94Å; V56-L64 HydrophobicContact CG1-CD1 4.1Å
57T87.7Confident77.8Confident67 Ų67102 Ų10241%0.41152%0.52SS..  trans-59.5150.1171.763.10000110.3E59 N60 K61T57-E59 PolarHBondContact O-N 2.96Å; T57-E59 VanDerWaalsContact O-N 3.16Å; T57-N60 PolarHBondContact O-N 3.34Å; T57-N60 VanDerWaalsContact OG1-CB 3.32Å; T57-N60 WeakPolarHBondContact OG1-CB 3.43Å; T57-N60 PolarHBondContact OG1-N 2.93Å; T57-N60 PolarHBondContact OG1-ND2 2.86Å; T57-N60 PolarHBondContact OG1-OD1 2.81Å; T57-K61 PolarHBondContact O-N 3.44Å
58P87.4Confident78.5Confident102 Ų10297.1 Ų97.166%0.66249%0.494SS*.Hα-helixtrans-59.9-30.4-177.723.8-34.4000112.9K62P58-K62 PolarHBondContact O-N 3.29Å
59E88.8Confident79.2Confident156 Ų15699.5 Ų99.573%0.72950%0.499SS*.Hα-helixtrans-66.7-48.7173.5-65.4176.4-175.700111.4T57 K61 K62 F63T57-E59 PolarHBondContact O-N 2.96Å; T57-E59 VanDerWaalsContact O-N 3.16Å; E59-K61 PolarHBondContact O-N 3.29Å; E59-K62 PolarHBondContact O-N 2.98Å; E59-F63 PolarHBondContact O-N 3.47Å
60N90.1Very high79.8Confident86 Ų86101.7 Ų101.746%0.4651%0.507SS..Hα-helixtrans-63.2-33.5176.8-71.1-4.2000111.7V56 T57 F63 L64V56-N60 HydrophobicContact CG1-CB 3.71Å; T57-N60 PolarHBondContact O-N 3.34Å; T57-N60 VanDerWaalsContact OG1-CB 3.32Å; T57-N60 WeakPolarHBondContact OG1-CB 3.43Å; T57-N60 PolarHBondContact OG1-N 2.93Å; T57-N60 PolarHBondContact OG1-ND2 2.86Å; T57-N60 PolarHBondContact OG1-OD1 2.81Å; N60-F63 PolarHBondContact O-N 3.28Å; N60-L64 WeakPolarHBondContact O-CB 3.47Å; N60-L64 VanDerWaalsContact O-CG 3.24Å; N60-L64 WeakPolarHBondContact O-CG 3.43Å; N60-L64 PolarHBondContact O-N 2.86Å
61K87.2Confident80.1Confident84 Ų84100.4 Ų100.437%0.36550%0.498SS..Hα-helixtrans-62.8-49.2177.7-173.3173.8-178168.10111.5D53 V56 T57 E59 F63 L64 E65D53-K61 WeakPolarHBondContact OD2-CE 3.39Å; D53-K61 IonicContact OD2-NZ 3.21Å; V56-K61 HydrophobicContact CG1-CB 3.94Å; T57-K61 PolarHBondContact O-N 3.44Å; E59-K61 PolarHBondContact O-N 3.29Å; K61-F63 VanDerWaalsContact C-N 3.3Å; K61-F63 PolarHBondContact O-N 2.9Å; K61-L64 PolarHBondContact O-N 2.79Å; K61-E65 VanDerWaalsContact CE-OE1 3.27Å; K61-E65 WeakPolarHBondContact CE-OE1 3.16Å; K61-E65 WeakPolarHBondContact O-CG 3.49Å; K61-E65 PolarHBondContact O-N 3.42Å
62K88.5Confident80.2Confident144 Ų14495.2 Ų95.263%0.62648%0.482SS*.Hα-helixtrans-60.4-42.2175.7-71.6-178.5179.6-178.80111.5P58 E59 E65 Q66P58-K62 PolarHBondContact O-N 3.29Å; E59-K62 PolarHBondContact O-N 2.98Å; K62-E65 PolarHBondContact O-N 3.02Å; K62-Q66 WeakPolarHBondContact O-CG 3.32Å; K62-Q66 PolarHBondContact O-N 3.21Å
63F90.2Very high80Confident118 Ų11897.5 Ų97.552%0.51850%0.5SS..Hα-helixtrans-60.1-47.1176.3172.8-101.5000112E59 N60 K61 E65 Q66 Q67E59-F63 PolarHBondContact O-N 3.47Å; N60-F63 PolarHBondContact O-N 3.28Å; K61-F63 VanDerWaalsContact C-N 3.3Å; K61-F63 PolarHBondContact O-N 2.9Å; F63-E65 VanDerWaalsContact C-N 3.35Å; F63-E65 PolarHBondContact O-N 3.17Å; F63-Q66 PolarHBondContact O-N 3.05Å; F63-Q67 HydrophobicContact CE1-CG 4.38Å; F63-Q67 HydrophobicContact CZ-CG 4.12Å; F63-Q67 PolarHBondContact O-N 3.05Å
64L87Confident79.5Confident61 Ų6199 Ų9932%0.31952%0.516SS..Hα-helixtrans-65.1-37.1177.7-70.7172.5000112.3V56 N60 K61 R68V56-L64 HydrophobicContact CG1-CD1 4.1Å; N60-L64 WeakPolarHBondContact O-CB 3.47Å; N60-L64 VanDerWaalsContact O-CG 3.24Å; N60-L64 WeakPolarHBondContact O-CG 3.43Å; N60-L64 PolarHBondContact O-N 2.86Å; K61-L64 PolarHBondContact O-N 2.79Å; L64-R68 WeakPolarHBondContact O-CD 3.38Å; L64-R68 WeakPolarHBondContact O-CG 3.07Å; L64-R68 PolarHBondContact O-N 3.09Å; L64-R68 VanDerWaalsContact O-N 3.1Å
65E84.4Confident78.6Confident83 Ų8394.9 Ų94.939%0.38850%0.502SS..Hα-helixtrans-62.3-45.7173.6-75.2171.6-175.400111.4K61 K62 F63 R68 L69K61-E65 VanDerWaalsContact CE-OE1 3.27Å; K61-E65 WeakPolarHBondContact CE-OE1 3.16Å; K61-E65 WeakPolarHBondContact O-CG 3.49Å; K61-E65 PolarHBondContact O-N 3.42Å; K62-E65 PolarHBondContact O-N 3.02Å; F63-E65 VanDerWaalsContact C-N 3.35Å; F63-E65 PolarHBondContact O-N 3.17Å; E65-R68 WeakPolarHBondContact O-CB 3.46Å; E65-R68 PolarHBondContact O-N 3.14Å; E65-L69 WeakPolarHBondContact O-CG 3.33Å; E65-L69 PolarHBondContact O-N 2.77Å; E65-L69 VanDerWaalsContact O-N 3.09Å
66Q86Confident77.4Confident125 Ų12597.7 Ų97.758%0.58451%0.508SS*.Hα-helixtrans-61.1-47.2175.7-73.8176.8-16.300111.9K62 F63 R68 L69 D70K62-Q66 WeakPolarHBondContact O-CG 3.32Å; K62-Q66 PolarHBondContact O-N 3.21Å; F63-Q66 PolarHBondContact O-N 3.05Å; Q66-R68 PolarHBondContact O-N 3.15Å; Q66-R68 VanDerWaalsContact O-N 3.17Å; Q66-L69 PolarHBondContact O-N 2.8Å; Q66-D70 PolarHBondContact O-N 2.97Å
67Q84.2Confident75.8Confident116 Ų11697.4 Ų97.454%0.54251%0.508SS..Hα-helixtrans-58.3-29.6176.1-107.3-114.2-3600113.6F63 P71F63-Q67 HydrophobicContact CE1-CG 4.38Å; F63-Q67 HydrophobicContact CZ-CG 4.12Å; F63-Q67 PolarHBondContact O-N 3.05Å; Q67-P71 WeakPolarHBondContact O-CD 3.14Å
68R78.3Confident73.8Confident73 Ų7397.7 Ų97.728%0.27551%0.511SS..Hα-helixtrans-76.7-34.5174.8-69.8165.8-159.2154.96.3112.2L64 E65 Q66 P71L64-R68 WeakPolarHBondContact O-CD 3.38Å; L64-R68 WeakPolarHBondContact O-CG 3.07Å; L64-R68 PolarHBondContact O-N 3.09Å; L64-R68 VanDerWaalsContact O-N 3.1Å; E65-R68 WeakPolarHBondContact O-CB 3.46Å; E65-R68 PolarHBondContact O-N 3.14Å; Q66-R68 PolarHBondContact O-N 3.15Å; Q66-R68 VanDerWaalsContact O-N 3.17Å; R68-P71 WeakPolarHBondContact O-CD 3.01Å; R68-P71 WeakPolarHBondContact O-CG 3.31Å
69L77.2Confident72.1Confident106 Ų10696.5 Ų96.556%0.55550%0.498SS*.Hα-helixtrans-76.2-31.6178.7-68.3175000112.3E65 Q66 L72 S73E65-L69 WeakPolarHBondContact O-CG 3.33Å; E65-L69 PolarHBondContact O-N 2.77Å; E65-L69 VanDerWaalsContact O-N 3.09Å; Q66-L69 PolarHBondContact O-N 2.8Å; L69-L72 HydrophobicContact CD2-CD1 4.23Å; L69-L72 CarbonylContact O-C 3.3Å; L69-L72 WeakPolarHBondContact O-CA 3.47Å; L69-L72 WeakPolarHBondContact O-CB 3.35Å; L69-L72 PolarHBondContact O-N 2.77Å; L69-S73 WeakPolarHBondContact O-CB 3.37Å; L69-S73 PolarHBondContact O-N 3.26Å
70D76.7Confident70.3Confident95 Ų9591.5 Ų91.551%0.50848%0.476SS..Hα-helixtrans-51-51.7178.8-82.9-5.3000114Q66 L72 S73 S74Q66-D70 PolarHBondContact O-N 2.97Å; D70-L72 VanDerWaalsContact C-N 3.25Å; D70-L72 PolarHBondContact O-N 3.21Å; D70-S73 PolarHBondContact O-N 3.45Å; D70-S74 WeakPolarHBondContact O-CB 3.36Å; D70-S74 PolarHBondContact O-N 3.38Å
71P67.4Low68.7Low77 Ų7794.4 Ų94.450%0.550%0.497SS..Hα-helixtrans-68.4-23.8177.324.7-32.8000112.9Q67 R68 S75Q67-P71 WeakPolarHBondContact O-CD 3.14Å; R68-P71 WeakPolarHBondContact O-CD 3.01Å; R68-P71 WeakPolarHBondContact O-CG 3.31Å; P71-S75 VanDerWaalsContact O-CB 3.29Å; P71-S75 WeakPolarHBondContact O-CB 3.46Å; P71-S75 PolarHBondContact O-N 3.14Å
72L64.5Low67.6Low66 Ų6697.3 Ų97.335%0.34651%0.512SS..Hα-helixtrans-75.4-36.5173.8-66.9165.7000111.5L69 D70 P195L69-L72 HydrophobicContact CD2-CD1 4.23Å; L69-L72 CarbonylContact O-C 3.3Å; L69-L72 WeakPolarHBondContact O-CA 3.47Å; L69-L72 WeakPolarHBondContact O-CB 3.35Å; L69-L72 PolarHBondContact O-N 2.77Å; D70-L72 VanDerWaalsContact C-N 3.25Å; D70-L72 PolarHBondContact O-N 3.21Å; L72-P195 HydrophobicContact CD2-CB 3.84Å; L72-P195 HydrophobicContact CD2-CG 3.72Å
73S61.6Low66.8Low101 Ų10193.9 Ų93.971%0.70650%0.498SS*.Hα-helixtrans-78.4-44.3179.4162.60000112.4L69 D70 S75L69-S73 WeakPolarHBondContact O-CB 3.37Å; L69-S73 PolarHBondContact O-N 3.26Å; D70-S73 PolarHBondContact O-N 3.45Å; S73-S75 PolarHBondContact O-N 3.23Å
74S55.4Low66.2Low96 Ų9694.1 Ų94.167%0.67150%0.496SS*.SBendtrans-74.6-13.4-179.8-1790000112.5D70 K76D70-S74 WeakPolarHBondContact O-CB 3.36Å; D70-S74 PolarHBondContact O-N 3.38Å; S74-K76 PolarHBondContact O-N 3.09Å
75S49.9Very low65.8Low52 Ų5297.4 Ų97.436%0.36452%0.518SS..  trans-7374.3175-147.60000110.1P71 S73 S77P71-S75 VanDerWaalsContact O-CB 3.29Å; P71-S75 WeakPolarHBondContact O-CB 3.46Å; P71-S75 PolarHBondContact O-N 3.14Å; S73-S75 PolarHBondContact O-N 3.23Å; S75-S77 PolarHBondContact O-N 3.43Å
76K51.1Low65.7Low197 Ų19798.7 Ų98.786%0.85752%0.524SS*.  -54.491.2128.7-76.9-179.3177.8-179.60104.1S74 P78S74-K76 PolarHBondContact O-N 3.09Å; K76-P78 WeakPolarHBondContact O-CD 3.24Å
77S48.1Very low65.8Low41 Ų4195.4 Ų95.429%0.28751%0.513SS..  trans-41.8115.8-179.550.20000106.4S75 I79S75-S77 PolarHBondContact O-N 3.43Å; S77-I79 VanDerWaalsContact C-N 3.31Å; S77-I79 PolarHBondContact O-N 3.37Å
78P46.5Very low66.2Low73 Ų7394.8 Ų94.847%0.47452%0.519SS..  trans-63.8107.4-177.324.8-29.8000104.5K76 I80K76-P78 WeakPolarHBondContact O-CD 3.24Å; P78-I80 PolarHBondContact O-N 3.06Å
79I50.1Low66.9Low76 Ų7693 Ų9339%0.3951%0.512SS..  trans-55.398.2141.9-68.3170.3000101.1S77 T81 Q83S77-I79 VanDerWaalsContact C-N 3.31Å; S77-I79 PolarHBondContact O-N 3.37Å; I79-T81 PolarHBondContact O-N 3.03Å; I79-Q83 HydrophobicContact CG2-CG 4.2Å
80I51.2Low67.7Low52 Ų5290.3 Ų90.327%0.26750%0.5SS..  trans-51.4122.6175.8-61.5166.1000104P78 E82 K212 P213P78-I80 PolarHBondContact O-N 3.06Å; I80-E82 CarbonylContact O-C 3.52Å; I80-E82 VanDerWaalsContact O-C 3.3Å; I80-E82 PolarHBondContact O-N 3.23Å; I80-K212 HydrophobicContact CB-CD 4.02Å; I80-K212 HydrophobicContact CD1-CD 3.64Å; I80-K212 HydrophobicContact CD1-CG 3.9Å; I80-K212 HydrophobicContact CG1-CD 4.44Å; I80-K212 HydrophobicContact CG2-CD 4.08Å; I80-P213 WeakPolarHBondContact CD1-O 3.5Å
81T56.4Low68.4Low147 Ų14789.2 Ų89.290%0.90250%0.498SS*.SBendtrans-48.7-24.6-170.3-49.10000112.3I79I79-T81 PolarHBondContact O-N 3.03Å
82E64.6Low69.4Low144 Ų14490.9 Ų90.967%0.67350%0.495SS*.  trans-106.697172.5-62.1173178.100111.1I80 K212I80-E82 CarbonylContact O-C 3.52Å; I80-E82 VanDerWaalsContact O-C 3.3Å; I80-E82 PolarHBondContact O-N 3.23Å; E82-K212 VanDerWaalsContact O-CD 3.31Å; E82-K212 WeakPolarHBondContact O-CD 3.22Å; E82-K212 PolarHBondContact O-NZ 3.49Å
83Q71.9Confident70.6Confident72 Ų7291.8 Ų91.834%0.33650%0.503SS..PPolyproline II helixtrans-74.9151.2162-64.3-170.8-100109.9I79I79-Q83 HydrophobicContact CG2-CG 4.2Å
84W76.9Confident72.2Confident124 Ų12487 Ų8747%0.4747%0.47SS..PPolyproline II helixtrans-63.4151.2165.5-66.5-28.5000110Q86 Y132 A210 L211W84-Q86 PolarHBondContact O-N 3.39Å; W84-Q86 VanDerWaalsContact O-N 3.16Å; W84-Y132 HydrophobicContact CH2-CD1 4.27Å; W84-Y132 HydrophobicContact CZ3-CD1 4.42Å; W84-A210 HydrophobicContact CE3-CB 4.19Å; W84-A210 HydrophobicContact CZ3-CB 3.67Å; W84-L211 VanDerWaalsContact CZ3-C 3.46Å
85T80.4Confident74Confident129 Ų12982.8 Ų82.879%0.79144%0.44SS*.PPolyproline II helixtrans-55.6120.8176.648.40000109.9V87T85-V87 PolarHBondContact O-N 3.37Å
86Q82.3Confident76.1Confident110 Ų11080.4 Ų80.451%0.51442%0.423SS..PPolyproline II helixtrans-72.2125.5179.7-63-178.70.300109.6W84W84-Q86 PolarHBondContact O-N 3.39Å; W84-Q86 VanDerWaalsContact O-N 3.16Å
87V88.2Confident78.2Confident57 Ų5771.1 Ų71.135%0.34538%0.382SS..PPolyproline II helixtrans-96.7136175.1-177.20000108.1T85 D208T85-V87 PolarHBondContact O-N 3.37Å; V87-D208 HydrophobicContact CB-CB 4.07Å; V87-D208 HydrophobicContact CG1-CB 4.09Å; V87-D208 HydrophobicContact CG2-CB 4.38Å
88P91.3Very high80.5Confident103 Ų10369.1 Ų69.167%0.66937%0.368SS*.PPolyproline II helixtrans-62.9155.2176.127-35.5000111.4T90P88-T90 PolarHBondContact O-N 2.76Å
89W93.2Very high82.9Confident36 Ų3665.7 Ų65.714%0.13635%0.346CS..PPolyproline II helixtrans-57.1122.6178.6178.1-85000111.6T94 L334 N335 P338 P339 V341W89-T94 HydrophobicContact CD2-CG2 4.25Å; W89-T94 HydrophobicContact CE3-CG2 3.8Å; W89-T94 HydrophobicContact CH2-CG2 4.33Å; W89-T94 HydrophobicContact CZ3-CG2 3.83Å; W89-L334 HydrophobicContact CD2-CD2 4.5Å; W89-L334 HydrophobicContact CE3-CD2 4.39Å; W89-L334 HydrophobicContact CH2-CD2 3.09Å; W89-L334 HydrophobicContact CZ2-CD2 3.09Å; W89-L334 HydrophobicContact CZ3-CD2 3.76Å; W89-N335 PolarHBondContact NE1-OD1 3.4Å; W89-N335 VanDerWaalsContact NE1-OD1 3.15Å; W89-P338 HydrophobicContact CB-CB 3.6Å; W89-P338 HydrophobicContact CD2-CB 4.05Å; W89-P338 HydrophobicContact CG-CB 3.48Å; W89-P338 VanDerWaalsContact CG-CB 3.48Å; W89-P339 HydrophobicContact CE3-CG 4.02Å; W89-P339 HydrophobicContact CZ3-CG 3.81Å; W89-V341 HydrophobicContact CB-CG2 4.08Å; W89-V341 HydrophobicContact CD2-CG2 4.3Å; W89-V341 HydrophobicContact CE3-CG2 3.41Å; W89-V341 VanDerWaalsContact CE3-CG2 3.41Å; W89-V341 HydrophobicContact CZ3-CG2 4.19Å
90T93.7Very high85.2Confident48 Ų4862 Ų6229%0.29433%0.327SS..PPolyproline II helixtrans-102.5118172.763.50000110.5P88 Y92 V93 T94 D208P88-T90 PolarHBondContact O-N 2.76Å; T90-Y92 PolarHBondContact O-N 3.33Å; T90-V93 PolarHBondContact O-N 3.11Å; T90-V93 WeakPolarHBondContact OG1-CB 3.29Å; T90-T94 WeakPolarHBondContact CA-OG1 3.42Å; T90-T94 PolarHBondContact N-OG1 2.81Å; T90-T94 WeakPolarHBondContact O-CB 3.33Å; T90-T94 PolarHBondContact O-N 2.99Å; T90-T94 PolarHBondContact O-OG1 2.91Å; T90-T94 VanDerWaalsContact O-OG1 3.11Å; T90-T94 PolarHBondContact OG1-N 3.24Å; T90-T94 PolarHBondContact OG1-OG1 2.99Å; T90-D208 PolarHBondContact OG1-OD2 3.41Å
91P92Very high87.4Confident72 Ų7259.6 Ų59.647%0.46832%0.315SS..THydrogen-bonded Turntrans-55.5136.2-177.6-28.135.1000113.4V93 N335P91-V93 PolarHBondContact O-N 2.99Å; P91-N335 WeakPolarHBondContact CA-OD1 3.49Å; P91-N335 HydrophobicContact CB-CB 4.2Å
92Y88.2Confident89.4Confident113 Ų11353.4 Ų53.444%0.44328%0.276SS..THydrogen-bonded Turntrans62.3-9177.9-51.3-77.6000117.4T90 R331 R332 N335T90-Y92 PolarHBondContact O-N 3.33Å; Y92-R331 PolarHBondContact O-NH2 2.77Å; Y92-R331 VanDerWaalsContact O-NH2 3.11Å; Y92-R332 HydrophobicContact CE1-CG 4.46Å; Y92-N335 WeakPolarHBondContact CD1-ND2 3.47Å; Y92-N335 VanDerWaalsContact CE1-ND2 3.29Å; Y92-N335 WeakPolarHBondContact CE1-ND2 3.43Å; Y92-N335 WeakPolarHBondContact CE2-ND2 3.31Å; Y92-N335 PolarHBondContact N-OD1 2.97Å
93V90.4Very high91Very high84 Ų8447.4 Ų47.451%0.50925%0.248SC..THydrogen-bonded Turntrans-101.4-53.7177.2176.50000109.1T90 P91 Q95T90-V93 PolarHBondContact O-N 3.11Å; T90-V93 WeakPolarHBondContact OG1-CB 3.29Å; P91-V93 PolarHBondContact O-N 2.99Å; V93-Q95 PolarHBondContact O-N 3.09Å
94T93.6Very high92.2Very high0 Ų046.8 Ų46.80%025%0.246CC..  trans-60.1132.8179.2-510000110.7W89 T90 S206 D208 A209 R331 V341W89-T94 HydrophobicContact CD2-CG2 4.25Å; W89-T94 HydrophobicContact CE3-CG2 3.8Å; W89-T94 HydrophobicContact CH2-CG2 4.33Å; W89-T94 HydrophobicContact CZ3-CG2 3.83Å; T90-T94 WeakPolarHBondContact CA-OG1 3.42Å; T90-T94 PolarHBondContact N-OG1 2.81Å; T90-T94 WeakPolarHBondContact O-CB 3.33Å; T90-T94 PolarHBondContact O-N 2.99Å; T90-T94 PolarHBondContact O-OG1 2.91Å; T90-T94 VanDerWaalsContact O-OG1 3.11Å; T90-T94 PolarHBondContact OG1-N 3.24Å; T90-T94 PolarHBondContact OG1-OG1 2.99Å; T94-S206 WeakPolarHBondContact CA-OG 3.43Å; T94-D208 VanDerWaalsContact CB-OD2 3.3Å; T94-D208 WeakPolarHBondContact CB-OD2 3.41Å; T94-D208 WeakPolarHBondContact CG2-OD2 3.26Å; T94-D208 PolarHBondContact OG1-OD2 3.4Å; T94-A209 HydrophobicContact CG2-CB 4.03Å; T94-R331 PolarHBondContact O-NH2 3.4Å; T94-V341 HydrophobicContact CG2-CG1 4.3Å; T94-V341 HydrophobicContact CG2-CG2 4.37Å
95Q93.3Very high93.1Very high9 Ų941.6 Ų41.64%0.04223%0.232CC..  trans-142.7105.5172.9179.566.861.600106.2V93 L204 V205 S206 W326V93-Q95 PolarHBondContact O-N 3.09Å; Q95-L204 WeakPolarHBondContact CG-O 3.42Å; Q95-V205 CarbonylContact O-C 3.51Å; Q95-V205 VanDerWaalsContact O-CA 3.28Å; Q95-V205 WeakPolarHBondContact O-CA 3.17Å; Q95-V205 WeakPolarHBondContact O-CG1 3.49Å; Q95-S206 PolarHBondContact N-OG 3.11Å; Q95-S206 PolarHBondContact O-N 2.89Å; Q95-S206 PolarHBondContact O-OG 3.33Å; Q95-W326 VanDerWaalsContact OE1-NE1 3.15Å
96R94.4Very high93.9Very high2 Ų239.4 Ų39.41%0.00822%0.218CC..  trans-78.2169.8177.162.5-176.9-176.5160.60.2112.3A209 H221 D226 D324 P339 P340R96-A209 HydrophobicContact CB-CB 4.19Å; R96-H221 PolarHBondContact NH1-O 2.64Å; R96-D226 IonicContact NH2-OD2 2.67Å; R96-D324 WeakPolarHBondContact CD-OD2 3.36Å; R96-D324 WeakPolarHBondContact CG-OD2 3.35Å; R96-D324 IonicContact CZ-OD1 3.79Å; R96-D324 IonicContact CZ-OD2 3.62Å; R96-D324 IonicContact NE-OD1 2.98Å; R96-D324 PolarHBondContact NE-OD1 3.39Å; R96-D324 IonicContact NE-OD2 2.71Å; R96-D324 PolarHBondContact NE-OD2 3.42Å; R96-D324 IonicContact NH2-OD1 3.46Å; R96-D324 PolarHBondContact NH2-OD1 3.41Å; R96-D324 IonicContact NH2-OD2 3.83Å; R96-P339 VanDerWaalsContact CZ-CB 3.48Å; R96-P339 VanDerWaalsContact NH1-CB 3.33Å; R96-P340 PolarHBondContact NH1-O 3.3Å
97C95.2Very high94.5Very high1 Ų139.7 Ų39.71%0.00722%0.215CC..  trans-64.4154.1176.3-164.40000112Q169 V171 V205 L211 H221C97-Q169 HydrophobicContact CB-CG 4.5Å; C97-V171 WeakPolarHBondContact SG-CG2 3.42Å; C97-V205 HydrophobicContact CB-CG2 3.93Å; C97-L211 HydrophobicContact CB-CD1 3.78Å; C97-H221 PolarHBondContact O-NE2 3.38Å
98G96.7Very high94.9Very high0 Ų039.5 Ų39.50%022%0.215CC..  trans-96.9-178.3167.700000112F203 L322G98-F203 WeakPolarHBondContact O-CE2 3.18Å; G98-L322 CarbonylContact C-O 3.55Å; G98-L322 WeakPolarHBondContact CA-O 3.41Å
99L97.3Very high95.1Very high0 Ų035.1 Ų35.10%019%0.186CC..EExtended strand (participates in β ladder)trans-117.3153.3176.8-59-174.2000111.1I124 F203 L217 H221 F222 L322L99-I124 HydrophobicContact CD1-CD1 3.38Å; L99-I124 HydrophobicContact CD1-CG1 4.19Å; L99-I124 HydrophobicContact CD1-CG2 4.22Å; L99-F203 WeakPolarHBondContact O-CZ 3.38Å; L99-L217 HydrophobicContact CD2-CB 3.52Å; L99-L217 HydrophobicContact CD2-CD1 3.79Å; L99-L217 HydrophobicContact CD2-CG 4.17Å; L99-H221 HydrophobicContact CD1-CB 4.07Å; L99-H221 HydrophobicContact CD2-CB 4.46Å; L99-F222 HydrophobicContact CB-CE2 3.99Å; L99-F222 HydrophobicContact CD1-CD2 3.8Å; L99-F222 HydrophobicContact CD1-CE2 3.54Å; L99-F222 HydrophobicContact CG-CD2 4.34Å; L99-F222 HydrophobicContact CG-CE2 3.6Å; L99-F222 HydrophobicContact CG-CZ 4.19Å; L99-L322 PolarHBondContact N-O 3.22Å; L99-L322 PolarHBondContact O-N 2.92Å
100I97.9Very high95.3Very high0 Ų040.8 Ų40.80%021%0.207CC..EExtended strand (participates in β ladder)trans-98.2130.9167.2-56.9172.3000106.5P125 N127 V171 A173 K199 F203 Y319 C320 L321I100-P125 WeakPolarHBondContact O-CD 3.5Å; I100-N127 PolarHBondContact N-ND2 3.11Å; I100-N127 PolarHBondContact O-ND2 3.48Å; I100-N127 PolarHBondContact O-OD1 3.32Å; I100-V171 HydrophobicContact CD1-CB 4.4Å; I100-V171 HydrophobicContact CD1-CG1 4.17Å; I100-V171 WeakPolarHBondContact CD1-O 3.26Å; I100-V171 HydrophobicContact CG1-CG1 4.35Å; I100-A173 HydrophobicContact CB-CB 3.6Å; I100-A173 HydrophobicContact CD1-CB 3.89Å; I100-A173 HydrophobicContact CG1-CB 4.31Å; I100-A173 HydrophobicContact CG2-CB 3.55Å; I100-K199 HydrophobicContact CG2-CG 4.32Å; I100-F203 HydrophobicContact CG1-CE2 4.16Å; I100-F203 HydrophobicContact CG1-CZ 4.27Å; I100-Y319 HydrophobicContact CG2-CD1 4.48Å; I100-C320 WeakPolarHBondContact CA-O 3.27Å; I100-L321 HydrophobicContact CG1-CD2 3.9Å
101A97.9Very high95.4Very high0 Ų039.4 Ų39.40%020%0.199CC..EExtended strand (participates in β ladder)trans-128.3163.1-179.600000110.8F122 Q123 I124 Y319 C320 L322A101-F122 HydrophobicContact CB-CB 4Å; A101-F122 HydrophobicContact CB-CD1 4.15Å; A101-F122 HydrophobicContact CB-CG 4.39Å; A101-Q123 CarbonylContact C-O 3.51Å; A101-Q123 VanDerWaalsContact CA-O 3.27Å; A101-Q123 WeakPolarHBondContact CA-O 3.4Å; A101-Q123 WeakPolarHBondContact CB-O 3.43Å; A101-I124 HydrophobicContact CB-CG1 4.35Å; A101-Y319 CarbonylContact O-C 3.57Å; A101-Y319 WeakPolarHBondContact O-CA 2.99Å; A101-C320 PolarHBondContact N-O 2.91Å; A101-C320 PolarHBondContact O-N 3.47Å; A101-L322 HydrophobicContact CB-CD1 3.7Å; A101-L322 HydrophobicContact CB-CG 4.05Å
102I97.7Very high95.6Very high17 Ų1741.2 Ų41.29%0.08720%0.199CC..EExtended strand (participates in β ladder)trans-105.8132.8164.9-81.5-168.3000109.8L104 F122 Q123 F174 Y319I102-L104 HydrophobicContact CG2-CD2 4.35Å; I102-L104 PolarHBondContact O-N 2.77Å; I102-F122 CarbonylContact O-C 3.51Å; I102-F122 VanDerWaalsContact O-CA 3.29Å; I102-F122 WeakPolarHBondContact O-CA 3.43Å; I102-Q123 PolarHBondContact N-O 3.49Å; I102-Q123 PolarHBondContact O-N 3.22Å; I102-F174 HydrophobicContact CB-CE2 4.44Å; I102-F174 HydrophobicContact CB-CZ 4.29Å; I102-F174 HydrophobicContact CD1-CD2 4.28Å; I102-F174 HydrophobicContact CD1-CE1 3.87Å; I102-F174 HydrophobicContact CD1-CE2 3.22Å; I102-F174 HydrophobicContact CD1-CZ 2.99Å; I102-F174 HydrophobicContact CG1-CE2 3.45Å; I102-F174 VanDerWaalsContact CG1-CE2 3.45Å; I102-F174 HydrophobicContact CG1-CZ 3.58Å; I102-Y319 HydrophobicContact CD1-CD1 4.28Å; I102-Y319 HydrophobicContact CD1-CE1 3.94Å; I102-Y319 HydrophobicContact CG1-CD1 3.89Å; I102-Y319 HydrophobicContact CG1-CE1 4.05Å
103K97.8Very high95.8Very high19 Ų1940.8 Ų40.88%0.08321%0.209CC..EExtended strand (participates in β ladder)trans-72.8113.1169.2-177.2176.1176.41780110.1F122 T312 G314 H317 S318K103-F122 HydrophobicContact CB-CD1 4.24Å; K103-F122 HydrophobicContact CB-CE1 3.93Å; K103-F122 HydrophobicContact CG-CE1 4.3Å; K103-T312 WeakPolarHBondContact CD-OG1 3.5Å; K103-T312 VanDerWaalsContact CE-OG1 3.26Å; K103-T312 WeakPolarHBondContact CE-OG1 3.12Å; K103-T312 PolarHBondContact NZ-O 3.19Å; K103-T312 PolarHBondContact NZ-OG1 3.14Å; K103-G314 PolarHBondContact NZ-O 3.45Å; K103-H317 WeakPolarHBondContact O-CA 3.46Å; K103-H317 PolarHBondContact O-N 3.1Å; K103-S318 PolarHBondContact N-O 2.88Å; K103-S318 VanDerWaalsContact N-O 3.09Å
104L97.4Very high95.9Very high58 Ų5838.7 Ų38.730%0.30420%0.203SC..EExtended strand (participates in β ladder)trans-83.8-37.9176.9-72.2-178.3000113I102 I121 Q123 L305 V316I102-L104 HydrophobicContact CG2-CD2 4.35Å; I102-L104 PolarHBondContact O-N 2.77Å; L104-I121 HydrophobicContact CB-CB 4.26Å; L104-I121 HydrophobicContact CB-CG2 4.3Å; L104-I121 HydrophobicContact CD1-CG2 4.01Å; L104-I121 PolarHBondContact N-O 2.67Å; L104-Q123 HydrophobicContact CD1-CB 3.88Å; L104-Q123 HydrophobicContact CD2-CB 4.31Å; L104-Q123 HydrophobicContact CG-CB 3.92Å; L104-L305 HydrophobicContact CD1-CD2 3.72Å; L104-V316 WeakPolarHBondContact O-CG1 3.43Å
105G97Very high96Very high16 Ų1645.9 Ų45.917%0.16524%0.235CC..EExtended strand (participates in β ladder)trans166-163-17400000113.2T120 I121G105-T120 VanDerWaalsContact O-CA 3.29Å; G105-T120 WeakPolarHBondContact O-CA 3.36Å; G105-I121 PolarHBondContact O-N 3.43Å
106V96.9Very high96.2Very high82 Ų8251.5 Ų51.550%0.49726%0.259SS..EExtended strand (participates in β ladder)trans-123.3133.2173.7-175.70000107.8D118 C119 T120V106-D118 HydrophobicContact CG1-CB 3.96Å; V106-C119 CarbonylContact C-O 3.52Å; V106-C119 WeakPolarHBondContact CA-O 3.2Å; V106-T120 HydrophobicContact CG2-CG2 3.8Å
107Y95.3Very high96.2Very high117 Ų11753.6 Ų53.646%0.45927%0.269SS..EExtended strand (participates in β ladder)trans-131.7132.5180-179.8-99.7000109.5L109 C119 I121 Y307Y107-L109 HydrophobicContact CD1-CD2 3.87Å; Y107-L109 HydrophobicContact CD1-CG 4.09Å; Y107-L109 HydrophobicContact CE1-CD2 3.63Å; Y107-L109 HydrophobicContact CE1-CG 4.31Å; Y107-C119 PolarHBondContact N-O 2.88Å; Y107-C119 WeakPolarHBondContact O-CA 3.43Å; Y107-C119 WeakPolarHBondContact O-CB 3.38Å; Y107-C119 PolarHBondContact O-N 3.18Å; Y107-I121 HydrophobicContact CG-CD1 4.3Å; Y107-Y307 HydrophobicContact CD1-CE1 4.34Å
108P96.4Very high96.3Very high53 Ų5357.3 Ų57.334%0.34429%0.289SS..EExtended strand (participates in β ladder)trans-75.6132.5177.832.1-34.3000110.9K116P108-K116 HydrophobicContact CB-CG 4.35Å
109L95.9Very high96.4Very high11 Ų1157.3 Ų57.36%0.05829%0.289CS..EExtended strand (participates in β ladder)trans-115.7158.9168-69.1173.3000109.7Y107 M117 C119 Y307 I379Y107-L109 HydrophobicContact CD1-CD2 3.87Å; Y107-L109 HydrophobicContact CD1-CG 4.09Å; Y107-L109 HydrophobicContact CE1-CD2 3.63Å; Y107-L109 HydrophobicContact CE1-CG 4.31Å; L109-M117 PolarHBondContact N-O 3Å; L109-M117 PolarHBondContact O-N 3.12Å; L109-C119 HydrophobicContact CD1-CB 4.04Å; L109-C119 HydrophobicContact CG-CB 4.44Å; L109-Y307 HydrophobicContact CD1-CD1 4.13Å; L109-I379 HydrophobicContact CD1-CD1 3.95Å
110W96.7Very high96.4Very high155 Ų15557.3 Ų57.359%0.58729%0.289SS*.EExtended strand (participates in β ladder)trans-112138.2175.2-62.8-56.8000110.8H380W110-H380 PolarHBondContact O-N 3.26Å
111T96.5Very high96.4Very high18 Ų1858.4 Ų58.411%0.1130%0.295CS..BIsolated β-bridgetrans-77.5160167.460.30000110T113 G114 K115 S378T111-T113 PolarHBondContact O-N 2.89Å; T111-T113 VanDerWaalsContact O-N 3.09Å; T111-T113 PolarHBondContact OG1-OG1 2.78Å; T111-G114 PolarHBondContact O-N 2.99Å; T111-K115 PolarHBondContact N-O 3.49Å; T111-K115 WeakPolarHBondContact OG1-CB 3.48Å; T111-K115 PolarHBondContact OG1-N 3.4Å; T111-K115 VanDerWaalsContact OG1-N 3.09Å; T111-K115 PolarHBondContact OG1-O 2.73Å; T111-S378 CarbonylContact C-O 3.57Å; T111-S378 WeakPolarHBondContact CA-O 3.33Å; T111-S378 WeakPolarHBondContact CB-O 3.09Å
112K94.7Very high96.4Very high111 Ų11158.4 Ų58.448%0.48330%0.295SS..THydrogen-bonded Turntrans-58.3-21.4172.2-67.7-177.7178166.70113.3G114 E377 S378 I379 H380K112-G114 PolarHBondContact O-N 2.87Å; K112-E377 VanDerWaalsContact CD-O 3.28Å; K112-E377 WeakPolarHBondContact CD-O 3.28Å; K112-E377 WeakPolarHBondContact CE-O 3.31Å; K112-E377 PolarHBondContact NZ-O 3.41Å; K112-S378 PolarHBondContact N-O 2.88Å; K112-I379 VanDerWaalsContact CE-O 3.31Å; K112-I379 WeakPolarHBondContact CE-O 3.35Å; K112-H380 HydrophobicContact CG-CB 4.41Å
113T93.3Very high96.4Very high104 Ų10461 Ų6164%0.63831%0.307SS*.THydrogen-bonded Turntrans-81.56.1173.769.40000113.6T111 K115 Y389T111-T113 PolarHBondContact O-N 2.89Å; T111-T113 VanDerWaalsContact O-N 3.09Å; T111-T113 PolarHBondContact OG1-OG1 2.78Å; T113-K115 VanDerWaalsContact C-N 3.3Å; T113-K115 PolarHBondContact O-N 2.98Å; T113-Y389 PolarHBondContact O-OH 2.92Å; T113-Y389 VanDerWaalsContact O-OH 3.12Å
114G93Very high96.4Very high39 Ų3960.8 Ų60.840%0.40231%0.306SS..SBendtrans75.28.4-17800000115.7T111 K112 Y389T111-G114 PolarHBondContact O-N 2.99Å; K112-G114 PolarHBondContact O-N 2.87Å; G114-Y389 VanDerWaalsContact CA-OH 3.28Å; G114-Y389 WeakPolarHBondContact CA-OH 3.3Å; G114-Y389 PolarHBondContact N-OH 2.94Å
115K95.6Very high96.2Very high152 Ų15258.8 Ų58.866%0.66130%0.297SS*.  trans-82.4129.6178.8-172.5178.7177.7177.10110T111 T113T111-K115 PolarHBondContact N-O 3.49Å; T111-K115 WeakPolarHBondContact OG1-CB 3.48Å; T111-K115 PolarHBondContact OG1-N 3.4Å; T111-K115 VanDerWaalsContact OG1-N 3.09Å; T111-K115 PolarHBondContact OG1-O 2.73Å; T113-K115 VanDerWaalsContact C-N 3.3Å; T113-K115 PolarHBondContact O-N 2.98Å
116K96Very high95.9Very high126 Ų12661.4 Ų61.455%0.54831%0.307SS..EExtended strand (participates in β ladder)trans-69133.2170.4-175.9-177.3171.5-170.70111P108 D118P108-K116 HydrophobicContact CB-CG 4.35Å; K116-D118 WeakPolarHBondContact CE-OD1 3.12Å; K116-D118 IonicContact NZ-OD1 3.63Å
117M95.9Very high95.8Very high46 Ų4657.5 Ų57.523%0.22728%0.284CS..EExtended strand (participates in β ladder)trans-133.5107.5179.6-162172.672.900110.1L109 C119 V297 P309L109-M117 PolarHBondContact N-O 3Å; L109-M117 PolarHBondContact O-N 3.12Å; M117-C119 PolarHBondContact O-N 3.22Å; M117-C119 PolarHBondContact O-SG 3.02Å; M117-C119 VanDerWaalsContact O-SG 3.38Å; M117-V297 HydrophobicContact CE-CB 4.27Å; M117-V297 HydrophobicContact CE-CG1 3.8Å; M117-V297 HydrophobicContact CE-CG2 3.98Å; M117-P309 HydrophobicContact CE-CB 4.06Å; M117-P309 HydrophobicContact CG-CB 4.16Å; M117-P309 HydrophobicContact SD-CB 4.01Å
118D97.1Very high95.7Very high80 Ų8052.4 Ų52.443%0.42826%0.264SS..EExtended strand (participates in β ladder)trans-71.7123.7177.3-65.1-34.4000110.2V106 K116 G310V106-D118 HydrophobicContact CG1-CB 3.96Å; K116-D118 WeakPolarHBondContact CE-OD1 3.12Å; K116-D118 IonicContact NZ-OD1 3.63Å; D118-G310 PolarHBondContact O-N 3.38Å
119C97.4Very high95.6Very high0 Ų049.9 Ų49.90%025%0.248CC..EExtended strand (participates in β ladder)trans-120.7127.9-175.2-63.50000111.2V106 Y107 L109 M117 V308V106-C119 CarbonylContact C-O 3.52Å; V106-C119 WeakPolarHBondContact CA-O 3.2Å; Y107-C119 PolarHBondContact N-O 2.88Å; Y107-C119 WeakPolarHBondContact O-CA 3.43Å; Y107-C119 WeakPolarHBondContact O-CB 3.38Å; Y107-C119 PolarHBondContact O-N 3.18Å; L109-C119 HydrophobicContact CD1-CB 4.04Å; L109-C119 HydrophobicContact CG-CB 4.44Å; M117-C119 PolarHBondContact O-N 3.22Å; M117-C119 PolarHBondContact O-SG 3.02Å; M117-C119 VanDerWaalsContact O-SG 3.38Å; C119-V308 CarbonylContact C-O 3.4Å; C119-V308 VanDerWaalsContact CA-O 3.29Å; C119-V308 WeakPolarHBondContact CA-O 3.26Å
120T98.3Very high95.4Very high0 Ų049.6 Ų49.60%025%0.246CC..EExtended strand (participates in β ladder)trans-73.1134.6167.548.40000111.7G105 V106 V308 G310 T312G105-T120 VanDerWaalsContact O-CA 3.29Å; G105-T120 WeakPolarHBondContact O-CA 3.36Å; V106-T120 HydrophobicContact CG2-CG2 3.8Å; T120-V308 PolarHBondContact N-O 2.67Å; T120-V308 PolarHBondContact O-N 2.86Å; T120-V308 PolarHBondContact OG1-O 2.83Å; T120-G310 WeakPolarHBondContact CG2-O 3.03Å; T120-T312 HydrophobicContact CG2-CG2 3.97Å; T120-T312 WeakPolarHBondContact CG2-OG1 3.39Å; T120-T312 VanDerWaalsContact OG1-CG2 3.24Å; T120-T312 WeakPolarHBondContact OG1-CG2 3.49Å
121I98Very high95.3Very high23 Ų2347.5 Ų47.512%0.11824%0.238CC..EExtended strand (participates in β ladder)trans-98.5129.8176.1-52179000109L104 G105 Y107 L305 Y307L104-I121 HydrophobicContact CB-CB 4.26Å; L104-I121 HydrophobicContact CB-CG2 4.3Å; L104-I121 HydrophobicContact CD1-CG2 4.01Å; L104-I121 PolarHBondContact N-O 2.67Å; G105-I121 PolarHBondContact O-N 3.43Å; Y107-I121 HydrophobicContact CG-CD1 4.3Å; I121-L305 HydrophobicContact CG2-CB 4.34Å; I121-L305 HydrophobicContact CG2-CD1 4.45Å; I121-L305 HydrophobicContact CG2-CD2 4.16Å; I121-Y307 HydrophobicContact CD1-CD1 4.22Å; I121-Y307 HydrophobicContact CD1-CE1 3.51Å; I121-Y307 HydrophobicContact CG1-CD1 3.72Å; I121-Y307 HydrophobicContact CG1-CE1 3.52Å; I121-Y307 HydrophobicContact CG2-CE1 4.42Å
122F98.3Very high95.2Very high0 Ų048.7 Ų48.70%024%0.241CC..EExtended strand (participates in β ladder)trans-113.3129.1171.1-69.7-69.8000110.2A101 I102 K103 I230 L305 I306 V308 T312 C320 L322A101-F122 HydrophobicContact CB-CB 4Å; A101-F122 HydrophobicContact CB-CD1 4.15Å; A101-F122 HydrophobicContact CB-CG 4.39Å; I102-F122 CarbonylContact O-C 3.51Å; I102-F122 VanDerWaalsContact O-CA 3.29Å; I102-F122 WeakPolarHBondContact O-CA 3.43Å; K103-F122 HydrophobicContact CB-CD1 4.24Å; K103-F122 HydrophobicContact CB-CE1 3.93Å; K103-F122 HydrophobicContact CG-CE1 4.3Å; F122-I230 HydrophobicContact CE1-CG2 4.46Å; F122-I230 HydrophobicContact CE2-CD1 3.6Å; F122-I230 HydrophobicContact CZ-CD1 3.94Å; F122-I230 HydrophobicContact CZ-CG2 3.85Å; F122-L305 CarbonylContact O-C 3.56Å; F122-L305 VanDerWaalsContact O-CA 3.29Å; F122-L305 WeakPolarHBondContact O-CA 3.29Å; F122-I306 HydrophobicContact CB-CB 4.34Å; F122-I306 PolarHBondContact N-O 2.82Å; F122-I306 PolarHBondContact O-N 2.86Å; F122-V308 HydrophobicContact CD2-CB 4.47Å; F122-V308 HydrophobicContact CD2-CG2 4.1Å; F122-V308 HydrophobicContact CE2-CB 4.21Å; F122-V308 HydrophobicContact CE2-CG2 4.17Å; F122-T312 HydrophobicContact CE2-CG2 3.84Å; F122-T312 HydrophobicContact CZ-CG2 3.54Å; F122-C320 HydrophobicContact CD1-CB 4.24Å; F122-C320 HydrophobicContact CE1-CB 3.74Å; F122-L322 HydrophobicContact CB-CD1 4.39Å; F122-L322 HydrophobicContact CD2-CD2 4.43Å; F122-L322 HydrophobicContact CE2-CD2 4.42Å; F122-L322 HydrophobicContact CG-CD1 4.46Å
123Q97.6Very high95.1Very high71 Ų7143.6 Ų43.633%0.33222%0.219SC..EExtended strand (participates in β ladder)trans-94.8129.8166.9-172.5178.226.200109.3A101 I102 L104 P125 G304 L305A101-Q123 CarbonylContact C-O 3.51Å; A101-Q123 VanDerWaalsContact CA-O 3.27Å; A101-Q123 WeakPolarHBondContact CA-O 3.4Å; A101-Q123 WeakPolarHBondContact CB-O 3.43Å; I102-Q123 PolarHBondContact N-O 3.49Å; I102-Q123 PolarHBondContact O-N 3.22Å; L104-Q123 HydrophobicContact CD1-CB 3.88Å; L104-Q123 HydrophobicContact CD2-CB 4.31Å; L104-Q123 HydrophobicContact CG-CB 3.92Å; Q123-P125 VanDerWaalsContact O-CD 3.26Å; Q123-P125 WeakPolarHBondContact O-CD 3.39Å; Q123-G304 CarbonylContact C-O 3.56Å; Q123-L305 HydrophobicContact CB-CD2 3.85Å; Q123-L305 HydrophobicContact CG-CD2 3.99Å
124I96.5Very high95.2Very high14 Ų1440.3 Ų40.37%0.07220%0.199CC..  trans-91.8104.3170.8-68.6170.4000105.9L99 A101 N127 V219 G304 I306L99-I124 HydrophobicContact CD1-CD1 3.38Å; L99-I124 HydrophobicContact CD1-CG1 4.19Å; L99-I124 HydrophobicContact CD1-CG2 4.22Å; A101-I124 HydrophobicContact CB-CG1 4.35Å; I124-N127 WeakPolarHBondContact CG2-ND2 3.5Å; I124-V219 HydrophobicContact CB-CG2 4.01Å; I124-V219 HydrophobicContact CD1-CB 4.03Å; I124-V219 HydrophobicContact CD1-CG1 3.98Å; I124-V219 HydrophobicContact CD1-CG2 3.79Å; I124-V219 HydrophobicContact CG1-CG2 4.38Å; I124-G304 PolarHBondContact N-O 2.85Å; I124-I306 HydrophobicContact CD1-CD1 3.32Å; I124-I306 HydrophobicContact CD1-CG1 3.76Å; I124-I306 HydrophobicContact CG1-CD1 4.38Å
125P93.4Very high95.1Very high16 Ų1639.1 Ų39.110%0.10418%0.184CC..  trans-69.3-176.9172.538.9-43.9000109.7I100 Q123 N127 A173 F174I100-P125 WeakPolarHBondContact O-CD 3.5Å; Q123-P125 VanDerWaalsContact O-CD 3.26Å; Q123-P125 WeakPolarHBondContact O-CD 3.39Å; P125-N127 PolarHBondContact O-N 2.84Å; P125-A173 HydrophobicContact CG-CB 3.95Å; P125-F174 HydrophobicContact CB-CD1 4.22Å; P125-F174 HydrophobicContact CB-CD2 3.7Å; P125-F174 HydrophobicContact CB-CE1 3.93Å; P125-F174 HydrophobicContact CB-CE2 3.35Å; P125-F174 HydrophobicContact CB-CG 4.08Å; P125-F174 HydrophobicContact CB-CZ 3.42Å; P125-F174 VanDerWaalsContact CB-CZ 3.42Å; P125-F174 HydrophobicContact CG-CD2 3.62Å; P125-F174 HydrophobicContact CG-CE2 3.28Å; P125-F174 HydrophobicContact CG-CG 4.44Å; P125-F174 HydrophobicContact CG-CZ 3.88Å
126D90.9Very high94.8Very high71 Ų7135.5 Ų35.538%0.3818%0.178SC..SBendtrans-56.2100.2168.2-176.7-4.6000111.8H128 A173 F174 S175 K197D126-H128 IonicContact OD1-CE1 2.66Å; D126-H128 PolarHBondContact OD1-CE1 2.78Å; D126-H128 IonicContact OD1-ND1 3.72Å; D126-H128 PolarHBondContact OD1-ND1 3.01Å; D126-H128 IonicContact OD2-CE1 2.75Å; D126-A173 WeakPolarHBondContact O-CA 3.36Å; D126-F174 PolarHBondContact O-N 2.92Å; D126-S175 PolarHBondContact OD2-OG 2.85Å; D126-K197 IonicContact OD1-NZ 2.73Å; D126-K197 PolarHBondContact OD1-NZ 3.44Å; D126-K197 VanDerWaalsContact OD1-NZ 3.12Å; D126-K197 IonicContact OD2-NZ 3.12Å; D126-K197 PolarHBondContact OD2-NZ 2.77Å
127N94.8Very high94.5Very high1 Ų132.9 Ų32.91%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-105.7135.1179.6-79.7-21000110.8I100 I124 P125 G172 A173 L217I100-N127 PolarHBondContact N-ND2 3.11Å; I100-N127 PolarHBondContact O-ND2 3.48Å; I100-N127 PolarHBondContact O-OD1 3.32Å; I124-N127 WeakPolarHBondContact CG2-ND2 3.5Å; P125-N127 PolarHBondContact O-N 2.84Å; N127-G172 CarbonylContact C-O 3.53Å; N127-G172 VanDerWaalsContact CA-O 3.26Å; N127-G172 WeakPolarHBondContact CA-O 3.36Å; N127-A173 WeakPolarHBondContact OD1-CA 3.3Å; N127-A173 WeakPolarHBondContact OD1-CB 3.44Å; N127-L217 HydrophobicContact CB-CB 3.86Å; N127-L217 PolarHBondContact O-N 2.78Å
128H93.2Very high93.8Very high10 Ų1030.9 Ų30.95%0.04616%0.158CC..EExtended strand (participates in β ladder)trans-138.7145.9177.4-75.577.3000112.4D126 V171 G172 I194 K197 G214 T215D126-H128 IonicContact OD1-CE1 2.66Å; D126-H128 PolarHBondContact OD1-CE1 2.78Å; D126-H128 IonicContact OD1-ND1 3.72Å; D126-H128 PolarHBondContact OD1-ND1 3.01Å; D126-H128 IonicContact OD2-CE1 2.75Å; H128-V171 WeakPolarHBondContact O-CA 3.43Å; H128-G172 PolarHBondContact N-O 3.46Å; H128-G172 PolarHBondContact O-N 2.92Å; H128-I194 HydrophobicContact CB-CD1 3.48Å; H128-I194 VanDerWaalsContact CB-CD1 3.48Å; H128-I194 HydrophobicContact CB-CG1 4.36Å; H128-I194 HydrophobicContact CB-CG2 4.25Å; H128-K197 PolarHBondContact ND1-NZ 3.36Å; H128-G214 PolarHBondContact CD2-O 3.08Å; H128-T215 WeakPolarHBondContact CA-O 3.4Å
129A94Very high92.8Very high0 Ų029.9 Ų29.90%015%0.153CC..EExtended strand (participates in β ladder)trans-71.5123.8166.100000110L211 K212 P213 G214 T215A129-L211 HydrophobicContact CB-CB 3.87Å; A129-L211 HydrophobicContact CB-CD1 4.4Å; A129-K212 WeakPolarHBondContact CB-O 3.41Å; A129-P213 CarbonylContact O-C 3.58Å; A129-P213 WeakPolarHBondContact O-CA 3.46Å; A129-G214 PolarHBondContact O-N 2.93Å; A129-T215 PolarHBondContact N-O 2.93Å
130I93.5Very high91.8Very high5 Ų536.5 Ų36.53%0.02618%0.182CC..EExtended strand (participates in β ladder)trans-101.1-47.5-177.3-62.4160.4000111.1L170 G172 L188 F189 I200 P213I130-L170 HydrophobicContact CB-CD2 3.68Å; I130-L170 HydrophobicContact CD1-CD2 3.59Å; I130-L170 HydrophobicContact CG1-CD2 4.26Å; I130-L170 HydrophobicContact CG2-CD2 3.74Å; I130-L170 PolarHBondContact N-O 2.81Å; I130-G172 VanDerWaalsContact CD1-CA 3.47Å; I130-G172 VanDerWaalsContact CD1-N 3.27Å; I130-L188 WeakPolarHBondContact CG2-O 3.46Å; I130-F189 HydrophobicContact CD1-CD1 3.88Å; I130-F189 HydrophobicContact CD1-CE1 3.39Å; I130-F189 HydrophobicContact CD1-CZ 4.29Å; I130-F189 HydrophobicContact CG1-CD1 3.99Å; I130-F189 HydrophobicContact CG1-CE1 4.01Å; I130-F189 HydrophobicContact CG2-CD1 4.45Å; I130-I200 HydrophobicContact CD1-CD1 4.22Å; I130-I200 HydrophobicContact CD1-CG1 4.01Å; I130-I200 HydrophobicContact CD1-CG2 4.43Å; I130-P213 WeakPolarHBondContact O-CB 3.1Å
131R93.4Very high90.6Very high111 Ų11140.2 Ų40.242%0.41920%0.196SC..EExtended strand (participates in β ladder)trans-155.3139.9-174.5179.7173.6170.4174.5-0.1110.5Q169 L170R131-Q169 PolarHBondContact O-NE2 3.44Å; R131-L170 HydrophobicContact CB-CB 4.25Å; R131-L170 PolarHBondContact N-O 2.89Å; R131-L170 WeakPolarHBondContact O-CB 3.46Å; R131-L170 PolarHBondContact O-N 2.89Å
132Y94Very high88.6Confident42 Ų4244.3 Ų44.317%0.16522%0.217CC..EExtended strand (participates in β ladder)trans-107.2135.6168.1177.7-119.1000109.7W84 P134 I168 Q169 P207 A210W84-Y132 HydrophobicContact CH2-CD1 4.27Å; W84-Y132 HydrophobicContact CZ3-CD1 4.42Å; Y132-P134 HydrophobicContact CE1-CB 4.04Å; Y132-I168 CarbonylContact C-O 3.54Å; Y132-Q169 VanDerWaalsContact CD2-OE1 3.27Å; Y132-P207 WeakPolarHBondContact OH-CA 3.49Å; Y132-A210 HydrophobicContact CD1-CB 3.8Å; Y132-A210 HydrophobicContact CD2-CB 3.88Å; Y132-A210 HydrophobicContact CE1-CB 3.62Å; Y132-A210 HydrophobicContact CE2-CB 3.72Å; Y132-A210 HydrophobicContact CG-CB 3.92Å
133T94Very high86.9Confident5 Ų548.6 Ų48.63%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-116.2118.8167.8-50.40000109.1E137 Y141 G167 I168T133-E137 HydrophobicContact CG2-CB 3.78Å; T133-Y141 HydrophobicContact CG2-CE2 3.9Å; T133-Y141 PolarHBondContact OG1-OH 3.48Å; T133-G167 CarbonylContact O-C 3.55Å; T133-G167 WeakPolarHBondContact O-CA 3.5Å; T133-I168 PolarHBondContact N-O 2.84Å; T133-I168 PolarHBondContact O-N 3.39Å
134P93.7Very high85.1Confident35 Ų3546.8 Ų46.823%0.22724%0.239CC..  trans-68.6158-178.829-35.2000111.7Y132 S136 E137Y132-P134 HydrophobicContact CE1-CB 4.04Å; P134-S136 PolarHBondContact O-N 2.75Å; P134-S136 VanDerWaalsContact O-N 3.12Å; P134-E137 HydrophobicContact CG-CB 4.14Å; P134-E137 HydrophobicContact CG-CG 3.9Å; P134-E137 PolarHBondContact O-N 2.99Å
135P90.8Very high83.2Confident13 Ų1349.9 Ų49.98%0.08426%0.256CS..G310 helixtrans-56.8-30-178.4-16.321.2000114.5E137 K164 P207P135-E137 VanDerWaalsContact C-N 3.27Å; P135-E137 PolarHBondContact O-N 3.44Å; P135-K164 HydrophobicContact CB-CB 3.95Å; P135-K164 WeakPolarHBondContact CB-O 3.48Å; P135-P207 HydrophobicContact CG-CG 3.78Å
136S89.6Confident81.4Confident76 Ų7654.7 Ų54.753%0.53128%0.277SS..G310 helixtrans-63.3-32.4177.749.20000112.9P134P134-S136 PolarHBondContact O-N 2.75Å; P134-S136 VanDerWaalsContact O-N 3.12Å
137E89.4Confident79.6Confident71 Ų7153.6 Ų53.633%0.33227%0.273SS..G310 helixtrans-98.3-3.9-173.1-68.8-171.5-155.300114.3T133 P134 P135 D139 K140T133-E137 HydrophobicContact CG2-CB 3.78Å; P134-E137 HydrophobicContact CG-CB 4.14Å; P134-E137 HydrophobicContact CG-CG 3.9Å; P134-E137 PolarHBondContact O-N 2.99Å; P135-E137 VanDerWaalsContact C-N 3.27Å; P135-E137 PolarHBondContact O-N 3.44Å; E137-D139 PolarHBondContact O-N 3.41Å; E137-D139 VanDerWaalsContact O-N 3.14Å; E137-K140 HydrophobicContact CB-CD 4.27Å; E137-K140 VanDerWaalsContact CD-NZ 3.28Å; E137-K140 WeakPolarHBondContact O-CB 2.99Å; E137-K140 WeakPolarHBondContact O-CG 3.44Å; E137-K140 PolarHBondContact O-N 2.66Å; E137-K140 IonicContact OE1-NZ 3.94Å; E137-K140 IonicContact OE2-NZ 2.74Å; E137-K140 PolarHBondContact OE2-NZ 2.67Å
138I82.6Confident77.3Confident4 Ų463.3 Ų63.32%0.02131%0.31CS..G310 helixtrans-58.8-29.9-178-67.5-176.4000112K140 Y141 L144 W160 W166 I168I138-K140 PolarHBondContact O-N 2.89Å; I138-K140 VanDerWaalsContact O-N 3.09Å; I138-Y141 PolarHBondContact O-N 2.87Å; I138-L144 HydrophobicContact CG2-CD1 3.47Å; I138-L144 VanDerWaalsContact CG2-CD1 3.47Å; I138-W160 HydrophobicContact CD1-CZ3 4.09Å; I138-W166 WeakPolarHBondContact CD1-O 3.35Å; I138-I168 HydrophobicContact CD1-CD1 4.26Å; I138-I168 HydrophobicContact CD1-CG1 4.08Å; I138-I168 HydrophobicContact CG1-CD1 4.27Å; I138-I168 HydrophobicContact CG1-CG1 4.44Å; I138-I168 HydrophobicContact CG2-CD1 4.35Å
139D74.7Confident74.9Confident59 Ų5971.4 Ų71.432%0.31635%0.347SS..G310 helixtrans-59.6-21.7179.1-59.2-28.1000112.5E137 Y141 L145 K164E137-D139 PolarHBondContact O-N 3.41Å; E137-D139 VanDerWaalsContact O-N 3.14Å; D139-Y141 PolarHBondContact O-N 3.12Å; D139-L145 WeakPolarHBondContact O-CD1 3.43Å; D139-K164 VanDerWaalsContact OD2-CE 3.3Å; D139-K164 WeakPolarHBondContact OD2-CE 3.32Å; D139-K164 IonicContact OD2-NZ 3.55Å; D139-K164 PolarHBondContact OD2-NZ 3.17Å
140K76.6Confident72.5Confident139 Ų13980 Ų8060%0.60438%0.381SS*.G310 helixtrans-61.4-26.2175.3-65.2176.7-176.3173.40112.6E137 I138 I142E137-K140 HydrophobicContact CB-CD 4.27Å; E137-K140 VanDerWaalsContact CD-NZ 3.28Å; E137-K140 WeakPolarHBondContact O-CB 2.99Å; E137-K140 WeakPolarHBondContact O-CG 3.44Å; E137-K140 PolarHBondContact O-N 2.66Å; E137-K140 IonicContact OE1-NZ 3.94Å; E137-K140 IonicContact OE2-NZ 2.74Å; E137-K140 PolarHBondContact OE2-NZ 2.67Å; I138-K140 PolarHBondContact O-N 2.89Å; I138-K140 VanDerWaalsContact O-N 3.09Å; K140-I142 PolarHBondContact O-N 2.75Å; K140-I142 VanDerWaalsContact O-N 3.17Å
141Y74Confident70.4Confident78 Ų7889.9 Ų89.931%0.30642%0.418SS..  trans-83.596179.3-60.7-70.1000110.6T133 I138 D139 S143 L144T133-Y141 HydrophobicContact CG2-CE2 3.9Å; T133-Y141 PolarHBondContact OG1-OH 3.48Å; I138-Y141 PolarHBondContact O-N 2.87Å; D139-Y141 PolarHBondContact O-N 3.12Å; Y141-S143 PolarHBondContact O-N 2.87Å; Y141-L144 WeakPolarHBondContact O-CB 3.46Å; Y141-L144 PolarHBondContact O-N 2.9Å
142I55.2Low67.9Low109 Ų10990.6 Ų90.656%0.55943%0.43SS*.Hα-helixtrans-50-34.3-179.1-60.6171.8000112.6K140 L144 L145 H146K140-I142 PolarHBondContact O-N 2.75Å; K140-I142 VanDerWaalsContact O-N 3.17Å; I142-L144 PolarHBondContact O-N 2.92Å; I142-L145 PolarHBondContact O-N 3Å; I142-H146 PolarHBondContact O-N 2.74Å
143S63.2Low65.5Low90 Ų9096.3 Ų96.363%0.62946%0.463SS*.Hα-helixtrans-61.6-22178.760.30000113.9Y141Y141-S143 PolarHBondContact O-N 2.87Å
144L60.3Low63.3Low33 Ų33102 Ų10217%0.17349%0.494CS..Hα-helixtrans-90.5-32.8178-61.6-179.8000112.5I138 Y141 I142 I161 I168I138-L144 HydrophobicContact CG2-CD1 3.47Å; I138-L144 VanDerWaalsContact CG2-CD1 3.47Å; Y141-L144 WeakPolarHBondContact O-CB 3.46Å; Y141-L144 PolarHBondContact O-N 2.9Å; I142-L144 PolarHBondContact O-N 2.92Å; L144-I161 HydrophobicContact CB-CD1 4.13Å; L144-I161 HydrophobicContact CD2-CD1 4.33Å; L144-I168 HydrophobicContact CD1-CD1 4.2Å
145L56.2Low61.7Low79 Ų79110.5 Ų110.541%0.41453%0.527SS..Hα-helixtrans-76.2-41.7178.2-71.7175.6000112.5D139 I142 P147D139-L145 WeakPolarHBondContact O-CD1 3.43Å; I142-L145 PolarHBondContact O-N 3Å; L145-P147 WeakPolarHBondContact O-CD 3.2Å
146H54.4Low60.4Low118 Ų118119.7 Ų119.755%0.54656%0.56SS.*SBendtrans-119.692.1177.1-68.3-61.6000108.8I142 R148I142-H146 PolarHBondContact O-N 2.74Å; H146-R148 HydrophobicContact CB-CG 4.36Å; H146-R148 PolarHBondContact O-N 2.95Å
147P54.8Low59.4Low47 Ų47118.4 Ų118.431%0.30555%0.549SS..  trans-6678.3173.725.5-31.6000109.2L145 H149 Y150L145-P147 WeakPolarHBondContact O-CD 3.2Å; P147-H149 PolarHBondContact O-N 3.5Å; P147-Y150 HydrophobicContact CB-CD2 3.52Å; P147-Y150 HydrophobicContact CB-CE2 4.38Å; P147-Y150 HydrophobicContact CB-CG 4.22Å; P147-Y150 PolarHBondContact O-N 2.98Å
148R45.4Very low58.5Low205 Ų205118.2 Ų118.277%0.77455%0.554SS**THydrogen-bonded Turntrans-63.51.7-177.9-75.6-173.6-174.9153.22.5113.3H146H146-R148 HydrophobicContact CB-CG 4.36Å; H146-R148 PolarHBondContact O-N 2.95Å
149H43.1Very low58.3Low180 Ų180121.8 Ų121.883%0.83358%0.58SS**THydrogen-bonded Turntrans-14512.6-174.4-98.3-100.1000115.5P147 W151P147-H149 PolarHBondContact O-N 3.5Å; H149-W151 PolarHBondContact O-N 3.03Å
150Y44.1Very low58.3Low180 Ų180121 Ų12171%0.70657%0.573SS**  trans-89.999.2170-77.2-91.1000109.2P147 L152P147-Y150 HydrophobicContact CB-CD2 3.52Å; P147-Y150 HydrophobicContact CB-CE2 4.38Å; P147-Y150 HydrophobicContact CB-CG 4.22Å; P147-Y150 PolarHBondContact O-N 2.98Å; Y150-L152 PolarHBondContact O-N 3.3Å
151W47.9Very low58.2Low213 Ų213114.9 Ų114.981%0.80755%0.546SS*.  trans-62.1-10.7-177.893.556.3000113.7H149H149-W151 PolarHBondContact O-N 3.03Å
152L42.2Very low58.3Low126 Ų126115.8 Ų115.866%0.6656%0.56SS**SBendtrans-89.4122.1176.7-74.8148.9000109.2Y150 N154Y150-L152 PolarHBondContact O-N 3.3Å; L152-N154 PolarHBondContact O-N 2.81Å
153N44.1Very low59.5Low162 Ų162116 Ų11687%0.86656%0.559SS**SBendtrans-21.16.2169.3-80.5-6.7000122K155N153-K155 PolarHBondContact O-N 3.38Å
154N48Very low60.4Low126 Ų126116.1 Ų116.167%0.67455%0.548SS*.  trans-78.688.1175.2-73.2-4.3000109.4L152 R156L152-N154 PolarHBondContact O-N 2.81Å; N154-R156 PolarHBondContact O-N 3.47Å
155K59.1Low61.6Low212 Ų212119.8 Ų119.892%0.92256%0.56SS**  trans-59.4-1.5161.5-67.5-172.3176.8-175.30113N153N153-K155 PolarHBondContact O-N 3.38Å
156R64.4Low63.2Low207 Ų207117.4 Ų117.478%0.78155%0.545SS*.SBendtrans-114.4134.5-174.5-62.9-175.7179.7174.7-0.4110N154N154-R156 PolarHBondContact O-N 3.47Å
157P68.8Low65.1Low48 Ų48111.8 Ų111.831%0.31252%0.519SS..  trans-60.8153.317326.8-33.5000110.5
158P70.6Confident66.9Low67 Ų67110.1 Ų110.144%0.43551%0.508SS..  trans-45.9140.6169.2-2829.6000112.8W160 I161 T162P158-W160 HydrophobicContact CB-CG 4.47Å; P158-W160 PolarHBondContact O-N 3.06Å; P158-W160 VanDerWaalsContact O-N 3.15Å; P158-I161 HydrophobicContact CB-CD1 4.19Å; P158-I161 HydrophobicContact CG-CD1 3.98Å; P158-I161 WeakPolarHBondContact O-CB 3.35Å; P158-I161 PolarHBondContact O-N 3.14Å; P158-I161 VanDerWaalsContact O-N 3.08Å; P158-T162 PolarHBondContact O-N 3.43Å
159S77Confident69.3Low80 Ų80100.4 Ų100.456%0.55947%0.471SS*.Hα-helixtrans-55.8-37.4-175.155.60000113.3I161 T162 Q163S159-I161 VanDerWaalsContact C-N 3.28Å; S159-I161 PolarHBondContact O-N 3.32Å; S159-T162 PolarHBondContact O-N 3.14Å; S159-T162 VanDerWaalsContact O-N 3.13Å; S159-Q163 WeakPolarHBondContact O-CB 3.34Å; S159-Q163 WeakPolarHBondContact O-CG 3.48Å; S159-Q163 PolarHBondContact O-N 2.71Å
160W74.7Confident71.8Confident42 Ų4294 Ų9416%0.15944%0.443CS..Hα-helixtrans-65-29.1-178.567.9-93.4000113.9I138 P158 K164 R165 W166 L204I138-W160 HydrophobicContact CD1-CZ3 4.09Å; P158-W160 HydrophobicContact CB-CG 4.47Å; P158-W160 PolarHBondContact O-N 3.06Å; P158-W160 VanDerWaalsContact O-N 3.15Å; W160-K164 PolarHBondContact O-N 3.13Å; W160-K164 VanDerWaalsContact O-N 3.14Å; W160-R165 PolarHBondContact O-N 3.44Å; W160-W166 HydrophobicContact CB-CE3 3.54Å; W160-W166 HydrophobicContact CB-CH2 4.4Å; W160-W166 HydrophobicContact CB-CZ3 3.44Å; W160-W166 VanDerWaalsContact CB-CZ3 3.44Å; W160-W166 HydrophobicContact CD2-CE3 4.11Å; W160-W166 HydrophobicContact CD2-CZ3 4.47Å; W160-W166 HydrophobicContact CE3-CE3 4.2Å; W160-W166 AromaticContact CG-CE3 3.87Å; W160-W166 HydrophobicContact CG-CE3 3.87Å; W160-W166 AromaticContact CG-CZ3 3.82Å; W160-W166 HydrophobicContact CG-CZ3 3.82Å; W160-L204 HydrophobicContact CD2-CD1 4.38Å; W160-L204 HydrophobicContact CE3-CD2 4.21Å; W160-L204 HydrophobicContact CH2-CD2 3.62Å; W160-L204 HydrophobicContact CZ2-CD1 4.4Å; W160-L204 HydrophobicContact CZ2-CD2 4.13Å; W160-L204 HydrophobicContact CZ3-CD2 3.65Å
161I75.6Confident74.3Confident10 Ų1085.5 Ų85.55%0.05141%0.409CS..Hα-helixtrans-69.9-47.1173.4-65.8166.6000108.7L144 P158 S159 Q163 K164L144-I161 HydrophobicContact CB-CD1 4.13Å; L144-I161 HydrophobicContact CD2-CD1 4.33Å; P158-I161 HydrophobicContact CB-CD1 4.19Å; P158-I161 HydrophobicContact CG-CD1 3.98Å; P158-I161 WeakPolarHBondContact O-CB 3.35Å; P158-I161 PolarHBondContact O-N 3.14Å; P158-I161 VanDerWaalsContact O-N 3.08Å; S159-I161 VanDerWaalsContact C-N 3.28Å; S159-I161 PolarHBondContact O-N 3.32Å; I161-Q163 VanDerWaalsContact C-N 3.29Å; I161-Q163 PolarHBondContact O-N 3.38Å; I161-K164 WeakPolarHBondContact O-CG 3.33Å; I161-K164 PolarHBondContact O-N 3.08Å; I161-K164 VanDerWaalsContact O-N 3.14Å
162T75.7Confident76.6Confident98 Ų9875.3 Ų75.360%0.60137%0.371SS*.Hα-helixtrans-63.8-38.3179.8-45.20000111.2P158 S159 K164P158-T162 PolarHBondContact O-N 3.43Å; S159-T162 PolarHBondContact O-N 3.14Å; S159-T162 VanDerWaalsContact O-N 3.13Å; T162-K164 VanDerWaalsContact C-N 3.29Å; T162-K164 PolarHBondContact O-N 3.03Å
163Q81Confident79.1Confident112 Ų11269.3 Ų69.352%0.52334%0.339SS..THydrogen-bonded Turntrans-79.8-6.8179.5-66.3172.3-13.700113.4S159 I161 R165S159-Q163 WeakPolarHBondContact O-CB 3.34Å; S159-Q163 WeakPolarHBondContact O-CG 3.48Å; S159-Q163 PolarHBondContact O-N 2.71Å; I161-Q163 VanDerWaalsContact C-N 3.29Å; I161-Q163 PolarHBondContact O-N 3.38Å; Q163-R165 HydrophobicContact CB-CG 3.7Å; Q163-R165 PolarHBondContact O-N 2.97Å
164K81.9Confident81.4Confident93 Ų9364.1 Ų64.140%0.40431%0.309SS..THydrogen-bonded Turntrans44.940.3-177-63.1-167174.5-163.90113.8P135 D139 W160 I161 T162P135-K164 HydrophobicContact CB-CB 3.95Å; P135-K164 WeakPolarHBondContact CB-O 3.48Å; D139-K164 VanDerWaalsContact OD2-CE 3.3Å; D139-K164 WeakPolarHBondContact OD2-CE 3.32Å; D139-K164 IonicContact OD2-NZ 3.55Å; D139-K164 PolarHBondContact OD2-NZ 3.17Å; W160-K164 PolarHBondContact O-N 3.13Å; W160-K164 VanDerWaalsContact O-N 3.14Å; I161-K164 WeakPolarHBondContact O-CG 3.33Å; I161-K164 PolarHBondContact O-N 3.08Å; I161-K164 VanDerWaalsContact O-N 3.14Å; T162-K164 VanDerWaalsContact C-N 3.29Å; T162-K164 PolarHBondContact O-N 3.03Å
165R85.4Confident83.3Confident111 Ų11160.3 Ų60.342%0.41929%0.292SS..  trans-78.7-32.1-174.2-71.1-177.671.9-170.63.4114W160 Q163W160-R165 PolarHBondContact O-N 3.44Å; Q163-R165 HydrophobicContact CB-CG 3.7Å; Q163-R165 PolarHBondContact O-N 2.97Å
166W89.9Confident84.6Confident29 Ų2950.8 Ų50.811%0.1125%0.253CS..  trans-130.2138.3-171.6-56.6-46.9000109.8I138 W160 L204 V205I138-W166 WeakPolarHBondContact CD1-O 3.35Å; W160-W166 HydrophobicContact CB-CE3 3.54Å; W160-W166 HydrophobicContact CB-CH2 4.4Å; W160-W166 HydrophobicContact CB-CZ3 3.44Å; W160-W166 VanDerWaalsContact CB-CZ3 3.44Å; W160-W166 HydrophobicContact CD2-CE3 4.11Å; W160-W166 HydrophobicContact CD2-CZ3 4.47Å; W160-W166 HydrophobicContact CE3-CE3 4.2Å; W160-W166 AromaticContact CG-CE3 3.87Å; W160-W166 HydrophobicContact CG-CE3 3.87Å; W160-W166 AromaticContact CG-CZ3 3.82Å; W160-W166 HydrophobicContact CG-CZ3 3.82Å; W166-L204 HydrophobicContact CB-CB 4.17Å; W166-L204 HydrophobicContact CE3-CB 4.38Å; W166-L204 HydrophobicContact CE3-CD1 3.85Å; W166-L204 HydrophobicContact CG-CB 4.47Å; W166-L204 HydrophobicContact CZ3-CD1 4.21Å; W166-V205 CarbonylContact C-O 3.14Å; W166-V205 WeakPolarHBondContact CA-O 3.32Å
167G92.8Very high85.5Confident0 Ų044.8 Ų44.80%024%0.236CC..EExtended strand (participates in β ladder)trans-79.7179.2163.400000111.4T133 L204 V205T133-G167 CarbonylContact O-C 3.55Å; T133-G167 WeakPolarHBondContact O-CA 3.5Å; G167-L204 WeakPolarHBondContact O-CA 3.02Å; G167-V205 WeakPolarHBondContact CA-O 3.39Å; G167-V205 PolarHBondContact N-O 2.95Å; G167-V205 PolarHBondContact O-N 3.16Å
168I93.7Very high86.3Confident12 Ų1245.4 Ų45.46%0.06224%0.241CC..EExtended strand (participates in β ladder)trans-116.5115.7176.2-64172.2000108.6Y132 T133 I138 L144 R202 F203 L204Y132-I168 CarbonylContact C-O 3.54Å; T133-I168 PolarHBondContact N-O 2.84Å; T133-I168 PolarHBondContact O-N 3.39Å; I138-I168 HydrophobicContact CD1-CD1 4.26Å; I138-I168 HydrophobicContact CD1-CG1 4.08Å; I138-I168 HydrophobicContact CG1-CD1 4.27Å; I138-I168 HydrophobicContact CG1-CG1 4.44Å; I138-I168 HydrophobicContact CG2-CD1 4.35Å; L144-I168 HydrophobicContact CD1-CD1 4.2Å; I168-R202 HydrophobicContact CG2-CB 3.71Å; I168-F203 WeakPolarHBondContact CA-O 3.28Å; I168-L204 HydrophobicContact CG1-CD2 4.29Å
169Q95Very high86.8Confident0 Ų045.6 Ų45.60%024%0.237CC..EExtended strand (participates in β ladder)trans-94.9124.2168.4-168.271.236.800109.3C97 R131 Y132 V171 R202 F203 V205 L211C97-Q169 HydrophobicContact CB-CG 4.5Å; R131-Q169 PolarHBondContact O-NE2 3.44Å; Y132-Q169 VanDerWaalsContact CD2-OE1 3.27Å; Q169-V171 HydrophobicContact CG-CG2 4.23Å; Q169-R202 CarbonylContact O-C 3.56Å; Q169-R202 WeakPolarHBondContact O-CA 3.27Å; Q169-F203 PolarHBondContact N-O 3.33Å; Q169-F203 PolarHBondContact O-N 2.79Å; Q169-V205 HydrophobicContact CB-CB 4.15Å; Q169-V205 HydrophobicContact CB-CG2 3.53Å; Q169-L211 PolarHBondContact NE2-O 2.74Å
170L96.2Very high87.2Confident47 Ų4746.7 Ų46.725%0.24623%0.233CC..EExtended strand (participates in β ladder)trans-94.6122.7175.2-159.7126.1000108.3I130 R131 I200I130-L170 HydrophobicContact CB-CD2 3.68Å; I130-L170 HydrophobicContact CD1-CD2 3.59Å; I130-L170 HydrophobicContact CG1-CD2 4.26Å; I130-L170 HydrophobicContact CG2-CD2 3.74Å; I130-L170 PolarHBondContact N-O 2.81Å; R131-L170 HydrophobicContact CB-CB 4.25Å; R131-L170 PolarHBondContact N-O 2.89Å; R131-L170 WeakPolarHBondContact O-CB 3.46Å; R131-L170 PolarHBondContact O-N 2.89Å; L170-I200 HydrophobicContact CD1-CG2 3.99Å; L170-I200 HydrophobicContact CD2-CD1 4.31Å; L170-I200 HydrophobicContact CD2-CG2 3.37Å; L170-I200 HydrophobicContact CG-CG2 3.47Å; L170-I200 VanDerWaalsContact CG-CG2 3.47Å
171V96.5Very high87.9Confident0 Ų047.1 Ų47.10%024%0.237CC..EExtended strand (participates in β ladder)trans-119.8136.6-178.2175.70000109C97 I100 H128 Q169 I200 S201 F203 L217C97-V171 WeakPolarHBondContact SG-CG2 3.42Å; I100-V171 HydrophobicContact CD1-CB 4.4Å; I100-V171 HydrophobicContact CD1-CG1 4.17Å; I100-V171 WeakPolarHBondContact CD1-O 3.26Å; I100-V171 HydrophobicContact CG1-CG1 4.35Å; H128-V171 WeakPolarHBondContact O-CA 3.43Å; Q169-V171 HydrophobicContact CG-CG2 4.23Å; V171-I200 WeakPolarHBondContact O-CA 3.44Å; V171-S201 PolarHBondContact N-O 2.88Å; V171-S201 PolarHBondContact O-N 3.28Å; V171-F203 HydrophobicContact CB-CD2 4.09Å; V171-F203 HydrophobicContact CB-CE2 3.95Å; V171-F203 HydrophobicContact CG1-CE2 4.46Å; V171-F203 HydrophobicContact CG2-CD2 3.74Å; V171-F203 HydrophobicContact CG2-CE2 4.02Å; V171-L217 HydrophobicContact CG1-CD1 3.96Å; V171-L217 HydrophobicContact CG2-CD1 4.09Å
172G96.1Very high88.6Confident0 Ų050.7 Ų50.70%026%0.259CS..EExtended strand (participates in β ladder)trans-110.5147174.800000111.7N127 H128 I130 K199N127-G172 CarbonylContact C-O 3.53Å; N127-G172 VanDerWaalsContact CA-O 3.26Å; N127-G172 WeakPolarHBondContact CA-O 3.36Å; H128-G172 PolarHBondContact N-O 3.46Å; H128-G172 PolarHBondContact O-N 2.92Å; I130-G172 VanDerWaalsContact CD1-CA 3.47Å; I130-G172 VanDerWaalsContact CD1-N 3.27Å; G172-K199 CarbonylContact C-O 3.53Å; G172-K199 VanDerWaalsContact CA-O 3.32Å; G172-K199 WeakPolarHBondContact CA-O 3.2Å
173A94.6Very high89.2Confident0 Ų050.9 Ų50.90%026%0.264CS..EExtended strand (participates in β ladder)trans-136.8148.1-178.500000111I100 P125 D126 N127 R198 K199I100-A173 HydrophobicContact CB-CB 3.6Å; I100-A173 HydrophobicContact CD1-CB 3.89Å; I100-A173 HydrophobicContact CG1-CB 4.31Å; I100-A173 HydrophobicContact CG2-CB 3.55Å; P125-A173 HydrophobicContact CG-CB 3.95Å; D126-A173 WeakPolarHBondContact O-CA 3.36Å; N127-A173 WeakPolarHBondContact OD1-CA 3.3Å; N127-A173 WeakPolarHBondContact OD1-CB 3.44Å; A173-R198 PolarHBondContact O-N 2.92Å; A173-K199 PolarHBondContact N-O 3.38Å; A173-K199 PolarHBondContact O-N 3.25Å
174F92.3Very high89.9Confident53 Ų5353.1 Ų53.123%0.23228%0.275CS..EExtended strand (participates in β ladder)trans63113.5-172.8-74.2-92.9000112.7I102 P125 D126 A176 K197 R198 Y319I102-F174 HydrophobicContact CB-CE2 4.44Å; I102-F174 HydrophobicContact CB-CZ 4.29Å; I102-F174 HydrophobicContact CD1-CD2 4.28Å; I102-F174 HydrophobicContact CD1-CE1 3.87Å; I102-F174 HydrophobicContact CD1-CE2 3.22Å; I102-F174 HydrophobicContact CD1-CZ 2.99Å; I102-F174 HydrophobicContact CG1-CE2 3.45Å; I102-F174 VanDerWaalsContact CG1-CE2 3.45Å; I102-F174 HydrophobicContact CG1-CZ 3.58Å; P125-F174 HydrophobicContact CB-CD1 4.22Å; P125-F174 HydrophobicContact CB-CD2 3.7Å; P125-F174 HydrophobicContact CB-CE1 3.93Å; P125-F174 HydrophobicContact CB-CE2 3.35Å; P125-F174 HydrophobicContact CB-CG 4.08Å; P125-F174 HydrophobicContact CB-CZ 3.42Å; P125-F174 VanDerWaalsContact CB-CZ 3.42Å; P125-F174 HydrophobicContact CG-CD2 3.62Å; P125-F174 HydrophobicContact CG-CE2 3.28Å; P125-F174 HydrophobicContact CG-CG 4.44Å; P125-F174 HydrophobicContact CG-CZ 3.88Å; D126-F174 PolarHBondContact O-N 2.92Å; F174-A176 PolarHBondContact O-N 3.24Å; F174-K197 CarbonylContact O-C 3.58Å; F174-K197 WeakPolarHBondContact O-CA 3.43Å; F174-K197 WeakPolarHBondContact O-CB 3.49Å; F174-K197 WeakPolarHBondContact O-CD 3.05Å; F174-R198 HydrophobicContact CB-CB 3.91Å; F174-R198 PolarHBondContact O-N 2.81Å; F174-Y319 HydrophobicContact CD2-CD1 4.47Å; F174-Y319 AromaticContact CD2-CE1 3.68Å; F174-Y319 HydrophobicContact CD2-CE1 3.68Å; F174-Y319 HydrophobicContact CE2-CD1 4.37Å; F174-Y319 AromaticContact CE2-CE1 3.82Å; F174-Y319 HydrophobicContact CE2-CE1 3.82Å
175S88.3Confident90.4Very high45 Ų4552.2 Ų52.232%0.31527%0.269SS..EExtended strand (participates in β ladder)trans-61.3134164.6-61.20000109.3D126 K197D126-S175 PolarHBondContact OD2-OG 2.85Å; S175-K197 PolarHBondContact OG-NZ 2.83Å
176A87Confident90.7Very high12 Ų1248 Ų4810%0.09926%0.256CS..  trans-134157.2-177.800000109.8F174 F181 P196 R198F174-A176 PolarHBondContact O-N 3.24Å; A176-F181 HydrophobicContact CB-CD2 4.22Å; A176-F181 HydrophobicContact CB-CE2 3.43Å; A176-F181 VanDerWaalsContact CB-CE2 3.43Å; A176-F181 HydrophobicContact CB-CZ 4.17Å; A176-P196 PolarHBondContact N-O 3.36Å; A176-P196 WeakPolarHBondContact O-CG 3.12Å; A176-R198 HydrophobicContact CB-CB 4.01Å
177D83.2Confident90.8Very high81 Ų8148 Ų4843%0.43327%0.265SS..  trans-75.6132.6-178-65.1-25.9000110.2I179 E180 F181D177-I179 PolarHBondContact O-N 3.16Å; D177-E180 HydrophobicContact CB-CG 4.34Å; D177-E180 PolarHBondContact O-N 2.74Å; D177-E180 VanDerWaalsContact O-N 3.11Å; D177-F181 WeakPolarHBondContact O-CD2 3.44Å
178P84.2Confident90.8Very high62 Ų6252 Ų5240%0.40329%0.285SS..THydrogen-bonded Turntrans-57.7-19.9-179.3-24.231000115C186 P196P178-C186 PolarHBondContact O-SG 2.64Å; P178-P196 HydrophobicContact CB-CG 4.05Å; P178-P196 HydrophobicContact CG-CG 3.74Å
179I82.6Confident90.7Very high70 Ų7051.4 Ų51.436%0.35928%0.283SS..THydrogen-bonded Turntrans-78.3-30-177.6-61.2171.5000111.7D177 F181D177-I179 PolarHBondContact O-N 3.16Å; I179-F181 PolarHBondContact O-N 3.05Å
180E84.3Confident90.3Very high103 Ų10359.2 Ų59.248%0.48132%0.317SS..SBendtrans-66.9-20.1178.2-66.2-169.1159.300112.1D177 R198D177-E180 HydrophobicContact CB-CG 4.34Å; D177-E180 PolarHBondContact O-N 2.74Å; D177-E180 VanDerWaalsContact O-N 3.11Å; E180-R198 IonicContact OE2-NH1 2.8Å; E180-R198 PolarHBondContact OE2-NH1 2.78Å
181F88.7Confident89.9Confident52 Ų5264.7 Ų64.723%0.22834%0.341CS..SBendtrans-117.6160.9-169.8-63.6-82.4000113.2A176 D177 I179 W185 R198A176-F181 HydrophobicContact CB-CD2 4.22Å; A176-F181 HydrophobicContact CB-CE2 3.43Å; A176-F181 VanDerWaalsContact CB-CE2 3.43Å; A176-F181 HydrophobicContact CB-CZ 4.17Å; D177-F181 WeakPolarHBondContact O-CD2 3.44Å; I179-F181 PolarHBondContact O-N 3.05Å; F181-W185 HydrophobicContact CB-CB 4.12Å; F181-W185 HydrophobicContact CB-CG 4.1Å; F181-W185 AromaticContact CD1-CD1 3.51Å; F181-W185 HydrophobicContact CD1-CD2 4.45Å; F181-W185 HydrophobicContact CD1-CG 4Å; F181-W185 AromaticContact CD1-NE1 3.69Å; F181-W185 AromaticContact CG-CD1 3.53Å; F181-W185 HydrophobicContact CG-CG 4.26Å; F181-R198 HydrophobicContact CZ-CB 4.4Å; F181-R198 HydrophobicContact CZ-CG 4.1Å
182T91.4Very high89.5Confident84 Ų8465.3 Ų65.352%0.51535%0.346SS..  trans-69.615417559.10000111.1E184 W185 C186T182-E184 PolarHBondContact O-N 3.32Å; T182-W185 WeakPolarHBondContact O-CB 2.91Å; T182-W185 PolarHBondContact O-N 3.22Å; T182-W185 PolarHBondContact OG1-N 2.99Å; T182-C186 PolarHBondContact O-N 2.96Å
183S89Confident89Confident102 Ų10268.3 Ų68.371%0.71338%0.377SS*.Hα-helixtrans-55.9-36.5175.4570000112.6C186 G187S183-C186 PolarHBondContact O-N 3.22Å; S183-G187 PolarHBondContact O-N 3Å
184E94.3Very high88.7Confident160 Ų16069.1 Ų69.175%0.74838%0.382SS*.Hα-helixtrans-62.3-44.8175.1-63.1-179.2169.500112.2T182 G187 L188T182-E184 PolarHBondContact O-N 3.32Å; E184-G187 PolarHBondContact O-N 2.84Å; E184-L188 PolarHBondContact O-N 3.48Å
185W93.5Very high88.5Confident74 Ų7468 Ų6828%0.2838%0.38SS..Hα-helixtrans-63.3-46.8177.1-175.4-94.6000110.9F181 T182 G187 L188 F189 K197 I200F181-W185 HydrophobicContact CB-CB 4.12Å; F181-W185 HydrophobicContact CB-CG 4.1Å; F181-W185 AromaticContact CD1-CD1 3.51Å; F181-W185 HydrophobicContact CD1-CD2 4.45Å; F181-W185 HydrophobicContact CD1-CG 4Å; F181-W185 AromaticContact CD1-NE1 3.69Å; F181-W185 AromaticContact CG-CD1 3.53Å; F181-W185 HydrophobicContact CG-CG 4.26Å; T182-W185 WeakPolarHBondContact O-CB 2.91Å; T182-W185 PolarHBondContact O-N 3.22Å; T182-W185 PolarHBondContact OG1-N 2.99Å; W185-G187 PolarHBondContact O-N 3.15Å; W185-L188 HydrophobicContact CE3-CD1 4.2Å; W185-L188 WeakPolarHBondContact O-CB 3.34Å; W185-L188 PolarHBondContact O-N 2.73Å; W185-F189 AromaticContact CD1-CE2 3.83Å; W185-F189 HydrophobicContact CG-CE2 4.47Å; W185-F189 AromaticContact NE1-CE2 3.64Å; W185-F189 AromaticContact NE1-CZ 3.97Å; W185-F189 VanDerWaalsContact O-CD2 3.22Å; W185-F189 WeakPolarHBondContact O-CD2 3.28Å; W185-F189 VanDerWaalsContact O-CE2 3.24Å; W185-F189 WeakPolarHBondContact O-CE2 3.37Å; W185-K197 PolarHBondContact NE1-O 3.33Å; W185-I200 HydrophobicContact CH2-CB 4.28Å; W185-I200 HydrophobicContact CH2-CD1 3.67Å; W185-I200 HydrophobicContact CH2-CG1 3.96Å; W185-I200 HydrophobicContact CZ2-CD1 3.63Å; W185-I200 HydrophobicContact CZ2-CG1 3.79Å; W185-I200 HydrophobicContact CZ3-CD1 4.26Å
186C90.7Very high88.6Confident21 Ų2166.4 Ų66.414%0.14237%0.368CS..Hα-helixtrans-61.7-33.7175.4-66.40000112.1P178 T182 S183 L188 F189P178-C186 PolarHBondContact O-SG 2.64Å; T182-C186 PolarHBondContact O-N 2.96Å; S183-C186 PolarHBondContact O-N 3.22Å; C186-L188 PolarHBondContact O-N 3.11Å; C186-F189 PolarHBondContact O-N 2.84Å
187G92Very high88.9Confident29 Ų2965.9 Ų65.930%0.29936%0.363SS..Hα-helixtrans-57.4-32.3176.200000113.9S183 E184 W185 F189 K190S183-G187 PolarHBondContact O-N 3Å; E184-G187 PolarHBondContact O-N 2.84Å; W185-G187 PolarHBondContact O-N 3.15Å; G187-F189 PolarHBondContact O-N 3.41Å; G187-F189 VanDerWaalsContact O-N 3.16Å; G187-K190 PolarHBondContact O-N 2.53Å
188L92.5Very high89.4Confident84 Ų8467.9 Ų67.944%0.4437%0.365SS..Hα-helixtrans-61.5-24.4-179.9-63.3175000113.8I130 E184 W185 C186 I200I130-L188 WeakPolarHBondContact CG2-O 3.46Å; E184-L188 PolarHBondContact O-N 3.48Å; W185-L188 HydrophobicContact CE3-CD1 4.2Å; W185-L188 WeakPolarHBondContact O-CB 3.34Å; W185-L188 PolarHBondContact O-N 2.73Å; C186-L188 PolarHBondContact O-N 3.11Å; L188-I200 HydrophobicContact CD1-CD1 3.99Å
189F91.7Very high89.9Confident1 Ų168.4 Ų68.40%0.00436%0.361CS..Hα-helixtrans-100.3-13.9-174.4-54.5-90.2000113.1I130 W185 C186 G187 E191 A192 G193 I194 P196 K197 I200I130-F189 HydrophobicContact CD1-CD1 3.88Å; I130-F189 HydrophobicContact CD1-CE1 3.39Å; I130-F189 HydrophobicContact CD1-CZ 4.29Å; I130-F189 HydrophobicContact CG1-CD1 3.99Å; I130-F189 HydrophobicContact CG1-CE1 4.01Å; I130-F189 HydrophobicContact CG2-CD1 4.45Å; W185-F189 AromaticContact CD1-CE2 3.83Å; W185-F189 HydrophobicContact CG-CE2 4.47Å; W185-F189 AromaticContact NE1-CE2 3.64Å; W185-F189 AromaticContact NE1-CZ 3.97Å; W185-F189 VanDerWaalsContact O-CD2 3.22Å; W185-F189 WeakPolarHBondContact O-CD2 3.28Å; W185-F189 VanDerWaalsContact O-CE2 3.24Å; W185-F189 WeakPolarHBondContact O-CE2 3.37Å; C186-F189 PolarHBondContact O-N 2.84Å; G187-F189 PolarHBondContact O-N 3.41Å; G187-F189 VanDerWaalsContact O-N 3.16Å; F189-E191 PolarHBondContact O-N 2.48Å; F189-A192 PolarHBondContact O-N 3.48Å; F189-A192 VanDerWaalsContact O-N 3.14Å; F189-G193 PolarHBondContact O-N 3Å; F189-G193 VanDerWaalsContact O-N 3.09Å; F189-I194 WeakPolarHBondContact CB-O 3.47Å; F189-I194 PolarHBondContact O-N 3.22Å; F189-P196 HydrophobicContact CD2-CB 3.89Å; F189-P196 HydrophobicContact CE2-CB 4.04Å; F189-K197 HydrophobicContact CD1-CB 4.46Å; F189-K197 HydrophobicContact CD1-CG 4.12Å; F189-K197 HydrophobicContact CE1-CB 3.49Å; F189-K197 VanDerWaalsContact CE1-CB 3.49Å; F189-K197 HydrophobicContact CE1-CG 3.56Å; F189-K197 VanDerWaalsContact CE1-N 3.31Å; F189-K197 HydrophobicContact CZ-CB 3.77Å; F189-K197 HydrophobicContact CZ-CG 4.32Å; F189-I200 HydrophobicContact CE1-CD1 4.17Å; F189-I200 HydrophobicContact CE1-CG1 4.31Å; F189-I200 HydrophobicContact CE2-CD1 4.23Å; F189-I200 HydrophobicContact CZ-CD1 3.55Å; F189-I200 HydrophobicContact CZ-CG1 3.89Å
190K88Confident90.6Very high163 Ų16366.3 Ų66.371%0.70935%0.35SS*.Hα-helixtrans-60.6-43.6-177.1-70.1-176179.5-1790112.3G187 A192 G193G187-K190 PolarHBondContact O-N 2.53Å; K190-A192 PolarHBondContact O-N 2.91Å; K190-G193 PolarHBondContact O-N 3.21Å; K190-G193 VanDerWaalsContact O-N 3.1Å
191E87Confident91.1Very high162 Ų16262.4 Ų62.476%0.75733%0.334SS*.THydrogen-bonded Turntrans-60.6-32.7178.1-69.3-179.5179.600112.3F189F189-E191 PolarHBondContact O-N 2.48Å
192A87.8Confident91.4Very high13 Ų1366.3 Ų66.311%0.10735%0.348CS..THydrogen-bonded Turntrans-86.8-11.3179.300000113.3F189 K190 I194 P213F189-A192 PolarHBondContact O-N 3.48Å; F189-A192 VanDerWaalsContact O-N 3.14Å; K190-A192 PolarHBondContact O-N 2.91Å; A192-I194 VanDerWaalsContact C-N 3.29Å; A192-I194 HydrophobicContact CB-CD1 3.61Å; A192-I194 HydrophobicContact CB-CG1 4.01Å; A192-I194 PolarHBondContact O-N 2.81Å; A192-P213 HydrophobicContact CB-CB 3.9Å
193G86.9Confident91.6Very high64 Ų6463 Ų6366%0.6633%0.326SS*.THydrogen-bonded Turntrans67.823.8-176.800000114.4F189 K190F189-G193 PolarHBondContact O-N 3Å; F189-G193 VanDerWaalsContact O-N 3.09Å; K190-G193 PolarHBondContact O-N 3.21Å; K190-G193 VanDerWaalsContact O-N 3.1Å
194I86.8Confident91.8Very high17 Ų1759.2 Ų59.29%0.08730%0.298CS..  trans-106.3147.8-177.2-52.2155.9000109.3H128 F189 A192 K197H128-I194 HydrophobicContact CB-CD1 3.48Å; H128-I194 VanDerWaalsContact CB-CD1 3.48Å; H128-I194 HydrophobicContact CB-CG1 4.36Å; H128-I194 HydrophobicContact CB-CG2 4.25Å; F189-I194 WeakPolarHBondContact CB-O 3.47Å; F189-I194 PolarHBondContact O-N 3.22Å; A192-I194 VanDerWaalsContact C-N 3.29Å; A192-I194 HydrophobicContact CB-CD1 3.61Å; A192-I194 HydrophobicContact CB-CG1 4.01Å; A192-I194 PolarHBondContact O-N 2.81Å; I194-K197 VanDerWaalsContact CG2-CE 3.43Å
195P87.6Confident91.8Very high30 Ų3051.6 Ų51.620%0.19526%0.262CS..PPolyproline II helixtrans-54.7151.8165.124.8-38.1000112.4L72 K197L72-P195 HydrophobicContact CD2-CB 3.84Å; L72-P195 HydrophobicContact CD2-CG 3.72Å; P195-K197 PolarHBondContact O-N 3.48Å
196P90.9Very high91.9Very high11 Ų1148.1 Ų48.17%0.07125%0.249CC..PPolyproline II helixtrans-62.3139-179.823.9-28.6000110.9A176 P178 F189A176-P196 PolarHBondContact N-O 3.36Å; A176-P196 WeakPolarHBondContact O-CG 3.12Å; P178-P196 HydrophobicContact CB-CG 4.05Å; P178-P196 HydrophobicContact CG-CG 3.74Å; F189-P196 HydrophobicContact CD2-CB 3.89Å; F189-P196 HydrophobicContact CE2-CB 4.04Å
197K92.9Very high92Very high0 Ų050.6 Ų50.60%027%0.265CS..EExtended strand (participates in β ladder)trans-103.1142.1-179.9-55.2-68.8179.6173.30111.5D126 H128 F174 S175 W185 F189 I194 P195D126-K197 IonicContact OD1-NZ 2.73Å; D126-K197 PolarHBondContact OD1-NZ 3.44Å; D126-K197 VanDerWaalsContact OD1-NZ 3.12Å; D126-K197 IonicContact OD2-NZ 3.12Å; D126-K197 PolarHBondContact OD2-NZ 2.77Å; H128-K197 PolarHBondContact ND1-NZ 3.36Å; F174-K197 CarbonylContact O-C 3.58Å; F174-K197 WeakPolarHBondContact O-CA 3.43Å; F174-K197 WeakPolarHBondContact O-CB 3.49Å; F174-K197 WeakPolarHBondContact O-CD 3.05Å; S175-K197 PolarHBondContact OG-NZ 2.83Å; W185-K197 PolarHBondContact NE1-O 3.33Å; F189-K197 HydrophobicContact CD1-CB 4.46Å; F189-K197 HydrophobicContact CD1-CG 4.12Å; F189-K197 HydrophobicContact CE1-CB 3.49Å; F189-K197 VanDerWaalsContact CE1-CB 3.49Å; F189-K197 HydrophobicContact CE1-CG 3.56Å; F189-K197 VanDerWaalsContact CE1-N 3.31Å; F189-K197 HydrophobicContact CZ-CB 3.77Å; F189-K197 HydrophobicContact CZ-CG 4.32Å; I194-K197 VanDerWaalsContact CG2-CE 3.43Å; P195-K197 PolarHBondContact O-N 3.48Å
198R94.2Very high92Very high124 Ų12450.8 Ų50.847%0.46826%0.259SS..EExtended strand (participates in β ladder)trans-68.1-37.5-179.7-170165.5-175.6109.5-4112.1A173 F174 A176 E180 F181 Y319A173-R198 PolarHBondContact O-N 2.92Å; F174-R198 HydrophobicContact CB-CB 3.91Å; F174-R198 PolarHBondContact O-N 2.81Å; A176-R198 HydrophobicContact CB-CB 4.01Å; E180-R198 IonicContact OE2-NH1 2.8Å; E180-R198 PolarHBondContact OE2-NH1 2.78Å; F181-R198 HydrophobicContact CZ-CB 4.4Å; F181-R198 HydrophobicContact CZ-CG 4.1Å; R198-Y319 WeakPolarHBondContact CD-OH 3.41Å
199K95.6Very high92.1Very high72 Ų7246.8 Ų46.831%0.31324%0.238SC..EExtended strand (participates in β ladder)trans-125.3127.1-177.5-174.963.7-174.1164.90111.6I100 G172 A173 Y319I100-K199 HydrophobicContact CG2-CG 4.32Å; G172-K199 CarbonylContact C-O 3.53Å; G172-K199 VanDerWaalsContact CA-O 3.32Å; G172-K199 WeakPolarHBondContact CA-O 3.2Å; A173-K199 PolarHBondContact N-O 3.38Å; A173-K199 PolarHBondContact O-N 3.25Å; K199-Y319 HydrophobicContact CB-CD1 4.14Å; K199-Y319 HydrophobicContact CB-CD2 4.4Å; K199-Y319 HydrophobicContact CB-CE1 3.99Å; K199-Y319 HydrophobicContact CB-CE2 4.24Å; K199-Y319 HydrophobicContact CB-CG 4.35Å; K199-Y319 HydrophobicContact CD-CD2 3.98Å; K199-Y319 HydrophobicContact CD-CE2 4.31Å; K199-Y319 HydrophobicContact CD-CG 4.3Å; K199-Y319 HydrophobicContact CG-CD1 4.12Å; K199-Y319 HydrophobicContact CG-CD2 4.05Å; K199-Y319 HydrophobicContact CG-CE1 4.45Å; K199-Y319 HydrophobicContact CG-CE2 4.37Å; K199-Y319 HydrophobicContact CG-CG 3.92Å
200I96.1Very high92.2Very high26 Ų2647.1 Ų47.113%0.13324%0.241CC..EExtended strand (participates in β ladder)trans-111144169.9-59.4175.1000109.3I130 L170 V171 W185 L188 F189I130-I200 HydrophobicContact CD1-CD1 4.22Å; I130-I200 HydrophobicContact CD1-CG1 4.01Å; I130-I200 HydrophobicContact CD1-CG2 4.43Å; L170-I200 HydrophobicContact CD1-CG2 3.99Å; L170-I200 HydrophobicContact CD2-CD1 4.31Å; L170-I200 HydrophobicContact CD2-CG2 3.37Å; L170-I200 HydrophobicContact CG-CG2 3.47Å; L170-I200 VanDerWaalsContact CG-CG2 3.47Å; V171-I200 WeakPolarHBondContact O-CA 3.44Å; W185-I200 HydrophobicContact CH2-CB 4.28Å; W185-I200 HydrophobicContact CH2-CD1 3.67Å; W185-I200 HydrophobicContact CH2-CG1 3.96Å; W185-I200 HydrophobicContact CZ2-CD1 3.63Å; W185-I200 HydrophobicContact CZ2-CG1 3.79Å; W185-I200 HydrophobicContact CZ3-CD1 4.26Å; L188-I200 HydrophobicContact CD1-CD1 3.99Å; F189-I200 HydrophobicContact CE1-CD1 4.17Å; F189-I200 HydrophobicContact CE1-CG1 4.31Å; F189-I200 HydrophobicContact CE2-CD1 4.23Å; F189-I200 HydrophobicContact CZ-CD1 3.55Å; F189-I200 HydrophobicContact CZ-CG1 3.89Å
201S95.9Very high92.4Very high22 Ų2239.5 Ų39.515%0.15421%0.208CC..EExtended strand (participates in β ladder)trans-141.3165.2165.1-163.10000111.1V171 L321V171-S201 PolarHBondContact N-O 2.88Å; V171-S201 PolarHBondContact O-N 3.28Å; S201-L321 WeakPolarHBondContact OG-CD1 3.24Å; S201-L321 WeakPolarHBondContact OG-CD2 3.09Å
202R94.4Very high92.5Very high134 Ų13433.9 Ų33.951%0.50618%0.181SC..EExtended strand (participates in β ladder)trans-111.5138.2176.558.8171-178.776.80.2111I168 Q169I168-R202 HydrophobicContact CG2-CB 3.71Å; Q169-R202 CarbonylContact O-C 3.56Å; Q169-R202 WeakPolarHBondContact O-CA 3.27Å
203F95.7Very high92.7Very high13 Ų1335.1 Ų35.16%0.05719%0.188CC..EExtended strand (participates in β ladder)trans-115.6144.8171.9-65.2-80.4000109.6G98 L99 I100 I168 Q169 V171 V205 L321 N323G98-F203 WeakPolarHBondContact O-CE2 3.18Å; L99-F203 WeakPolarHBondContact O-CZ 3.38Å; I100-F203 HydrophobicContact CG1-CE2 4.16Å; I100-F203 HydrophobicContact CG1-CZ 4.27Å; I168-F203 WeakPolarHBondContact CA-O 3.28Å; Q169-F203 PolarHBondContact N-O 3.33Å; Q169-F203 PolarHBondContact O-N 2.79Å; V171-F203 HydrophobicContact CB-CD2 4.09Å; V171-F203 HydrophobicContact CB-CE2 3.95Å; V171-F203 HydrophobicContact CG1-CE2 4.46Å; V171-F203 HydrophobicContact CG2-CD2 3.74Å; V171-F203 HydrophobicContact CG2-CE2 4.02Å; F203-V205 HydrophobicContact CB-CG2 4.12Å; F203-L321 HydrophobicContact CE1-CB 4.24Å; F203-L321 HydrophobicContact CZ-CB 4.35Å; F203-L321 HydrophobicContact CZ-CD2 4.02Å; F203-N323 HydrophobicContact CD1-CB 4.45Å; F203-N323 HydrophobicContact CE1-CB 4.45Å
204L94Very high92.8Very high23 Ų2332.1 Ų32.112%0.1216%0.158CC..EExtended strand (participates in β ladder)trans-83.2122.2170.7-62.7178.4000107.1Q95 W160 W166 G167 I168 W326Q95-L204 WeakPolarHBondContact CG-O 3.42Å; W160-L204 HydrophobicContact CD2-CD1 4.38Å; W160-L204 HydrophobicContact CE3-CD2 4.21Å; W160-L204 HydrophobicContact CH2-CD2 3.62Å; W160-L204 HydrophobicContact CZ2-CD1 4.4Å; W160-L204 HydrophobicContact CZ2-CD2 4.13Å; W160-L204 HydrophobicContact CZ3-CD2 3.65Å; W166-L204 HydrophobicContact CB-CB 4.17Å; W166-L204 HydrophobicContact CE3-CB 4.38Å; W166-L204 HydrophobicContact CE3-CD1 3.85Å; W166-L204 HydrophobicContact CG-CB 4.47Å; W166-L204 HydrophobicContact CZ3-CD1 4.21Å; G167-L204 WeakPolarHBondContact O-CA 3.02Å; I168-L204 HydrophobicContact CG1-CD2 4.29Å; L204-W326 HydrophobicContact CD1-CH2 3.9Å; L204-W326 HydrophobicContact CD1-CZ2 4.03Å
205V94.7Very high92.9Very high0 Ų032 Ų320%016%0.157CC..EExtended strand (participates in β ladder)trans-132.6138.2-172.6177.90000108.6Q95 C97 W166 G167 Q169 F203 A209Q95-V205 CarbonylContact O-C 3.51Å; Q95-V205 VanDerWaalsContact O-CA 3.28Å; Q95-V205 WeakPolarHBondContact O-CA 3.17Å; Q95-V205 WeakPolarHBondContact O-CG1 3.49Å; C97-V205 HydrophobicContact CB-CG2 3.93Å; W166-V205 CarbonylContact C-O 3.14Å; W166-V205 WeakPolarHBondContact CA-O 3.32Å; G167-V205 WeakPolarHBondContact CA-O 3.39Å; G167-V205 PolarHBondContact N-O 2.95Å; G167-V205 PolarHBondContact O-N 3.16Å; Q169-V205 HydrophobicContact CB-CB 4.15Å; Q169-V205 HydrophobicContact CB-CG2 3.53Å; F203-V205 HydrophobicContact CB-CG2 4.12Å; V205-A209 HydrophobicContact CG1-CB 4.09Å; V205-A209 WeakPolarHBondContact CG1-O 3.47Å
206S93.8Very high93Very high1 Ų132.2 Ų32.21%0.00716%0.159CC..  trans-76.7150.9174.957.30000110.5T94 Q95 D208 A209 A210T94-S206 WeakPolarHBondContact CA-OG 3.43Å; Q95-S206 PolarHBondContact N-OG 3.11Å; Q95-S206 PolarHBondContact O-N 2.89Å; Q95-S206 PolarHBondContact O-OG 3.33Å; S206-D208 VanDerWaalsContact C-OD1 3.29Å; S206-D208 WeakPolarHBondContact CB-OD1 3.5Å; S206-D208 PolarHBondContact O-N 2.9Å; S206-D208 VanDerWaalsContact O-N 3.17Å; S206-D208 PolarHBondContact OG-OD1 3.36Å; S206-A209 PolarHBondContact O-N 3Å; S206-A210 PolarHBondContact O-N 3.03Å
207P92.9Very high93.1Very high74 Ų7432.1 Ų32.148%0.48116%0.158SC..G310 helixtrans-59.3-30-173-25.234.7000115.6Y132 P135 A209 A210Y132-P207 WeakPolarHBondContact OH-CA 3.49Å; P135-P207 HydrophobicContact CG-CG 3.78Å; P207-A209 VanDerWaalsContact C-N 3.31Å; P207-A210 WeakPolarHBondContact O-CB 3.45Å
208D92.4Very high93.1Very high32 Ų3234.5 Ų34.517%0.17117%0.174CC..G310 helixtrans-68.2-25174.657.4-33.3000113.7V87 T90 T94 S206V87-D208 HydrophobicContact CB-CB 4.07Å; V87-D208 HydrophobicContact CG1-CB 4.09Å; V87-D208 HydrophobicContact CG2-CB 4.38Å; T90-D208 PolarHBondContact OG1-OD2 3.41Å; T94-D208 VanDerWaalsContact CB-OD2 3.3Å; T94-D208 WeakPolarHBondContact CB-OD2 3.41Å; T94-D208 WeakPolarHBondContact CG2-OD2 3.26Å; T94-D208 PolarHBondContact OG1-OD2 3.4Å; S206-D208 VanDerWaalsContact C-OD1 3.29Å; S206-D208 WeakPolarHBondContact CB-OD1 3.5Å; S206-D208 PolarHBondContact O-N 2.9Å; S206-D208 VanDerWaalsContact O-N 3.17Å; S206-D208 PolarHBondContact OG-OD1 3.36Å
209A94Very high93.1Very high0 Ų028.8 Ų28.80%015%0.154CC..G310 helixtrans-108.618.1179.200000112.9T94 R96 V205 S206 P207 V341T94-A209 HydrophobicContact CG2-CB 4.03Å; R96-A209 HydrophobicContact CB-CB 4.19Å; V205-A209 HydrophobicContact CG1-CB 4.09Å; V205-A209 WeakPolarHBondContact CG1-O 3.47Å; S206-A209 PolarHBondContact O-N 3Å; P207-A209 VanDerWaalsContact C-N 3.31Å; A209-V341 HydrophobicContact CB-CG1 4.19Å
210A93.7Very high93Very high9 Ų927.2 Ų27.27%0.07415%0.148CC..  trans-67.8143.3178.700000111.1W84 Y132 S206 P207W84-A210 HydrophobicContact CE3-CB 4.19Å; W84-A210 HydrophobicContact CZ3-CB 3.67Å; Y132-A210 HydrophobicContact CD1-CB 3.8Å; Y132-A210 HydrophobicContact CD2-CB 3.88Å; Y132-A210 HydrophobicContact CE1-CB 3.62Å; Y132-A210 HydrophobicContact CE2-CB 3.72Å; Y132-A210 HydrophobicContact CG-CB 3.92Å; S206-A210 PolarHBondContact O-N 3.03Å; P207-A210 WeakPolarHBondContact O-CB 3.45Å
211L92.5Very high93Very high3 Ų326 Ų262%0.01614%0.142CC..  trans-109.3139.6-178.8-71.3160000110.9W84 C97 A129 Q169 T215 L217 P342 T343W84-L211 VanDerWaalsContact CZ3-C 3.46Å; C97-L211 HydrophobicContact CB-CD1 3.78Å; A129-L211 HydrophobicContact CB-CB 3.87Å; A129-L211 HydrophobicContact CB-CD1 4.4Å; Q169-L211 PolarHBondContact NE2-O 2.74Å; L211-T215 HydrophobicContact CD2-CG2 4.12Å; L211-L217 HydrophobicContact CD1-CD2 3.87Å; L211-P342 HydrophobicContact CD2-CB 3.77Å; L211-P342 HydrophobicContact CD2-CG 3.77Å; L211-P342 HydrophobicContact CG-CB 4.24Å; L211-T343 HydrophobicContact CD1-CG2 3.6Å; L211-T343 HydrophobicContact CD2-CG2 3.55Å; L211-T343 HydrophobicContact CG-CG2 4.08Å
212K90.6Very high93Very high43 Ų4325 Ų2519%0.18714%0.135CC..  trans-62.5140.2172.6-162.9173-174.6172.10109.2I80 E82 A129 G214 T215I80-K212 HydrophobicContact CB-CD 4.02Å; I80-K212 HydrophobicContact CD1-CD 3.64Å; I80-K212 HydrophobicContact CD1-CG 3.9Å; I80-K212 HydrophobicContact CG1-CD 4.44Å; I80-K212 HydrophobicContact CG2-CD 4.08Å; E82-K212 VanDerWaalsContact O-CD 3.31Å; E82-K212 WeakPolarHBondContact O-CD 3.22Å; E82-K212 PolarHBondContact O-NZ 3.49Å; A129-K212 WeakPolarHBondContact CB-O 3.41Å; K212-G214 PolarHBondContact O-N 3.21Å; K212-T215 PolarHBondContact O-N 2.8Å; K212-T215 PolarHBondContact O-OG1 2.72Å
213P90.6Very high93Very high39 Ų3922 Ų2225%0.25312%0.124SC..THydrogen-bonded Turntrans-56.3139.3169.328-38.5000109.4I80 A129 I130 A192I80-P213 WeakPolarHBondContact CD1-O 3.5Å; A129-P213 CarbonylContact O-C 3.58Å; A129-P213 WeakPolarHBondContact O-CA 3.46Å; I130-P213 WeakPolarHBondContact O-CB 3.1Å; A192-P213 HydrophobicContact CB-CB 3.9Å
214G88.6Confident93.1Very high2 Ų223 Ų232%0.02113%0.131CC..THydrogen-bonded Turntrans99.2-18-175.600000114.8H128 A129 K212 P216H128-G214 PolarHBondContact CD2-O 3.08Å; A129-G214 PolarHBondContact O-N 2.93Å; K212-G214 PolarHBondContact O-N 3.21Å; G214-P216 WeakPolarHBondContact O-CD 3.38Å
215T89.6Confident93.2Very high13 Ų1322.9 Ų22.98%0.0814%0.136CC..  trans-69.4125.7-174.6-55.30000112.1H128 A129 L211 K212 F345H128-T215 WeakPolarHBondContact CA-O 3.4Å; A129-T215 PolarHBondContact N-O 2.93Å; L211-T215 HydrophobicContact CD2-CG2 4.12Å; K212-T215 PolarHBondContact O-N 2.8Å; K212-T215 PolarHBondContact O-OG1 2.72Å; T215-F345 HydrophobicContact CG2-CE1 3.78Å; T215-F345 HydrophobicContact CG2-CZ 4.33Å
216P90.2Very high93.2Very high36 Ų3623.7 Ų23.723%0.23414%0.14CC..EExtended strand (participates in β ladder)trans-74.1147.5174.932.5-37.2000111.1G214G214-P216 WeakPolarHBondContact O-CD 3.38Å
217L92.9Very high93.4Very high9 Ų925.9 Ų25.95%0.04715%0.149CC..EExtended strand (participates in β ladder)trans-121.8112179.8-61.2176.4000110.6L99 N127 V171 L211 T343L99-L217 HydrophobicContact CD2-CB 3.52Å; L99-L217 HydrophobicContact CD2-CD1 3.79Å; L99-L217 HydrophobicContact CD2-CG 4.17Å; N127-L217 HydrophobicContact CB-CB 3.86Å; N127-L217 PolarHBondContact O-N 2.78Å; V171-L217 HydrophobicContact CG1-CD1 3.96Å; V171-L217 HydrophobicContact CG2-CD1 4.09Å; L211-L217 HydrophobicContact CD1-CD2 3.87Å; L217-T343 HydrophobicContact CD2-CG2 3.29Å
218S92.4Very high93.6Very high49 Ų4922.4 Ų22.434%0.34313%0.126SC..  trans-94.2173.6178.966.30000112.6N220 H221S218-N220 PolarHBondContact O-N 2.82Å; S218-H221 VanDerWaalsContact O-CB 3.27Å; S218-H221 WeakPolarHBondContact O-CB 3.45Å; S218-H221 PolarHBondContact O-N 3.33Å
219V94.7Very high93.8Very high5 Ų521 Ų213%0.0312%0.119CC..G310 helixtrans-59.9-37175.6-173.40000112.8I124 H221 F222 I299 G304 I306I124-V219 HydrophobicContact CB-CG2 4.01Å; I124-V219 HydrophobicContact CD1-CB 4.03Å; I124-V219 HydrophobicContact CD1-CG1 3.98Å; I124-V219 HydrophobicContact CD1-CG2 3.79Å; I124-V219 HydrophobicContact CG1-CG2 4.38Å; V219-H221 PolarHBondContact O-N 2.92Å; V219-F222 PolarHBondContact O-N 3.21Å; V219-I299 HydrophobicContact CB-CG2 4.4Å; V219-I299 HydrophobicContact CG1-CB 4.41Å; V219-I299 HydrophobicContact CG1-CD1 4.43Å; V219-I299 HydrophobicContact CG1-CG1 4.29Å; V219-I299 HydrophobicContact CG1-CG2 3.47Å; V219-I299 VanDerWaalsContact CG1-CG2 3.47Å; V219-G304 WeakPolarHBondContact CG2-O 3.29Å; V219-I306 HydrophobicContact CG1-CD1 3.94Å; V219-I306 HydrophobicContact CG1-CG1 3.49Å; V219-I306 VanDerWaalsContact CG1-CG1 3.49Å
220N93.7Very high94Very high38 Ų3821 Ų2120%0.20312%0.119CC..G310 helixtrans-63.5-6.8-178.2-65.8-8.7000113S218 F222 Y344S218-N220 PolarHBondContact O-N 2.82Å; N220-F222 CarbonylContact C-O 3.46Å; N220-F222 PolarHBondContact O-N 2.91Å; N220-Y344 HydrophobicContact CB-CD1 3.34Å; N220-Y344 HydrophobicContact CB-CD2 4.05Å; N220-Y344 HydrophobicContact CB-CE1 3.67Å; N220-Y344 HydrophobicContact CB-CE2 4.35Å; N220-Y344 HydrophobicContact CB-CG 3.53Å; N220-Y344 WeakPolarHBondContact ND2-CE1 3.4Å; N220-Y344 VanDerWaalsContact O-CB 3.28Å; N220-Y344 WeakPolarHBondContact O-CB 3.48Å
221H94.9Very high94.2Very high1 Ų121.8 Ų21.81%0.00512%0.122CC..G310 helixtrans-51.1-40.9162.6-173.966.1000111.2R96 C97 L99 S218 V219 P342 T343R96-H221 PolarHBondContact NH1-O 2.64Å; C97-H221 PolarHBondContact O-NE2 3.38Å; L99-H221 HydrophobicContact CD1-CB 4.07Å; L99-H221 HydrophobicContact CD2-CB 4.46Å; S218-H221 VanDerWaalsContact O-CB 3.27Å; S218-H221 WeakPolarHBondContact O-CB 3.45Å; S218-H221 PolarHBondContact O-N 3.33Å; V219-H221 PolarHBondContact O-N 2.92Å; H221-P342 PolarHBondContact CE1-O 2.94Å; H221-T343 WeakPolarHBondContact ND1-CA 3.4Å; H221-T343 WeakPolarHBondContact ND1-CG2 3.16Å
222F96.5Very high94.5Very high2 Ų221.7 Ų21.71%0.00912%0.122CC..SBendtrans-98.2153.2172.4-58.6-64.9000111.4L99 V219 N220 L228 I296 I299 I306 L322 D324L99-F222 HydrophobicContact CB-CE2 3.99Å; L99-F222 HydrophobicContact CD1-CD2 3.8Å; L99-F222 HydrophobicContact CD1-CE2 3.54Å; L99-F222 HydrophobicContact CG-CD2 4.34Å; L99-F222 HydrophobicContact CG-CE2 3.6Å; L99-F222 HydrophobicContact CG-CZ 4.19Å; V219-F222 PolarHBondContact O-N 3.21Å; N220-F222 CarbonylContact C-O 3.46Å; N220-F222 PolarHBondContact O-N 2.91Å; F222-L228 HydrophobicContact CD1-CD2 3.48Å; F222-L228 VanDerWaalsContact CD1-CD2 3.48Å; F222-L228 HydrophobicContact CD2-CD2 4.39Å; F222-L228 HydrophobicContact CE1-CD2 3.33Å; F222-L228 HydrophobicContact CE2-CD2 4.24Å; F222-L228 HydrophobicContact CG-CD2 4.03Å; F222-L228 HydrophobicContact CZ-CD2 3.73Å; F222-I296 HydrophobicContact CB-CD1 3.42Å; F222-I296 VanDerWaalsContact CB-CD1 3.42Å; F222-I296 HydrophobicContact CG-CD1 3.99Å; F222-I299 VanDerWaalsContact O-CD1 3.31Å; F222-I299 WeakPolarHBondContact O-CD1 3.35Å; F222-I306 HydrophobicContact CB-CD1 4.47Å; F222-I306 HydrophobicContact CD2-CD1 3.67Å; F222-I306 HydrophobicContact CE2-CD1 4.43Å; F222-I306 HydrophobicContact CG-CD1 4.49Å; F222-L322 HydrophobicContact CE2-CB 3.96Å; F222-L322 HydrophobicContact CZ-CB 4.14Å; F222-D324 WeakPolarHBondContact CE1-OD1 3.44Å
223R95.6Very high94.7Very high69 Ų6926 Ų2626%0.2614%0.137SC..  trans-111.5153.8174.1-60.6172.5-62.9172.410.2110.2G225 D226 N337 P338 P339R223-G225 PolarHBondContact O-N 3.38Å; R223-D226 PolarHBondContact N-OD2 2.82Å; R223-D226 IonicContact NE-OD1 3.02Å; R223-D226 IonicContact NE-OD2 3.79Å; R223-D226 IonicContact NH2-OD1 3.69Å; R223-D226 PolarHBondContact NH2-OD1 2.79Å; R223-D226 VanDerWaalsContact O-CB 3.29Å; R223-D226 WeakPolarHBondContact O-CB 3.4Å; R223-D226 PolarHBondContact O-N 3.14Å; R223-D226 VanDerWaalsContact O-N 3.11Å; R223-N337 PolarHBondContact NH1-OD1 2.77Å; R223-N337 PolarHBondContact NH2-O 3.11Å; R223-P338 PolarHBondContact NH1-O 2.83Å; R223-P338 VanDerWaalsContact NH2-C 3.34Å; R223-P338 PolarHBondContact NH2-O 2.93Å; R223-P339 VanDerWaalsContact NH2-N 3.19Å
224V96.6Very high95.1Very high34 Ų3425.9 Ų25.921%0.20614%0.136CC..THydrogen-bonded Turntrans-61.3135.3171.6178.20000109.3I299 I374 H376V224-I299 HydrophobicContact CG2-CB 3.9Å; V224-I299 HydrophobicContact CG2-CD1 3.9Å; V224-I299 HydrophobicContact CG2-CG1 3.84Å; V224-I374 HydrophobicContact CB-CG2 4.28Å; V224-I374 HydrophobicContact CG2-CB 3.9Å; V224-I374 HydrophobicContact CG2-CG2 3.63Å; V224-I374 WeakPolarHBondContact CG2-O 3.46Å; V224-H376 VanDerWaalsContact CG1-CA 3.43Å; V224-H376 HydrophobicContact CG1-CB 3.52Å; V224-H376 VanDerWaalsContact CG1-N 3.34Å
225G96Very high95.5Very high22 Ų2230.5 Ų30.523%0.22716%0.159CC..THydrogen-bonded Turntrans90.6-16.2-172.800000115R223 I296R223-G225 PolarHBondContact O-N 3.38Å; G225-I296 PolarHBondContact N-O 3.04Å
226D96Very high95.8Very high16 Ų1634.4 Ų34.49%0.08618%0.179CC..  trans-65.8152.9173.8-72.7-19.4000110.7R96 R223 M295 I296R96-D226 IonicContact NH2-OD2 2.67Å; R223-D226 PolarHBondContact N-OD2 2.82Å; R223-D226 IonicContact NE-OD1 3.02Å; R223-D226 IonicContact NE-OD2 3.79Å; R223-D226 IonicContact NH2-OD1 3.69Å; R223-D226 PolarHBondContact NH2-OD1 2.79Å; R223-D226 VanDerWaalsContact O-CB 3.29Å; R223-D226 WeakPolarHBondContact O-CB 3.4Å; R223-D226 PolarHBondContact O-N 3.14Å; R223-D226 VanDerWaalsContact O-N 3.11Å; D226-M295 CarbonylContact O-C 3.5Å; D226-M295 WeakPolarHBondContact O-CA 3.22Å; D226-I296 HydrophobicContact CB-CD1 4.31Å; D226-I296 PolarHBondContact O-N 2.84Å
227Y97.3Very high96.1Very high48 Ų4839.3 Ų39.319%0.18819%0.193CC..EExtended strand (participates in β ladder)trans-106.1129.2178.7-70.7-93.5000112G293 V294 M295 S325 R330Y227-G293 WeakPolarHBondContact CD1-O 3.29Å; Y227-V294 CarbonylContact C-O 3.5Å; Y227-V294 WeakPolarHBondContact CA-O 3.5Å; Y227-M295 HydrophobicContact CD1-CB 3.99Å; Y227-M295 HydrophobicContact CE1-CB 3.73Å; Y227-M295 HydrophobicContact CE1-CG 4.26Å; Y227-S325 WeakPolarHBondContact O-CB 3.12Å; Y227-S325 PolarHBondContact O-N 3.26Å; Y227-R330 HydrophobicContact CD1-CG 4.17Å; Y227-R330 HydrophobicContact CD2-CG 4.43Å; Y227-R330 VanDerWaalsContact CE1-NE 3.31Å; Y227-R330 HydrophobicContact CG-CB 4.28Å; Y227-R330 HydrophobicContact CG-CG 3.97Å; Y227-R330 PolarHBondContact OH-NH1 2.81Å
228L97Very high96.3Very high0 Ų040.2 Ų40.20%021%0.205CC..EExtended strand (participates in β ladder)trans-108.5148.2-178.9-59-178.2000112.7F222 I230 G293 V294 I296 L322 N323F222-L228 HydrophobicContact CD1-CD2 3.48Å; F222-L228 VanDerWaalsContact CD1-CD2 3.48Å; F222-L228 HydrophobicContact CD2-CD2 4.39Å; F222-L228 HydrophobicContact CE1-CD2 3.33Å; F222-L228 HydrophobicContact CE2-CD2 4.24Å; F222-L228 HydrophobicContact CG-CD2 4.03Å; F222-L228 HydrophobicContact CZ-CD2 3.73Å; L228-I230 HydrophobicContact CB-CG1 4.32Å; L228-G293 PolarHBondContact O-N 3.39Å; L228-V294 PolarHBondContact N-O 2.95Å; L228-V294 PolarHBondContact O-N 3.06Å; L228-I296 HydrophobicContact CD1-CD1 3.6Å; L228-I296 HydrophobicContact CD1-CG1 3.61Å; L228-I296 HydrophobicContact CD2-CD1 4.11Å; L228-I296 HydrophobicContact CG-CD1 3.79Å; L228-I296 HydrophobicContact CG-CG1 3.81Å; L228-L322 HydrophobicContact CD1-CB 4.38Å; L228-L322 HydrophobicContact CD1-CD1 4.4Å; L228-L322 HydrophobicContact CD1-CD2 4.41Å; L228-N323 CarbonylContact C-O 3.57Å; L228-N323 VanDerWaalsContact CA-O 3.29Å; L228-N323 WeakPolarHBondContact CA-O 3.48Å
229D97.6Very high96.6Very high4 Ų445.3 Ų45.32%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-99.7129.2155.9-70.90.8000107.8L291 R292 G293 N323 S325 W326D229-L291 CarbonylContact C-O 3.55Å; D229-L291 WeakPolarHBondContact CA-O 3.29Å; D229-R292 HydrophobicContact CB-CG 4.28Å; D229-R292 WeakPolarHBondContact OD1-CA 3.39Å; D229-R292 VanDerWaalsContact OD1-CB 3.26Å; D229-R292 WeakPolarHBondContact OD1-CB 3.31Å; D229-R292 IonicContact OD2-CZ 3Å; D229-R292 IonicContact OD2-NE 2.74Å; D229-R292 PolarHBondContact OD2-NE 2.92Å; D229-R292 IonicContact OD2-NH2 3.69Å; D229-G293 PolarHBondContact OD1-N 2.8Å; D229-N323 PolarHBondContact N-O 2.97Å; D229-N323 PolarHBondContact O-N 3.22Å; D229-N323 VanDerWaalsContact O-N 3.08Å; D229-N323 PolarHBondContact O-OD1 3.28Å; D229-S325 VanDerWaalsContact OD1-CA 3.29Å; D229-S325 WeakPolarHBondContact OD1-CA 3.38Å; D229-S325 VanDerWaalsContact OD1-CB 3.25Å; D229-S325 WeakPolarHBondContact OD1-CB 3Å; D229-S325 PolarHBondContact OD1-OG 2.8Å; D229-W326 PolarHBondContact OD2-N 2.74Å; D229-W326 VanDerWaalsContact OD2-N 3.08Å
230I98Very high96.7Very high0 Ų047.4 Ų47.40%023%0.23CC..EExtended strand (participates in β ladder)trans-114.6114.4-174.5-56.2-177.8000108.4F122 L228 S290 L291 V308 T312 C320 L321 L322F122-I230 HydrophobicContact CE1-CG2 4.46Å; F122-I230 HydrophobicContact CE2-CD1 3.6Å; F122-I230 HydrophobicContact CZ-CD1 3.94Å; F122-I230 HydrophobicContact CZ-CG2 3.85Å; L228-I230 HydrophobicContact CB-CG1 4.32Å; I230-S290 CarbonylContact O-C 3.58Å; I230-S290 VanDerWaalsContact O-CA 3.23Å; I230-S290 WeakPolarHBondContact O-CA 3.41Å; I230-L291 HydrophobicContact CB-CB 4.46Å; I230-L291 HydrophobicContact CD1-CD2 4.48Å; I230-L291 PolarHBondContact N-O 3.5Å; I230-L291 PolarHBondContact O-N 3.41Å; I230-V308 HydrophobicContact CD1-CB 4.34Å; I230-V308 HydrophobicContact CD1-CG1 3.81Å; I230-V308 HydrophobicContact CD1-CG2 4.26Å; I230-T312 HydrophobicContact CD1-CG2 3.86Å; I230-T312 HydrophobicContact CG2-CG2 4.39Å; I230-C320 HydrophobicContact CG2-CB 4.29Å; I230-L321 CarbonylContact C-O 3.59Å; I230-L321 WeakPolarHBondContact CA-O 3.42Å; I230-L322 HydrophobicContact CB-CD2 4.22Å; I230-L322 HydrophobicContact CD1-CD2 4.06Å; I230-L322 HydrophobicContact CG1-CD2 3.66Å; I230-L322 HydrophobicContact CG2-CD2 3.94Å
231T97.7Very high96.9Very high25 Ų2547.2 Ų47.215%0.15324%0.238CC..EExtended strand (participates in β ladder)trans-113.5124.4-178.9-54.60000111.2F288 R289 S290 L321T231-F288 HydrophobicContact CG2-CB 4.41Å; T231-F288 HydrophobicContact CG2-CD1 4.24Å; T231-R289 WeakPolarHBondContact CA-O 3.27Å; T231-S290 WeakPolarHBondContact CG2-OG 3.39Å; T231-S290 WeakPolarHBondContact OG1-CB 3.45Å; T231-S290 PolarHBondContact OG1-OG 2.89Å; T231-L321 PolarHBondContact N-O 3.2Å; T231-L321 PolarHBondContact O-N 3.03Å
232A97.6Very high97Very high0 Ų047.6 Ų47.60%024%0.24CC..EExtended strand (participates in β ladder)trans-148.7167.8177.600000111.6F288 R289 P313 C320A232-F288 WeakPolarHBondContact O-CA 3.23Å; A232-R289 PolarHBondContact N-O 3.23Å; A232-R289 PolarHBondContact O-N 3.03Å; A232-P313 HydrophobicContact CB-CB 4.22Å; A232-P313 HydrophobicContact CB-CG 3.97Å; A232-P313 VanDerWaalsContact CB-O 3.27Å; A232-P313 WeakPolarHBondContact CB-O 3.27Å; A232-C320 HydrophobicContact CB-CB 4.23Å; A232-C320 VanDerWaalsContact CB-SG 3.56Å
233R96.3Very high97Very high133 Ų13348.9 Ų48.950%0.50225%0.247SC..EExtended strand (participates in β ladder)trans-77.2127.1171.2-74.1-170.6173.2179.6-1.4109.7R287 F288 G314R233-R287 WeakPolarHBondContact CA-O 3.43Å; R233-F288 HydrophobicContact CG-CD1 3.86Å; R233-F288 HydrophobicContact CG-CD2 4.21Å; R233-F288 HydrophobicContact CG-CE1 3.62Å; R233-F288 HydrophobicContact CG-CE2 3.99Å; R233-F288 HydrophobicContact CG-CG 4.16Å; R233-F288 HydrophobicContact CG-CZ 3.69Å; R233-G314 WeakPolarHBondContact O-CA 3.5Å
234T97.2Very high97.1Very high38 Ų3850 Ų5023%0.23325%0.254CS..PPolyproline II helixtrans-67.1154.8174.754.80000112N236 G285 N286 R287 R289 P313T234-N236 PolarHBondContact O-N 2.66Å; T234-G285 WeakPolarHBondContact OG1-CA 3.13Å; T234-N286 WeakPolarHBondContact O-CA 3.29Å; T234-N286 PolarHBondContact O-N 2.76Å; T234-N286 PolarHBondContact OG1-N 2.96Å; T234-R287 PolarHBondContact N-O 3.09Å; T234-R287 PolarHBondContact OG1-N 3.11Å; T234-R287 PolarHBondContact OG1-O 2.75Å; T234-R289 HydrophobicContact CG2-CB 3.78Å; T234-R289 HydrophobicContact CG2-CG 3.55Å; T234-P313 HydrophobicContact CG2-CB 4.22Å
235I97.3Very high97.2Very high98 Ų9851 Ų5150%0.50326%0.255SS..PPolyproline II helixtrans-52.4129.4176.3-60.2171.3000109.4R237 G285 P315I235-R237 PolarHBondContact O-N 3.09Å; I235-G285 VanDerWaalsContact O-CA 3.22Å; I235-G285 WeakPolarHBondContact O-CA 3.25Å; I235-P315 HydrophobicContact CG1-CB 4.2Å
236N96Very high97.2Very high96 Ų9654.5 Ų54.551%0.51326%0.261SS..PPolyproline II helixtrans-74.9121.4176.6-173.313000109.7T234 G238 N286T234-N236 PolarHBondContact O-N 2.66Å; N236-G238 PolarHBondContact OD1-N 3.32Å; N236-N286 HydrophobicContact CB-CB 3.94Å
237R96.7Very high97.2Very high139 Ų13956.7 Ų56.753%0.52529%0.288SS..  trans-105.21.4174.7-64.2-172.7179.3-173.6-2.9112.9I235 E240 M284I235-R237 PolarHBondContact O-N 3.09Å; R237-E240 HydrophobicContact CB-CG 4Å; R237-M284 HydrophobicContact CB-CB 4.37Å; R237-M284 PolarHBondContact N-O 3.03Å
238G97.3Very high97.2Very high28 Ų2857 Ų5729%0.28929%0.292SS..EExtended strand (participates in β ladder)trans72.2-153.6-178.500000112.8N236 E240 V283 M284N236-G238 PolarHBondContact OD1-N 3.32Å; G238-E240 PolarHBondContact O-N 3.27Å; G238-V283 CarbonylContact O-C 3.51Å; G238-V283 VanDerWaalsContact O-CA 3.26Å; G238-V283 WeakPolarHBondContact O-CA 3.26Å; G238-M284 PolarHBondContact O-N 2.8Å
239F98Very high97.2Very high156 Ų15667 Ų6768%0.68434%0.335SS*.EExtended strand (participates in β ladder)trans-80.6111.9179.1-172.9-79.2000110.1A281F239-A281 HydrophobicContact CE1-CB 3.94Å; F239-A281 HydrophobicContact CZ-CB 4.03Å
240E98Very high97Very high48 Ų4868.2 Ų68.222%0.22435%0.348CS..EExtended strand (participates in β ladder)trans-108.9149-174.7-74.6-66.4-179.500113.2R237 G238 R245 A281 G282 M284R237-E240 HydrophobicContact CB-CG 4Å; G238-E240 PolarHBondContact O-N 3.27Å; E240-R245 HydrophobicContact CB-CB 4.16Å; E240-A281 WeakPolarHBondContact O-CA 3.47Å; E240-A281 WeakPolarHBondContact O-CB 3.26Å; E240-G282 PolarHBondContact N-O 2.78Å; E240-G282 PolarHBondContact O-N 2.84Å; E240-M284 HydrophobicContact CB-CB 3.89Å; E240-M284 HydrophobicContact CB-SD 4.34Å; E240-M284 HydrophobicContact CG-CB 3.72Å; E240-M284 HydrophobicContact CG-CG 4.47Å; E240-M284 HydrophobicContact CG-SD 4.07Å
241G97.2Very high96.8Very high35 Ų3569 Ų6936%0.36136%0.357SS..  trans-69.5168.517300000112.7I243 R245G241-I243 VanDerWaalsContact C-N 3.26Å; G241-I243 PolarHBondContact O-N 2.72Å; G241-R245 WeakPolarHBondContact O-CB 3.31Å; G241-R245 PolarHBondContact O-N 2.82Å
242V97.3Very high96.7Very high8 Ų871.7 Ų71.75%0.04838%0.375CS..Hα-helixtrans-66.7-25.6-177-69.70000114.5W246 M248 M264 A281V242-W246 WeakPolarHBondContact O-CB 3.36Å; V242-W246 PolarHBondContact O-N 3.34Å; V242-W246 VanDerWaalsContact O-N 3.11Å; V242-M248 HydrophobicContact CB-CB 4.5Å; V242-M248 HydrophobicContact CB-CE 4.47Å; V242-M248 HydrophobicContact CB-CG 4.31Å; V242-M248 HydrophobicContact CB-SD 3.63Å; V242-M248 HydrophobicContact CG1-SD 4.19Å; V242-M248 HydrophobicContact CG2-CB 4.44Å; V242-M248 HydrophobicContact CG2-SD 3.95Å; V242-M264 HydrophobicContact CG1-CB 3.99Å; V242-M264 HydrophobicContact CG2-CB 4.09Å; V242-A281 HydrophobicContact CG1-CB 4.35Å
243I97.3Very high96.6Very high30 Ų3076.3 Ų76.315%0.15441%0.412CS..Hα-helixtrans-68.5-60.2177.1-60.8-169.9000109.7G241 R245 G247 M248 R262G241-I243 VanDerWaalsContact C-N 3.26Å; G241-I243 PolarHBondContact O-N 2.72Å; I243-R245 VanDerWaalsContact C-N 3.35Å; I243-R245 PolarHBondContact O-N 2.82Å; I243-G247 WeakPolarHBondContact O-CA 3.49Å; I243-G247 PolarHBondContact O-N 2.9Å; I243-M248 WeakPolarHBondContact CG1-O 3.21Å; I243-R262 HydrophobicContact CD1-CB 3.84Å; I243-R262 HydrophobicContact CD1-CG 3.83Å
244E97.4Very high96.4Very high91 Ų9172.7 Ų72.743%0.42541%0.411SS..Hα-helixtrans-64.6-38.7-179.2-60-50.6139.300112.7R262E244-R262 IonicContact OE1-NH2 3.42Å; E244-R262 PolarHBondContact OE1-NH2 2.95Å
245R97.1Very high96.2Very high56 Ų5679.9 Ų79.921%0.21144%0.442CS..Hα-helixtrans-74.6-36.3-175.2-169.1177.4-170.6-160.312.1113.8E240 G241 I243 M280 A281 G282 V283 M284E240-R245 HydrophobicContact CB-CB 4.16Å; G241-R245 WeakPolarHBondContact O-CB 3.31Å; G241-R245 PolarHBondContact O-N 2.82Å; I243-R245 VanDerWaalsContact C-N 3.35Å; I243-R245 PolarHBondContact O-N 2.82Å; R245-M280 PolarHBondContact NH1-O 3.34Å; R245-A281 VanDerWaalsContact NH1-C 3.27Å; R245-A281 PolarHBondContact NH1-O 2.99Å; R245-A281 VanDerWaalsContact NH1-O 3.09Å; R245-G282 WeakPolarHBondContact CD-O 3.29Å; R245-G282 PolarHBondContact NE-O 3Å; R245-G282 VanDerWaalsContact NH1-CA 3.33Å; R245-V283 PolarHBondContact NE-O 2.71Å; R245-V283 PolarHBondContact NH2-O 2.82Å; R245-M284 HydrophobicContact CB-SD 4.41Å; R245-M284 HydrophobicContact CG-CB 4.32Å
246W96.9Very high96Very high95 Ų9578.6 Ų78.636%0.3645%0.452SS..Hα-helixtrans-128.1-1.7-170.1-57.2115.2000114.9V242 M248 R279 M280V242-W246 WeakPolarHBondContact O-CB 3.36Å; V242-W246 PolarHBondContact O-N 3.34Å; V242-W246 VanDerWaalsContact O-N 3.11Å; W246-M248 VanDerWaalsContact C-N 3.33Å; W246-M248 HydrophobicContact CB-CE 4.48Å; W246-M248 HydrophobicContact CB-CG 4.29Å; W246-R279 HydrophobicContact CB-CB 4.48Å; W246-R279 HydrophobicContact CD2-CB 3.76Å; W246-R279 HydrophobicContact CD2-CG 3.73Å; W246-R279 HydrophobicContact CE3-CB 4.4Å; W246-R279 HydrophobicContact CE3-CG 3.85Å; W246-R279 HydrophobicContact CG-CB 3.78Å; W246-R279 HydrophobicContact CG-CG 4.17Å; W246-R279 HydrophobicContact CH2-CG 4.42Å; W246-R279 HydrophobicContact CZ2-CB 4.41Å; W246-R279 HydrophobicContact CZ2-CG 4.33Å; W246-R279 HydrophobicContact CZ3-CG 4.19Å; W246-M280 PolarHBondContact NE1-O 2.9Å
247G96.6Very high95.9Very high63 Ų6375.2 Ų75.265%0.64944%0.436SS*.  trans67.828.7-176.400000113.6I243I243-G247 WeakPolarHBondContact O-CA 3.49Å; I243-G247 PolarHBondContact O-N 2.9Å
248M96.8Very high95.7Very high54 Ų5474.1 Ų74.127%0.26645%0.445SS..  trans-68143.8175.5-68.2-171.2-176.900110.7V242 I243 W246 G250 R279V242-M248 HydrophobicContact CB-CB 4.5Å; V242-M248 HydrophobicContact CB-CE 4.47Å; V242-M248 HydrophobicContact CB-CG 4.31Å; V242-M248 HydrophobicContact CB-SD 3.63Å; V242-M248 HydrophobicContact CG1-SD 4.19Å; V242-M248 HydrophobicContact CG2-CB 4.44Å; V242-M248 HydrophobicContact CG2-SD 3.95Å; I243-M248 WeakPolarHBondContact CG1-O 3.21Å; W246-M248 VanDerWaalsContact C-N 3.33Å; W246-M248 HydrophobicContact CB-CE 4.48Å; W246-M248 HydrophobicContact CB-CG 4.29Å; M248-G250 VanDerWaalsContact C-N 3.34Å; M248-G250 PolarHBondContact O-N 2.78Å; M248-R279 HydrophobicContact CE-CB 3.83Å
249K96Very high95.5Very high211 Ų21180.9 Ų80.992%0.91747%0.467SS*.  trans-68.8-27.2-177.4-66.6-174176.7-175.30114.2
250G94.3Very high95.3Very high29 Ų2977.2 Ų77.230%0.29945%0.451SS..  trans77-167-171.400000113.1M248 H261M248-G250 VanDerWaalsContact C-N 3.34Å; M248-G250 PolarHBondContact O-N 2.78Å; G250-H261 CarbonylContact C-O 3.5Å; G250-H261 WeakPolarHBondContact CA-O 3.41Å
251G94.4Very high95.1Very high17 Ų1778.8 Ų78.818%0.17546%0.458CS..  trans-94.6164.6174.600000112.6H261G251-H261 PolarHBondContact N-O 2.94Å
252P95.9Very high95Very high81 Ų8184.3 Ų84.353%0.52647%0.467SS..  trans-62.3151.9177.724.5-30.6000111.7S257 H261P252-S257 WeakPolarHBondContact O-CB 3.37Å; P252-S257 PolarHBondContact O-OG 3.28Å; P252-H261 PolarHBondContact O-ND1 3.21Å
253A94.6Very high94.9Very high96 Ų9691.1 Ų91.179%0.79349%0.492SS*.SBendtrans-77.3-36.1176.900000112.3
254A92.4Very high94.8Very high57 Ų5793 Ų9347%0.47150%0.501SS..SBendtrans-115.9-167.8-179.200000112.2
255H93.7Very high94.6Very high190 Ų19090.3 Ų90.388%0.8850%0.498SS*.THydrogen-bonded Turntrans61.949.8178-54.8-73.9000114.8S257H255-S257 VanDerWaalsContact C-N 3.28Å; H255-S257 PolarHBondContact O-N 3.15Å
256G93Very high94.4Very high70 Ų7092.3 Ų92.372%0.72252%0.521SS*.THydrogen-bonded Turntrans77.16.9172.500000115.5T258G256-T258 PolarHBondContact O-N 3.47Å; G256-T258 PolarHBondContact O-OG1 3.34Å; G256-T258 VanDerWaalsContact O-OG1 3.13Å
257S93.3Very high94.1Very high26 Ų2689.2 Ų89.218%0.18252%0.516CS..  trans-62.5106.7175.6-172.50000111.1P252 H255 H261P252-S257 WeakPolarHBondContact O-CB 3.37Å; P252-S257 PolarHBondContact O-OG 3.28Å; H255-S257 VanDerWaalsContact C-N 3.28Å; H255-S257 PolarHBondContact O-N 3.15Å; S257-H261 PolarHBondContact O-CE1 3.36Å; S257-H261 VanDerWaalsContact O-CE1 3.25Å; S257-H261 PolarHBondContact OG-ND1 3.29Å
258T92.8Very high93.8Very high116 Ų11688.3 Ų88.371%0.71250%0.502SS*.  trans-102.7111.8-176.7-50.30000110.3G256 F260G256-T258 PolarHBondContact O-N 3.47Å; G256-T258 PolarHBondContact O-OG1 3.34Å; G256-T258 VanDerWaalsContact O-OG1 3.13Å; T258-F260 PolarHBondContact O-N 3.43Å
259K93Very high93.3Very high170 Ų17088.5 Ų88.574%0.73952%0.517SS*.SBendtrans55.620.9175-59.4178.5-179.4177.40115.4R263K259-R263 PolarHBondContact O-NE 3.06Å
260F92.8Very high92.9Very high79 Ų7991 Ų9135%0.34652%0.521SS..  trans-108.4-6-174.5-176-102.8000114.5T258 R262 R263T258-F260 PolarHBondContact O-N 3.43Å; F260-R262 VanDerWaalsContact C-N 3.3Å; F260-R262 PolarHBondContact O-N 3Å; F260-R263 HydrophobicContact CD2-CB 3.66Å; F260-R263 HydrophobicContact CD2-CG 4.2Å; F260-R263 HydrophobicContact CE2-CB 3.68Å; F260-R263 HydrophobicContact CG-CB 4.44Å; F260-R263 HydrophobicContact CZ-CB 4.49Å; F260-R263 PolarHBondContact O-N 3.38Å; F260-R263 VanDerWaalsContact O-N 3.1Å
261H94.6Very high92.4Very high80 Ų8093.6 Ų93.637%0.3755%0.548SS..THydrogen-bonded Turntrans-50.2-39.9-168.5-45.6-64.8000115.6G250 G251 P252 S257G250-H261 CarbonylContact C-O 3.5Å; G250-H261 WeakPolarHBondContact CA-O 3.41Å; G251-H261 PolarHBondContact N-O 2.94Å; P252-H261 PolarHBondContact O-ND1 3.21Å; S257-H261 PolarHBondContact O-CE1 3.36Å; S257-H261 VanDerWaalsContact O-CE1 3.25Å; S257-H261 PolarHBondContact OG-ND1 3.29Å
262R96Very high92.1Very high151 Ų15194.5 Ų94.557%0.5756%0.557SS**THydrogen-bonded Turntrans-114.813.3-177.3-56.2-173.965.586-8.1114.6I243 E244 F260I243-R262 HydrophobicContact CD1-CB 3.84Å; I243-R262 HydrophobicContact CD1-CG 3.83Å; E244-R262 IonicContact OE1-NH2 3.42Å; E244-R262 PolarHBondContact OE1-NH2 2.95Å; F260-R262 VanDerWaalsContact C-N 3.3Å; F260-R262 PolarHBondContact O-N 3Å
263R94.4Very high91.9Very high151 Ų15196.5 Ų96.557%0.5757%0.57SS**  trans-79.4162-179.3-66.3-170.3-178.7-167.8-2.2111.2K259 F260K259-R263 PolarHBondContact O-NE 3.06Å; F260-R263 HydrophobicContact CD2-CB 3.66Å; F260-R263 HydrophobicContact CD2-CG 4.2Å; F260-R263 HydrophobicContact CE2-CB 3.68Å; F260-R263 HydrophobicContact CG-CB 4.44Å; F260-R263 HydrophobicContact CZ-CB 4.49Å; F260-R263 PolarHBondContact O-N 3.38Å; F260-R263 VanDerWaalsContact O-N 3.1Å
264M95.2Very high91.7Very high69 Ų6996.3 Ų96.334%0.3456%0.555SS.*  trans-73.9-20.3-179.461.9172.6-86.300115.1V242 A267 M280V242-M264 HydrophobicContact CG1-CB 3.99Å; V242-M264 HydrophobicContact CG2-CB 4.09Å; M264-A267 HydrophobicContact CE-CB 3.34Å; M264-M280 HydrophobicContact CE-CE 4.29Å
265G93.6Very high91.7Very high35 Ų3598.9 Ų98.936%0.36157%0.565SS.*  trans74-142.2-16800000112.5
266S92Very high91.4Very high99 Ų99101.7 Ų101.769%0.69257%0.568SS**  trans-72.8134.9-176.4-178.80000112.9A268S266-A268 PolarHBondContact OG-O 2.98Å
267A91.6Very high91.3Very high30 Ų30101.8 Ų101.825%0.24857%0.569CS.*  trans-88.9-46.2179.800000113.1M264 I274 K278 M280M264-A267 HydrophobicContact CE-CB 3.34Å; A267-I274 HydrophobicContact CB-CG1 4.38Å; A267-K278 WeakPolarHBondContact O-CE 3.48Å; A267-K278 PolarHBondContact O-NZ 3.4Å; A267-K278 VanDerWaalsContact O-NZ 3.07Å; A267-M280 HydrophobicContact CB-CE 4.29Å
268A89Confident91.3Very high43 Ų43105 Ų10536%0.35558%0.58SS.*  trans-145.7162.5-170.900000110.3S266 I274S266-A268 PolarHBondContact OG-O 2.98Å; A268-I274 HydrophobicContact CB-CG1 4.38Å
269G87.6Confident91.5Very high58 Ų58106.4 Ų106.460%0.59857%0.572SS**SBendtrans-104.515417500000112.1G271 G272G269-G271 PolarHBondContact O-N 2.83Å; G269-G271 VanDerWaalsContact O-N 3.14Å; G269-G272 PolarHBondContact O-N 2.67Å
270R86.5Confident91.6Very high263 Ų263101.2 Ų101.299%0.99255%0.551SS**THydrogen-bonded Turntrans59.425166.4-145-178.8-116.4-100.33.3115.7G272R270-G272 PolarHBondContact O-N 3.08Å
271G83.7Confident91.9Very high84 Ų8499.5 Ų99.587%0.86655%0.551SS**THydrogen-bonded Turntrans70.58179.400000115G269G269-G271 PolarHBondContact O-N 2.83Å; G269-G271 VanDerWaalsContact O-N 3.14Å
272G88.8Confident92Very high36 Ų3696 Ų9637%0.37154%0.537SS..PPolyproline II helixtrans-73.5167.2178.600000113.4G269 R270G269-G272 PolarHBondContact O-N 2.67Å; R270-G272 PolarHBondContact O-N 3.08Å
273P91.9Very high92Very high123 Ų12392.3 Ų92.380%0.79953%0.531SS*.PPolyproline II helixtrans-62.6151.2175.227.9-34.8000111.4V275P273-V275 PolarHBondContact O-N 3.44Å
274I90.5Very high92.1Very high92 Ų9287.3 Ų87.347%0.47252%0.515SS..PPolyproline II helixtrans-66.1125.3175.8-65.7152.7000109.4A267 A268 R276 K278 M280A267-I274 HydrophobicContact CB-CG1 4.38Å; A268-I274 HydrophobicContact CB-CG1 4.38Å; I274-R276 PolarHBondContact O-N 2.79Å; I274-K278 HydrophobicContact CG2-CB 3.71Å; I274-K278 HydrophobicContact CG2-CG 4.1Å; I274-M280 HydrophobicContact CD1-CE 3.85Å; I274-M280 HydrophobicContact CG1-CE 4.3Å; I274-M280 HydrophobicContact CG2-CE 3.78Å
275V90.8Very high92.2Very high112 Ų11284.8 Ų84.868%0.67951%0.506SS*.PPolyproline II helixtrans-59131.9177.8-175.50000110.1P273 G277 K278P273-V275 PolarHBondContact O-N 3.44Å; V275-G277 PolarHBondContact O-N 3.43Å; V275-K278 VanDerWaalsContact O-CB 3.26Å; V275-K278 WeakPolarHBondContact O-CB 3.3Å; V275-K278 PolarHBondContact O-N 2.89Å
276R89.2Confident92.3Very high248 Ų24886.9 Ų86.994%0.93651%0.509SS*.THydrogen-bonded Turntrans-58134.5177.5-64.8-176.6-178.3-149.50.4110.2I274 K278I274-R276 PolarHBondContact O-N 2.79Å; R276-K278 VanDerWaalsContact C-N 3.34Å
277G90.7Very high92.5Very high72 Ų7288 Ų8874%0.74250%0.498SS*.THydrogen-bonded Turntrans82.66.2-17600000114.8V275 R279V275-G277 PolarHBondContact O-N 3.43Å; G277-R279 PolarHBondContact O-N 3.46Å
278K93.3Very high92.7Very high95 Ų9591.8 Ų91.841%0.41351%0.509SS..  trans-53.3133169.6-175.572.8179.7-160.20110.5A267 I274 V275 R276 M280A267-K278 WeakPolarHBondContact O-CE 3.48Å; A267-K278 PolarHBondContact O-NZ 3.4Å; A267-K278 VanDerWaalsContact O-NZ 3.07Å; I274-K278 HydrophobicContact CG2-CB 3.71Å; I274-K278 HydrophobicContact CG2-CG 4.1Å; V275-K278 VanDerWaalsContact O-CB 3.26Å; V275-K278 WeakPolarHBondContact O-CB 3.3Å; V275-K278 PolarHBondContact O-N 2.89Å; R276-K278 VanDerWaalsContact C-N 3.34Å; K278-M280 HydrophobicContact CG-CE 4.29Å; K278-M280 HydrophobicContact CG-CG 4.46Å; K278-M280 PolarHBondContact O-N 3.36Å
279R95.5Very high93Very high145 Ų14597.6 Ų97.655%0.54752%0.522SS..  trans-68.1114.2178.7-66.2-177.3-174.9178.42.6110.5W246 M248 G277W246-R279 HydrophobicContact CB-CB 4.48Å; W246-R279 HydrophobicContact CD2-CB 3.76Å; W246-R279 HydrophobicContact CD2-CG 3.73Å; W246-R279 HydrophobicContact CE3-CB 4.4Å; W246-R279 HydrophobicContact CE3-CG 3.85Å; W246-R279 HydrophobicContact CG-CB 3.78Å; W246-R279 HydrophobicContact CG-CG 4.17Å; W246-R279 HydrophobicContact CH2-CG 4.42Å; W246-R279 HydrophobicContact CZ2-CB 4.41Å; W246-R279 HydrophobicContact CZ2-CG 4.33Å; W246-R279 HydrophobicContact CZ3-CG 4.19Å; M248-R279 HydrophobicContact CE-CB 3.83Å; G277-R279 PolarHBondContact O-N 3.46Å
280M96.6Very high93.4Very high60 Ų6098 Ų9830%0.29652%0.516SS..  trans-136.2167.8-179.2-70.2-175.6162.600111.4R245 W246 M264 A267 I274 K278R245-M280 PolarHBondContact NH1-O 3.34Å; W246-M280 PolarHBondContact NE1-O 2.9Å; M264-M280 HydrophobicContact CE-CE 4.29Å; A267-M280 HydrophobicContact CB-CE 4.29Å; I274-M280 HydrophobicContact CD1-CE 3.85Å; I274-M280 HydrophobicContact CG1-CE 4.3Å; I274-M280 HydrophobicContact CG2-CE 3.78Å; K278-M280 HydrophobicContact CG-CE 4.29Å; K278-M280 HydrophobicContact CG-CG 4.46Å; K278-M280 PolarHBondContact O-N 3.36Å
281A97.5Very high93.9Very high43 Ų4388.1 Ų88.136%0.35548%0.482SS..SBendtrans-57.4155.3173.600000111.5F239 E240 V242 R245F239-A281 HydrophobicContact CE1-CB 3.94Å; F239-A281 HydrophobicContact CZ-CB 4.03Å; E240-A281 WeakPolarHBondContact O-CA 3.47Å; E240-A281 WeakPolarHBondContact O-CB 3.26Å; V242-A281 HydrophobicContact CG1-CB 4.35Å; R245-A281 VanDerWaalsContact NH1-C 3.27Å; R245-A281 PolarHBondContact NH1-O 2.99Å; R245-A281 VanDerWaalsContact NH1-O 3.09Å
282G97.3Very high94.5Very high7 Ų789.8 Ų89.87%0.07246%0.462CS..EExtended strand (participates in β ladder)trans153.1-172.2178.800000114E240 R245 M284E240-G282 PolarHBondContact N-O 2.78Å; E240-G282 PolarHBondContact O-N 2.84Å; R245-G282 WeakPolarHBondContact CD-O 3.29Å; R245-G282 PolarHBondContact NE-O 3Å; R245-G282 VanDerWaalsContact NH1-CA 3.33Å; G282-M284 PolarHBondContact O-N 2.89Å
283V97.1Very high94.8Very high74 Ų7488.7 Ų88.745%0.44845%0.451SS..EExtended strand (participates in β ladder)trans-62.4126-173.6-175.90000111.9G238 R245G238-V283 CarbonylContact O-C 3.51Å; G238-V283 VanDerWaalsContact O-CA 3.26Å; G238-V283 WeakPolarHBondContact O-CA 3.26Å; R245-V283 PolarHBondContact NE-O 2.71Å; R245-V283 PolarHBondContact NH2-O 2.82Å
284M96.8Very high95.1Very high46 Ų4683.7 Ų83.723%0.22742%0.419CS..EExtended strand (participates in β ladder)trans-115.1139.1176-177.4179.1177.700110.4R237 G238 E240 R245 G282R237-M284 HydrophobicContact CB-CB 4.37Å; R237-M284 PolarHBondContact N-O 3.03Å; G238-M284 PolarHBondContact O-N 2.8Å; E240-M284 HydrophobicContact CB-CB 3.89Å; E240-M284 HydrophobicContact CB-SD 4.34Å; E240-M284 HydrophobicContact CG-CB 3.72Å; E240-M284 HydrophobicContact CG-CG 4.47Å; E240-M284 HydrophobicContact CG-SD 4.07Å; R245-M284 HydrophobicContact CB-SD 4.41Å; R245-M284 HydrophobicContact CG-CB 4.32Å; G282-M284 PolarHBondContact O-N 2.89Å
285G96.1Very high95.4Very high15 Ų1581.3 Ų81.316%0.15541%0.406CS..SBendtrans83.6-164.6-177.400000113.6T234 I235 R287T234-G285 WeakPolarHBondContact OG1-CA 3.13Å; I235-G285 VanDerWaalsContact O-CA 3.22Å; I235-G285 WeakPolarHBondContact O-CA 3.25Å; G285-R287 WeakPolarHBondContact O-CG 3.41Å; G285-R287 PolarHBondContact O-N 3.44Å; G285-R287 VanDerWaalsContact O-N 3.14Å
286N95.8Very high95.7Very high79 Ų7976 Ų7642%0.42237%0.373SS..  trans50.934.5-177.8-163.821.2000114.1T234 N236T234-N286 WeakPolarHBondContact O-CA 3.29Å; T234-N286 PolarHBondContact O-N 2.76Å; T234-N286 PolarHBondContact OG1-N 2.96Å; N236-N286 HydrophobicContact CB-CB 3.94Å
287R95.5Very high96.1Very high123 Ų12364.1 Ų64.146%0.46433%0.329SS..SBendtrans-124.9148.1178.3-68.8176.7-166.6-126.80.7109.4R233 T234 G285 R289R233-R287 WeakPolarHBondContact CA-O 3.43Å; T234-R287 PolarHBondContact N-O 3.09Å; T234-R287 PolarHBondContact OG1-N 3.11Å; T234-R287 PolarHBondContact OG1-O 2.75Å; G285-R287 WeakPolarHBondContact O-CG 3.41Å; G285-R287 PolarHBondContact O-N 3.44Å; G285-R287 VanDerWaalsContact O-N 3.14Å; R287-R289 PolarHBondContact O-N 2.89Å
288F95.7Very high96.4Very high110 Ų11061.4 Ų61.448%0.48230%0.296SS..EExtended strand (participates in β ladder)trans-66.3127.9172.9-72.9-78.3000110.3T231 A232 R233T231-F288 HydrophobicContact CG2-CB 4.41Å; T231-F288 HydrophobicContact CG2-CD1 4.24Å; A232-F288 WeakPolarHBondContact O-CA 3.23Å; R233-F288 HydrophobicContact CG-CD1 3.86Å; R233-F288 HydrophobicContact CG-CD2 4.21Å; R233-F288 HydrophobicContact CG-CE1 3.62Å; R233-F288 HydrophobicContact CG-CE2 3.99Å; R233-F288 HydrophobicContact CG-CG 4.16Å; R233-F288 HydrophobicContact CG-CZ 3.69Å
289R96.4Very high96.6Very high164 Ų16457 Ų5762%0.61928%0.277SS*.EExtended strand (participates in β ladder)trans-132.5147.2171.1-69.5-62.3-171.8-178.11.9108.9T231 A232 T234 R287 P313T231-R289 WeakPolarHBondContact CA-O 3.27Å; A232-R289 PolarHBondContact N-O 3.23Å; A232-R289 PolarHBondContact O-N 3.03Å; T234-R289 HydrophobicContact CG2-CB 3.78Å; T234-R289 HydrophobicContact CG2-CG 3.55Å; R287-R289 PolarHBondContact O-N 2.89Å; R289-P313 HydrophobicContact CB-CB 4.46Å; R289-P313 WeakPolarHBondContact O-CG 3.41Å
290S96.1Very high96.6Very high67 Ų6750.1 Ų50.147%0.46925%0.251SS..EExtended strand (participates in β ladder)trans-115126.2-179.6-510000109.6I230 T231I230-S290 CarbonylContact O-C 3.58Å; I230-S290 VanDerWaalsContact O-CA 3.23Å; I230-S290 WeakPolarHBondContact O-CA 3.41Å; T231-S290 WeakPolarHBondContact CG2-OG 3.39Å; T231-S290 WeakPolarHBondContact OG1-CB 3.45Å; T231-S290 PolarHBondContact OG1-OG 2.89Å
291L96.7Very high96.5Very high56 Ų5649.1 Ų49.129%0.29325%0.249SC..EExtended strand (participates in β ladder)trans-93.4121.2166.9-179.891.4000106.5D229 I230 V294 T311 T312D229-L291 CarbonylContact C-O 3.55Å; D229-L291 WeakPolarHBondContact CA-O 3.29Å; I230-L291 HydrophobicContact CB-CB 4.46Å; I230-L291 HydrophobicContact CD1-CD2 4.48Å; I230-L291 PolarHBondContact N-O 3.5Å; I230-L291 PolarHBondContact O-N 3.41Å; L291-V294 HydrophobicContact CD2-CG2 3.41Å; L291-V294 VanDerWaalsContact CD2-CG2 3.41Å; L291-V294 HydrophobicContact CG-CG2 3.67Å; L291-T311 WeakPolarHBondContact CD2-O 3.45Å; L291-T312 HydrophobicContact CD2-CG2 3.83Å
292R96.2Very high96.2Very high118 Ų11851.5 Ų51.545%0.44525%0.252SS..EExtended strand (participates in β ladder)trans-112.5143.6-166.5-61.6-177.868.5-161.7-2.5112.3D229 W326 L327D229-R292 HydrophobicContact CB-CG 4.28Å; D229-R292 WeakPolarHBondContact OD1-CA 3.39Å; D229-R292 VanDerWaalsContact OD1-CB 3.26Å; D229-R292 WeakPolarHBondContact OD1-CB 3.31Å; D229-R292 IonicContact OD2-CZ 3Å; D229-R292 IonicContact OD2-NE 2.74Å; D229-R292 PolarHBondContact OD2-NE 2.92Å; D229-R292 IonicContact OD2-NH2 3.69Å; R292-W326 PolarHBondContact NH2-O 3.37Å; R292-L327 HydrophobicContact CB-CD1 4.42Å; R292-L327 HydrophobicContact CB-CG 4.45Å
293G96Very high96Very high14 Ų1454 Ų5414%0.14426%0.263CS..EExtended strand (participates in β ladder)trans71.742.5170.900000114.2Y227 L228 D229 S325Y227-G293 WeakPolarHBondContact CD1-O 3.29Å; L228-G293 PolarHBondContact O-N 3.39Å; D229-G293 PolarHBondContact OD1-N 2.8Å; G293-S325 WeakPolarHBondContact CA-OG 3.24Å; G293-S325 PolarHBondContact N-OG 3.14Å
294V96.9Very high95.9Very high18 Ų1850.9 Ų50.911%0.10925%0.246CC..EExtended strand (participates in β ladder)trans-100.8128.9-179.6-1530000110.5Y227 L228 L291 V308 P309Y227-V294 CarbonylContact C-O 3.5Å; Y227-V294 WeakPolarHBondContact CA-O 3.5Å; L228-V294 PolarHBondContact N-O 2.95Å; L228-V294 PolarHBondContact O-N 3.06Å; L291-V294 HydrophobicContact CD2-CG2 3.41Å; L291-V294 VanDerWaalsContact CD2-CG2 3.41Å; L291-V294 HydrophobicContact CG-CG2 3.67Å; V294-V308 HydrophobicContact CB-CG1 3.6Å; V294-V308 HydrophobicContact CG1-CG1 3.15Å; V294-V308 HydrophobicContact CG2-CG1 4.5Å; V294-P309 HydrophobicContact CG1-CG 3.9Å; V294-P309 WeakPolarHBondContact CG1-O 3.26Å
295M96.9Very high96Very high41 Ų4149.3 Ų49.320%0.20224%0.238CC..EExtended strand (participates in β ladder)trans-76.4141.4-176.2-168.5174.774.400111.2D226 Y227 V297 P309D226-M295 CarbonylContact O-C 3.5Å; D226-M295 WeakPolarHBondContact O-CA 3.22Å; Y227-M295 HydrophobicContact CD1-CB 3.99Å; Y227-M295 HydrophobicContact CE1-CB 3.73Å; Y227-M295 HydrophobicContact CE1-CG 4.26Å; M295-V297 HydrophobicContact CE-CG1 4.35Å; M295-V297 HydrophobicContact CE-CG2 4.02Å; M295-P309 WeakPolarHBondContact O-CD 3.12Å
296I97.8Very high96Very high0 Ų048.6 Ų48.60%023%0.231CC..PPolyproline II helixtrans-81.3130.4168-58.7172.6000108.7F222 G225 D226 L228 I299 I306F222-I296 HydrophobicContact CB-CD1 3.42Å; F222-I296 VanDerWaalsContact CB-CD1 3.42Å; F222-I296 HydrophobicContact CG-CD1 3.99Å; G225-I296 PolarHBondContact N-O 3.04Å; D226-I296 HydrophobicContact CB-CD1 4.31Å; D226-I296 PolarHBondContact O-N 2.84Å; L228-I296 HydrophobicContact CD1-CD1 3.6Å; L228-I296 HydrophobicContact CD1-CG1 3.61Å; L228-I296 HydrophobicContact CD2-CD1 4.11Å; L228-I296 HydrophobicContact CG-CD1 3.79Å; L228-I296 HydrophobicContact CG-CG1 3.81Å; I296-I299 HydrophobicContact CG2-CD1 3.91Å; I296-I299 HydrophobicContact CG2-CG1 3.65Å; I296-I306 HydrophobicContact CB-CG2 4.48Å; I296-I306 HydrophobicContact CD1-CG2 4.27Å; I296-I306 HydrophobicContact CG1-CG2 4.05Å; I296-I306 HydrophobicContact CG2-CG2 3.76Å
297V97.5Very high96.1Very high0 Ų045.3 Ų45.30%021%0.213CC..  trans-116.3-29.2-171-153.20000111.4M117 M295 Y307 P309 H376 I379M117-V297 HydrophobicContact CE-CB 4.27Å; M117-V297 HydrophobicContact CE-CG1 3.8Å; M117-V297 HydrophobicContact CE-CG2 3.98Å; M295-V297 HydrophobicContact CE-CG1 4.35Å; M295-V297 HydrophobicContact CE-CG2 4.02Å; V297-Y307 PolarHBondContact N-O 3.28Å; V297-P309 HydrophobicContact CG2-CG 3.97Å; V297-H376 HydrophobicContact CG1-CB 3.74Å; V297-H376 VanDerWaalsContact O-CB 3.24Å; V297-H376 WeakPolarHBondContact O-CB 3.44Å; V297-H376 PolarHBondContact O-N 2.91Å; V297-I379 HydrophobicContact CB-CD1 3.71Å; V297-I379 HydrophobicContact CB-CG1 4.35Å; V297-I379 HydrophobicContact CG1-CD1 3.14Å; V297-I379 HydrophobicContact CG1-CG1 3.27Å; V297-I379 WeakPolarHBondContact O-CD1 3.36Å
298R97.1Very high96.3Very high15 Ų1539.4 Ų39.46%0.05719%0.19CC..EExtended strand (participates in β ladder)trans-143.9144.9172.2170.2-172.7178171.8-2.2110Y307 D373 I374 Y375 I379R298-Y307 HydrophobicContact CB-CD2 3.85Å; R298-Y307 HydrophobicContact CB-CG 3.95Å; R298-Y307 HydrophobicContact CG-CD2 3.68Å; R298-Y307 HydrophobicContact CG-CE2 4.04Å; R298-Y307 HydrophobicContact CG-CG 4.17Å; R298-Y307 WeakPolarHBondContact O-CD2 3.48Å; R298-Y307 PolarHBondContact O-N 2.88Å; R298-D373 IonicContact CZ-OD2 2.6Å; R298-D373 IonicContact NE-OD2 3.04Å; R298-D373 PolarHBondContact NE-OD2 3.31Å; R298-D373 IonicContact NH2-OD2 2.69Å; R298-D373 PolarHBondContact NH2-OD2 3.48Å; R298-I374 CarbonylContact C-O 3.58Å; R298-I374 VanDerWaalsContact CA-O 3.26Å; R298-I374 WeakPolarHBondContact CA-O 3.43Å; R298-Y375 HydrophobicContact CB-CD1 4.34Å; R298-Y375 HydrophobicContact CG-CD1 4.13Å; R298-Y375 HydrophobicContact CG-CE1 4.07Å; R298-Y375 PolarHBondContact NH1-OH 2.89Å; R298-Y375 PolarHBondContact NH2-OH 3.45Å; R298-I379 HydrophobicContact CB-CD1 4.07Å
299I97.4Very high96.3Very high2 Ų235.6 Ų35.61%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-129.8134.3174.6-74.9178000108.6V219 F222 V224 I296 L305 I306 I374V219-I299 HydrophobicContact CB-CG2 4.4Å; V219-I299 HydrophobicContact CG1-CB 4.41Å; V219-I299 HydrophobicContact CG1-CD1 4.43Å; V219-I299 HydrophobicContact CG1-CG1 4.29Å; V219-I299 HydrophobicContact CG1-CG2 3.47Å; V219-I299 VanDerWaalsContact CG1-CG2 3.47Å; F222-I299 VanDerWaalsContact O-CD1 3.31Å; F222-I299 WeakPolarHBondContact O-CD1 3.35Å; V224-I299 HydrophobicContact CG2-CB 3.9Å; V224-I299 HydrophobicContact CG2-CD1 3.9Å; V224-I299 HydrophobicContact CG2-CG1 3.84Å; I296-I299 HydrophobicContact CG2-CD1 3.91Å; I296-I299 HydrophobicContact CG2-CG1 3.65Å; I299-L305 WeakPolarHBondContact CA-O 3.4Å; I299-I306 HydrophobicContact CG1-CG1 4.4Å; I299-I374 PolarHBondContact N-O 3.03Å; I299-I374 PolarHBondContact O-N 3.5Å
300N95.7Very high96.2Very high0 Ų029.5 Ų29.50%017%0.165CC..EExtended strand (participates in β ladder)trans-111.9110.3167-179-47.5000108.4K302 L303 G304 L305 D369 D373N300-K302 PolarHBondContact OD1-N 2.86Å; N300-L303 PolarHBondContact OD1-N 2.89Å; N300-G304 CarbonylContact O-C 3.56Å; N300-G304 PolarHBondContact O-N 3.32Å; N300-L305 HydrophobicContact CB-CB 3.98Å; N300-L305 HydrophobicContact CB-CD1 4.5Å; N300-L305 HydrophobicContact CB-CG 4.41Å; N300-L305 PolarHBondContact N-O 3.48Å; N300-L305 PolarHBondContact O-N 2.94Å; N300-D369 PolarHBondContact ND2-O 3.33Å; N300-D373 WeakPolarHBondContact CA-OD1 3.26Å; N300-D373 WeakPolarHBondContact CB-OD1 3.44Å; N300-D373 PolarHBondContact ND2-OD1 2.82Å
301P93.2Very high96.2Very high40 Ų4031.7 Ų31.726%0.2618%0.175SC..THydrogen-bonded Turntrans-72.6-33.5-178.628.1-32.8000113.2Q372P301-Q372 VanDerWaalsContact CD-O 3.26Å; P301-Q372 WeakPolarHBondContact CD-O 3.39Å; P301-Q372 HydrophobicContact CG-CB 4.17Å
302K92.1Very high96.1Very high93 Ų9329.5 Ų29.540%0.40416%0.164SC..THydrogen-bonded Turntrans-66.7-51.7-176.5-171.3-174.6-175.9-169.20112N300 D367 D369N300-K302 PolarHBondContact OD1-N 2.86Å; K302-D367 PolarHBondContact NZ-O 2.81Å; K302-D369 WeakPolarHBondContact CE-OD1 3.49Å; K302-D369 IonicContact NZ-OD1 3.87Å; K302-D369 PolarHBondContact NZ-OD1 3.41Å
303L93.5Very high96.2Very high59 Ų5924.8 Ų24.831%0.30915%0.149SC..THydrogen-bonded Turntrans-87.2-9.3-178.7-67-177.6000114.1N300 L305 D369 F370N300-L303 PolarHBondContact OD1-N 2.89Å; L303-L305 HydrophobicContact CB-CD1 4Å; L303-L305 HydrophobicContact CB-CG 3.83Å; L303-L305 HydrophobicContact CD1-CD1 4Å; L303-D369 HydrophobicContact CD1-CB 3.9Å; L303-D369 HydrophobicContact CD2-CB 4.22Å; L303-D369 HydrophobicContact CG-CB 4.09Å; L303-F370 HydrophobicContact CD1-CE1 3.81Å; L303-F370 HydrophobicContact CD1-CZ 3.94Å
304G95.1Very high96.2Very high9 Ų924.4 Ų24.49%0.09315%0.145CC..THydrogen-bonded Turntrans84.127.6179.800000114.2Q123 I124 V219 N300Q123-G304 CarbonylContact C-O 3.56Å; I124-G304 PolarHBondContact N-O 2.85Å; V219-G304 WeakPolarHBondContact CG2-O 3.29Å; N300-G304 CarbonylContact O-C 3.56Å; N300-G304 PolarHBondContact O-N 3.32Å
305L97.4Very high96.2Very high12 Ų1226.4 Ų26.46%0.06316%0.158CC..EExtended strand (participates in β ladder)trans-104.1142.3-167.9-50.4175.8000114.3L104 I121 F122 Q123 I299 N300 L303 Y307L104-L305 HydrophobicContact CD1-CD2 3.72Å; I121-L305 HydrophobicContact CG2-CB 4.34Å; I121-L305 HydrophobicContact CG2-CD1 4.45Å; I121-L305 HydrophobicContact CG2-CD2 4.16Å; F122-L305 CarbonylContact O-C 3.56Å; F122-L305 VanDerWaalsContact O-CA 3.29Å; F122-L305 WeakPolarHBondContact O-CA 3.29Å; Q123-L305 HydrophobicContact CB-CD2 3.85Å; Q123-L305 HydrophobicContact CG-CD2 3.99Å; I299-L305 WeakPolarHBondContact CA-O 3.4Å; N300-L305 HydrophobicContact CB-CB 3.98Å; N300-L305 HydrophobicContact CB-CD1 4.5Å; N300-L305 HydrophobicContact CB-CG 4.41Å; N300-L305 PolarHBondContact N-O 3.48Å; N300-L305 PolarHBondContact O-N 2.94Å; L303-L305 HydrophobicContact CB-CD1 4Å; L303-L305 HydrophobicContact CB-CG 3.83Å; L303-L305 HydrophobicContact CD1-CD1 4Å; L305-Y307 HydrophobicContact CB-CE2 3.87Å; L305-Y307 HydrophobicContact CD1-CE2 4.42Å
306I97.9Very high96.2Very high0 Ų028.1 Ų28.10%017%0.171CC..EExtended strand (participates in β ladder)trans-124.1132.9170.1-59.6-173.4000109.6F122 I124 V219 F222 I296 I299 V308 L322F122-I306 HydrophobicContact CB-CB 4.34Å; F122-I306 PolarHBondContact N-O 2.82Å; F122-I306 PolarHBondContact O-N 2.86Å; I124-I306 HydrophobicContact CD1-CD1 3.32Å; I124-I306 HydrophobicContact CD1-CG1 3.76Å; I124-I306 HydrophobicContact CG1-CD1 4.38Å; V219-I306 HydrophobicContact CG1-CD1 3.94Å; V219-I306 HydrophobicContact CG1-CG1 3.49Å; V219-I306 VanDerWaalsContact CG1-CG1 3.49Å; F222-I306 HydrophobicContact CB-CD1 4.47Å; F222-I306 HydrophobicContact CD2-CD1 3.67Å; F222-I306 HydrophobicContact CE2-CD1 4.43Å; F222-I306 HydrophobicContact CG-CD1 4.49Å; I296-I306 HydrophobicContact CB-CG2 4.48Å; I296-I306 HydrophobicContact CD1-CG2 4.27Å; I296-I306 HydrophobicContact CG1-CG2 4.05Å; I296-I306 HydrophobicContact CG2-CG2 3.76Å; I299-I306 HydrophobicContact CG1-CG1 4.4Å; I306-V308 HydrophobicContact CG2-CG2 3.85Å; I306-L322 HydrophobicContact CD1-CD1 4.18Å
307Y98Very high96.1Very high10 Ų1034.2 Ų34.24%0.03920%0.199CC..EExtended strand (participates in β ladder)trans-108.8124.9177-63.7-109.9000110.1Y107 L109 I121 V297 R298 L305Y107-Y307 HydrophobicContact CD1-CE1 4.34Å; L109-Y307 HydrophobicContact CD1-CD1 4.13Å; I121-Y307 HydrophobicContact CD1-CD1 4.22Å; I121-Y307 HydrophobicContact CD1-CE1 3.51Å; I121-Y307 HydrophobicContact CG1-CD1 3.72Å; I121-Y307 HydrophobicContact CG1-CE1 3.52Å; I121-Y307 HydrophobicContact CG2-CE1 4.42Å; V297-Y307 PolarHBondContact N-O 3.28Å; R298-Y307 HydrophobicContact CB-CD2 3.85Å; R298-Y307 HydrophobicContact CB-CG 3.95Å; R298-Y307 HydrophobicContact CG-CD2 3.68Å; R298-Y307 HydrophobicContact CG-CE2 4.04Å; R298-Y307 HydrophobicContact CG-CG 4.17Å; R298-Y307 WeakPolarHBondContact O-CD2 3.48Å; R298-Y307 PolarHBondContact O-N 2.88Å; L305-Y307 HydrophobicContact CB-CE2 3.87Å; L305-Y307 HydrophobicContact CD1-CE2 4.42Å
308V97.7Very high96.1Very high0 Ų035.2 Ų35.20%021%0.206CC..EExtended strand (participates in β ladder)trans-129.9132.5-176.9178.30000109.5C119 T120 F122 I230 V294 I306C119-V308 CarbonylContact C-O 3.4Å; C119-V308 VanDerWaalsContact CA-O 3.29Å; C119-V308 WeakPolarHBondContact CA-O 3.26Å; T120-V308 PolarHBondContact N-O 2.67Å; T120-V308 PolarHBondContact O-N 2.86Å; T120-V308 PolarHBondContact OG1-O 2.83Å; F122-V308 HydrophobicContact CD2-CB 4.47Å; F122-V308 HydrophobicContact CD2-CG2 4.1Å; F122-V308 HydrophobicContact CE2-CB 4.21Å; F122-V308 HydrophobicContact CE2-CG2 4.17Å; I230-V308 HydrophobicContact CD1-CB 4.34Å; I230-V308 HydrophobicContact CD1-CG1 3.81Å; I230-V308 HydrophobicContact CD1-CG2 4.26Å; V294-V308 HydrophobicContact CB-CG1 3.6Å; V294-V308 HydrophobicContact CG1-CG1 3.15Å; V294-V308 HydrophobicContact CG2-CG1 4.5Å; I306-V308 HydrophobicContact CG2-CG2 3.85Å
309P96.9Very high96.1Very high29 Ų2938 Ų3819%0.18822%0.217CC..EExtended strand (participates in β ladder)trans-72.3149.1-175.530-34.1000111.6M117 V294 M295 V297M117-P309 HydrophobicContact CE-CB 4.06Å; M117-P309 HydrophobicContact CG-CB 4.16Å; M117-P309 HydrophobicContact SD-CB 4.01Å; V294-P309 HydrophobicContact CG1-CG 3.9Å; V294-P309 WeakPolarHBondContact CG1-O 3.26Å; M295-P309 WeakPolarHBondContact O-CD 3.12Å; V297-P309 HydrophobicContact CG2-CG 3.97Å
310G94.8Very high96.1Very high36 Ų3637.9 Ų37.937%0.37122%0.217SC..BIsolated β-bridgetrans81.4-168.1177.100000113.4D118 T120D118-G310 PolarHBondContact O-N 3.38Å; T120-G310 WeakPolarHBondContact CG2-O 3.03Å
311T94.6Very high96.2Very high113 Ų11339.2 Ų39.269%0.69322%0.224SC*.  trans-98.6143.2-175.857.70000111.4L291L291-T311 WeakPolarHBondContact CD2-O 3.45Å
312T96.5Very high96.4Very high10 Ų1037.3 Ų37.36%0.06121%0.211CC..  trans-116.1150.3-177.553.60000111.1K103 T120 F122 I230 L291K103-T312 WeakPolarHBondContact CD-OG1 3.5Å; K103-T312 VanDerWaalsContact CE-OG1 3.26Å; K103-T312 WeakPolarHBondContact CE-OG1 3.12Å; K103-T312 PolarHBondContact NZ-O 3.19Å; K103-T312 PolarHBondContact NZ-OG1 3.14Å; T120-T312 HydrophobicContact CG2-CG2 3.97Å; T120-T312 WeakPolarHBondContact CG2-OG1 3.39Å; T120-T312 VanDerWaalsContact OG1-CG2 3.24Å; T120-T312 WeakPolarHBondContact OG1-CG2 3.49Å; F122-T312 HydrophobicContact CE2-CG2 3.84Å; F122-T312 HydrophobicContact CZ-CG2 3.54Å; I230-T312 HydrophobicContact CD1-CG2 3.86Å; I230-T312 HydrophobicContact CG2-CG2 4.39Å; L291-T312 HydrophobicContact CD2-CG2 3.83Å
313P97Very high96.6Very high19 Ų1934 Ų3412%0.12320%0.198CC..SBendtrans-62.7142.2-179.123.4-30.7000111.3A232 T234 R289A232-P313 HydrophobicContact CB-CB 4.22Å; A232-P313 HydrophobicContact CB-CG 3.97Å; A232-P313 VanDerWaalsContact CB-O 3.27Å; A232-P313 WeakPolarHBondContact CB-O 3.27Å; T234-P313 HydrophobicContact CG2-CB 4.22Å; R289-P313 HydrophobicContact CB-CB 4.46Å; R289-P313 WeakPolarHBondContact O-CG 3.41Å
314G96.1Very high96.8Very high6 Ų631.3 Ų31.36%0.06218%0.184CC..SBendtrans97.6160.1173.600000115.1K103 R233K103-G314 PolarHBondContact NZ-O 3.45Å; R233-G314 WeakPolarHBondContact O-CA 3.5Å
315P96.8Very high96.8Very high60 Ų6031.1 Ų31.139%0.3918%0.181SC..  trans-71.3170.1177.731.1-33.7000111.4I235 S318I235-P315 HydrophobicContact CG1-CB 4.2Å; P315-S318 VanDerWaalsContact O-CB 3.31Å; P315-S318 WeakPolarHBondContact O-CB 3.4Å; P315-S318 PolarHBondContact O-N 2.89Å; P315-S318 PolarHBondContact O-OG 3.22Å
316V96.9Very high96.5Very high77 Ų7735.6 Ų35.647%0.46720%0.197SC..THydrogen-bonded Turntrans-60.4146.9168.7179.50000109.7L104 S318L104-V316 WeakPolarHBondContact O-CG1 3.43Å; V316-S318 PolarHBondContact O-N 2.92Å
317H96.8Very high96.4Very high129 Ų12938.8 Ų38.860%0.59721%0.214SC*.THydrogen-bonded Turntrans62.615-172-55-59.6000116K103K103-H317 WeakPolarHBondContact O-CA 3.46Å; K103-H317 PolarHBondContact O-N 3.1Å
318S96.3Very high96.2Very high20 Ų2046.7 Ų46.714%0.1424%0.244CC..  trans-83148.7173.465.60000112.6K103 P315 V316K103-S318 PolarHBondContact N-O 2.88Å; K103-S318 VanDerWaalsContact N-O 3.09Å; P315-S318 VanDerWaalsContact O-CB 3.31Å; P315-S318 WeakPolarHBondContact O-CB 3.4Å; P315-S318 PolarHBondContact O-N 2.89Å; P315-S318 PolarHBondContact O-OG 3.22Å; V316-S318 PolarHBondContact O-N 2.92Å
319Y97.3Very high96.1Very high73 Ų7351.7 Ų51.729%0.28627%0.271SS..EExtended strand (participates in β ladder)trans-70.5129.2171.7-57.4-65.2000110.9I100 A101 I102 F174 R198 K199I100-Y319 HydrophobicContact CG2-CD1 4.48Å; A101-Y319 CarbonylContact O-C 3.57Å; A101-Y319 WeakPolarHBondContact O-CA 2.99Å; I102-Y319 HydrophobicContact CD1-CD1 4.28Å; I102-Y319 HydrophobicContact CD1-CE1 3.94Å; I102-Y319 HydrophobicContact CG1-CD1 3.89Å; I102-Y319 HydrophobicContact CG1-CE1 4.05Å; F174-Y319 HydrophobicContact CD2-CD1 4.47Å; F174-Y319 AromaticContact CD2-CE1 3.68Å; F174-Y319 HydrophobicContact CD2-CE1 3.68Å; F174-Y319 HydrophobicContact CE2-CD1 4.37Å; F174-Y319 AromaticContact CE2-CE1 3.82Å; F174-Y319 HydrophobicContact CE2-CE1 3.82Å; R198-Y319 WeakPolarHBondContact CD-OH 3.41Å; K199-Y319 HydrophobicContact CB-CD1 4.14Å; K199-Y319 HydrophobicContact CB-CD2 4.4Å; K199-Y319 HydrophobicContact CB-CE1 3.99Å; K199-Y319 HydrophobicContact CB-CE2 4.24Å; K199-Y319 HydrophobicContact CB-CG 4.35Å; K199-Y319 HydrophobicContact CD-CD2 3.98Å; K199-Y319 HydrophobicContact CD-CE2 4.31Å; K199-Y319 HydrophobicContact CD-CG 4.3Å; K199-Y319 HydrophobicContact CG-CD1 4.12Å; K199-Y319 HydrophobicContact CG-CD2 4.05Å; K199-Y319 HydrophobicContact CG-CE1 4.45Å; K199-Y319 HydrophobicContact CG-CE2 4.37Å; K199-Y319 HydrophobicContact CG-CG 3.92Å
320C97.6Very high95.9Very high0 Ų053.8 Ų53.80%028%0.275CS..EExtended strand (participates in β ladder)trans-121143.8175.2-59.70000109.6I100 A101 F122 I230 A232I100-C320 WeakPolarHBondContact CA-O 3.27Å; A101-C320 PolarHBondContact N-O 2.91Å; A101-C320 PolarHBondContact O-N 3.47Å; F122-C320 HydrophobicContact CD1-CB 4.24Å; F122-C320 HydrophobicContact CE1-CB 3.74Å; I230-C320 HydrophobicContact CG2-CB 4.29Å; A232-C320 HydrophobicContact CB-CB 4.23Å; A232-C320 VanDerWaalsContact CB-SG 3.56Å
321L98Very high95.8Very high29 Ų2953.8 Ų53.815%0.15226%0.263CS..EExtended strand (participates in β ladder)trans-99.8122.2173.1-54.6174000107.3I100 S201 F203 I230 T231I100-L321 HydrophobicContact CG1-CD2 3.9Å; S201-L321 WeakPolarHBondContact OG-CD1 3.24Å; S201-L321 WeakPolarHBondContact OG-CD2 3.09Å; F203-L321 HydrophobicContact CE1-CB 4.24Å; F203-L321 HydrophobicContact CZ-CB 4.35Å; F203-L321 HydrophobicContact CZ-CD2 4.02Å; I230-L321 CarbonylContact C-O 3.59Å; I230-L321 WeakPolarHBondContact CA-O 3.42Å; T231-L321 PolarHBondContact N-O 3.2Å; T231-L321 PolarHBondContact O-N 3.03Å
322L98Very high95.7Very high0 Ų053.2 Ų53.20%025%0.248CC..EExtended strand (participates in β ladder)trans-105.7125.6175.8-56-177.7000108G98 L99 A101 F122 F222 L228 I230 I306G98-L322 CarbonylContact C-O 3.55Å; G98-L322 WeakPolarHBondContact CA-O 3.41Å; L99-L322 PolarHBondContact N-O 3.22Å; L99-L322 PolarHBondContact O-N 2.92Å; A101-L322 HydrophobicContact CB-CD1 3.7Å; A101-L322 HydrophobicContact CB-CG 4.05Å; F122-L322 HydrophobicContact CB-CD1 4.39Å; F122-L322 HydrophobicContact CD2-CD2 4.43Å; F122-L322 HydrophobicContact CE2-CD2 4.42Å; F122-L322 HydrophobicContact CG-CD1 4.46Å; F222-L322 HydrophobicContact CE2-CB 3.96Å; F222-L322 HydrophobicContact CZ-CB 4.14Å; L228-L322 HydrophobicContact CD1-CB 4.38Å; L228-L322 HydrophobicContact CD1-CD1 4.4Å; L228-L322 HydrophobicContact CD1-CD2 4.41Å; I230-L322 HydrophobicContact CB-CD2 4.22Å; I230-L322 HydrophobicContact CD1-CD2 4.06Å; I230-L322 HydrophobicContact CG1-CD2 3.66Å; I230-L322 HydrophobicContact CG2-CD2 3.94Å; I306-L322 HydrophobicContact CD1-CD1 4.18Å
323N96.2Very high95.5Very high22 Ų2256.8 Ų56.812%0.11827%0.265CS..EExtended strand (participates in β ladder)trans-139.7158.9174.362.2-76.2000109.7F203 L228 D229F203-N323 HydrophobicContact CD1-CB 4.45Å; F203-N323 HydrophobicContact CE1-CB 4.45Å; L228-N323 CarbonylContact C-O 3.57Å; L228-N323 VanDerWaalsContact CA-O 3.29Å; L228-N323 WeakPolarHBondContact CA-O 3.48Å; D229-N323 PolarHBondContact N-O 2.97Å; D229-N323 PolarHBondContact O-N 3.22Å; D229-N323 VanDerWaalsContact O-N 3.08Å; D229-N323 PolarHBondContact O-OD1 3.28Å
324D96.5Very high95.2Very high4 Ų456.7 Ų56.72%0.02126%0.263CS..EExtended strand (participates in β ladder)trans-56.7145.8172.1-61.7-33000110.7R96 F222 W326 L334R96-D324 WeakPolarHBondContact CD-OD2 3.36Å; R96-D324 WeakPolarHBondContact CG-OD2 3.35Å; R96-D324 IonicContact CZ-OD1 3.79Å; R96-D324 IonicContact CZ-OD2 3.62Å; R96-D324 IonicContact NE-OD1 2.98Å; R96-D324 PolarHBondContact NE-OD1 3.39Å; R96-D324 IonicContact NE-OD2 2.71Å; R96-D324 PolarHBondContact NE-OD2 3.42Å; R96-D324 IonicContact NH2-OD1 3.46Å; R96-D324 PolarHBondContact NH2-OD1 3.41Å; R96-D324 IonicContact NH2-OD2 3.83Å; F222-D324 WeakPolarHBondContact CE1-OD1 3.44Å; D324-W326 PolarHBondContact O-N 3.31Å; D324-L334 HydrophobicContact CB-CD1 3.94Å
325S95.7Very high95.1Very high5 Ų557.3 Ų57.34%0.03527%0.265CS..  trans-66.8132.9-175.7-172.20000112.8Y227 D229 G293 L327Y227-S325 WeakPolarHBondContact O-CB 3.12Å; Y227-S325 PolarHBondContact O-N 3.26Å; D229-S325 VanDerWaalsContact OD1-CA 3.29Å; D229-S325 WeakPolarHBondContact OD1-CA 3.38Å; D229-S325 VanDerWaalsContact OD1-CB 3.25Å; D229-S325 WeakPolarHBondContact OD1-CB 3Å; D229-S325 PolarHBondContact OD1-OG 2.8Å; G293-S325 WeakPolarHBondContact CA-OG 3.24Å; G293-S325 PolarHBondContact N-OG 3.14Å; S325-L327 VanDerWaalsContact C-N 3.29Å; S325-L327 PolarHBondContact O-N 3.26Å; S325-L327 PolarHBondContact OG-N 2.84Å
326W91.8Very high94.9Very high106 Ų10660.9 Ų60.940%0.40228%0.28SS..  trans-84.11.7173.1-87-17.9000114.2Q95 L204 D229 R292 D324 R328Q95-W326 VanDerWaalsContact OE1-NE1 3.15Å; L204-W326 HydrophobicContact CD1-CH2 3.9Å; L204-W326 HydrophobicContact CD1-CZ2 4.03Å; D229-W326 PolarHBondContact OD2-N 2.74Å; D229-W326 VanDerWaalsContact OD2-N 3.08Å; R292-W326 PolarHBondContact NH2-O 3.37Å; D324-W326 PolarHBondContact O-N 3.31Å; W326-R328 PolarHBondContact O-N 3.07Å
327L95.4Very high94.7Very high66 Ų6662 Ų6235%0.34628%0.284SS..  trans-67.4131.1176.3-70.4175.4000110.1R292 S325 N329 R330 R331R292-L327 HydrophobicContact CB-CD1 4.42Å; R292-L327 HydrophobicContact CB-CG 4.45Å; S325-L327 VanDerWaalsContact C-N 3.29Å; S325-L327 PolarHBondContact O-N 3.26Å; S325-L327 PolarHBondContact OG-N 2.84Å; L327-N329 VanDerWaalsContact C-N 3.27Å; L327-N329 PolarHBondContact O-N 2.75Å; L327-R330 HydrophobicContact CB-CB 4.21Å; L327-R330 HydrophobicContact CB-CG 3.89Å; L327-R330 HydrophobicContact CD1-CG 4.26Å; L327-R330 PolarHBondContact O-N 3Å; L327-R331 PolarHBondContact O-N 3.3Å
328R93.6Very high94.5Very high177 Ų17758.6 Ų58.667%0.66827%0.273SS*.Hα-helixtrans-53.5-42.6-176.4-174.7179179.3-141.65.9112.9W326 R331 R332W326-R328 PolarHBondContact O-N 3.07Å; R328-R331 PolarHBondContact O-N 3.01Å; R328-R332 VanDerWaalsContact NH2-NH2 3.2Å; R328-R332 WeakPolarHBondContact O-CG 3.13Å; R328-R332 PolarHBondContact O-N 2.87Å
329N94.5Very high94.3Very high105 Ų10558 Ų5856%0.56127%0.269SS*.Hα-helixtrans-67.9-38.3179.9-64.6-3.9000112L327 R332 Q333L327-N329 VanDerWaalsContact C-N 3.27Å; L327-N329 PolarHBondContact O-N 2.75Å; N329-R332 PolarHBondContact O-N 2.83Å; N329-Q333 PolarHBondContact O-N 2.7Å
330R93.9Very high94.1Very high73 Ų7356.1 Ų56.128%0.27527%0.266SS..Hα-helixtrans-71.7-35.4178-56.8-49.8-178-161.60.2111.9Y227 L327 R332 Q333 L334Y227-R330 HydrophobicContact CD1-CG 4.17Å; Y227-R330 HydrophobicContact CD2-CG 4.43Å; Y227-R330 VanDerWaalsContact CE1-NE 3.31Å; Y227-R330 HydrophobicContact CG-CB 4.28Å; Y227-R330 HydrophobicContact CG-CG 3.97Å; Y227-R330 PolarHBondContact OH-NH1 2.81Å; L327-R330 HydrophobicContact CB-CB 4.21Å; L327-R330 HydrophobicContact CB-CG 3.89Å; L327-R330 HydrophobicContact CD1-CG 4.26Å; L327-R330 PolarHBondContact O-N 3Å; R330-R332 VanDerWaalsContact C-N 3.29Å; R330-R332 PolarHBondContact O-N 2.96Å; R330-Q333 VanDerWaalsContact CD-OE1 3.31Å; R330-Q333 WeakPolarHBondContact O-CB 3.29Å; R330-Q333 PolarHBondContact O-N 2.94Å; R330-L334 WeakPolarHBondContact O-CB 3.29Å; R330-L334 PolarHBondContact O-N 2.93Å
331R91.9Very high93.8Very high36 Ų3657.1 Ų57.114%0.13627%0.272CS..Hα-helixtrans-66.1-30.7175.4-162.6169.1-168.9178.72113Y92 T94 L327 R328 N335Y92-R331 PolarHBondContact O-NH2 2.77Å; Y92-R331 VanDerWaalsContact O-NH2 3.11Å; T94-R331 PolarHBondContact O-NH2 3.4Å; L327-R331 PolarHBondContact O-N 3.3Å; R328-R331 PolarHBondContact O-N 3.01Å; R331-N335 PolarHBondContact O-N 2.6Å; R331-N335 PolarHBondContact O-ND2 3.29Å
332R92.2Very high93.4Very high100 Ų10056.4 Ų56.438%0.37727%0.269SS..Hα-helixtrans-63-52.6170.7-71.9173.1175.2-175.8-6.5110.9Y92 R328 N329 R330 L334 N335 D336Y92-R332 HydrophobicContact CE1-CG 4.46Å; R328-R332 VanDerWaalsContact NH2-NH2 3.2Å; R328-R332 WeakPolarHBondContact O-CG 3.13Å; R328-R332 PolarHBondContact O-N 2.87Å; N329-R332 PolarHBondContact O-N 2.83Å; R330-R332 VanDerWaalsContact C-N 3.29Å; R330-R332 PolarHBondContact O-N 2.96Å; R332-L334 PolarHBondContact O-N 2.75Å; R332-N335 WeakPolarHBondContact O-CA 3.48Å; R332-N335 WeakPolarHBondContact O-CB 3.26Å; R332-N335 PolarHBondContact O-N 2.69Å; R332-D336 PolarHBondContact O-N 3.29Å
333Q92.7Very high93.2Very high86 Ų8656.7 Ų56.740%0.40227%0.271SS..Hα-helixtrans-55.4-40.1177.2-65.7175.1-3200112.1N329 R330 D336 N337N329-Q333 PolarHBondContact O-N 2.7Å; R330-Q333 VanDerWaalsContact CD-OE1 3.31Å; R330-Q333 WeakPolarHBondContact O-CB 3.29Å; R330-Q333 PolarHBondContact O-N 2.94Å; Q333-D336 PolarHBondContact O-N 3.31Å; Q333-N337 PolarHBondContact O-N 3.29Å
334L91.9Very high92.9Very high16 Ų1659.4 Ų59.48%0.08428%0.28CS..Hα-helixtrans-69.4-34.5176.8-166.3153.2000112.6W89 D324 R330 R332 N337 P338 P339W89-L334 HydrophobicContact CD2-CD2 4.5Å; W89-L334 HydrophobicContact CE3-CD2 4.39Å; W89-L334 HydrophobicContact CH2-CD2 3.09Å; W89-L334 HydrophobicContact CZ2-CD2 3.09Å; W89-L334 HydrophobicContact CZ3-CD2 3.76Å; D324-L334 HydrophobicContact CB-CD1 3.94Å; R330-L334 WeakPolarHBondContact O-CB 3.29Å; R330-L334 PolarHBondContact O-N 2.93Å; R332-L334 PolarHBondContact O-N 2.75Å; L334-N337 CarbonylContact O-C 3.39Å; L334-P338 VanDerWaalsContact O-CA 3.3Å; L334-P338 WeakPolarHBondContact O-CA 3.32Å; L334-P339 HydrophobicContact CD1-CG 4.46Å; L334-P339 VanDerWaalsContact CD2-CD 3.47Å; L334-P339 HydrophobicContact CD2-CG 3.85Å; L334-P339 HydrophobicContact CG-CG 4.16Å
335N92.6Very high92.4Very high20 Ų2061.4 Ų61.411%0.10729%0.288CS..Hα-helixtrans-70.1-33.5173.5-68.2-27.3000112.3W89 P91 Y92 R331 R332W89-N335 PolarHBondContact NE1-OD1 3.4Å; W89-N335 VanDerWaalsContact NE1-OD1 3.15Å; P91-N335 WeakPolarHBondContact CA-OD1 3.49Å; P91-N335 HydrophobicContact CB-CB 4.2Å; Y92-N335 WeakPolarHBondContact CD1-ND2 3.47Å; Y92-N335 VanDerWaalsContact CE1-ND2 3.29Å; Y92-N335 WeakPolarHBondContact CE1-ND2 3.43Å; Y92-N335 WeakPolarHBondContact CE2-ND2 3.31Å; Y92-N335 PolarHBondContact N-OD1 2.97Å; R331-N335 PolarHBondContact O-N 2.6Å; R331-N335 PolarHBondContact O-ND2 3.29Å; R332-N335 WeakPolarHBondContact O-CA 3.48Å; R332-N335 WeakPolarHBondContact O-CB 3.26Å; R332-N335 PolarHBondContact O-N 2.69Å
336D93.1Very high91.6Very high134 Ų13464.6 Ų64.672%0.71731%0.309SS*.Hα-helixtrans-68.3-36.6179.6-58.6-29.5000111.1R332 Q333R332-D336 PolarHBondContact O-N 3.29Å; Q333-D336 PolarHBondContact O-N 3.31Å
337N92.9Very high90.9Very high100 Ų10064.5 Ų64.554%0.53532%0.322SS..SBendtrans-125.186.8171.5-176.4-6.6000110.2R223 Q333 L334R223-N337 PolarHBondContact NH1-OD1 2.77Å; R223-N337 PolarHBondContact NH2-O 3.11Å; Q333-N337 PolarHBondContact O-N 3.29Å; L334-N337 CarbonylContact O-C 3.39Å
338P92.8Very high89.4Confident58 Ų5866 Ų6638%0.37734%0.338SS..PPolyproline II helixtrans-64.9136.8-173.326.4-34.3000111.8W89 R223 L334W89-P338 HydrophobicContact CB-CB 3.6Å; W89-P338 HydrophobicContact CD2-CB 4.05Å; W89-P338 HydrophobicContact CG-CB 3.48Å; W89-P338 VanDerWaalsContact CG-CB 3.48Å; R223-P338 PolarHBondContact NH1-O 2.83Å; R223-P338 VanDerWaalsContact NH2-C 3.34Å; R223-P338 PolarHBondContact NH2-O 2.93Å; L334-P338 VanDerWaalsContact O-CA 3.3Å; L334-P338 WeakPolarHBondContact O-CA 3.32Å
339P92.7Very high87.3Confident7 Ų764.2 Ų64.25%0.04534%0.34CS..PPolyproline II helixtrans-80.8170.2177.136.5-38.5000112.8W89 R96 R223 L334 V341W89-P339 HydrophobicContact CE3-CG 4.02Å; W89-P339 HydrophobicContact CZ3-CG 3.81Å; R96-P339 VanDerWaalsContact CZ-CB 3.48Å; R96-P339 VanDerWaalsContact NH1-CB 3.33Å; R223-P339 VanDerWaalsContact NH2-N 3.19Å; L334-P339 HydrophobicContact CD1-CG 4.46Å; L334-P339 VanDerWaalsContact CD2-CD 3.47Å; L334-P339 HydrophobicContact CD2-CG 3.85Å; L334-P339 HydrophobicContact CG-CG 4.16Å; P339-V341 WeakPolarHBondContact O-CG2 3.35Å; P339-V341 PolarHBondContact O-N 2.91Å
340P91.4Very high84.7Confident35 Ų3564.3 Ų64.323%0.22735%0.345CS..PPolyproline II helixtrans-57.4131.1176.123.1-34.4000111.1R96R96-P340 PolarHBondContact NH1-O 3.3Å
341V91.8Very high81.8Confident21 Ų2168 Ų6813%0.12737%0.37CS..SBendtrans-123.6136.4179.5-178.30000109.2W89 T94 A209 P339 T343W89-V341 HydrophobicContact CB-CG2 4.08Å; W89-V341 HydrophobicContact CD2-CG2 4.3Å; W89-V341 HydrophobicContact CE3-CG2 3.41Å; W89-V341 VanDerWaalsContact CE3-CG2 3.41Å; W89-V341 HydrophobicContact CZ3-CG2 4.19Å; T94-V341 HydrophobicContact CG2-CG1 4.3Å; T94-V341 HydrophobicContact CG2-CG2 4.37Å; A209-V341 HydrophobicContact CB-CG1 4.19Å; P339-V341 WeakPolarHBondContact O-CG2 3.35Å; P339-V341 PolarHBondContact O-N 2.91Å; V341-T343 VanDerWaalsContact C-N 3.34Å
342P90.9Very high79Confident14 Ų1473.1 Ų73.19%0.09140%0.395CS..SBendcis-68.3-31-727.4-35.1000112.8L211 H221 F345L211-P342 HydrophobicContact CD2-CB 3.77Å; L211-P342 HydrophobicContact CD2-CG 3.77Å; L211-P342 HydrophobicContact CG-CB 4.24Å; H221-P342 PolarHBondContact CE1-O 2.94Å; P342-F345 HydrophobicContact CG-CE2 4.14Å; P342-F345 HydrophobicContact CG-CZ 4.28Å
343T92.4Very high76.1Confident5 Ų575.2 Ų75.23%0.03142%0.419CS..  trans-148.3173.9179.955.70000109.5L211 L217 H221 V341 F345L211-T343 HydrophobicContact CD1-CG2 3.6Å; L211-T343 HydrophobicContact CD2-CG2 3.55Å; L211-T343 HydrophobicContact CG-CG2 4.08Å; L217-T343 HydrophobicContact CD2-CG2 3.29Å; H221-T343 WeakPolarHBondContact ND1-CA 3.4Å; H221-T343 WeakPolarHBondContact ND1-CG2 3.16Å; V341-T343 VanDerWaalsContact C-N 3.34Å; T343-F345 WeakPolarHBondContact OG1-CZ 3.48Å
344Y89.9Confident73.4Confident80 Ų8075.4 Ų75.431%0.31443%0.43SS..  trans-74.3130.7168175-94.5000110.7N220 P346N220-Y344 HydrophobicContact CB-CD1 3.34Å; N220-Y344 HydrophobicContact CB-CD2 4.05Å; N220-Y344 HydrophobicContact CB-CE1 3.67Å; N220-Y344 HydrophobicContact CB-CE2 4.35Å; N220-Y344 HydrophobicContact CB-CG 3.53Å; N220-Y344 WeakPolarHBondContact ND2-CE1 3.4Å; N220-Y344 VanDerWaalsContact O-CB 3.28Å; N220-Y344 WeakPolarHBondContact O-CB 3.48Å; Y344-P346 HydrophobicContact CE1-CB 4.34Å
345F85.7Confident70.6Confident45 Ų4579.5 Ų79.520%0.19746%0.46CS..  trans-110.7130.4168.2-64-73.5000108.5T215 P342 T343T215-F345 HydrophobicContact CG2-CE1 3.78Å; T215-F345 HydrophobicContact CG2-CZ 4.33Å; P342-F345 HydrophobicContact CG-CE2 4.14Å; P342-F345 HydrophobicContact CG-CZ 4.28Å; T343-F345 WeakPolarHBondContact OG1-CZ 3.48Å
346P80.7Confident67.7Low73 Ų7383.9 Ų83.947%0.47449%0.488SS..PPolyproline II helixtrans-61.4142.6171.527.9-32.7000108.7Y344 S348Y344-P346 HydrophobicContact CE1-CB 4.34Å; P346-S348 PolarHBondContact O-N 2.8Å
347P76.5Confident65.1Low104 Ų10486.2 Ų86.268%0.67549%0.494SS*.PPolyproline II helixtrans-56.2129.4172.924-31.6000108.6I349P347-I349 PolarHBondContact O-N 3.1Å; P347-I349 VanDerWaalsContact O-N 3.16Å
348S62.7Low62.4Low97 Ų9787.6 Ų87.668%0.67850%0.501SS*.PPolyproline II helixtrans-58.5121174.846.60000108.2P346 V350P346-S348 PolarHBondContact O-N 2.8Å; S348-V350 PolarHBondContact O-N 2.83Å
349I50.3Low59.9Low139 Ų13989.6 Ų89.671%0.71351%0.509SS*.SBendtrans-61.886.1174.3-55.1163.9000107.3P347 E352P347-I349 PolarHBondContact O-N 3.1Å; P347-I349 VanDerWaalsContact O-N 3.16Å; I349-E352 HydrophobicContact CG2-CB 4.14Å; I349-E352 HydrophobicContact CG2-CG 4.38Å
350V40.2Very low57.9Low108 Ų10894.9 Ų94.966%0.65554%0.543SS*.  trans-118.2-9.8174.7-174.70000110.8S348S348-V350 PolarHBondContact O-N 2.83Å
351D31.8Very low56.1Low150 Ų15098.3 Ų98.380%0.80257%0.568SS**  trans-130.243.8179.5-66.1-39000113.6
352E33.3Very low53.8Low143 Ų143102.7 Ų102.767%0.66859%0.59SS**  trans-109.761.5163.1-71.3-172.8-175.800110.5I349 S354I349-E352 HydrophobicContact CG2-CB 4.14Å; I349-E352 HydrophobicContact CG2-CG 4.38Å; E352-S354 PolarHBondContact O-N 3.39Å
353T32.9Very low51.4Low144 Ų144106.1 Ų106.188%0.88361%0.613SS**  trans-79.833.8158.949.20000112
354S34.3Very low49.1Very low91 Ų91113.8 Ų113.864%0.63665%0.653SS**  trans-136.653.1168.361.30000109E352 T356E352-S354 PolarHBondContact O-N 3.39Å; S354-T356 PolarHBondContact O-N 3.38Å
355S33.2Very low47Very low101 Ų101114.4 Ų114.471%0.70666%0.662SS**  trans-65.384.9151.3600000106.7Q357S355-Q357 PolarHBondContact O-N 2.85Å
356T32.9Very low45.5Very low113 Ų113118.9 Ų118.969%0.69369%0.693SS**  trans-49.7112.9152.5-500000104.6S354 L358S354-T356 PolarHBondContact O-N 3.38Å; T356-L358 PolarHBondContact O-N 2.96Å
357Q37.2Very low44.6Very low182 Ų182120.5 Ų120.585%0.8570%0.697SS**  trans-58.796.7169.2-71-176.6-17.800105.7S355 D359S355-Q357 PolarHBondContact O-N 2.85Å; Q357-D359 PolarHBondContact O-N 3.04Å
358L36.1Very low44.7Very low130 Ų130120 Ų12068%0.68169%0.689SS**  trans-70119.4167.8-73.3168.5000105.6T356T356-L358 PolarHBondContact O-N 2.96Å
359D40.4Very low45.6Very low100 Ų100118.5 Ų118.554%0.53567%0.673SS.*  trans-50.9126.1176.2-83.5-37.8000109.6Q357 S361 L362Q357-D359 PolarHBondContact O-N 3.04Å; D359-S361 PolarHBondContact O-N 3.25Å; D359-L362 PolarHBondContact O-N 2.68Å
360P50.6Low47.2Very low118 Ų118115.8 Ų115.877%0.76666%0.656SS**THydrogen-bonded Turntrans-57.4-12.4176.9-24.332.4000114.3
361S54Low49.2Very low106 Ų106118 Ų11874%0.74166%0.659SS**THydrogen-bonded Turntrans-86.5-7.2176.553.50000114.8D359D359-S361 PolarHBondContact O-N 3.25Å
362L43.1Very low51.7Low113 Ų113116.9 Ų116.959%0.59265%0.65SS**  trans-95.8-0.2174.3-74.4174.1000113.8D359 L364D359-L362 PolarHBondContact O-N 2.68Å; L362-L364 PolarHBondContact O-N 3.07Å
363C41.1Very low54.5Low87 Ų87110.6 Ų110.659%0.58862%0.621SS**  trans-75.262.3175.4-61.90000112.6D365C363-D365 VanDerWaalsContact C-N 3.29Å
364L44.8Very low57.5Low165 Ų165107.8 Ų107.886%0.86460%0.599SS**  trans-105.544.2142.5-72.3173.5000107.7L362 V366L362-L364 PolarHBondContact O-N 3.07Å; L364-V366 VanDerWaalsContact C-N 3.29Å; L364-V366 PolarHBondContact O-N 2.9Å
365D45.4Very low60.4Low94 Ų94105 Ų10550%0.50358%0.575SS.*  trans-72.793.7174.4-60.2-45.6000107.1C363 D367C363-D365 VanDerWaalsContact C-N 3.29Å; D365-D367 PolarHBondContact O-N 2.81Å
366V54.6Low63.5Low139 Ų139102.4 Ų102.484%0.84255%0.552SS**  trans-65.471.6153.8-175.40000105.5L364 D368L364-V366 VanDerWaalsContact C-N 3.29Å; L364-V366 PolarHBondContact O-N 2.9Å; V366-D368 VanDerWaalsContact C-N 3.34Å; V366-D368 PolarHBondContact O-N 2.87Å
367D62.5Low66.4Low106 Ų106104.9 Ų104.957%0.56756%0.555SS**  trans-6299.9174.2-77.2-35.4000106.6K302 D365 D369K302-D367 PolarHBondContact NZ-O 2.81Å; D365-D367 PolarHBondContact O-N 2.81Å; D367-D369 PolarHBondContact O-N 3.02Å
368D78Confident69.2Low94 Ų9498.3 Ų98.350%0.50353%0.529SS..  trans-58110.7179-173.6-9.8000108.1V366 F370 E371V366-D368 VanDerWaalsContact C-N 3.34Å; V366-D368 PolarHBondContact O-N 2.87Å; D368-F370 PolarHBondContact O-N 2.76Å; D368-F370 WeakPolarHBondContact OD1-CD2 3.35Å; D368-F370 PolarHBondContact OD1-N 3.29Å; D368-F370 VanDerWaalsContact OD1-N 3.1Å; D368-E371 HydrophobicContact CB-CB 4.43Å; D368-E371 PolarHBondContact O-N 2.98Å; D368-E371 VanDerWaalsContact O-N 3.14Å
369D81Confident72.1Confident66 Ų6692.1 Ų92.135%0.35350%0.497SS..THydrogen-bonded Turntrans-59.1-12.3-176.7-75.1-32.5000113.2N300 K302 L303 D367N300-D369 PolarHBondContact ND2-O 3.33Å; K302-D369 WeakPolarHBondContact CE-OD1 3.49Å; K302-D369 IonicContact NZ-OD1 3.87Å; K302-D369 PolarHBondContact NZ-OD1 3.41Å; L303-D369 HydrophobicContact CD1-CB 3.9Å; L303-D369 HydrophobicContact CD2-CB 4.22Å; L303-D369 HydrophobicContact CG-CB 4.09Å; D367-D369 PolarHBondContact O-N 3.02Å
370F83.2Confident74.7Confident81 Ų8189.1 Ų89.136%0.35548%0.48SS..THydrogen-bonded Turntrans-110.52.6-175.4-55.5-76000114.7L303 D368 Q372 D373L303-F370 HydrophobicContact CD1-CE1 3.81Å; L303-F370 HydrophobicContact CD1-CZ 3.94Å; D368-F370 PolarHBondContact O-N 2.76Å; D368-F370 WeakPolarHBondContact OD1-CD2 3.35Å; D368-F370 PolarHBondContact OD1-N 3.29Å; D368-F370 VanDerWaalsContact OD1-N 3.1Å; F370-Q372 VanDerWaalsContact C-N 3.32Å; F370-Q372 PolarHBondContact O-N 2.95Å; F370-D373 WeakPolarHBondContact O-CB 3.48Å; F370-D373 PolarHBondContact O-N 2.9Å
371E82Confident76.7Confident154 Ų15484.3 Ų84.372%0.7245%0.448SS*.THydrogen-bonded Turntrans-65-37-179.8-170.6177.8-172.200112.1D368 D373D368-E371 HydrophobicContact CB-CB 4.43Å; D368-E371 PolarHBondContact O-N 2.98Å; D368-E371 VanDerWaalsContact O-N 3.14Å; E371-D373 PolarHBondContact O-N 3.02Å
372Q84.7Confident78.3Confident127 Ų12783.6 Ų83.659%0.59344%0.443SS*.THydrogen-bonded Turntrans-83.616.7-178.1-60.8-178.60.400113.8P301 F370 I374P301-Q372 VanDerWaalsContact CD-O 3.26Å; P301-Q372 WeakPolarHBondContact CD-O 3.39Å; P301-Q372 HydrophobicContact CG-CB 4.17Å; F370-Q372 VanDerWaalsContact C-N 3.32Å; F370-Q372 PolarHBondContact O-N 2.95Å; Q372-I374 PolarHBondContact O-N 3.02Å
373D92.9Very high80.4Confident12 Ų1286.4 Ų86.46%0.06445%0.448CS..  trans-74.2130.4-176-80.519.4000112.2R298 N300 F370 E371 Y375R298-D373 IonicContact CZ-OD2 2.6Å; R298-D373 IonicContact NE-OD2 3.04Å; R298-D373 PolarHBondContact NE-OD2 3.31Å; R298-D373 IonicContact NH2-OD2 2.69Å; R298-D373 PolarHBondContact NH2-OD2 3.48Å; N300-D373 WeakPolarHBondContact CA-OD1 3.26Å; N300-D373 WeakPolarHBondContact CB-OD1 3.44Å; N300-D373 PolarHBondContact ND2-OD1 2.82Å; F370-D373 WeakPolarHBondContact O-CB 3.48Å; F370-D373 PolarHBondContact O-N 2.9Å; E371-D373 PolarHBondContact O-N 3.02Å; D373-Y375 HydrophobicContact CB-CD2 4.3Å; D373-Y375 HydrophobicContact CB-CE2 3.57Å; D373-Y375 VanDerWaalsContact O-CD2 3.31Å; D373-Y375 WeakPolarHBondContact O-CD2 3.2Å
374I94.9Very high82.8Confident84 Ų8483.8 Ų83.843%0.43143%0.43SS..EExtended strand (participates in β ladder)trans-95.4119.6178.2-48.7173.1000107.4V224 R298 I299 Q372V224-I374 HydrophobicContact CB-CG2 4.28Å; V224-I374 HydrophobicContact CG2-CB 3.9Å; V224-I374 HydrophobicContact CG2-CG2 3.63Å; V224-I374 WeakPolarHBondContact CG2-O 3.46Å; R298-I374 CarbonylContact C-O 3.58Å; R298-I374 VanDerWaalsContact CA-O 3.26Å; R298-I374 WeakPolarHBondContact CA-O 3.43Å; I299-I374 PolarHBondContact N-O 3.03Å; I299-I374 PolarHBondContact O-N 3.5Å; Q372-I374 PolarHBondContact O-N 3.02Å
375Y96.5Very high85.2Confident33 Ų3381.1 Ų81.113%0.12942%0.423CS..EExtended strand (participates in β ladder)trans-106.4146.1-179-66.5-92.4000111.7R298 D373 I379 P381 S382 Y383R298-Y375 HydrophobicContact CB-CD1 4.34Å; R298-Y375 HydrophobicContact CG-CD1 4.13Å; R298-Y375 HydrophobicContact CG-CE1 4.07Å; R298-Y375 PolarHBondContact NH1-OH 2.89Å; R298-Y375 PolarHBondContact NH2-OH 3.45Å; D373-Y375 HydrophobicContact CB-CD2 4.3Å; D373-Y375 HydrophobicContact CB-CE2 3.57Å; D373-Y375 VanDerWaalsContact O-CD2 3.31Å; D373-Y375 WeakPolarHBondContact O-CD2 3.2Å; Y375-I379 HydrophobicContact CD1-CB 4.27Å; Y375-I379 HydrophobicContact CD1-CD1 4.25Å; Y375-I379 HydrophobicContact CD1-CG2 3.69Å; Y375-I379 HydrophobicContact CE1-CG2 4.27Å; Y375-P381 HydrophobicContact CD2-CB 4.09Å; Y375-P381 HydrophobicContact CD2-CG 4.44Å; Y375-P381 HydrophobicContact CE2-CB 4.14Å; Y375-P381 HydrophobicContact CG-CB 4.29Å; Y375-P381 HydrophobicContact CG-CG 4.37Å; Y375-S382 PolarHBondContact OH-OG 2.8Å; Y375-Y383 HydrophobicContact CD2-CE1 4.4Å; Y375-Y383 HydrophobicContact CE2-CE1 4.06Å
376H96.8Very high87.4Confident47 Ų4781.8 Ų81.822%0.21843%0.434CS..  trans-71.9147.8168.7-173.5-100.6000109.1V224 V297 S378 I379V224-H376 VanDerWaalsContact CG1-CA 3.43Å; V224-H376 HydrophobicContact CG1-CB 3.52Å; V224-H376 VanDerWaalsContact CG1-N 3.34Å; V297-H376 HydrophobicContact CG1-CB 3.74Å; V297-H376 VanDerWaalsContact O-CB 3.24Å; V297-H376 WeakPolarHBondContact O-CB 3.44Å; V297-H376 PolarHBondContact O-N 2.91Å; H376-S378 WeakPolarHBondContact ND1-CB 3.06Å; H376-S378 PolarHBondContact ND1-N 3.09Å; H376-S378 PolarHBondContact ND1-OG 3.33Å; H376-S378 PolarHBondContact O-N 3.41Å; H376-I379 PolarHBondContact O-N 2.75Å
377E95.5Very high89.2Confident164 Ų16478 Ų7877%0.76641%0.409SS*.THydrogen-bonded Turntrans-53.7-27.4-176.8-62.9175.1-176.800113.9K112K112-E377 VanDerWaalsContact CD-O 3.28Å; K112-E377 WeakPolarHBondContact CD-O 3.28Å; K112-E377 WeakPolarHBondContact CE-O 3.31Å; K112-E377 PolarHBondContact NZ-O 3.41Å
378S95.2Very high90.6Very high44 Ų4478.1 Ų78.131%0.30842%0.418SS..THydrogen-bonded Turntrans-80.3-20.5179.269.60000114.8T111 K112 H376T111-S378 CarbonylContact C-O 3.57Å; T111-S378 WeakPolarHBondContact CA-O 3.33Å; T111-S378 WeakPolarHBondContact CB-O 3.09Å; K112-S378 PolarHBondContact N-O 2.88Å; H376-S378 WeakPolarHBondContact ND1-CB 3.06Å; H376-S378 PolarHBondContact ND1-N 3.09Å; H376-S378 PolarHBondContact ND1-OG 3.33Å; H376-S378 PolarHBondContact O-N 3.41Å
379I96.6Very high91.1Very high1 Ų179.5 Ų79.51%0.00542%0.417CS..BIsolated β-bridgetrans-79.6143.9178-66.7174.6000109.3L109 K112 V297 R298 Y375 H376 P381L109-I379 HydrophobicContact CD1-CD1 3.95Å; K112-I379 VanDerWaalsContact CE-O 3.31Å; K112-I379 WeakPolarHBondContact CE-O 3.35Å; V297-I379 HydrophobicContact CB-CD1 3.71Å; V297-I379 HydrophobicContact CB-CG1 4.35Å; V297-I379 HydrophobicContact CG1-CD1 3.14Å; V297-I379 HydrophobicContact CG1-CG1 3.27Å; V297-I379 WeakPolarHBondContact O-CD1 3.36Å; R298-I379 HydrophobicContact CB-CD1 4.07Å; Y375-I379 HydrophobicContact CD1-CB 4.27Å; Y375-I379 HydrophobicContact CD1-CD1 4.25Å; Y375-I379 HydrophobicContact CD1-CG2 3.69Å; Y375-I379 HydrophobicContact CE1-CG2 4.27Å; H376-I379 PolarHBondContact O-N 2.75Å; I379-P381 WeakPolarHBondContact O-CD 3.28Å
380H95.6Very high91.4Very high37 Ų3779.4 Ų79.417%0.17142%0.422CS..  trans-81.3113163-176.6-91.3000110.4W110 K112 S384 P385 I387W110-H380 PolarHBondContact O-N 3.26Å; K112-H380 HydrophobicContact CG-CB 4.41Å; H380-S384 PolarHBondContact CD2-OG 2.88Å; H380-S384 VanDerWaalsContact CD2-OG 3.31Å; H380-S384 PolarHBondContact CE1-O 3.5Å; H380-S384 PolarHBondContact CE1-OG 3.3Å; H380-S384 PolarHBondContact NE2-OG 2.92Å; H380-P385 PolarHBondContact CE1-O 3.12Å; H380-P385 PolarHBondContact NE2-O 3.09Å; H380-I387 HydrophobicContact CB-CD1 4.21Å; H380-I387 WeakPolarHBondContact CD2-CG1 3.34Å
381P93.3Very high91.3Very high16 Ų1684.3 Ų84.310%0.10445%0.446CS..  trans-67.1148.3179.4-18.530.8000112.5Y375 I379 Y383 S384Y375-P381 HydrophobicContact CD2-CB 4.09Å; Y375-P381 HydrophobicContact CD2-CG 4.44Å; Y375-P381 HydrophobicContact CE2-CB 4.14Å; Y375-P381 HydrophobicContact CG-CB 4.29Å; Y375-P381 HydrophobicContact CG-CG 4.37Å; I379-P381 WeakPolarHBondContact O-CD 3.28Å; P381-Y383 VanDerWaalsContact C-N 3.27Å; P381-Y383 HydrophobicContact CB-CD1 3.9Å; P381-Y383 HydrophobicContact CB-CE1 3.47Å; P381-Y383 VanDerWaalsContact CB-CE1 3.47Å; P381-Y383 HydrophobicContact CB-CE2 4.2Å; P381-Y383 HydrophobicContact CB-CG 4.42Å; P381-Y383 HydrophobicContact CG-CE1 4.39Å; P381-Y383 PolarHBondContact O-N 3.25Å; P381-S384 WeakPolarHBondContact CD-OG 3.14Å; P381-S384 WeakPolarHBondContact O-CB 3.36Å; P381-S384 PolarHBondContact O-N 3.13Å; P381-S384 PolarHBondContact O-OG 3.03Å
382S86.5Confident91.1Very high91 Ų9186 Ų8664%0.63645%0.454SS*.THydrogen-bonded Turntrans-61.2-31.9-177.849.60000114.4Y375 S384Y375-S382 PolarHBondContact OH-OG 2.8Å; S382-S384 VanDerWaalsContact C-N 3.32Å
383Y88.4Confident90.1Very high173 Ų17383.7 Ų83.768%0.67845%0.452SS*.THydrogen-bonded Turntrans-83.1-8.2179.460.1-96.3000113.3Y375 P381Y375-Y383 HydrophobicContact CD2-CE1 4.4Å; Y375-Y383 HydrophobicContact CE2-CE1 4.06Å; P381-Y383 VanDerWaalsContact C-N 3.27Å; P381-Y383 HydrophobicContact CB-CD1 3.9Å; P381-Y383 HydrophobicContact CB-CE1 3.47Å; P381-Y383 VanDerWaalsContact CB-CE1 3.47Å; P381-Y383 HydrophobicContact CB-CE2 4.2Å; P381-Y383 HydrophobicContact CB-CG 4.42Å; P381-Y383 HydrophobicContact CG-CE1 4.39Å; P381-Y383 PolarHBondContact O-N 3.25Å
384S91.4Very high88.1Confident31 Ų3193 Ų9322%0.21750%0.497CS..SBendtrans-82148.2-177.969.80000111.4H380 P381 S382H380-S384 PolarHBondContact CD2-OG 2.88Å; H380-S384 VanDerWaalsContact CD2-OG 3.31Å; H380-S384 PolarHBondContact CE1-O 3.5Å; H380-S384 PolarHBondContact CE1-OG 3.3Å; H380-S384 PolarHBondContact NE2-OG 2.92Å; P381-S384 WeakPolarHBondContact CD-OG 3.14Å; P381-S384 WeakPolarHBondContact O-CB 3.36Å; P381-S384 PolarHBondContact O-N 3.13Å; P381-S384 PolarHBondContact O-OG 3.03Å; S382-S384 VanDerWaalsContact C-N 3.32Å
385P93.6Very high87.7Confident110 Ų11093.5 Ų93.571%0.71450%0.501SS*.PPolyproline II helixtrans-60.3159.6-179.526.2-35.3000111.5H380H380-P385 PolarHBondContact CE1-O 3.12Å; H380-P385 PolarHBondContact NE2-O 3.09Å
386S92.9Very high87.3Confident107 Ų10796.6 Ų96.675%0.74852%0.52SS*.PPolyproline II helixtrans-54.5141.8178.7480000111.7S388S386-S388 PolarHBondContact O-N 3.23Å
387I91.8Very high86.7Confident59 Ų5999.4 Ų99.430%0.30354%0.537SS..PPolyproline II helixtrans-64.8121.3-179.5-58.3168.4000108.9H380 Y389H380-I387 HydrophobicContact CB-CD1 4.21Å; H380-I387 WeakPolarHBondContact CD2-CG1 3.34Å; I387-Y389 HydrophobicContact CG2-CE1 4.03Å; I387-Y389 HydrophobicContact CG2-CE2 3.91Å
388S91.2Very high86.2Confident110 Ų11095.6 Ų95.677%0.76952%0.523SS*.  trans-111128.6170.957.60000109.8S386S386-S388 PolarHBondContact O-N 3.23Å
389Y88.9Confident85.6Confident123 Ų12398.8 Ų98.848%0.48254%0.537SS..  trans-95.4114.3172-56.6-82.5000108.1T113 G114 I387T113-Y389 PolarHBondContact O-OH 2.92Å; T113-Y389 VanDerWaalsContact O-OH 3.12Å; G114-Y389 VanDerWaalsContact CA-OH 3.28Å; G114-Y389 WeakPolarHBondContact CA-OH 3.3Å; G114-Y389 PolarHBondContact N-OH 2.94Å; I387-Y389 HydrophobicContact CG2-CE1 4.03Å; I387-Y389 HydrophobicContact CG2-CE2 3.91Å
390S87.1Confident84.9Confident64 Ų64105.3 Ų105.345%0.44857%0.572SS.*  trans-74.1144.3168.652.20000109.2E392 S393S390-E392 PolarHBondContact O-N 2.72Å; S390-E392 VanDerWaalsContact O-N 3.11Å; S390-S393 PolarHBondContact O-N 3.22Å; S390-S393 PolarHBondContact O-OG 3.11Å
391E81.8Confident84.2Confident183 Ų183110.2 Ų110.286%0.85560%0.601SS**G310 helixtrans-56.4-27.4176.9-65.9-175.9170.800112.1S393E391-S393 PolarHBondContact O-N 2.95Å
392E76.4Confident83.5Confident191 Ų191117.5 Ų117.589%0.89364%0.639SS**G310 helixtrans-67-13.7176.1-61-179.9171.800114.4S390S390-E392 PolarHBondContact O-N 2.72Å; S390-E392 VanDerWaalsContact O-N 3.11Å
393S63.9Low83.2Confident78 Ų78119.7 Ų119.755%0.54564%0.639SS.*G310 helixtrans-105.2-1.7-175.967.60000114.9S390 E391S390-S393 PolarHBondContact O-N 3.22Å; S390-S393 PolarHBondContact O-OG 3.11Å; E391-S393 PolarHBondContact O-N 2.95Å
394M50.9Low82.7Confident207 Ų207114.8 Ų114.8100%1.0264%0.636SS**  trans-940170.9-68.7-166.1-168.800110.7

Retrieved 394 of 394 residues in 122 ms (Link to these results)