A0A077ZKP5_TRITR Loading...

Protein FRA10AC1

AlphaFold DB , UniProt , Accession A0A077ZKP5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 223 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.4Very low42.5Very low230 Ų230157.2 Ų157.2100%1.13381%0.813SS**  0128.20-76.4-173.5-169.500107.5
2H42Very low43.3Very low180 Ų180154.1 Ų154.183%0.83380%0.799SS**  trans92.560.2170.5-50.7-13.8000116.7
3D40.2Very low44.6Very low149 Ų149147.4 Ų147.480%0.79777%0.773SS**  -69.6134124.2-63.3-58.7000107.5
4D45.9Very low46.2Very low158 Ų158148.6 Ų148.685%0.84577%0.773SS**  trans150.640.4162.4-76.1-17.7000114.2
5L43Very low47.6Very low178 Ų178143.8 Ų143.893%0.93276%0.757SS**  trans-129.329.2167.8-75176.3000113.4S7L5-S7 VanDerWaalsContact C-N 3.33Å; L5-S7 PolarHBondContact O-N 3.12Å
6S40.4Very low48.7Very low117 Ų117139.3 Ų139.382%0.81873%0.73SS**  trans-87.282.8157.8-172.30000107.5E8S6-E8 VanDerWaalsContact C-N 3.31Å; S6-E8 PolarHBondContact O-N 3.15Å
7S42.4Very low50Low89 Ų89139.9 Ų139.962%0.62272%0.721SS**  trans-63100.7165.268.30000107.4L5 L9L5-S7 VanDerWaalsContact C-N 3.33Å; L5-S7 PolarHBondContact O-N 3.12Å; S7-L9 PolarHBondContact O-N 3.33Å
8E41.5Very low51.2Low171 Ų171141.6 Ų141.680%0.79972%0.722SS**  trans-64.783.6166.7-164.2171.4173.200106.8S6 D10S6-E8 VanDerWaalsContact C-N 3.31Å; S6-E8 PolarHBondContact O-N 3.15Å; E8-D10 PolarHBondContact O-N 3.16Å; E8-D10 VanDerWaalsContact O-N 3.15Å
9L42Very low52.1Low125 Ų125142.1 Ų142.165%0.65471%0.714SS**  trans-72.8104.5173.3-72171000106.6S7 Y11S7-L9 PolarHBondContact O-N 3.33Å; L9-Y11 WeakPolarHBondContact O-CD2 3.39Å; L9-Y11 PolarHBondContact O-N 2.91Å
10D43.2Very low52.9Low145 Ų145141.8 Ų141.878%0.77571%0.708SS**  trans-53.395.5172.2-82.5-41.6000110.8E8 N12E8-D10 PolarHBondContact O-N 3.16Å; E8-D10 VanDerWaalsContact O-N 3.15Å; D10-N12 PolarHBondContact O-N 3.38Å
11Y49.3Very low53.5Low187 Ų187143.9 Ų143.973%0.73371%0.708SS**THydrogen-bonded Turntrans-72.615.5-175.2-110-85.9000114.3L9L9-Y11 WeakPolarHBondContact O-CD2 3.39Å; L9-Y11 PolarHBondContact O-N 2.91Å
12N52Low54.9Low120 Ų120142 Ų14264%0.64269%0.688SS**THydrogen-bonded Turntrans-122.825.9-166.8-114.9-2.8000115D10D10-N12 PolarHBondContact O-N 3.38Å
13S61.1Low55.6Low67 Ų67139.1 Ų139.147%0.46968%0.678SS.*  trans-61.9142.1165.9175.50000111.4S15 E16S13-S15 PolarHBondContact O-N 3.33Å; S13-S15 PolarHBondContact OG-OG 2.81Å; S13-S15 VanDerWaalsContact OG-OG 3.05Å; S13-E16 PolarHBondContact O-N 3.29Å
14E66.8Low56.6Low165 Ų165138 Ų13877%0.77167%0.668SS**Hα-helixtrans-56.2-26.4-178.6-145.2173.6-169.900113R17 K18E14-R17 PolarHBondContact O-N 3.17Å; E14-K18 PolarHBondContact O-N 3.47Å
15S66.4Low57.3Low76 Ų76135 Ų13553%0.53166%0.659SS.*Hα-helixtrans-63.9-39.4174.158.40000112.8S13 K18 R19S13-S15 PolarHBondContact O-N 3.33Å; S13-S15 PolarHBondContact OG-OG 2.81Å; S13-S15 VanDerWaalsContact OG-OG 3.05Å; S15-K18 PolarHBondContact O-N 2.8Å; S15-R19 PolarHBondContact O-N 3.28Å
16E65Low57.8Low71 Ų71134.2 Ų134.233%0.33265%0.649SS.*Hα-helixtrans-70-37.3177.7-84.4-60123.400111.7S13 K18 R19 K20S13-E16 PolarHBondContact O-N 3.29Å; E16-K18 VanDerWaalsContact C-N 3.27Å; E16-K18 PolarHBondContact O-N 3.39Å; E16-R19 CarbonylContact O-C 3.53Å; E16-R19 WeakPolarHBondContact O-CB 3.44Å; E16-R19 PolarHBondContact O-N 2.88Å; E16-R19 VanDerWaalsContact O-N 3.15Å; E16-R19 WeakPolarHBondContact OE1-CD 3.41Å; E16-R19 IonicContact OE1-NE 3.29Å; E16-R19 PolarHBondContact OE1-NE 3.06Å; E16-R19 IonicContact OE2-NE 3.5Å; E16-K20 WeakPolarHBondContact O-CB 3.2Å; E16-K20 PolarHBondContact O-N 2.88Å
17R70.6Confident58.5Low151 Ų151137.6 Ų137.657%0.5765%0.651SS**Hα-helixtrans-60.2-40173.6-70-177.7178.4-178.8-0.1111.5E14 R21E14-R17 PolarHBondContact O-N 3.17Å; R17-R21 WeakPolarHBondContact O-CG 3.46Å; R17-R21 PolarHBondContact O-N 3.34Å
18K72.1Confident59Low169 Ų169142.2 Ų142.274%0.73566%0.66SS**Hα-helixtrans-68.2-38.5176.1-128.8172.8-174.6171.80111.6E14 S15 E16 R22E14-K18 PolarHBondContact O-N 3.47Å; S15-K18 PolarHBondContact O-N 2.8Å; E16-K18 VanDerWaalsContact C-N 3.27Å; E16-K18 PolarHBondContact O-N 3.39Å; K18-R22 PolarHBondContact O-N 3.22Å; K18-R22 VanDerWaalsContact O-N 3.09Å
19R69Low59.5Low152 Ų152142.8 Ų142.857%0.57466%0.663SS**Hα-helixtrans-64.5-44.4174.3-167.4174.1112.7109.32.6111.9S15 E16 R22 L23S15-R19 PolarHBondContact O-N 3.28Å; E16-R19 CarbonylContact O-C 3.53Å; E16-R19 WeakPolarHBondContact O-CB 3.44Å; E16-R19 PolarHBondContact O-N 2.88Å; E16-R19 VanDerWaalsContact O-N 3.15Å; E16-R19 WeakPolarHBondContact OE1-CD 3.41Å; E16-R19 IonicContact OE1-NE 3.29Å; E16-R19 PolarHBondContact OE1-NE 3.06Å; E16-R19 IonicContact OE2-NE 3.5Å; R19-R22 WeakPolarHBondContact O-CB 3.43Å; R19-R22 PolarHBondContact O-N 3.09Å; R19-L23 PolarHBondContact O-N 3.15Å
20K67.4Low60.1Low135 Ų135143.2 Ų143.259%0.58767%0.671SS**Hα-helixtrans-61.3-47.2176.6-172.1178178-178.50111.8E16 R22 L23 E24E16-K20 WeakPolarHBondContact O-CB 3.2Å; E16-K20 PolarHBondContact O-N 2.88Å; K20-R22 VanDerWaalsContact C-N 3.28Å; K20-R22 PolarHBondContact O-N 3.07Å; K20-L23 WeakPolarHBondContact O-CB 3.44Å; K20-L23 PolarHBondContact O-N 2.99Å; K20-E24 WeakPolarHBondContact CE-OE1 3.4Å; K20-E24 WeakPolarHBondContact O-CG 3.48Å; K20-E24 PolarHBondContact O-N 3.3Å
21R66.3Low60.6Low187 Ų187140.3 Ų140.371%0.70667%0.667SS**Hα-helixtrans-59.1-39.4174.6-73-176.3-173.8-1572.7112.3R17 S25R17-R21 WeakPolarHBondContact O-CG 3.46Å; R17-R21 PolarHBondContact O-N 3.34Å; R21-S25 PolarHBondContact O-N 3.18Å; R21-S25 PolarHBondContact O-OG 3.13Å
22R67Low61.3Low189 Ų189136.6 Ų136.671%0.71367%0.666SS**Hα-helixtrans-66.1-38.6174.8-172.1-178.3-72.8-166.5-3.3111.7K18 R19 K20 S25K18-R22 PolarHBondContact O-N 3.22Å; K18-R22 VanDerWaalsContact O-N 3.09Å; R19-R22 WeakPolarHBondContact O-CB 3.43Å; R19-R22 PolarHBondContact O-N 3.09Å; K20-R22 VanDerWaalsContact C-N 3.28Å; K20-R22 PolarHBondContact O-N 3.07Å; R22-S25 WeakPolarHBondContact O-CB 3.47Å; R22-S25 PolarHBondContact O-N 3.42Å
23L56.4Low61.9Low120 Ų120137 Ų13763%0.62868%0.675SS**Hα-helixtrans-66.9-41.8177.5-13689000111.9R19 K20 S25 F26R19-L23 PolarHBondContact O-N 3.15Å; K20-L23 WeakPolarHBondContact O-CB 3.44Å; K20-L23 PolarHBondContact O-N 2.99Å; L23-S25 PolarHBondContact O-N 3.16Å; L23-F26 PolarHBondContact O-N 3.3Å; L23-F26 VanDerWaalsContact O-N 3.17Å
24E61.9Low62.4Low126 Ų126139.7 Ų139.759%0.58969%0.688SS**Hα-helixtrans-64.1-24.9177.6-73.5171.9177.400112.5K20 F26K20-E24 WeakPolarHBondContact CE-OE1 3.4Å; K20-E24 WeakPolarHBondContact O-CG 3.48Å; K20-E24 PolarHBondContact O-N 3.3Å; E24-F26 VanDerWaalsContact C-N 3.29Å; E24-F26 PolarHBondContact O-N 3.32Å
25S59.3Low62.8Low94 Ų94137.4 Ų137.466%0.65769%0.688SS**THydrogen-bonded Turntrans-72.6-22.3177.5-51.40000112.9R21 R22 L23 Q27R21-S25 PolarHBondContact O-N 3.18Å; R21-S25 PolarHBondContact O-OG 3.13Å; R22-S25 WeakPolarHBondContact O-CB 3.47Å; R22-S25 PolarHBondContact O-N 3.42Å; L23-S25 PolarHBondContact O-N 3.16Å; S25-Q27 PolarHBondContact O-N 3.29Å
26F53.8Low63.2Low163 Ų163143.4 Ų143.472%0.71570%0.704SS**SBendtrans-88.594171-78-86.9000108.3L23 E24 K28L23-F26 PolarHBondContact O-N 3.3Å; L23-F26 VanDerWaalsContact O-N 3.17Å; E24-F26 VanDerWaalsContact C-N 3.29Å; E24-F26 PolarHBondContact O-N 3.32Å; F26-K28 VanDerWaalsContact C-N 3.26Å; F26-K28 PolarHBondContact O-N 2.79Å
27Q54.1Low63.7Low187 Ų187143.5 Ų143.587%0.87472%0.717SS**  trans-59.293.9166.5-65.7-176.313.100108.1S25 E29S25-Q27 PolarHBondContact O-N 3.29Å; Q27-E29 PolarHBondContact O-N 2.97Å; Q27-E29 VanDerWaalsContact O-N 3.16Å
28K54.9Low64.5Low186 Ų186140.3 Ų140.381%0.80971%0.714SS**  trans-68.3111.7-179.3-175.1174-177.4177.90108F26 T30F26-K28 VanDerWaalsContact C-N 3.26Å; F26-K28 PolarHBondContact O-N 2.79Å; K28-T30 PolarHBondContact O-N 3.15Å; K28-T30 VanDerWaalsContact O-N 3.12Å
29E49.9Very low65.3Low184 Ų184139.4 Ų139.486%0.8671%0.711SS**  trans-50.6120165.8-65.6-172.6161.200108.4Q27 A31Q27-E29 PolarHBondContact O-N 2.97Å; Q27-E29 VanDerWaalsContact O-N 3.16Å; E29-A31 PolarHBondContact O-N 3.35Å; E29-A31 VanDerWaalsContact O-N 3.15Å
30T55.3Low66.2Low134 Ų134139.1 Ų139.182%0.82272%0.716SS**  trans-78.3104.7-172.245.10000108.5K28K28-T30 PolarHBondContact O-N 3.15Å; K28-T30 VanDerWaalsContact O-N 3.12Å
31A54Low67.2Low83 Ų83138 Ų13869%0.68671%0.711SS**  trans-55148.3165.700000109.8E29E29-A31 PolarHBondContact O-N 3.35Å; E29-A31 VanDerWaalsContact O-N 3.15Å
32P64.2Low68.3Low109 Ų109135 Ų13571%0.70870%0.703SS**  trans-54.8145.8-176.621.5-32.9000111.5V34P32-V34 PolarHBondContact O-N 3.26Å
33P64.4Low69.3Low128 Ų128132.6 Ų132.683%0.83170%0.695SS**  trans-62.6105.3-175.423.6-31.7000110.1
34V71.2Confident71Confident125 Ų125131.7 Ų131.776%0.75869%0.688SS**PPolyproline II helixtrans-68.1131.1170.7-1700000107.4P32 K36P32-V34 PolarHBondContact O-N 3.26Å; V34-K36 PolarHBondContact O-N 3.45Å
35P75.8Confident72.3Confident117 Ų117129.7 Ų129.776%0.7668%0.679SS**PPolyproline II helixtrans-56.5135.7177.220.3-30.2000110.2A37P35-A37 PolarHBondContact O-N 3.33Å
36K74Confident73.7Confident202 Ų202128.1 Ų128.188%0.87867%0.667SS**PPolyproline II helixtrans-58.6130.7174.9-68.5176-179.8176.30108.3V34V34-K36 PolarHBondContact O-N 3.45Å
37A76.7Confident75.4Confident73 Ų73123 Ų12360%0.60366%0.655SS**PPolyproline II helixtrans-58.3143.2178.200000111.1P35 F41P35-A37 PolarHBondContact O-N 3.33Å; A37-F41 HydrophobicContact CB-CD1 3.88Å
38T85.7Confident77.1Confident83 Ų83118.1 Ų118.151%0.50963%0.631SS.*PPolyproline II helixtrans-69154.6176.553.30000111E40 F41 F42T38-E40 PolarHBondContact O-N 2.9Å; T38-F41 WeakPolarHBondContact O-CB 3.19Å; T38-F41 PolarHBondContact O-N 3.38Å; T38-F41 VanDerWaalsContact O-N 3.15Å; T38-F42 PolarHBondContact O-N 3.32Å
39K89.1Confident78.5Confident151 Ų151112.5 Ų112.566%0.65761%0.607SS**Hα-helixtrans-58.2-36.6178.9-179.2175.5177-179.70111.7F42 Y43K39-F42 PolarHBondContact O-N 3.34Å; K39-Y43 HydrophobicContact CD-CE2 4.16Å; K39-Y43 HydrophobicContact CG-CD2 4.06Å; K39-Y43 HydrophobicContact CG-CE2 3.56Å; K39-Y43 WeakPolarHBondContact O-CD2 3.36Å; K39-Y43 PolarHBondContact O-N 2.67Å
40E88.7Confident80.2Confident146 Ų146108.1 Ų108.168%0.68259%0.59SS**Hα-helixtrans-65.2-43.3176.2-5998.6-171.400112.2T38 F42 Y43 E44T38-E40 PolarHBondContact O-N 2.9Å; E40-F42 PolarHBondContact O-N 3.33Å; E40-Y43 PolarHBondContact O-N 3.41Å; E40-Y43 VanDerWaalsContact O-N 3.16Å; E40-E44 PolarHBondContact O-N 3.46Å
41F88.3Confident81.6Confident110 Ų110105.4 Ų105.448%0.48257%0.573SS.*Hα-helixtrans-59.4-38.2178.6-173.6-93.5000111.6A37 T38 E45A37-F41 HydrophobicContact CB-CD1 3.88Å; T38-F41 WeakPolarHBondContact O-CB 3.19Å; T38-F41 PolarHBondContact O-N 3.38Å; T38-F41 VanDerWaalsContact O-N 3.15Å; F41-E45 PolarHBondContact O-N 2.98Å; F41-E45 VanDerWaalsContact O-N 3.13Å
42F89.3Confident83Confident125 Ų125106.6 Ų106.655%0.54856%0.563SS.*Hα-helixtrans-61-48174.8175.4-98.9000112.6T38 K39 E40 E45 C46T38-F42 PolarHBondContact O-N 3.32Å; K39-F42 PolarHBondContact O-N 3.34Å; E40-F42 PolarHBondContact O-N 3.33Å; F42-E45 PolarHBondContact O-N 2.95Å; F42-C46 PolarHBondContact O-N 3.15Å
43Y89.1Confident83.9Confident138 Ų138108.8 Ų108.854%0.54156%0.557SS.*Hα-helixtrans-67.7-37.1179.4-73-68.1000113K39 E40 E45 C46 A47K39-Y43 HydrophobicContact CD-CE2 4.16Å; K39-Y43 HydrophobicContact CG-CD2 4.06Å; K39-Y43 HydrophobicContact CG-CE2 3.56Å; K39-Y43 WeakPolarHBondContact O-CD2 3.36Å; K39-Y43 PolarHBondContact O-N 2.67Å; E40-Y43 PolarHBondContact O-N 3.41Å; E40-Y43 VanDerWaalsContact O-N 3.16Å; Y43-E45 VanDerWaalsContact C-N 3.3Å; Y43-E45 PolarHBondContact O-N 3.05Å; Y43-C46 PolarHBondContact O-N 3.28Å; Y43-A47 WeakPolarHBondContact O-CB 3.43Å; Y43-A47 PolarHBondContact O-N 3.01Å
44E90.8Very high84.8Confident101 Ų101106.9 Ų106.947%0.47254%0.537SS..Hα-helixtrans-59.7-43.7175.7-171.4-174.8160.600111E40 A47 K48E40-E44 PolarHBondContact O-N 3.46Å; E44-A47 PolarHBondContact O-N 2.91Å; E44-K48 HydrophobicContact CG-CD 4.48Å; E44-K48 WeakPolarHBondContact O-CG 3.33Å; E44-K48 PolarHBondContact O-N 2.93Å; E44-K48 WeakPolarHBondContact OE1-CE 3.39Å; E44-K48 IonicContact OE1-NZ 2.67Å; E44-K48 PolarHBondContact OE1-NZ 3.41Å
45E89.2Confident85.5Confident85 Ų85105.8 Ų105.840%0.39753%0.527SS..Hα-helixtrans-69.4-39.6178.3-159.562.7-164.900112F41 F42 Y43 A47 K48 E49F41-E45 PolarHBondContact O-N 2.98Å; F41-E45 VanDerWaalsContact O-N 3.13Å; F42-E45 PolarHBondContact O-N 2.95Å; Y43-E45 VanDerWaalsContact C-N 3.3Å; Y43-E45 PolarHBondContact O-N 3.05Å; E45-A47 VanDerWaalsContact C-N 3.31Å; E45-A47 PolarHBondContact O-N 3.07Å; E45-K48 PolarHBondContact O-N 2.83Å; E45-E49 WeakPolarHBondContact O-CB 3.14Å; E45-E49 PolarHBondContact O-N 3.31Å
46C88.6Confident86Confident60 Ų60101.2 Ų101.241%0.40550%0.497SS..Hα-helixtrans-59.1-40.6171.5-77.80000112.4F42 Y43 E49 N50F42-C46 PolarHBondContact O-N 3.15Å; Y43-C46 PolarHBondContact O-N 3.28Å; C46-E49 PolarHBondContact O-N 3.02Å; C46-N50 PolarHBondContact O-N 2.95Å
47A89.4Confident86.5Confident57 Ų5796.4 Ų96.447%0.47148%0.48SS..Hα-helixtrans-67.3-43.7177.400000111.8Y43 E44 E45 E49 N50 T51Y43-A47 WeakPolarHBondContact O-CB 3.43Å; Y43-A47 PolarHBondContact O-N 3.01Å; E44-A47 PolarHBondContact O-N 2.91Å; E45-A47 VanDerWaalsContact C-N 3.31Å; E45-A47 PolarHBondContact O-N 3.07Å; A47-E49 VanDerWaalsContact C-N 3.3Å; A47-E49 PolarHBondContact O-N 3.03Å; A47-N50 PolarHBondContact O-N 3.45Å; A47-T51 WeakPolarHBondContact O-CG2 3.31Å; A47-T51 PolarHBondContact O-N 2.97Å; A47-T51 PolarHBondContact O-OG1 3.01Å
48K90Very high87Confident83 Ų83100.2 Ų100.236%0.36149%0.485SS..Hα-helixtrans-60.3-39.2173.5-72.8171.5-175.4165.60111.9E44 E45 T51 K52E44-K48 HydrophobicContact CG-CD 4.48Å; E44-K48 WeakPolarHBondContact O-CG 3.33Å; E44-K48 PolarHBondContact O-N 2.93Å; E44-K48 WeakPolarHBondContact OE1-CE 3.39Å; E44-K48 IonicContact OE1-NZ 2.67Å; E44-K48 PolarHBondContact OE1-NZ 3.41Å; E45-K48 PolarHBondContact O-N 2.83Å; K48-T51 PolarHBondContact O-OG1 3.21Å; K48-K52 VanDerWaalsContact O-CG 3.3Å; K48-K52 WeakPolarHBondContact O-CG 3.05Å; K48-K52 PolarHBondContact O-N 3.43Å; K48-K52 VanDerWaalsContact O-N 3.15Å
49E85.7Confident87.3Confident69 Ų6999.7 Ų99.732%0.32248%0.479SS..Hα-helixtrans-68.9-41176.7-179.357.1-162.300112.1E45 C46 A47 T51 K52 R53E45-E49 WeakPolarHBondContact O-CB 3.14Å; E45-E49 PolarHBondContact O-N 3.31Å; C46-E49 PolarHBondContact O-N 3.02Å; A47-E49 VanDerWaalsContact C-N 3.3Å; A47-E49 PolarHBondContact O-N 3.03Å; E49-T51 PolarHBondContact O-N 3.04Å; E49-K52 PolarHBondContact O-N 3.15Å; E49-R53 WeakPolarHBondContact O-CG 3.16Å; E49-R53 PolarHBondContact O-N 2.83Å; E49-R53 IonicContact OE1-CZ 2.82Å; E49-R53 IonicContact OE1-NE 3.89Å; E49-R53 PolarHBondContact OE1-NE 3.44Å; E49-R53 IonicContact OE1-NH2 3.51Å
50N84.6Confident87.4Confident92 Ų9297.3 Ų97.349%0.49247%0.473SS..Hα-helixtrans-62.6-43.4176.7-17045000111.8C46 A47 K52 R53 Q54C46-N50 PolarHBondContact O-N 2.95Å; A47-N50 PolarHBondContact O-N 3.45Å; N50-K52 PolarHBondContact O-N 3.23Å; N50-R53 WeakPolarHBondContact O-CB 3.45Å; N50-R53 PolarHBondContact O-N 3.23Å; N50-R53 VanDerWaalsContact O-N 3.16Å; N50-Q54 WeakPolarHBondContact O-CG 3.3Å; N50-Q54 PolarHBondContact O-N 3.06Å
51T85.1Confident87.6Confident76 Ų7695.3 Ų95.347%0.46647%0.471SS..Hα-helixtrans-62.6-41.4176.554.90000112.2A47 K48 E49 R53 Q54 N55A47-T51 WeakPolarHBondContact O-CG2 3.31Å; A47-T51 PolarHBondContact O-N 2.97Å; A47-T51 PolarHBondContact O-OG1 3.01Å; K48-T51 PolarHBondContact O-OG1 3.21Å; E49-T51 PolarHBondContact O-N 3.04Å; T51-R53 VanDerWaalsContact C-N 3.31Å; T51-R53 PolarHBondContact O-N 3.36Å; T51-Q54 PolarHBondContact O-N 3.28Å; T51-N55 PolarHBondContact O-N 3.46Å; T51-N55 PolarHBondContact O-ND2 2.98Å; T51-N55 PolarHBondContact O-OD1 3.14Å
52K83.8Confident87.8Confident108 Ų10897.3 Ų97.347%0.4748%0.476SS..Hα-helixtrans-57.5-42.7172.5-71.1170-169.31690111.8K48 E49 N50 N55 V56K48-K52 VanDerWaalsContact O-CG 3.3Å; K48-K52 WeakPolarHBondContact O-CG 3.05Å; K48-K52 PolarHBondContact O-N 3.43Å; K48-K52 VanDerWaalsContact O-N 3.15Å; E49-K52 PolarHBondContact O-N 3.15Å; N50-K52 PolarHBondContact O-N 3.23Å; K52-N55 PolarHBondContact O-N 3.47Å; K52-V56 WeakPolarHBondContact O-CG2 3.37Å; K52-V56 PolarHBondContact O-N 2.82Å
53R82.8Confident88Confident156 Ų15694 Ų9459%0.58947%0.468SS*.Hα-helixtrans-66.3-43.8178.1-70.4176.2-176.7-168.1-1.8112.5E49 N50 T51 N55 V56E49-R53 WeakPolarHBondContact O-CG 3.16Å; E49-R53 PolarHBondContact O-N 2.83Å; E49-R53 IonicContact OE1-CZ 2.82Å; E49-R53 IonicContact OE1-NE 3.89Å; E49-R53 PolarHBondContact OE1-NE 3.44Å; E49-R53 IonicContact OE1-NH2 3.51Å; N50-R53 WeakPolarHBondContact O-CB 3.45Å; N50-R53 PolarHBondContact O-N 3.23Å; N50-R53 VanDerWaalsContact O-N 3.16Å; T51-R53 VanDerWaalsContact C-N 3.31Å; T51-R53 PolarHBondContact O-N 3.36Å; R53-N55 VanDerWaalsContact C-N 3.29Å; R53-N55 PolarHBondContact O-N 3.45Å; R53-V56 WeakPolarHBondContact O-CB 3.36Å; R53-V56 PolarHBondContact O-N 3.39Å; R53-V56 VanDerWaalsContact O-N 3.16Å
54Q83.4Confident88.3Confident88 Ų8892.1 Ų92.141%0.41146%0.46SS..Hα-helixtrans-60.9-39.7175.7-67-61.5-37.700111.6N50 T51 V56 L57 H58N50-Q54 WeakPolarHBondContact O-CG 3.3Å; N50-Q54 PolarHBondContact O-N 3.06Å; T51-Q54 PolarHBondContact O-N 3.28Å; Q54-V56 PolarHBondContact O-N 3.31Å; Q54-L57 WeakPolarHBondContact O-CB 3.45Å; Q54-L57 PolarHBondContact O-N 3.28Å; Q54-H58 PolarHBondContact O-N 3.32Å
55N85.8Confident88.3Confident101 Ų10192.7 Ų92.754%0.5446%0.463SS..Hα-helixtrans-60.9-30.8176.8-68.4-19.2000113.2T51 K52 R53 L57T51-N55 PolarHBondContact O-N 3.46Å; T51-N55 PolarHBondContact O-ND2 2.98Å; T51-N55 PolarHBondContact O-OD1 3.14Å; K52-N55 PolarHBondContact O-N 3.47Å; R53-N55 VanDerWaalsContact C-N 3.29Å; R53-N55 PolarHBondContact O-N 3.45Å; N55-L57 VanDerWaalsContact C-N 3.31Å
56V84.9Confident88.5Confident22 Ų2293.9 Ų93.913%0.13347%0.466CS..Hα-helixtrans-70.8-28.8177.2176.20000111.7K52 R53 Q54 R64 R67 L68K52-V56 WeakPolarHBondContact O-CG2 3.37Å; K52-V56 PolarHBondContact O-N 2.82Å; R53-V56 WeakPolarHBondContact O-CB 3.36Å; R53-V56 PolarHBondContact O-N 3.39Å; R53-V56 VanDerWaalsContact O-N 3.16Å; Q54-V56 PolarHBondContact O-N 3.31Å; V56-R64 HydrophobicContact CG1-CG 3.78Å; V56-R64 WeakPolarHBondContact O-CD 3.48Å; V56-R64 WeakPolarHBondContact O-CG 3.5Å; V56-R67 HydrophobicContact CG2-CG 4.42Å; V56-L68 HydrophobicContact CG1-CD2 4.2Å; V56-L68 HydrophobicContact CG1-CG 4.37Å
57L85.6Confident88.6Confident101 Ų10196.5 Ų96.553%0.52947%0.468SS..Hα-helixtrans-74.3-28.5179.8-63176.9000113Q54 N55 L59Q54-L57 WeakPolarHBondContact O-CB 3.45Å; Q54-L57 PolarHBondContact O-N 3.28Å; N55-L57 VanDerWaalsContact C-N 3.31Å; L57-L59 PolarHBondContact O-N 3.33Å
58H87.1Confident88.7Confident153 Ų15398 Ų9871%0.70847%0.467SS*.THydrogen-bonded Turntrans-75.3-6.9177.5-63141.4000114.1Q54Q54-H58 PolarHBondContact O-N 3.32Å
59L91Very high88.6Confident72 Ų7296.4 Ų96.438%0.37746%0.463SS..SBendtrans-81.6148.2179.7-62.6174.6000111.4L57 R64 R67L57-L59 PolarHBondContact O-N 3.33Å; L59-R64 HydrophobicContact CB-CB 4.09Å; L59-R67 HydrophobicContact CD1-CB 4.28Å; L59-R67 HydrophobicContact CD1-CG 4.42Å
60D91.5Very high88.7Confident101 Ų10197 Ų9754%0.5447%0.468SS..  trans-52.3154167.4169.755.7000111.7Y62 S63 R64D60-Y62 VanDerWaalsContact C-N 3.28Å; D60-Y62 PolarHBondContact O-N 3.47Å; D60-Y62 WeakPolarHBondContact OD2-CB 3.35Å; D60-Y62 PolarHBondContact OD2-N 3.04Å; D60-Y62 VanDerWaalsContact OD2-N 3.07Å; D60-S63 CarbonylContact O-C 3.6Å; D60-S63 PolarHBondContact O-N 2.94Å; D60-R64 VanDerWaalsContact O-CB 3.25Å; D60-R64 WeakPolarHBondContact O-CB 3.4Å; D60-R64 PolarHBondContact O-N 3.16Å
61V93.2Very high88.9Confident104 Ų10496.4 Ų96.463%0.6346%0.462SS*.Hα-helixtrans-51.3-46.5-177.7-178.70000111.6H65V61-H65 WeakPolarHBondContact O-CB 3.42Å; V61-H65 PolarHBondContact O-N 2.98Å
62Y93.5Very high88.9Confident152 Ų15296.1 Ų96.160%0.59645%0.453SS*.Hα-helixtrans-68.6-45.3179.1174.5-99.2000111.5D60 R64 H65 K66D60-Y62 VanDerWaalsContact C-N 3.28Å; D60-Y62 PolarHBondContact O-N 3.47Å; D60-Y62 WeakPolarHBondContact OD2-CB 3.35Å; D60-Y62 PolarHBondContact OD2-N 3.04Å; D60-Y62 VanDerWaalsContact OD2-N 3.07Å; Y62-R64 VanDerWaalsContact C-N 3.35Å; Y62-R64 PolarHBondContact O-N 3.39Å; Y62-H65 PolarHBondContact O-N 3.45Å; Y62-K66 HydrophobicContact CE1-CD 4.27Å; Y62-K66 WeakPolarHBondContact O-CB 3.26Å; Y62-K66 PolarHBondContact O-N 3.38Å
63S93.5Very high89Confident54 Ų5495.2 Ų95.238%0.37845%0.449SS..Hα-helixtrans-63-41.1179.9-65.60000112.2D60 K66 R67D60-S63 CarbonylContact O-C 3.6Å; D60-S63 PolarHBondContact O-N 2.94Å; S63-K66 PolarHBondContact O-N 3.31Å; S63-R67 WeakPolarHBondContact O-CB 3.44Å; S63-R67 PolarHBondContact O-N 3.15Å
64R94Very high89.2Confident99 Ų9994.8 Ų94.837%0.37446%0.458SS..Hα-helixtrans-62.3-50.5175-172.517674.9179.93.6111.1V56 L59 D60 Y62 K66 R67 L68V56-R64 HydrophobicContact CG1-CG 3.78Å; V56-R64 WeakPolarHBondContact O-CD 3.48Å; V56-R64 WeakPolarHBondContact O-CG 3.5Å; L59-R64 HydrophobicContact CB-CB 4.09Å; D60-R64 VanDerWaalsContact O-CB 3.25Å; D60-R64 WeakPolarHBondContact O-CB 3.4Å; D60-R64 PolarHBondContact O-N 3.16Å; Y62-R64 VanDerWaalsContact C-N 3.35Å; Y62-R64 PolarHBondContact O-N 3.39Å; R64-K66 PolarHBondContact O-N 3.36Å; R64-R67 PolarHBondContact O-N 2.93Å; R64-L68 HydrophobicContact CG-CD1 4.17Å; R64-L68 WeakPolarHBondContact O-CG 3.4Å; R64-L68 PolarHBondContact O-N 2.91Å
65H92.6Very high89.3Confident114 Ų11494.7 Ų94.753%0.52846%0.463SS..Hα-helixtrans-57.2-50.1176.6175.1-83.7000111.2V61 Y62 R67 L68 I69V61-H65 WeakPolarHBondContact O-CB 3.42Å; V61-H65 PolarHBondContact O-N 2.98Å; Y62-H65 PolarHBondContact O-N 3.45Å; H65-R67 VanDerWaalsContact C-N 3.31Å; H65-R67 PolarHBondContact O-N 3.31Å; H65-L68 PolarHBondContact O-N 3.15Å; H65-L68 VanDerWaalsContact O-N 3.17Å; H65-I69 VanDerWaalsContact CE1-CG1 3.41Å; H65-I69 WeakPolarHBondContact CE1-CG1 3.46Å; H65-I69 WeakPolarHBondContact O-CG1 3.47Å; H65-I69 PolarHBondContact O-N 3.41Å
66K92.2Very high89.2Confident109 Ų10993.3 Ų93.347%0.47446%0.456SS..Hα-helixtrans-57.4-43.4178.8-172.1176-176.9177.20112Y62 S63 R64 N70Y62-K66 HydrophobicContact CE1-CD 4.27Å; Y62-K66 WeakPolarHBondContact O-CB 3.26Å; Y62-K66 PolarHBondContact O-N 3.38Å; S63-K66 PolarHBondContact O-N 3.31Å; R64-K66 PolarHBondContact O-N 3.36Å; K66-N70 WeakPolarHBondContact O-CB 3.49Å; K66-N70 PolarHBondContact O-N 2.99Å; K66-N70 PolarHBondContact O-ND2 3.3Å; K66-N70 PolarHBondContact O-OD1 3.48Å
67R91.2Very high88.9Confident115 Ų11597.8 Ų97.843%0.43449%0.485SS..Hα-helixtrans-62.2-44.6176.8-177.967.3176.680.22112.2V56 L59 S63 R64 H65 Q71V56-R67 HydrophobicContact CG2-CG 4.42Å; L59-R67 HydrophobicContact CD1-CB 4.28Å; L59-R67 HydrophobicContact CD1-CG 4.42Å; S63-R67 WeakPolarHBondContact O-CB 3.44Å; S63-R67 PolarHBondContact O-N 3.15Å; R64-R67 PolarHBondContact O-N 2.93Å; H65-R67 VanDerWaalsContact C-N 3.31Å; H65-R67 PolarHBondContact O-N 3.31Å; R67-Q71 VanDerWaalsContact NH1-OE1 3.13Å; R67-Q71 WeakPolarHBondContact O-CB 3.44Å; R67-Q71 PolarHBondContact O-N 3.4Å
68L90.6Very high88.5Confident88 Ų8896 Ų9646%0.46149%0.492SS..Hα-helixtrans-66.3-44.9180-71.6172.2000111.8V56 R64 H65 Q71 Y72V56-L68 HydrophobicContact CG1-CD2 4.2Å; V56-L68 HydrophobicContact CG1-CG 4.37Å; R64-L68 HydrophobicContact CG-CD1 4.17Å; R64-L68 WeakPolarHBondContact O-CG 3.4Å; R64-L68 PolarHBondContact O-N 2.91Å; H65-L68 PolarHBondContact O-N 3.15Å; H65-L68 VanDerWaalsContact O-N 3.17Å; L68-Q71 PolarHBondContact O-N 3.46Å; L68-Y72 PolarHBondContact O-N 3.42Å
69I88.1Confident88Confident51 Ų5189.5 Ų89.526%0.26246%0.464SS..Hα-helixtrans-61.6-47.5176.2-67.3-61.1000110.9H65 Q71 Y72 F73 L83H65-I69 VanDerWaalsContact CE1-CG1 3.41Å; H65-I69 WeakPolarHBondContact CE1-CG1 3.46Å; H65-I69 WeakPolarHBondContact O-CG1 3.47Å; H65-I69 PolarHBondContact O-N 3.41Å; I69-Q71 VanDerWaalsContact C-N 3.3Å; I69-Q71 PolarHBondContact O-N 3.02Å; I69-Y72 WeakPolarHBondContact O-CB 3.43Å; I69-Y72 PolarHBondContact O-N 3.49Å; I69-Y72 VanDerWaalsContact O-N 3.15Å; I69-F73 HydrophobicContact CG2-CD2 3.63Å; I69-F73 HydrophobicContact CG2-CE2 3.46Å; I69-F73 VanDerWaalsContact CG2-CE2 3.46Å; I69-F73 VanDerWaalsContact O-CD2 3.26Å; I69-F73 WeakPolarHBondContact O-CD2 3.41Å; I69-F73 PolarHBondContact O-N 2.99Å; I69-L83 HydrophobicContact CD1-CD1 4.38Å
70N88.9Confident87.2Confident81 Ų8188.4 Ų88.443%0.43346%0.462SS..Hα-helixtrans-60.2-42.2177.4-71.7-6.8000111.8K66 Y72 F73 L74K66-N70 WeakPolarHBondContact O-CB 3.49Å; K66-N70 PolarHBondContact O-N 2.99Å; K66-N70 PolarHBondContact O-ND2 3.3Å; K66-N70 PolarHBondContact O-OD1 3.48Å; N70-Y72 VanDerWaalsContact C-N 3.33Å; N70-Y72 PolarHBondContact O-N 3.04Å; N70-F73 PolarHBondContact O-N 2.99Å; N70-L74 VanDerWaalsContact O-CG 3.31Å; N70-L74 WeakPolarHBondContact O-CG 3.33Å; N70-L74 PolarHBondContact O-N 3.17Å
71Q88Confident86.5Confident79 Ų7987.9 Ų87.937%0.36946%0.462SS..Hα-helixtrans-60.5-44.6175.8-179164.5-29.500111.3R67 L68 I69 F73 L74 T75R67-Q71 VanDerWaalsContact NH1-OE1 3.13Å; R67-Q71 WeakPolarHBondContact O-CB 3.44Å; R67-Q71 PolarHBondContact O-N 3.4Å; L68-Q71 PolarHBondContact O-N 3.46Å; I69-Q71 VanDerWaalsContact C-N 3.3Å; I69-Q71 PolarHBondContact O-N 3.02Å; Q71-F73 PolarHBondContact O-N 3.14Å; Q71-L74 PolarHBondContact O-N 3.29Å; Q71-T75 HydrophobicContact CG-CG2 4.26Å; Q71-T75 WeakPolarHBondContact O-CG2 3.49Å; Q71-T75 PolarHBondContact O-N 3.33Å; Q71-T75 PolarHBondContact O-OG1 3.42Å; Q71-T75 VanDerWaalsContact O-OG1 3.14Å
72Y86.3Confident85.8Confident70 Ų7088.9 Ų88.928%0.27546%0.463SS..Hα-helixtrans-59-45.5177.3178.9-91.2000112.4L68 I69 N70 L74 T75 N76 S79 L83L68-Y72 PolarHBondContact O-N 3.42Å; I69-Y72 WeakPolarHBondContact O-CB 3.43Å; I69-Y72 PolarHBondContact O-N 3.49Å; I69-Y72 VanDerWaalsContact O-N 3.15Å; N70-Y72 VanDerWaalsContact C-N 3.33Å; N70-Y72 PolarHBondContact O-N 3.04Å; Y72-L74 VanDerWaalsContact C-N 3.32Å; Y72-L74 PolarHBondContact O-N 2.98Å; Y72-T75 PolarHBondContact O-N 3.47Å; Y72-T75 PolarHBondContact O-OG1 3.23Å; Y72-N76 PolarHBondContact O-N 3.16Å; Y72-N76 PolarHBondContact O-ND2 3.43Å; Y72-S79 WeakPolarHBondContact CE1-OG 3.41Å; Y72-S79 VanDerWaalsContact CZ-OG 3.3Å; Y72-S79 WeakPolarHBondContact OH-CB 3.38Å; Y72-S79 PolarHBondContact OH-OG 2.92Å; Y72-L83 HydrophobicContact CD1-CD1 3.39Å; Y72-L83 HydrophobicContact CD1-CG 4.09Å; Y72-L83 HydrophobicContact CE1-CD1 3.55Å; Y72-L83 HydrophobicContact CE1-CD2 4.25Å; Y72-L83 HydrophobicContact CE1-CG 3.72Å; Y72-L83 HydrophobicContact CG-CD1 4.39Å
73F85.3Confident85Confident90 Ų9085.1 Ų85.140%0.39545%0.453SS..Hα-helixtrans-62.2-37.1176.6-84.3-70.5000113I69 N70 Q71 L83I69-F73 HydrophobicContact CG2-CD2 3.63Å; I69-F73 HydrophobicContact CG2-CE2 3.46Å; I69-F73 VanDerWaalsContact CG2-CE2 3.46Å; I69-F73 VanDerWaalsContact O-CD2 3.26Å; I69-F73 WeakPolarHBondContact O-CD2 3.41Å; I69-F73 PolarHBondContact O-N 2.99Å; N70-F73 PolarHBondContact O-N 2.99Å; Q71-F73 PolarHBondContact O-N 3.14Å; F73-L83 HydrophobicContact CD2-CD1 4.4Å; F73-L83 HydrophobicContact CE1-CD1 4.47Å; F73-L83 HydrophobicContact CE2-CD1 3.82Å; F73-L83 HydrophobicContact CZ-CD1 3.85Å
74L85.8Confident84.4Confident146 Ų14689.2 Ų89.276%0.76447%0.466SS*.Hα-helixtrans-74.2-38.4179.2-69.6171.5000112.6N70 Q71 Y72N70-L74 VanDerWaalsContact O-CG 3.31Å; N70-L74 WeakPolarHBondContact O-CG 3.33Å; N70-L74 PolarHBondContact O-N 3.17Å; Q71-L74 PolarHBondContact O-N 3.29Å; Y72-L74 VanDerWaalsContact C-N 3.32Å; Y72-L74 PolarHBondContact O-N 2.98Å
75T86.6Confident83.9Confident87 Ų8793 Ų9353%0.53448%0.48SS..Hα-helixtrans-79.2-28.3-178.158.50000113.3Q71 Y72 P77Q71-T75 HydrophobicContact CG-CG2 4.26Å; Q71-T75 WeakPolarHBondContact O-CG2 3.49Å; Q71-T75 PolarHBondContact O-N 3.33Å; Q71-T75 PolarHBondContact O-OG1 3.42Å; Q71-T75 VanDerWaalsContact O-OG1 3.14Å; Y72-T75 PolarHBondContact O-N 3.47Å; Y72-T75 PolarHBondContact O-OG1 3.23Å; T75-P77 VanDerWaalsContact C-CD 3.45Å; T75-P77 WeakPolarHBondContact O-CD 3.34Å
76N82.9Confident83.6Confident71 Ų7193 Ų9338%0.3848%0.484SS..SBendtrans-121.472.1-176.3-57.5-71000110.8Y72 G78 S79Y72-N76 PolarHBondContact O-N 3.16Å; Y72-N76 PolarHBondContact O-ND2 3.43Å; N76-G78 PolarHBondContact O-N 3.49Å; N76-S79 WeakPolarHBondContact CB-OG 3.25Å; N76-S79 PolarHBondContact O-N 2.92Å; N76-S79 VanDerWaalsContact O-N 3.15Å; N76-S79 PolarHBondContact O-OG 3.12Å
77P78.7Confident83.4Confident116 Ų11692.4 Ų92.475%0.75349%0.489SS*.THydrogen-bonded Turntrans-59.7126.7174.825.2-32.7000110T75T75-P77 VanDerWaalsContact C-CD 3.45Å; T75-P77 WeakPolarHBondContact O-CD 3.34Å
78G78.1Confident83.3Confident65 Ų6591.3 Ų91.367%0.6750%0.499SS*.THydrogen-bonded Turntrans94.8-11.1-177.800000115.7N76 S80N76-G78 PolarHBondContact O-N 3.49Å; G78-S80 PolarHBondContact O-N 3.26Å
79S76.1Confident83.1Confident16 Ų1697.5 Ų97.511%0.11252%0.517CS..G310 helixtrans-81.56.6174.275.90000113.8Y72 N76 T81 I82Y72-S79 WeakPolarHBondContact CE1-OG 3.41Å; Y72-S79 VanDerWaalsContact CZ-OG 3.3Å; Y72-S79 WeakPolarHBondContact OH-CB 3.38Å; Y72-S79 PolarHBondContact OH-OG 2.92Å; N76-S79 WeakPolarHBondContact CB-OG 3.25Å; N76-S79 PolarHBondContact O-N 2.92Å; N76-S79 VanDerWaalsContact O-N 3.15Å; N76-S79 PolarHBondContact O-OG 3.12Å; S79-T81 PolarHBondContact O-N 3.06Å; S79-T81 VanDerWaalsContact O-N 3.14Å; S79-I82 WeakPolarHBondContact O-CB 3.12Å; S79-I82 PolarHBondContact O-N 3.35Å
80S74.9Confident83.2Confident48 Ų4898.3 Ų98.334%0.33652%0.522SS..G310 helixtrans-56.1-32.1-178.954.40000113.1G78 I82 L83 Q84G78-S80 PolarHBondContact O-N 3.26Å; S80-I82 VanDerWaalsContact C-N 3.27Å; S80-I82 PolarHBondContact O-N 3.36Å; S80-L83 PolarHBondContact O-N 3.22Å; S80-Q84 PolarHBondContact O-N 2.75Å
81T76.9Confident83.2Confident90 Ų90102 Ų10255%0.55253%0.534SS*.G310 helixtrans-65.6-28.1178.952.50000112.9S79 L83 Q84S79-T81 PolarHBondContact O-N 3.06Å; S79-T81 VanDerWaalsContact O-N 3.14Å; T81-L83 VanDerWaalsContact C-N 3.29Å; T81-L83 PolarHBondContact O-N 3.46Å; T81-Q84 WeakPolarHBondContact O-CB 3.43Å; T81-Q84 PolarHBondContact O-N 3.06Å
82I78.1Confident83.4Confident125 Ų125101.5 Ų101.564%0.64154%0.536SS*.G310 helixtrans-69.6-31.9179-55.9177.2000110.8S79 S80S79-I82 WeakPolarHBondContact O-CB 3.12Å; S79-I82 PolarHBondContact O-N 3.35Å; S80-I82 VanDerWaalsContact C-N 3.27Å; S80-I82 PolarHBondContact O-N 3.36Å
83L77Confident83.8Confident73 Ų73102.9 Ų102.938%0.38255%0.548SS..G310 helixtrans-87.4-4.7177.7-63.1-176.7000113.2I69 Y72 F73 S80 T81 R85I69-L83 HydrophobicContact CD1-CD1 4.38Å; Y72-L83 HydrophobicContact CD1-CD1 3.39Å; Y72-L83 HydrophobicContact CD1-CG 4.09Å; Y72-L83 HydrophobicContact CE1-CD1 3.55Å; Y72-L83 HydrophobicContact CE1-CD2 4.25Å; Y72-L83 HydrophobicContact CE1-CG 3.72Å; Y72-L83 HydrophobicContact CG-CD1 4.39Å; F73-L83 HydrophobicContact CD2-CD1 4.4Å; F73-L83 HydrophobicContact CE1-CD1 4.47Å; F73-L83 HydrophobicContact CE2-CD1 3.82Å; F73-L83 HydrophobicContact CZ-CD1 3.85Å; S80-L83 PolarHBondContact O-N 3.22Å; T81-L83 VanDerWaalsContact C-N 3.29Å; T81-L83 PolarHBondContact O-N 3.46Å; L83-R85 PolarHBondContact O-N 3.25Å; L83-R85 VanDerWaalsContact O-N 3.12Å
84Q80.7Confident84.1Confident140 Ų140102.7 Ų102.765%0.65455%0.551SS**  trans-68113.8175-71.9-176.7-100108.8S80 T81S80-Q84 PolarHBondContact O-N 2.75Å; T81-Q84 WeakPolarHBondContact O-CB 3.43Å; T81-Q84 PolarHBondContact O-N 3.06Å
85R83Confident84.5Confident180 Ų18098.7 Ų98.768%0.67953%0.53SS*.  trans-62.8136.3171.9173.3-179.5172.7171.41.8109.4L83 T87 D90L83-R85 PolarHBondContact O-N 3.25Å; L83-R85 VanDerWaalsContact O-N 3.12Å; R85-T87 PolarHBondContact O-N 3.07Å; R85-D90 IonicContact CZ-OD1 3.03Å; R85-D90 IonicContact CZ-OD2 3.7Å; R85-D90 IonicContact NE-OD1 3.05Å; R85-D90 IonicContact NE-OD2 3.55Å; R85-D90 PolarHBondContact NE-OD2 2.67Å; R85-D90 VanDerWaalsContact NE-OD2 3.16Å; R85-D90 IonicContact NH2-OD1 3.2Å; R85-D90 PolarHBondContact NH2-OD1 3.15Å; R85-D90 IonicContact NH2-OD2 3.5Å; R85-D90 PolarHBondContact NH2-OD2 2.9Å
86D86.6Confident84.9Confident112 Ų11295.4 Ų95.460%0.59951%0.509SS*.  trans-70.4111165.8-178.67.7000109.7S88D86-S88 VanDerWaalsContact CG-OG 3.26Å; D86-S88 WeakPolarHBondContact OD1-CB 3.38Å; D86-S88 PolarHBondContact OD1-N 3.05Å; D86-S88 PolarHBondContact OD1-OG 2.73Å; D86-S88 PolarHBondContact OD2-OG 3.16Å
87T87.6Confident85.4Confident97 Ų9793.4 Ų93.460%0.59550%0.498SS*.  trans-95.53.3178.3600000112.7R85 R89 D90R85-T87 PolarHBondContact O-N 3.07Å; T87-R89 PolarHBondContact O-N 3.27Å; T87-D90 PolarHBondContact O-N 3.23Å
88S88.7Confident86.1Confident92 Ų9296 Ų9664%0.64349%0.493SS*.THydrogen-bonded Turntrans-63.9-27.4-173.465.30000113.7D86D86-S88 VanDerWaalsContact CG-OG 3.26Å; D86-S88 WeakPolarHBondContact OD1-CB 3.38Å; D86-S88 PolarHBondContact OD1-N 3.05Å; D86-S88 PolarHBondContact OD1-OG 2.73Å; D86-S88 PolarHBondContact OD2-OG 3.16Å
89R87.1Confident86.7Confident218 Ų21896.8 Ų96.882%0.82349%0.488SS*.THydrogen-bonded Turntrans-106.22.4-178.5-61.1-177.167.4131.60.5113.7T87 K91T87-R89 PolarHBondContact O-N 3.27Å; R89-K91 PolarHBondContact O-N 3.21Å
90D88.8Confident87.5Confident69 Ų6998.3 Ų98.337%0.36950%0.495SS..  trans-69.8127.3-179.8-73.1-14.2000109.3R85 T87R85-D90 IonicContact CZ-OD1 3.03Å; R85-D90 IonicContact CZ-OD2 3.7Å; R85-D90 IonicContact NE-OD1 3.05Å; R85-D90 IonicContact NE-OD2 3.55Å; R85-D90 PolarHBondContact NE-OD2 2.67Å; R85-D90 VanDerWaalsContact NE-OD2 3.16Å; R85-D90 IonicContact NH2-OD1 3.2Å; R85-D90 PolarHBondContact NH2-OD1 3.15Å; R85-D90 IonicContact NH2-OD2 3.5Å; R85-D90 PolarHBondContact NH2-OD2 2.9Å; T87-D90 PolarHBondContact O-N 3.23Å
91K90.1Very high88.3Confident158 Ų15899 Ų9969%0.68750%0.5SS*.  trans-111.5123.2173.4-66.2-175.3178.5-177.10108.3R89 L96R89-K91 PolarHBondContact O-N 3.21Å; K91-L96 HydrophobicContact CB-CD2 3.79Å; K91-L96 HydrophobicContact CB-CG 4.24Å; K91-L96 HydrophobicContact CD-CD2 3.67Å; K91-L96 HydrophobicContact CG-CD2 4.37Å
92T92.7Very high89Confident68 Ų6896.6 Ų96.642%0.41748%0.482SS..  trans-76.8157.7172.567.40000110.2I94 D95 L96T92-I94 PolarHBondContact O-N 3.02Å; T92-D95 PolarHBondContact N-OD2 3.48Å; T92-D95 PolarHBondContact O-N 3.39Å; T92-D95 PolarHBondContact OG1-N 3.18Å; T92-D95 PolarHBondContact OG1-OD2 3.04Å; T92-L96 WeakPolarHBondContact O-CG 3.35Å; T92-L96 PolarHBondContact O-N 2.64Å
93D93Very high89.7Confident99 Ų9992 Ų9253%0.52946%0.457SS..Hα-helixtrans-51.6-40.4171.157.8-17.6000112.3D95 L96 I97 L118D93-D95 PolarHBondContact O-N 3.39Å; D93-L96 PolarHBondContact O-N 3.26Å; D93-I97 VanDerWaalsContact O-CG1 3.29Å; D93-I97 WeakPolarHBondContact O-CG1 3.42Å; D93-I97 PolarHBondContact O-N 3.24Å; D93-L118 HydrophobicContact CB-CD2 4.27Å
94I93.3Very high90.4Very high87 Ų8791.4 Ų91.445%0.44645%0.454SS..Hα-helixtrans-61.4-42.7175.8-63.8168.3000111.2T92 I97 R98T92-I94 PolarHBondContact O-N 3.02Å; I94-I97 PolarHBondContact O-N 3.04Å; I94-R98 VanDerWaalsContact O-CG 3.3Å; I94-R98 WeakPolarHBondContact O-CG 3.39Å; I94-R98 PolarHBondContact O-N 2.97Å
95D93.7Very high90.9Very high62 Ų6286 Ų8633%0.33243%0.427SS..Hα-helixtrans-67.1-38.6178.8-59.7-41.8000111.7T92 D93 I97 R98 S99T92-D95 PolarHBondContact N-OD2 3.48Å; T92-D95 PolarHBondContact O-N 3.39Å; T92-D95 PolarHBondContact OG1-N 3.18Å; T92-D95 PolarHBondContact OG1-OD2 3.04Å; D93-D95 PolarHBondContact O-N 3.39Å; D95-I97 VanDerWaalsContact C-N 3.35Å; D95-R98 PolarHBondContact O-N 3.31Å; D95-R98 IonicContact OD1-NH1 3.16Å; D95-R98 PolarHBondContact OD1-NH1 3.02Å; D95-S99 WeakPolarHBondContact O-CB 3.29Å; D95-S99 PolarHBondContact O-N 3.1Å; D95-S99 PolarHBondContact O-OG 3.45Å
96L94.2Very high91.1Very high18 Ų1885.4 Ų85.49%0.09443%0.425CS..Hα-helixtrans-65.1-38.9176.2-60.7178.1000112.2K91 T92 D93 S99 N100 W114 E115K91-L96 HydrophobicContact CB-CD2 3.79Å; K91-L96 HydrophobicContact CB-CG 4.24Å; K91-L96 HydrophobicContact CD-CD2 3.67Å; K91-L96 HydrophobicContact CG-CD2 4.37Å; T92-L96 WeakPolarHBondContact O-CG 3.35Å; T92-L96 PolarHBondContact O-N 2.64Å; D93-L96 PolarHBondContact O-N 3.26Å; L96-S99 PolarHBondContact O-OG 2.93Å; L96-S99 VanDerWaalsContact O-OG 3.06Å; L96-N100 PolarHBondContact O-N 2.57Å; L96-N100 PolarHBondContact O-ND2 2.73Å; L96-W114 HydrophobicContact CD1-CZ3 3.7Å; L96-E115 HydrophobicContact CB-CG 4.34Å; L96-E115 HydrophobicContact CD1-CG 4.15Å; L96-E115 HydrophobicContact CD2-CG 3.88Å; L96-E115 HydrophobicContact CG-CG 4.34Å
97I94.4Very high91Very high28 Ų2888.1 Ų88.114%0.14444%0.44CS..Hα-helixtrans-66.2-48174.4-68.2164.7000109.5D93 I94 D95 S99 N100 S101 L118 Y122D93-I97 VanDerWaalsContact O-CG1 3.29Å; D93-I97 WeakPolarHBondContact O-CG1 3.42Å; D93-I97 PolarHBondContact O-N 3.24Å; I94-I97 PolarHBondContact O-N 3.04Å; D95-I97 VanDerWaalsContact C-N 3.35Å; I97-S99 VanDerWaalsContact C-N 3.29Å; I97-S99 PolarHBondContact O-N 2.79Å; I97-N100 PolarHBondContact O-N 2.82Å; I97-S101 WeakPolarHBondContact O-CA 3.44Å; I97-S101 WeakPolarHBondContact O-CB 3.3Å; I97-S101 PolarHBondContact O-N 3.34Å; I97-S101 PolarHBondContact O-OG 2.93Å; I97-L118 HydrophobicContact CD1-CD2 4.36Å; I97-L118 HydrophobicContact CD1-CG 4.22Å; I97-L118 HydrophobicContact CG1-CD2 4.06Å; I97-L118 HydrophobicContact CG1-CG 3.96Å; I97-Y122 HydrophobicContact CD1-CD2 4.43Å; I97-Y122 HydrophobicContact CD1-CG 4.38Å; I97-Y122 HydrophobicContact CG2-CD1 3.9Å; I97-Y122 HydrophobicContact CG2-CE1 4.41Å; I97-Y122 HydrophobicContact CG2-CG 4.18Å
98R92.4Very high90.8Very high172 Ų17290.7 Ų90.765%0.64945%0.45SS*.Hα-helixtrans-60.2-36.9178.8-73.9173.4-174156-0.9112.9I94 D95 S101I94-R98 VanDerWaalsContact O-CG 3.3Å; I94-R98 WeakPolarHBondContact O-CG 3.39Å; I94-R98 PolarHBondContact O-N 2.97Å; D95-R98 PolarHBondContact O-N 3.31Å; D95-R98 IonicContact OD1-NH1 3.16Å; D95-R98 PolarHBondContact OD1-NH1 3.02Å; R98-S101 PolarHBondContact O-OG 3.39Å
99S92.3Very high90.6Very high80 Ų8088 Ų8856%0.55943%0.428SS*.Hα-helixtrans-75.8-29.3-178.964.50000113.6D95 L96 I97D95-S99 WeakPolarHBondContact O-CB 3.29Å; D95-S99 PolarHBondContact O-N 3.1Å; D95-S99 PolarHBondContact O-OG 3.45Å; L96-S99 PolarHBondContact O-OG 2.93Å; L96-S99 VanDerWaalsContact O-OG 3.06Å; I97-S99 VanDerWaalsContact C-N 3.29Å; I97-S99 PolarHBondContact O-N 2.79Å
100N92.3Very high90.4Very high49 Ų4983.7 Ų83.726%0.26242%0.417SS..Hα-helixtrans-1144.3-174.9-60.5-71.9000113.5L96 I97 K102 E115 K116 A119L96-N100 PolarHBondContact O-N 2.57Å; L96-N100 PolarHBondContact O-ND2 2.73Å; I97-N100 PolarHBondContact O-N 2.82Å; N100-K102 PolarHBondContact O-N 3.33Å; N100-E115 VanDerWaalsContact ND2-CB 3.32Å; N100-E115 WeakPolarHBondContact ND2-CB 3.14Å; N100-K116 HydrophobicContact CB-CG 4.35Å; N100-A119 HydrophobicContact CB-CB 4.14Å
101S91.3Very high90.3Very high63 Ų6380.5 Ų80.544%0.44140%0.401SS..  trans-70.7124-179.656.90000110.3I97 R98I97-S101 WeakPolarHBondContact O-CA 3.44Å; I97-S101 WeakPolarHBondContact O-CB 3.3Å; I97-S101 PolarHBondContact O-N 3.34Å; I97-S101 PolarHBondContact O-OG 2.93Å; R98-S101 PolarHBondContact O-OG 3.39Å
102K91.7Very high90.2Very high39 Ų3978.4 Ų78.417%0.1740%0.397CS..  trans-93.6146.2166-65.8-179.3171.5177.40111.5N100 W105 D109 E184N100-K102 PolarHBondContact O-N 3.33Å; K102-W105 HydrophobicContact CB-CD2 4.42Å; K102-W105 HydrophobicContact CB-CG 4.43Å; K102-W105 HydrophobicContact CD-CD2 4.27Å; K102-W105 HydrophobicContact CD-CE3 4.32Å; K102-W105 HydrophobicContact CD-CZ2 4.46Å; K102-W105 HydrophobicContact CD-CZ3 4.44Å; K102-W105 HydrophobicContact CG-CZ2 4.38Å; K102-D109 IonicContact NZ-OD1 2.7Å; K102-D109 PolarHBondContact NZ-OD1 2.83Å; K102-D109 IonicContact NZ-OD2 3.66Å; K102-E184 WeakPolarHBondContact CA-OE1 3.2Å; K102-E184 WeakPolarHBondContact CB-OE1 3.33Å
103F92.1Very high90.3Very high28 Ų2878.4 Ų78.412%0.12340%0.397CS..SBendtrans-68.1-40.3175-176.8-103.5000112Y123 W147 F180 Y182 E184 A191 V193F103-Y123 WeakPolarHBondContact O-CE2 3.39Å; F103-W147 AromaticContact CE1-CZ2 3.92Å; F103-W147 HydrophobicContact CE1-CZ2 3.92Å; F103-W147 HydrophobicContact CE2-CZ2 4.43Å; F103-W147 AromaticContact CE2-NE1 3.76Å; F103-W147 AromaticContact CZ-CE2 3.86Å; F103-W147 AromaticContact CZ-CZ2 3.72Å; F103-W147 HydrophobicContact CZ-CZ2 3.72Å; F103-W147 AromaticContact CZ-NE1 3.91Å; F103-W147 PolarHBondContact O-NE1 3.12Å; F103-F180 HydrophobicContact CD1-CD1 4.19Å; F103-F180 HydrophobicContact CD1-CE1 4.32Å; F103-F180 HydrophobicContact CD2-CE1 4.1Å; F103-F180 AromaticContact CE1-CD1 3.81Å; F103-F180 HydrophobicContact CE1-CD1 3.81Å; F103-F180 HydrophobicContact CE1-CE1 4.24Å; F103-F180 HydrophobicContact CE2-CD1 4.24Å; F103-F180 HydrophobicContact CE2-CE1 4Å; F103-F180 HydrophobicContact CG-CE1 4.27Å; F103-F180 AromaticContact CZ-CD1 3.84Å; F103-F180 HydrophobicContact CZ-CD1 3.84Å; F103-F180 HydrophobicContact CZ-CE1 4.09Å; F103-Y182 HydrophobicContact CB-CD2 4.26Å; F103-Y182 HydrophobicContact CB-CE1 4.42Å; F103-Y182 HydrophobicContact CB-CE2 3.71Å; F103-Y182 HydrophobicContact CD1-CD1 4.32Å; F103-Y182 AromaticContact CD1-CE1 3.66Å; F103-Y182 HydrophobicContact CD1-CE1 3.66Å; F103-Y182 HydrophobicContact CD1-CE2 4.47Å; F103-Y182 AromaticContact CD1-CZ 3.75Å; F103-Y182 HydrophobicContact CE1-CE1 4.37Å; F103-Y182 HydrophobicContact CG-CE1 4.29Å; F103-Y182 HydrophobicContact CG-CE2 4.42Å; F103-E184 PolarHBondContact N-OE1 3.27Å; F103-A191 HydrophobicContact CD1-CB 4.37Å; F103-A191 HydrophobicContact CE1-CB 3.96Å; F103-V193 HydrophobicContact CE1-CG2 3.97Å; F103-V193 HydrophobicContact CZ-CG2 3.89Å
104L92.5Very high90.3Very high60 Ų6081.1 Ų81.131%0.31440%0.4SS..SBendtrans-132121.6171.8-71.5173.8000109W147 A191L104-W147 HydrophobicContact CD2-CZ2 3.9Å; L104-A191 HydrophobicContact CD1-CB 3.66Å
105W91.4Very high90.3Very high26 Ų2680 Ų8010%0.09839%0.393CS..  trans-84.4127.7165.8-7178.6000109K102 D109 A111 K116 A119 K120 Y123K102-W105 HydrophobicContact CB-CD2 4.42Å; K102-W105 HydrophobicContact CB-CG 4.43Å; K102-W105 HydrophobicContact CD-CD2 4.27Å; K102-W105 HydrophobicContact CD-CE3 4.32Å; K102-W105 HydrophobicContact CD-CZ2 4.46Å; K102-W105 HydrophobicContact CD-CZ3 4.44Å; K102-W105 HydrophobicContact CG-CZ2 4.38Å; W105-D109 HydrophobicContact CE3-CB 3.79Å; W105-D109 HydrophobicContact CZ3-CB 4.22Å; W105-A111 HydrophobicContact CZ3-CB 4.46Å; W105-K116 HydrophobicContact CH2-CB 4.19Å; W105-A119 HydrophobicContact CZ2-CB 4.19Å; W105-K120 HydrophobicContact CD2-CB 4.4Å; W105-K120 HydrophobicContact CD2-CG 4.31Å; W105-K120 HydrophobicContact CE3-CB 4.48Å; W105-K120 HydrophobicContact CE3-CD 4.23Å; W105-K120 HydrophobicContact CE3-CG 4.33Å; W105-K120 HydrophobicContact CH2-CB 4.22Å; W105-K120 HydrophobicContact CZ2-CB 4.12Å; W105-K120 HydrophobicContact CZ3-CB 4.39Å; W105-K120 HydrophobicContact CZ3-CD 4.39Å; W105-Y123 HydrophobicContact CB-CD1 4.02Å; W105-Y123 HydrophobicContact CB-CE1 3.78Å; W105-Y123 AromaticContact CD1-CD1 3.4Å; W105-Y123 AromaticContact CD1-CD2 3.64Å; W105-Y123 AromaticContact CD1-CE1 3.83Å; W105-Y123 AromaticContact CD1-CG 3.28Å; W105-Y123 AromaticContact CG-CD1 3.92Å; W105-Y123 HydrophobicContact CG-CD1 3.92Å; W105-Y123 HydrophobicContact CG-CE1 4.14Å; W105-Y123 HydrophobicContact CG-CG 4.23Å; W105-Y123 AromaticContact NE1-CG 3.87Å
106R86.8Confident90.2Very high169 Ų16980.1 Ų80.164%0.63839%0.391SS*.  trans-90.8159.7169.5-61.3-177.7-179.5176.11.1109.7D108 D109R106-D108 PolarHBondContact O-N 3.06Å; R106-D109 PolarHBondContact N-OD2 3.19Å; R106-D109 WeakPolarHBondContact O-CB 3.48Å; R106-D109 PolarHBondContact O-N 2.93Å
107D84.1Confident90.2Very high168 Ų16884.1 Ų84.190%0.89841%0.407SS*.THydrogen-bonded Turntrans-63.1-27.7177.9-61.5-36.4000112.1D109D107-D109 VanDerWaalsContact C-N 3.27Å; D107-D109 PolarHBondContact O-N 3.21Å
108D84.5Confident90.3Very high151 Ų15184.6 Ų84.681%0.80741%0.41SS*.THydrogen-bonded Turntrans-74.1-13.4175.2-55.2-38.6000113.6R106 E110R106-D108 PolarHBondContact O-N 3.06Å; D108-E110 PolarHBondContact O-N 3.08Å; D108-E110 VanDerWaalsContact O-N 3.16Å
109D84.3Confident90.4Very high36 Ų3676.5 Ų76.519%0.19338%0.379CS..  trans-80.896.6-179.3-70.8-56.5000110.7K102 W105 R106 D107K102-D109 IonicContact NZ-OD1 2.7Å; K102-D109 PolarHBondContact NZ-OD1 2.83Å; K102-D109 IonicContact NZ-OD2 3.66Å; W105-D109 HydrophobicContact CE3-CB 3.79Å; W105-D109 HydrophobicContact CZ3-CB 4.22Å; R106-D109 PolarHBondContact N-OD2 3.19Å; R106-D109 WeakPolarHBondContact O-CB 3.48Å; R106-D109 PolarHBondContact O-N 2.93Å; D107-D109 VanDerWaalsContact C-N 3.27Å; D107-D109 PolarHBondContact O-N 3.21Å
110E82.8Confident90.5Very high127 Ų12775.3 Ų75.359%0.59336%0.364SS*.  trans-77.5138.6173.5-169.453.1-10300111.8D108 D112D108-E110 PolarHBondContact O-N 3.08Å; D108-E110 VanDerWaalsContact O-N 3.16Å; E110-D112 PolarHBondContact O-N 3.33Å
111A86.1Confident90.6Very high3 Ų381.2 Ų81.23%0.02538%0.383CS..  trans-95.780.5-179.800000109.8W105 K116 K117 K120W105-A111 HydrophobicContact CZ3-CB 4.46Å; A111-K116 HydrophobicContact CB-CB 4.03Å; A111-K117 HydrophobicContact CB-CB 4.46Å; A111-K117 HydrophobicContact CB-CG 3.69Å; A111-K117 WeakPolarHBondContact O-CE 3.37Å; A111-K117 VanDerWaalsContact O-CG 3.31Å; A111-K117 WeakPolarHBondContact O-CG 3.4Å; A111-K120 HydrophobicContact CB-CD 4.13Å
112D88.8Confident90.7Very high114 Ų11483.4 Ų83.461%0.6138%0.382SS*.  trans-64.1-48.5-175.7-51.6-48.3000112.5E110E110-D112 PolarHBondContact O-N 3.33Å
113T93.3Very high90.9Very high67 Ų6782.9 Ų82.941%0.41138%0.379SS..SBendtrans-88.5149.6-174.6-20.60000111.3E115 K116 K117T113-E115 WeakPolarHBondContact CB-OE2 3.46Å; T113-E115 WeakPolarHBondContact CG2-OE2 3.22Å; T113-E115 PolarHBondContact O-N 3.47Å; T113-K116 WeakPolarHBondContact O-CB 3.45Å; T113-K116 PolarHBondContact O-N 3.1Å; T113-K116 VanDerWaalsContact O-N 3.08Å; T113-K117 PolarHBondContact O-N 2.9Å
114W93.4Very high91Very high157 Ų15787.3 Ų87.360%0.59540%0.401SS*.Hα-helixtrans-57.4-36.6178.7177.688.4000112.2L96 K117 L118L96-W114 HydrophobicContact CD1-CZ3 3.7Å; W114-K117 WeakPolarHBondContact O-CB 3.22Å; W114-K117 PolarHBondContact O-N 3.17Å; W114-L118 HydrophobicContact CH2-CD2 3.93Å; W114-L118 HydrophobicContact CZ3-CD2 4.13Å; W114-L118 PolarHBondContact O-N 3.04Å
115E93.5Very high91.1Very high63 Ų6390.6 Ų90.629%0.29441%0.412SS..Hα-helixtrans-63.8-41.6176.9-60.380.2173.500111.9L96 N100 T113 K117 L118 A119L96-E115 HydrophobicContact CB-CG 4.34Å; L96-E115 HydrophobicContact CD1-CG 4.15Å; L96-E115 HydrophobicContact CD2-CG 3.88Å; L96-E115 HydrophobicContact CG-CG 4.34Å; N100-E115 VanDerWaalsContact ND2-CB 3.32Å; N100-E115 WeakPolarHBondContact ND2-CB 3.14Å; T113-E115 WeakPolarHBondContact CB-OE2 3.46Å; T113-E115 WeakPolarHBondContact CG2-OE2 3.22Å; T113-E115 PolarHBondContact O-N 3.47Å; E115-K117 VanDerWaalsContact C-N 3.34Å; E115-L118 WeakPolarHBondContact O-CB 2.89Å; E115-L118 PolarHBondContact O-N 3.09Å; E115-A119 PolarHBondContact O-N 3.21Å
116K92.9Very high91.3Very high65 Ų6590.4 Ų90.428%0.28341%0.413SS..Hα-helixtrans-64.5-40.1173.2-71.5-176-179.9178.50110.8N100 W105 A111 T113 L118 A119 K120N100-K116 HydrophobicContact CB-CG 4.35Å; W105-K116 HydrophobicContact CH2-CB 4.19Å; A111-K116 HydrophobicContact CB-CB 4.03Å; T113-K116 WeakPolarHBondContact O-CB 3.45Å; T113-K116 PolarHBondContact O-N 3.1Å; T113-K116 VanDerWaalsContact O-N 3.08Å; K116-L118 VanDerWaalsContact C-N 3.32Å; K116-L118 PolarHBondContact O-N 3.24Å; K116-A119 PolarHBondContact O-N 3.25Å; K116-K120 WeakPolarHBondContact O-CB 3.38Å; K116-K120 PolarHBondContact O-N 2.92Å
117K94.1Very high91.7Very high102 Ų10287.1 Ų87.144%0.44340%0.401SS..Hα-helixtrans-62.2-40.1175.1-66.1178.3-175.4-179.50111.5A111 T113 W114 E115 K120 R121A111-K117 HydrophobicContact CB-CB 4.46Å; A111-K117 HydrophobicContact CB-CG 3.69Å; A111-K117 WeakPolarHBondContact O-CE 3.37Å; A111-K117 VanDerWaalsContact O-CG 3.31Å; A111-K117 WeakPolarHBondContact O-CG 3.4Å; T113-K117 PolarHBondContact O-N 2.9Å; W114-K117 WeakPolarHBondContact O-CB 3.22Å; W114-K117 PolarHBondContact O-N 3.17Å; E115-K117 VanDerWaalsContact C-N 3.34Å; K117-K120 PolarHBondContact O-N 3.38Å; K117-R121 VanDerWaalsContact O-CG 3.31Å; K117-R121 WeakPolarHBondContact O-CG 3.4Å; K117-R121 PolarHBondContact O-N 3.1Å
118L95Very high92.1Very high37 Ų3783 Ų8319%0.19438%0.375CS..Hα-helixtrans-63.8-46.5174.9-17964.5000111.5D93 I97 W114 E115 K116 K120 R121 Y122D93-L118 HydrophobicContact CB-CD2 4.27Å; I97-L118 HydrophobicContact CD1-CD2 4.36Å; I97-L118 HydrophobicContact CD1-CG 4.22Å; I97-L118 HydrophobicContact CG1-CD2 4.06Å; I97-L118 HydrophobicContact CG1-CG 3.96Å; W114-L118 HydrophobicContact CH2-CD2 3.93Å; W114-L118 HydrophobicContact CZ3-CD2 4.13Å; W114-L118 PolarHBondContact O-N 3.04Å; E115-L118 WeakPolarHBondContact O-CB 2.89Å; E115-L118 PolarHBondContact O-N 3.09Å; K116-L118 VanDerWaalsContact C-N 3.32Å; K116-L118 PolarHBondContact O-N 3.24Å; L118-K120 PolarHBondContact O-N 2.98Å; L118-R121 PolarHBondContact O-N 3.13Å; L118-Y122 PolarHBondContact O-N 3.36Å
119A94.9Very high92.5Very high2 Ų281.9 Ų81.92%0.01737%0.365CS..Hα-helixtrans-62.6-39.9176.600000112.4N100 W105 E115 K116 Y122 Y123N100-A119 HydrophobicContact CB-CB 4.14Å; W105-A119 HydrophobicContact CZ2-CB 4.19Å; E115-A119 PolarHBondContact O-N 3.21Å; K116-A119 PolarHBondContact O-N 3.25Å; A119-Y122 PolarHBondContact O-N 3.19Å; A119-Y123 PolarHBondContact O-N 2.88Å
120K94.3Very high93Very high55 Ų5582.4 Ų82.424%0.23937%0.365CS..Hα-helixtrans-63.2-46.6175.6-172.4172.4-178.6169.40111.8W105 A111 K116 K117 L118 Y122 Y123 E124W105-K120 HydrophobicContact CD2-CB 4.4Å; W105-K120 HydrophobicContact CD2-CG 4.31Å; W105-K120 HydrophobicContact CE3-CB 4.48Å; W105-K120 HydrophobicContact CE3-CD 4.23Å; W105-K120 HydrophobicContact CE3-CG 4.33Å; W105-K120 HydrophobicContact CH2-CB 4.22Å; W105-K120 HydrophobicContact CZ2-CB 4.12Å; W105-K120 HydrophobicContact CZ3-CB 4.39Å; W105-K120 HydrophobicContact CZ3-CD 4.39Å; A111-K120 HydrophobicContact CB-CD 4.13Å; K116-K120 WeakPolarHBondContact O-CB 3.38Å; K116-K120 PolarHBondContact O-N 2.92Å; K117-K120 PolarHBondContact O-N 3.38Å; L118-K120 PolarHBondContact O-N 2.98Å; K120-Y122 VanDerWaalsContact C-N 3.29Å; K120-Y122 PolarHBondContact O-N 3.27Å; K120-Y123 WeakPolarHBondContact O-CB 3.49Å; K120-Y123 PolarHBondContact O-N 3.03Å; K120-Y123 VanDerWaalsContact O-N 3.09Å; K120-E124 WeakPolarHBondContact O-CG 3.49Å; K120-E124 PolarHBondContact O-N 3.48Å
121R94.2Very high93.5Very high174 Ų17476.3 Ų76.366%0.65734%0.337SS*.Hα-helixtrans-57.7-41.3173.8-73.5175-177-172.20.6112.3K117 L118 E124 K125K117-R121 VanDerWaalsContact O-CG 3.31Å; K117-R121 WeakPolarHBondContact O-CG 3.4Å; K117-R121 PolarHBondContact O-N 3.1Å; L118-R121 PolarHBondContact O-N 3.13Å; R121-E124 PolarHBondContact O-N 3.33Å; R121-K125 PolarHBondContact O-N 3.31Å
122Y95.1Very high93.9Very high109 Ų10976.3 Ų76.343%0.42734%0.336SS..Hα-helixtrans-64.3-42.6175.4-178.5-99.3000111.7I97 L118 A119 K120 E124 K125 L126I97-Y122 HydrophobicContact CD1-CD2 4.43Å; I97-Y122 HydrophobicContact CD1-CG 4.38Å; I97-Y122 HydrophobicContact CG2-CD1 3.9Å; I97-Y122 HydrophobicContact CG2-CE1 4.41Å; I97-Y122 HydrophobicContact CG2-CG 4.18Å; L118-Y122 PolarHBondContact O-N 3.36Å; A119-Y122 PolarHBondContact O-N 3.19Å; K120-Y122 VanDerWaalsContact C-N 3.29Å; K120-Y122 PolarHBondContact O-N 3.27Å; Y122-E124 PolarHBondContact O-N 2.96Å; Y122-K125 WeakPolarHBondContact O-CB 3.23Å; Y122-K125 PolarHBondContact O-N 3.24Å; Y122-L126 HydrophobicContact CD1-CD1 4.2Å; Y122-L126 HydrophobicContact CE1-CD1 3.9Å; Y122-L126 HydrophobicContact CE1-CD2 4.34Å; Y122-L126 HydrophobicContact CE1-CG 4.34Å
123Y94.9Very high94.1Very high27 Ų2770.9 Ų70.911%0.10631%0.307CS..Hα-helixtrans-63.4-37.1176.8174.5-97.2000113.7F103 W105 A119 K120 K125 L126 K128F103-Y123 WeakPolarHBondContact O-CE2 3.39Å; W105-Y123 HydrophobicContact CB-CD1 4.02Å; W105-Y123 HydrophobicContact CB-CE1 3.78Å; W105-Y123 AromaticContact CD1-CD1 3.4Å; W105-Y123 AromaticContact CD1-CD2 3.64Å; W105-Y123 AromaticContact CD1-CE1 3.83Å; W105-Y123 AromaticContact CD1-CG 3.28Å; W105-Y123 AromaticContact CG-CD1 3.92Å; W105-Y123 HydrophobicContact CG-CD1 3.92Å; W105-Y123 HydrophobicContact CG-CE1 4.14Å; W105-Y123 HydrophobicContact CG-CG 4.23Å; W105-Y123 AromaticContact NE1-CG 3.87Å; A119-Y123 PolarHBondContact O-N 2.88Å; K120-Y123 WeakPolarHBondContact O-CB 3.49Å; K120-Y123 PolarHBondContact O-N 3.03Å; K120-Y123 VanDerWaalsContact O-N 3.09Å; Y123-K125 VanDerWaalsContact C-N 3.27Å; Y123-K125 PolarHBondContact O-N 2.89Å; Y123-L126 WeakPolarHBondContact O-CB 3.29Å; Y123-L126 PolarHBondContact O-N 3.18Å; Y123-L126 VanDerWaalsContact O-N 3.16Å; Y123-K128 HydrophobicContact CE1-CD 4.12Å; Y123-K128 HydrophobicContact CE2-CD 4.11Å; Y123-K128 PolarHBondContact O-NZ 3.38Å; Y123-K128 WeakPolarHBondContact OH-CD 3.38Å
124E93.7Very high94.1Very high122 Ų12269.7 Ų69.757%0.5730%0.299SS*.Hα-helixtrans-63.2-34.5175.1-73.9168.4-175.800112K120 R121 Y122 L126K120-E124 WeakPolarHBondContact O-CG 3.49Å; K120-E124 PolarHBondContact O-N 3.48Å; R121-E124 PolarHBondContact O-N 3.33Å; Y122-E124 PolarHBondContact O-N 2.96Å; E124-L126 PolarHBondContact O-N 3.29Å
125K95.1Very high93.8Very high128 Ų12863.5 Ų63.556%0.55728%0.277SS*.Hα-helixtrans-68.9-19.2175.5-168.6173.9-179.21770113.5R121 Y122 Y123 E150R121-K125 PolarHBondContact O-N 3.31Å; Y122-K125 WeakPolarHBondContact O-CB 3.23Å; Y122-K125 PolarHBondContact O-N 3.24Å; Y123-K125 VanDerWaalsContact C-N 3.27Å; Y123-K125 PolarHBondContact O-N 2.89Å; K125-E150 VanDerWaalsContact CE-OE2 3.28Å; K125-E150 WeakPolarHBondContact CE-OE2 3.3Å; K125-E150 IonicContact NZ-OE2 2.73Å
126L95.6Very high93.5Very high22 Ų2263.6 Ų63.612%0.11528%0.284CS..SBendtrans-81.3141.9-179-63.5168.6000112Y122 Y123 E124 K128 W147 I149Y122-L126 HydrophobicContact CD1-CD1 4.2Å; Y122-L126 HydrophobicContact CE1-CD1 3.9Å; Y122-L126 HydrophobicContact CE1-CD2 4.34Å; Y122-L126 HydrophobicContact CE1-CG 4.34Å; Y123-L126 WeakPolarHBondContact O-CB 3.29Å; Y123-L126 PolarHBondContact O-N 3.18Å; Y123-L126 VanDerWaalsContact O-N 3.16Å; E124-L126 PolarHBondContact O-N 3.29Å; L126-K128 PolarHBondContact O-NZ 3.41Å; L126-W147 HydrophobicContact CB-CB 3.92Å; L126-W147 HydrophobicContact CD1-CB 4.11Å; L126-W147 HydrophobicContact CD2-CB 4.49Å; L126-W147 HydrophobicContact CG-CB 4.4Å; L126-I149 HydrophobicContact CD2-CG2 3.77Å
127Y95.5Very high93.3Very high100 Ų10065.9 Ų65.939%0.39230%0.296SS..EExtended strand (participates in β ladder)trans-91.4124.3178.8-65.4-93.8000110.9R148 E150 V153Y127-R148 PolarHBondContact N-O 2.97Å; Y127-R148 PolarHBondContact O-N 3.16Å; Y127-E150 HydrophobicContact CE2-CB 3.94Å; Y127-E150 HydrophobicContact CE2-CG 4.38Å; Y127-V153 HydrophobicContact CD1-CG2 4.33Å; Y127-V153 HydrophobicContact CD2-CB 4.49Å; Y127-V153 HydrophobicContact CD2-CG2 3.61Å; Y127-V153 HydrophobicContact CE2-CG2 4.24Å; Y127-V153 HydrophobicContact CG-CG2 3.67Å
128K92.9Very high92.7Very high82 Ų8263 Ų6336%0.35728%0.284SS..EExtended strand (participates in β ladder)trans-104.813-165.9-68.4170.8-80.2-74.50115.2Y123 L126 W147Y123-K128 HydrophobicContact CE1-CD 4.12Å; Y123-K128 HydrophobicContact CE2-CD 4.11Å; Y123-K128 PolarHBondContact O-NZ 3.38Å; Y123-K128 WeakPolarHBondContact OH-CD 3.38Å; L126-K128 PolarHBondContact O-NZ 3.41Å; K128-W147 HydrophobicContact CB-CD2 4.5Å; K128-W147 HydrophobicContact CB-CE3 4.07Å; K128-W147 HydrophobicContact CB-CH2 4.43Å; K128-W147 HydrophobicContact CB-CZ3 4.03Å; K128-W147 HydrophobicContact CG-CD2 3.99Å; K128-W147 HydrophobicContact CG-CE3 4.05Å; K128-W147 HydrophobicContact CG-CG 4.4Å; K128-W147 HydrophobicContact CG-CZ3 4.39Å; K128-W147 VanDerWaalsContact O-CZ3 3.25Å; K128-W147 WeakPolarHBondContact O-CZ3 3.09Å
129E92.9Very high92.2Very high128 Ų12868.1 Ų68.160%0.59830%0.304SS*.EExtended strand (participates in β ladder)trans-77.2-49.4179.7-62.6-55.8129.400113.2K194E129-K194 WeakPolarHBondContact O-CB 3.44Å
130Y94.1Very high91.9Very high46 Ų4673.4 Ų73.418%0.1833%0.328CS..EExtended strand (participates in β ladder)trans-130.8140.8179.8-66-80.8000109.2R148 K194 R196Y130-R148 WeakPolarHBondContact O-CG 3.36Å; Y130-R148 PolarHBondContact O-NE 2.99Å; Y130-K194 HydrophobicContact CD1-CB 4.32Å; Y130-R196 HydrophobicContact CD1-CB 4.04Å; Y130-R196 HydrophobicContact CE1-CB 4.19Å
131C93.7Very high91.3Very high0 Ų076.2 Ų76.20%035%0.346CS..EExtended strand (participates in β ladder)trans-94.7153.6171.8-850000112.2L145 W147 V193 K194C131-L145 HydrophobicContact CB-CD2 4.38Å; C131-W147 WeakPolarHBondContact SG-CZ3 3.32Å; C131-V193 HydrophobicContact CB-CG1 3.44Å; C131-V193 VanDerWaalsContact CB-CG1 3.44Å; C131-V193 WeakPolarHBondContact SG-CG1 2.9Å; C131-K194 PolarHBondContact N-O 3.44Å
132I94.4Very high91.1Very high2 Ų273.9 Ų73.91%0.0134%0.341CS..EExtended strand (participates in β ladder)trans-97.7128.6165-66.3168.4000107.5R146 R148 E152 K157 G163 K165I132-R146 HydrophobicContact CB-CG 4.28Å; I132-R146 PolarHBondContact N-O 3.41Å; I132-R146 PolarHBondContact O-N 2.74Å; I132-R148 HydrophobicContact CD1-CG 3.85Å; I132-R148 HydrophobicContact CG1-CG 3.87Å; I132-E152 HydrophobicContact CD1-CB 4.18Å; I132-E152 HydrophobicContact CD1-CG 4.04Å; I132-K157 HydrophobicContact CD1-CD 3.99Å; I132-K157 HydrophobicContact CD1-CG 4.29Å; I132-G163 CarbonylContact C-O 3.12Å; I132-G163 VanDerWaalsContact CA-O 3.23Å; I132-G163 WeakPolarHBondContact CA-O 3.22Å; I132-G163 WeakPolarHBondContact CG2-O 3.43Å; I132-K165 HydrophobicContact CG2-CB 4.4Å
133G92.7Very high90.8Very high1 Ų170.3 Ų70.31%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-105.5149.6177.100000113G144 G163 E164 K165G133-G144 CarbonylContact C-O 3.57Å; G133-G144 VanDerWaalsContact CA-O 3.27Å; G133-G144 WeakPolarHBondContact CA-O 3.41Å; G133-G163 PolarHBondContact N-O 2.92Å; G133-E164 CarbonylContact O-C 3.5Å; G133-E164 WeakPolarHBondContact O-CA 3.1Å; G133-K165 WeakPolarHBondContact O-CB 3.44Å; G133-K165 PolarHBondContact O-N 2.93Å
134D92.7Very high90.7Very high42 Ų4270.7 Ų70.723%0.22534%0.34CS..EExtended strand (participates in β ladder)trans-111.3106.3161-165.2-21.6000107.2S136 G144 E164 K165 H166D134-S136 WeakPolarHBondContact OD1-CB 3.03Å; D134-S136 PolarHBondContact OD1-N 3.33Å; D134-S136 VanDerWaalsContact OD1-N 3.08Å; D134-S136 PolarHBondContact OD1-OG 3.37Å; D134-G144 PolarHBondContact N-O 2.91Å; D134-G144 PolarHBondContact O-N 2.97Å; D134-E164 WeakPolarHBondContact CA-OE1 3.13Å; D134-K165 HydrophobicContact CB-CB 4.49Å; D134-K165 HydrophobicContact CB-CD 4.27Å; D134-K165 WeakPolarHBondContact OD2-CD 3.38Å; D134-K165 IonicContact OD2-NZ 2.73Å; D134-K165 PolarHBondContact OD2-NZ 3.34Å; D134-H166 IonicContact OD1-CE1 3.67Å; D134-H166 IonicContact OD1-ND1 3.73Å; D134-H166 IonicContact OD2-CE1 3.18Å
135L87.3Confident90.7Very high27 Ų2765.9 Ų65.914%0.14132%0.319CS..  trans-97.813.6179.4-64.1174.1000111.6H137 F138 I143 E164 F220L135-H137 PolarHBondContact O-N 3.3Å; L135-H137 VanDerWaalsContact O-N 3.1Å; L135-F138 HydrophobicContact CB-CB 4.49Å; L135-F138 WeakPolarHBondContact O-CB 3.29Å; L135-F138 WeakPolarHBondContact O-CD1 3.27Å; L135-F138 PolarHBondContact O-N 2.8Å; L135-I143 HydrophobicContact CD2-CB 4.2Å; L135-I143 HydrophobicContact CD2-CG2 3.6Å; L135-E164 VanDerWaalsContact CB-OE2 3.29Å; L135-E164 WeakPolarHBondContact CB-OE2 3.32Å; L135-E164 VanDerWaalsContact CD1-OE2 3.3Å; L135-E164 WeakPolarHBondContact CD1-OE2 3.42Å; L135-E164 WeakPolarHBondContact CG-OE2 3.48Å; L135-E164 PolarHBondContact N-OE1 3.09Å; L135-E164 PolarHBondContact N-OE2 3.4Å; L135-F220 HydrophobicContact CD1-CZ 4.47Å; L135-F220 HydrophobicContact CD2-CE2 4.32Å; L135-F220 HydrophobicContact CD2-CZ 4.14Å
136S87.8Confident90.6Very high64 Ų6464.6 Ų64.645%0.44831%0.31SS..THydrogen-bonded Turntrans-55.3-33.8-176.5-58.50000113.8D134 H166D134-S136 WeakPolarHBondContact OD1-CB 3.03Å; D134-S136 PolarHBondContact OD1-N 3.33Å; D134-S136 VanDerWaalsContact OD1-N 3.08Å; D134-S136 PolarHBondContact OD1-OG 3.37Å; S136-H166 PolarHBondContact OG-CE1 3Å
137H88Confident90.6Very high113 Ų11364.9 Ų64.952%0.52331%0.31SS..THydrogen-bonded Turntrans-110.524-176.9-61.1-66000113.9L135 K139 E140 K142L135-H137 PolarHBondContact O-N 3.3Å; L135-H137 VanDerWaalsContact O-N 3.1Å; H137-K139 PolarHBondContact O-N 2.95Å; H137-K139 VanDerWaalsContact O-N 3.13Å; H137-E140 PolarHBondContact O-N 3.32Å; H137-K142 CarbonylContact C-O 3.6Å; H137-K142 HydrophobicContact CB-CB 4.04Å; H137-K142 PolarHBondContact O-N 2.81Å; H137-K142 VanDerWaalsContact O-O 3.14Å
138F82.6Confident90.6Very high43 Ų4360.4 Ų60.419%0.18929%0.292CS..G310 helixtrans-60.5-27.7-176.380.8-83000114L135 E140 N141 K142 I143 L212 V216L135-F138 HydrophobicContact CB-CB 4.49Å; L135-F138 WeakPolarHBondContact O-CB 3.29Å; L135-F138 WeakPolarHBondContact O-CD1 3.27Å; L135-F138 PolarHBondContact O-N 2.8Å; F138-E140 PolarHBondContact O-N 2.96Å; F138-N141 WeakPolarHBondContact O-CA 3.3Å; F138-N141 PolarHBondContact O-N 2.88Å; F138-K142 PolarHBondContact N-O 3.25Å; F138-I143 HydrophobicContact CB-CG2 4.49Å; F138-L212 HydrophobicContact CD2-CD2 4.43Å; F138-L212 HydrophobicContact CE1-CD2 4.2Å; F138-L212 HydrophobicContact CE2-CB 3.99Å; F138-L212 HydrophobicContact CE2-CD2 3.32Å; F138-L212 HydrophobicContact CE2-CG 4.23Å; F138-L212 HydrophobicContact CZ-CB 3.96Å; F138-L212 HydrophobicContact CZ-CD1 4.43Å; F138-L212 HydrophobicContact CZ-CD2 3.22Å; F138-L212 HydrophobicContact CZ-CG 4.03Å; F138-V216 HydrophobicContact CD2-CG2 3.32Å; F138-V216 HydrophobicContact CE2-CG2 3.37Å; F138-V216 HydrophobicContact CG-CG2 4.17Å; F138-V216 HydrophobicContact CZ-CG2 4.25Å
139K84.6Confident90.8Very high144 Ų14459.2 Ų59.263%0.62629%0.289SS*.G310 helixtrans-59.9-27.6175.2-71.7179.7-179.3174.60113H137 N141 L212H137-K139 PolarHBondContact O-N 2.95Å; H137-K139 VanDerWaalsContact O-N 3.13Å; K139-N141 VanDerWaalsContact C-N 3.27Å; K139-L212 HydrophobicContact CD-CD2 3.86Å; K139-L212 HydrophobicContact CG-CD2 3.4Å; K139-L212 VanDerWaalsContact CG-CD2 3.4Å
140E88.4Confident90.9Very high112 Ų11256.8 Ų56.852%0.52328%0.278SS..G310 helixtrans-91.212.2175.6-61.1178.1-156.600112H137 F138 K142H137-E140 PolarHBondContact O-N 3.32Å; F138-E140 PolarHBondContact O-N 2.96Å; E140-K142 HydrophobicContact CB-CD 4.11Å; E140-K142 HydrophobicContact CB-CG 4.17Å; E140-K142 PolarHBondContact O-N 3.5Å; E140-K142 WeakPolarHBondContact OE2-CE 3.41Å; E140-K142 IonicContact OE2-NZ 3.39Å; E140-K142 PolarHBondContact OE2-NZ 3.13Å
141N82.3Confident91Very high115 Ų11559.9 Ų59.962%0.61529%0.294SS*.THydrogen-bonded Turntrans55.526.2-169.1-61.8-37.3000113.4F138 K139F138-N141 WeakPolarHBondContact O-CA 3.3Å; F138-N141 PolarHBondContact O-N 2.88Å; K139-N141 VanDerWaalsContact C-N 3.27Å
142K88.2Confident91Very high124 Ų12461.3 Ų61.354%0.53930%0.301SS..  trans-104.4121.5176.4-66.2174.3-172163.20109.4H137 F138 E140H137-K142 CarbonylContact C-O 3.6Å; H137-K142 HydrophobicContact CB-CB 4.04Å; H137-K142 PolarHBondContact O-N 2.81Å; H137-K142 VanDerWaalsContact O-O 3.14Å; F138-K142 PolarHBondContact N-O 3.25Å; E140-K142 HydrophobicContact CB-CD 4.11Å; E140-K142 HydrophobicContact CB-CG 4.17Å; E140-K142 PolarHBondContact O-N 3.5Å; E140-K142 WeakPolarHBondContact OE2-CE 3.41Å; E140-K142 IonicContact OE2-NZ 3.39Å; E140-K142 PolarHBondContact OE2-NZ 3.13Å
143I90.3Very high91.1Very high35 Ų3563.1 Ų63.118%0.17931%0.312CS..  trans-127.6142.5175.461.6166.5000109.2L135 F138 L145 F180 M219L135-I143 HydrophobicContact CD2-CB 4.2Å; L135-I143 HydrophobicContact CD2-CG2 3.6Å; F138-I143 HydrophobicContact CB-CG2 4.49Å; I143-L145 HydrophobicContact CD1-CD1 4.32Å; I143-F180 HydrophobicContact CD1-CD2 4.28Å; I143-M219 HydrophobicContact CD1-CE 3.8Å; I143-M219 HydrophobicContact CG1-CE 4.26Å; I143-M219 HydrophobicContact CG2-CE 4.09Å
144G91.9Very high91.2Very high34 Ų3468.7 Ų68.735%0.35134%0.34SS..EExtended strand (participates in β ladder)trans-108135.9170.400000109.8G133 D134G133-G144 CarbonylContact C-O 3.57Å; G133-G144 VanDerWaalsContact CA-O 3.27Å; G133-G144 WeakPolarHBondContact CA-O 3.41Å; D134-G144 PolarHBondContact N-O 2.91Å; D134-G144 PolarHBondContact O-N 2.97Å
145L93.5Very high91.3Very high22 Ų2271.7 Ų71.712%0.11536%0.356CS..EExtended strand (participates in β ladder)trans-130.8143.8174.7-67.9173.1000109.9C131 I143 F180 V193 L195C131-L145 HydrophobicContact CB-CD2 4.38Å; I143-L145 HydrophobicContact CD1-CD1 4.32Å; L145-F180 HydrophobicContact CB-CE2 4.38Å; L145-F180 HydrophobicContact CD1-CB 3.83Å; L145-F180 HydrophobicContact CD1-CD1 4.46Å; L145-F180 HydrophobicContact CD1-CD2 3.56Å; L145-F180 HydrophobicContact CD1-CE2 4.19Å; L145-F180 HydrophobicContact CD1-CG 3.71Å; L145-F180 HydrophobicContact CG-CD2 4.26Å; L145-F180 HydrophobicContact CG-CE2 4.43Å; L145-V193 HydrophobicContact CD1-CB 4.47Å; L145-V193 HydrophobicContact CD1-CG1 4.36Å; L145-L195 HydrophobicContact CD2-CD1 3.64Å
146R94Very high91.6Very high101 Ų10170.5 Ų70.538%0.38135%0.35SS..EExtended strand (participates in β ladder)trans-144.1152.9171.667.7178.1-178.4105.90.6111.2I132 E152I132-R146 HydrophobicContact CB-CG 4.28Å; I132-R146 PolarHBondContact N-O 3.41Å; I132-R146 PolarHBondContact O-N 2.74Å; R146-E152 IonicContact CZ-OE1 3.85Å; R146-E152 IonicContact NH2-OE1 3.72Å; R146-E152 PolarHBondContact NH2-OE1 3.48Å
147W95.7Very high91.9Very high27 Ų2768.7 Ų68.710%0.10233%0.334CS..EExtended strand (participates in β ladder)trans-70.9155.6171.3-60.4115.2000111.7F103 L104 L126 K128 C131 V193F103-W147 AromaticContact CE1-CZ2 3.92Å; F103-W147 HydrophobicContact CE1-CZ2 3.92Å; F103-W147 HydrophobicContact CE2-CZ2 4.43Å; F103-W147 AromaticContact CE2-NE1 3.76Å; F103-W147 AromaticContact CZ-CE2 3.86Å; F103-W147 AromaticContact CZ-CZ2 3.72Å; F103-W147 HydrophobicContact CZ-CZ2 3.72Å; F103-W147 AromaticContact CZ-NE1 3.91Å; F103-W147 PolarHBondContact O-NE1 3.12Å; L104-W147 HydrophobicContact CD2-CZ2 3.9Å; L126-W147 HydrophobicContact CB-CB 3.92Å; L126-W147 HydrophobicContact CD1-CB 4.11Å; L126-W147 HydrophobicContact CD2-CB 4.49Å; L126-W147 HydrophobicContact CG-CB 4.4Å; K128-W147 HydrophobicContact CB-CD2 4.5Å; K128-W147 HydrophobicContact CB-CE3 4.07Å; K128-W147 HydrophobicContact CB-CH2 4.43Å; K128-W147 HydrophobicContact CB-CZ3 4.03Å; K128-W147 HydrophobicContact CG-CD2 3.99Å; K128-W147 HydrophobicContact CG-CE3 4.05Å; K128-W147 HydrophobicContact CG-CG 4.4Å; K128-W147 HydrophobicContact CG-CZ3 4.39Å; K128-W147 VanDerWaalsContact O-CZ3 3.25Å; K128-W147 WeakPolarHBondContact O-CZ3 3.09Å; C131-W147 WeakPolarHBondContact SG-CZ3 3.32Å; W147-V193 HydrophobicContact CH2-CG1 4.44Å
148R95.6Very high92Very high7 Ų763.3 Ų63.33%0.02631%0.309CS..EExtended strand (participates in β ladder)trans-76.8142.3179.5-69.8-175.5-51.1164.57.8111.1Y127 Y130 I132 V153 K157Y127-R148 PolarHBondContact N-O 2.97Å; Y127-R148 PolarHBondContact O-N 3.16Å; Y130-R148 WeakPolarHBondContact O-CG 3.36Å; Y130-R148 PolarHBondContact O-NE 2.99Å; I132-R148 HydrophobicContact CD1-CG 3.85Å; I132-R148 HydrophobicContact CG1-CG 3.87Å; R148-V153 HydrophobicContact CB-CG2 4Å; R148-K157 WeakPolarHBondContact CD-O 3.49Å; R148-K157 PolarHBondContact NH1-O 2.85Å
149I95.7Very high92.3Very high57 Ų5764.3 Ų64.329%0.29232%0.315SS..PPolyproline II helixtrans-89.9161.3167.659.7166000109.8L126 Q151 E152 V153L126-I149 HydrophobicContact CD2-CG2 3.77Å; I149-Q151 VanDerWaalsContact C-N 3.32Å; I149-Q151 HydrophobicContact CD1-CB 4.16Å; I149-Q151 PolarHBondContact O-N 3.24Å; I149-E152 HydrophobicContact CD1-CG 3.99Å; I149-E152 HydrophobicContact CG1-CB 4.04Å; I149-E152 HydrophobicContact CG1-CG 3.36Å; I149-E152 WeakPolarHBondContact O-CB 3.46Å; I149-E152 PolarHBondContact O-N 3.15Å; I149-E152 VanDerWaalsContact O-N 3.1Å; I149-V153 PolarHBondContact O-N 3.11Å
150E95.7Very high92.7Very high77 Ų7764 Ų6436%0.3631%0.313SS..Hα-helixtrans-48.3-47.8178.1-174.5177.8-167.600113.9K125 Y127 E152 V153 I154K125-E150 VanDerWaalsContact CE-OE2 3.28Å; K125-E150 WeakPolarHBondContact CE-OE2 3.3Å; K125-E150 IonicContact NZ-OE2 2.73Å; Y127-E150 HydrophobicContact CE2-CB 3.94Å; Y127-E150 HydrophobicContact CE2-CG 4.38Å; E150-E152 VanDerWaalsContact C-N 3.35Å; E150-E152 PolarHBondContact O-N 3.04Å; E150-V153 WeakPolarHBondContact O-CB 3.46Å; E150-V153 PolarHBondContact O-N 3.17Å; E150-V153 VanDerWaalsContact O-N 3.11Å; E150-I154 HydrophobicContact CG-CD1 4.24Å; E150-I154 WeakPolarHBondContact O-CG1 3.32Å; E150-I154 PolarHBondContact O-N 3.43Å
151Q95.8Very high92.9Very high110 Ų11059.9 Ų59.951%0.51430%0.295SS..Hα-helixtrans-60.6-42.5180-61.9-61-39.100112.3I149 V153 I154 D155I149-Q151 VanDerWaalsContact C-N 3.32Å; I149-Q151 HydrophobicContact CD1-CB 4.16Å; I149-Q151 PolarHBondContact O-N 3.24Å; Q151-V153 VanDerWaalsContact C-N 3.25Å; Q151-V153 PolarHBondContact O-N 2.86Å; Q151-I154 WeakPolarHBondContact O-CB 3.33Å; Q151-I154 PolarHBondContact O-N 3.1Å; Q151-D155 VanDerWaalsContact O-CG 3.28Å; Q151-D155 PolarHBondContact O-N 3.33Å
152E95.1Very high93.4Very high30 Ų3054.4 Ų54.414%0.1427%0.266CS..Hα-helixtrans-67.3-28.6178.6-61.1-91.2-15100112I132 R146 I149 E150 G156 K157I132-E152 HydrophobicContact CD1-CB 4.18Å; I132-E152 HydrophobicContact CD1-CG 4.04Å; R146-E152 IonicContact CZ-OE1 3.85Å; R146-E152 IonicContact NH2-OE1 3.72Å; R146-E152 PolarHBondContact NH2-OE1 3.48Å; I149-E152 HydrophobicContact CD1-CG 3.99Å; I149-E152 HydrophobicContact CG1-CB 4.04Å; I149-E152 HydrophobicContact CG1-CG 3.36Å; I149-E152 WeakPolarHBondContact O-CB 3.46Å; I149-E152 PolarHBondContact O-N 3.15Å; I149-E152 VanDerWaalsContact O-N 3.1Å; E150-E152 VanDerWaalsContact C-N 3.35Å; E150-E152 PolarHBondContact O-N 3.04Å; E152-G156 PolarHBondContact O-N 3.47Å; E152-G156 VanDerWaalsContact O-N 3.15Å; E152-K157 HydrophobicContact CB-CB 4.31Å; E152-K157 PolarHBondContact O-N 3.41Å; E152-K157 WeakPolarHBondContact OE2-CB 3.43Å; E152-K157 WeakPolarHBondContact OE2-CD 3.42Å
153V94.6Very high93.6Very high40 Ų4048.5 Ų48.524%0.24224%0.24CC..Hα-helixtrans-71.7-42174.6178.40000110.5Y127 R148 I149 E150 Q151 D155 G156Y127-V153 HydrophobicContact CD1-CG2 4.33Å; Y127-V153 HydrophobicContact CD2-CB 4.49Å; Y127-V153 HydrophobicContact CD2-CG2 3.61Å; Y127-V153 HydrophobicContact CE2-CG2 4.24Å; Y127-V153 HydrophobicContact CG-CG2 3.67Å; R148-V153 HydrophobicContact CB-CG2 4Å; I149-V153 PolarHBondContact O-N 3.11Å; E150-V153 WeakPolarHBondContact O-CB 3.46Å; E150-V153 PolarHBondContact O-N 3.17Å; E150-V153 VanDerWaalsContact O-N 3.11Å; Q151-V153 VanDerWaalsContact C-N 3.25Å; Q151-V153 PolarHBondContact O-N 2.86Å; V153-D155 VanDerWaalsContact C-N 3.33Å; V153-G156 PolarHBondContact O-N 3.46Å; V153-G156 VanDerWaalsContact O-N 3.1Å
154I95.5Very high93.7Very high119 Ų11947.9 Ų47.961%0.6124%0.236SC*.Hα-helixtrans-61.8-43.8175.2-64.7166.2000110.4E150 Q151 G156E150-I154 HydrophobicContact CG-CD1 4.24Å; E150-I154 WeakPolarHBondContact O-CG1 3.32Å; E150-I154 PolarHBondContact O-N 3.43Å; Q151-I154 WeakPolarHBondContact O-CB 3.33Å; Q151-I154 PolarHBondContact O-N 3.1Å; I154-G156 PolarHBondContact O-N 3.23Å
155D94.8Very high93.7Very high104 Ų10450.9 Ų50.956%0.55624%0.24SC*.THydrogen-bonded Turntrans-68.5-15.9176.8-66.2-22000113Q151 V153 I161Q151-D155 VanDerWaalsContact O-CG 3.28Å; Q151-D155 PolarHBondContact O-N 3.33Å; V153-D155 VanDerWaalsContact C-N 3.33Å; D155-I161 WeakPolarHBondContact O-CD1 3.31Å
156G93.6Very high93.5Very high2 Ų255.6 Ų55.62%0.02126%0.261CS..THydrogen-bonded Turntrans8017.6-178.600000114.5E152 V153 I154 Q159 F160 I161E152-G156 PolarHBondContact O-N 3.47Å; E152-G156 VanDerWaalsContact O-N 3.15Å; V153-G156 PolarHBondContact O-N 3.46Å; V153-G156 VanDerWaalsContact O-N 3.1Å; I154-G156 PolarHBondContact O-N 3.23Å; G156-Q159 PolarHBondContact O-N 2.87Å; G156-Q159 VanDerWaalsContact O-N 3.17Å; G156-F160 PolarHBondContact O-N 3Å; G156-I161 PolarHBondContact O-N 3.37Å
157K93.3Very high93.3Very high26 Ų2651.6 Ų51.611%0.11325%0.248CC..BIsolated β-bridgetrans-66.7133.8178.4-159.9175.1-171.7166.70111.7I132 R148 E152 Q159 K165I132-K157 HydrophobicContact CD1-CD 3.99Å; I132-K157 HydrophobicContact CD1-CG 4.29Å; R148-K157 WeakPolarHBondContact CD-O 3.49Å; R148-K157 PolarHBondContact NH1-O 2.85Å; E152-K157 HydrophobicContact CB-CB 4.31Å; E152-K157 PolarHBondContact O-N 3.41Å; E152-K157 WeakPolarHBondContact OE2-CB 3.43Å; E152-K157 WeakPolarHBondContact OE2-CD 3.42Å; K157-Q159 PolarHBondContact O-N 3.17Å; K157-K165 PolarHBondContact NZ-O 3.06Å
158G90.6Very high93Very high0 Ų056.2 Ų56.20%028%0.275CS..THydrogen-bonded Turntrans752.3-17400000115I161 R196G158-I161 CarbonylContact C-O 3.57Å; G158-I161 VanDerWaalsContact CA-O 3.22Å; G158-I161 WeakPolarHBondContact CA-O 3.45Å; G158-I161 PolarHBondContact N-O 3.46Å; G158-R196 WeakPolarHBondContact O-CB 3.28Å; G158-R196 WeakPolarHBondContact O-CD 3.44Å
159Q88.9Confident92.7Very high64 Ų6458.4 Ų58.430%0.29929%0.292SS..THydrogen-bonded Turntrans-124.8-57.4174.7-179.5171.4-4.700112G156 K157 I161 R196G156-Q159 PolarHBondContact O-N 2.87Å; G156-Q159 VanDerWaalsContact O-N 3.17Å; K157-Q159 PolarHBondContact O-N 3.17Å; Q159-I161 PolarHBondContact N-O 2.98Å; Q159-R196 VanDerWaalsContact O-CD 3.25Å; Q159-R196 WeakPolarHBondContact O-CD 3.49Å; Q159-R196 PolarHBondContact O-NE 3.37Å; Q159-R196 PolarHBondContact O-NH1 2.85Å
160F92.9Very high92.5Very high137 Ų13762.9 Ų62.960%0.60131%0.309SS*.THydrogen-bonded Turntrans-101.5-17.7175.3-55.8-57.1000112.3G156 L173G156-F160 PolarHBondContact O-N 3Å; F160-L173 WeakPolarHBondContact O-CD1 3.31Å
161I93.7Very high92.1Very high27 Ų2766.6 Ų66.614%0.13833%0.326CS..BIsolated β-bridgetrans-118150.2173.7-53.1166.1000107.6D155 G156 G158 Q159 G163 K170D155-I161 WeakPolarHBondContact O-CD1 3.31Å; G156-I161 PolarHBondContact O-N 3.37Å; G158-I161 CarbonylContact C-O 3.57Å; G158-I161 VanDerWaalsContact CA-O 3.22Å; G158-I161 WeakPolarHBondContact CA-O 3.45Å; G158-I161 PolarHBondContact N-O 3.46Å; Q159-I161 PolarHBondContact N-O 2.98Å; I161-G163 PolarHBondContact O-N 3.16Å; I161-K170 HydrophobicContact CG1-CG 4.06Å
162C93Very high91.8Very high0 Ų066.4 Ų66.40%033%0.329CS..  trans-48.2135173-170.30000111.9E164 C167 S169 L173C162-E164 PolarHBondContact O-N 3.19Å; C162-C167 HydrophobicContact CB-CB 3.88Å; C162-C167 VanDerWaalsContact CB-SG 3.58Å; C162-C167 VanDerWaalsContact SG-SG 3.64Å; C162-S169 PolarHBondContact N-O 2.85Å; C162-L173 HydrophobicContact CB-CD2 3.99Å
163G92.2Very high91.5Very high0 Ų066.5 Ų66.50%033%0.33CS..SBendtrans-80.70.9177.500000113.8I132 G133 I161 R196I132-G163 CarbonylContact C-O 3.12Å; I132-G163 VanDerWaalsContact CA-O 3.23Å; I132-G163 WeakPolarHBondContact CA-O 3.22Å; I132-G163 WeakPolarHBondContact CG2-O 3.43Å; G133-G163 PolarHBondContact N-O 2.92Å; I161-G163 PolarHBondContact O-N 3.16Å; G163-R196 VanDerWaalsContact CA-O 3.29Å; G163-R196 WeakPolarHBondContact CA-O 3.32Å; G163-R196 PolarHBondContact N-O 3.48Å
164E91.9Very high91.3Very high22 Ų2265.6 Ų65.610%0.10333%0.327CS..BIsolated β-bridgetrans-76.4131.7169.917756.9-148.100109.9G133 D134 L135 C162 H166 C167G133-E164 CarbonylContact O-C 3.5Å; G133-E164 WeakPolarHBondContact O-CA 3.1Å; D134-E164 WeakPolarHBondContact CA-OE1 3.13Å; L135-E164 VanDerWaalsContact CB-OE2 3.29Å; L135-E164 WeakPolarHBondContact CB-OE2 3.32Å; L135-E164 VanDerWaalsContact CD1-OE2 3.3Å; L135-E164 WeakPolarHBondContact CD1-OE2 3.42Å; L135-E164 WeakPolarHBondContact CG-OE2 3.48Å; L135-E164 PolarHBondContact N-OE1 3.09Å; L135-E164 PolarHBondContact N-OE2 3.4Å; C162-E164 PolarHBondContact O-N 3.19Å; E164-H166 PolarHBondContact O-N 3.32Å; E164-H166 VanDerWaalsContact O-N 3.1Å; E164-C167 HydrophobicContact CB-CB 3.75Å; E164-C167 HydrophobicContact CG-CB 4.05Å; E164-C167 PolarHBondContact O-N 3.46Å
165K90.9Very high91.1Very high97 Ų9761.5 Ų61.542%0.42231%0.309SS..THydrogen-bonded Turntrans-51.1-41.6-172.4177.2-178.3165.1-165.80113.2I132 G133 D134 K157I132-K165 HydrophobicContact CG2-CB 4.4Å; G133-K165 WeakPolarHBondContact O-CB 3.44Å; G133-K165 PolarHBondContact O-N 2.93Å; D134-K165 HydrophobicContact CB-CB 4.49Å; D134-K165 HydrophobicContact CB-CD 4.27Å; D134-K165 WeakPolarHBondContact OD2-CD 3.38Å; D134-K165 IonicContact OD2-NZ 2.73Å; D134-K165 PolarHBondContact OD2-NZ 3.34Å; K157-K165 PolarHBondContact NZ-O 3.06Å
166H89.8Confident90.9Very high120 Ų12057.3 Ų57.356%0.55629%0.285SS*.THydrogen-bonded Turntrans-97.51.4-175.9-55.397.4000114D134 S136 E164D134-H166 IonicContact OD1-CE1 3.67Å; D134-H166 IonicContact OD1-ND1 3.73Å; D134-H166 IonicContact OD2-CE1 3.18Å; S136-H166 PolarHBondContact OG-CE1 3Å; E164-H166 PolarHBondContact O-N 3.32Å; E164-H166 VanDerWaalsContact O-N 3.1Å
167C89.3Confident90.9Very high18 Ų1859.4 Ų59.412%0.12230%0.295CS..  trans-108129.8-178-172.80000110.9C162 E164 S169C162-C167 HydrophobicContact CB-CB 3.88Å; C162-C167 VanDerWaalsContact CB-SG 3.58Å; C162-C167 VanDerWaalsContact SG-SG 3.64Å; E164-C167 HydrophobicContact CB-CB 3.75Å; E164-C167 HydrophobicContact CG-CB 4.05Å; E164-C167 PolarHBondContact O-N 3.46Å; C167-S169 PolarHBondContact SG-OG 3.46Å; C167-S169 VanDerWaalsContact SG-OG 3.41Å
168N89.6Confident90.6Very high123 Ų12358.2 Ų58.266%0.65829%0.289SS*.  trans-114.816.8178.3-68.1-22.6000112.9
169S89.9Confident90.6Very high54 Ų5464.2 Ų64.238%0.37832%0.316SS..  trans-64.9138176.8-56.70000111.1C162 C167C162-S169 PolarHBondContact N-O 2.85Å; C167-S169 PolarHBondContact SG-OG 3.46Å; C167-S169 VanDerWaalsContact SG-OG 3.41Å
170K91Very high90.8Very high151 Ų15162.5 Ų62.566%0.65731%0.307SS*.  trans-108.2-15.5179.2-66179.2178.3-179.20113.3I161I161-K170 HydrophobicContact CG1-CG 4.06Å
171E88.5Confident90.7Very high155 Ų15561 Ų6172%0.72431%0.305SS*.SBendtrans-96.8154.2-174.7-63.1175.4-176.600111.1L173E171-L173 VanDerWaalsContact C-N 3.32Å; E171-L173 PolarHBondContact O-N 2.99Å
172D88Confident90.6Very high106 Ų10661.3 Ų61.357%0.56731%0.305SS*.SBendtrans5239.9176.8-60.7-33.2000115.3F198 V199D172-F198 CarbonylContact O-C 3.54Å; D172-F198 WeakPolarHBondContact O-CA 2.88Å; D172-V199 PolarHBondContact O-N 3.08Å
173L89.9Confident90.6Very high31 Ų3166.1 Ų66.116%0.16233%0.334CS..EExtended strand (participates in β ladder)trans-78.4125.5179-63.1172000112F160 C162 E171 R196 F198F160-L173 WeakPolarHBondContact O-CD1 3.31Å; C162-L173 HydrophobicContact CB-CD2 3.99Å; E171-L173 VanDerWaalsContact C-N 3.32Å; E171-L173 PolarHBondContact O-N 2.99Å; L173-R196 HydrophobicContact CB-CG 4.19Å; L173-F198 HydrophobicContact CD2-CB 4.33Å
174A90.9Very high90.5Very high22 Ų2267.1 Ų67.118%0.18234%0.339CS..EExtended strand (participates in β ladder)trans-114.715316500000112.3R196 K197 V199A174-R196 CarbonylContact O-C 3.56Å; A174-R196 WeakPolarHBondContact O-CA 3.44Å; A174-R196 WeakPolarHBondContact O-CG 3.41Å; A174-K197 PolarHBondContact N-O 3.24Å; A174-K197 PolarHBondContact O-N 2.76Å; A174-V199 HydrophobicContact CB-CG2 3.12Å
175S91.4Very high90.3Very high33 Ų3372.6 Ų72.623%0.23137%0.369CS..EExtended strand (participates in β ladder)trans-91.8131.2175.2-63.20000109.6A223S175-A223 PolarHBondContact O-N 2.73Å
176W90.7Very high90.4Very high15 Ų1571.3 Ų71.36%0.05738%0.383CS..EExtended strand (participates in β ladder)trans-124.7139.6-179.1-59.280.5000109.7K194 L195 K197 V199 F220 K221 E222W176-K194 CarbonylContact O-C 3.56Å; W176-K194 WeakPolarHBondContact O-CA 3.29Å; W176-L195 PolarHBondContact N-O 3.3Å; W176-L195 PolarHBondContact O-N 3.15Å; W176-K197 VanDerWaalsContact CE2-CE 3.42Å; W176-K197 HydrophobicContact CG-CG 4.31Å; W176-V199 HydrophobicContact CZ2-CG2 4.32Å; W176-F220 HydrophobicContact CB-CB 3.98Å; W176-F220 HydrophobicContact CB-CD1 3.63Å; W176-F220 HydrophobicContact CB-CG 4.17Å; W176-F220 HydrophobicContact CD2-CB 4.02Å; W176-F220 HydrophobicContact CE3-CB 3.57Å; W176-F220 HydrophobicContact CG-CB 4.21Å; W176-F220 HydrophobicContact CG-CD1 4.35Å; W176-F220 HydrophobicContact CZ3-CB 4.38Å; W176-K221 CarbonylContact C-O 3.5Å; W176-K221 WeakPolarHBondContact CA-O 3.46Å; W176-E222 HydrophobicContact CD2-CG 4.32Å; W176-E222 HydrophobicContact CE3-CG 3.71Å; W176-E222 HydrophobicContact CH2-CG 3.62Å; W176-E222 WeakPolarHBondContact CH2-OE1 3.43Å; W176-E222 HydrophobicContact CZ2-CG 4.23Å; W176-E222 HydrophobicContact CZ3-CB 4.49Å; W176-E222 HydrophobicContact CZ3-CG 3.34Å
177E91.8Very high90.5Very high47 Ų4771.5 Ų71.522%0.2238%0.384CS..EExtended strand (participates in β ladder)trans-93.8116.9168.1-74.5-179.5169.600109.6L192 K194 K221 A223E177-L192 HydrophobicContact CB-CD1 4.38Å; E177-L192 HydrophobicContact CB-CD2 4.32Å; E177-L192 HydrophobicContact CB-CG 4.29Å; E177-L192 HydrophobicContact CG-CD2 4.21Å; E177-L192 WeakPolarHBondContact OE2-CD2 3.34Å; E177-K194 HydrophobicContact CG-CG 4.05Å; E177-K194 WeakPolarHBondContact OE1-CE 3.5Å; E177-K221 PolarHBondContact N-O 2.93Å; E177-K221 PolarHBondContact O-N 3.42Å; E177-A223 HydrophobicContact CG-CB 3.75Å
178C88.5Confident90.8Very high0 Ų079.9 Ų79.90%042%0.419CS..EExtended strand (participates in β ladder)trans-104.2130.6176.8-170.30000109.5F180 V193 F220C178-F180 PolarHBondContact O-N 2.94Å; C178-V193 PolarHBondContact N-O 3.01Å; C178-V193 PolarHBondContact O-N 3.09Å; C178-F220 HydrophobicContact CB-CD1 3.65Å; C178-F220 HydrophobicContact CB-CE1 3.52Å; C178-F220 HydrophobicContact CB-CZ 4.38Å
179K90.6Very high91Very high127 Ų12776 Ų7655%0.55240%0.396SS*.EExtended strand (participates in β ladder)trans-79.5104.2166.6-172.8176.6-178.9178.80108.9S190K179-S190 WeakPolarHBondContact CE-OG 3.19Å; K179-S190 WeakPolarHBondContact CG-OG 3.34Å
180F92Very high91.1Very high27 Ų2776.5 Ų76.512%0.11840%0.399CS..EExtended strand (participates in β ladder)trans-91.9111.7178.3-177.1-123.9000110.6F103 I143 L145 C178 Y182 S190 A191 V193F103-F180 HydrophobicContact CD1-CD1 4.19Å; F103-F180 HydrophobicContact CD1-CE1 4.32Å; F103-F180 HydrophobicContact CD2-CE1 4.1Å; F103-F180 AromaticContact CE1-CD1 3.81Å; F103-F180 HydrophobicContact CE1-CD1 3.81Å; F103-F180 HydrophobicContact CE1-CE1 4.24Å; F103-F180 HydrophobicContact CE2-CD1 4.24Å; F103-F180 HydrophobicContact CE2-CE1 4Å; F103-F180 HydrophobicContact CG-CE1 4.27Å; F103-F180 AromaticContact CZ-CD1 3.84Å; F103-F180 HydrophobicContact CZ-CD1 3.84Å; F103-F180 HydrophobicContact CZ-CE1 4.09Å; I143-F180 HydrophobicContact CD1-CD2 4.28Å; L145-F180 HydrophobicContact CB-CE2 4.38Å; L145-F180 HydrophobicContact CD1-CB 3.83Å; L145-F180 HydrophobicContact CD1-CD1 4.46Å; L145-F180 HydrophobicContact CD1-CD2 3.56Å; L145-F180 HydrophobicContact CD1-CE2 4.19Å; L145-F180 HydrophobicContact CD1-CG 3.71Å; L145-F180 HydrophobicContact CG-CD2 4.26Å; L145-F180 HydrophobicContact CG-CE2 4.43Å; C178-F180 PolarHBondContact O-N 2.94Å; F180-Y182 AromaticContact CD1-CD1 3.46Å; F180-Y182 HydrophobicContact CD1-CD1 3.46Å; F180-Y182 VanDerWaalsContact CD1-CD1 3.46Å; F180-Y182 HydrophobicContact CD1-CE1 4.1Å; F180-Y182 HydrophobicContact CD1-CG 4.19Å; F180-Y182 AromaticContact CE1-CD1 3.55Å; F180-Y182 HydrophobicContact CE1-CD1 3.55Å; F180-Y182 HydrophobicContact CE1-CE1 4.38Å; F180-Y182 AromaticContact CE1-CG 3.8Å; F180-Y182 HydrophobicContact CE1-CG 3.8Å; F180-Y182 HydrophobicContact CG-CD1 4.37Å; F180-Y182 HydrophobicContact CZ-CG 4.5Å; F180-S190 CarbonylContact O-C 3.52Å; F180-S190 WeakPolarHBondContact O-CA 3.25Å; F180-A191 PolarHBondContact N-O 2.83Å; F180-A191 PolarHBondContact O-N 3.04Å; F180-V193 HydrophobicContact CB-CG2 3.98Å
181N92.1Very high91.2Very high105 Ų10569.7 Ų69.756%0.56137%0.372SS*.EExtended strand (participates in β ladder)trans-99.4127.2174-53-66.5000109K189 S190N181-K189 WeakPolarHBondContact CA-O 3.43Å; N181-S190 WeakPolarHBondContact OD1-CB 3.35Å; N181-S190 PolarHBondContact OD1-OG 2.91Å
182Y91.8Very high91.4Very high34 Ų3467.7 Ų67.713%0.13337%0.365CS..EExtended strand (participates in β ladder)trans-140.5163.3-178.461.7-80.9000110.8F103 F180 E184 K189 A191F103-Y182 HydrophobicContact CB-CD2 4.26Å; F103-Y182 HydrophobicContact CB-CE1 4.42Å; F103-Y182 HydrophobicContact CB-CE2 3.71Å; F103-Y182 HydrophobicContact CD1-CD1 4.32Å; F103-Y182 AromaticContact CD1-CE1 3.66Å; F103-Y182 HydrophobicContact CD1-CE1 3.66Å; F103-Y182 HydrophobicContact CD1-CE2 4.47Å; F103-Y182 AromaticContact CD1-CZ 3.75Å; F103-Y182 HydrophobicContact CE1-CE1 4.37Å; F103-Y182 HydrophobicContact CG-CE1 4.29Å; F103-Y182 HydrophobicContact CG-CE2 4.42Å; F180-Y182 AromaticContact CD1-CD1 3.46Å; F180-Y182 HydrophobicContact CD1-CD1 3.46Å; F180-Y182 VanDerWaalsContact CD1-CD1 3.46Å; F180-Y182 HydrophobicContact CD1-CE1 4.1Å; F180-Y182 HydrophobicContact CD1-CG 4.19Å; F180-Y182 AromaticContact CE1-CD1 3.55Å; F180-Y182 HydrophobicContact CE1-CD1 3.55Å; F180-Y182 HydrophobicContact CE1-CE1 4.38Å; F180-Y182 AromaticContact CE1-CG 3.8Å; F180-Y182 HydrophobicContact CE1-CG 3.8Å; F180-Y182 HydrophobicContact CG-CD1 4.37Å; F180-Y182 HydrophobicContact CZ-CG 4.5Å; Y182-E184 HydrophobicContact CD2-CB 4.09Å; Y182-E184 HydrophobicContact CE2-CB 4Å; Y182-K189 HydrophobicContact CD1-CB 4.46Å; Y182-K189 HydrophobicContact CD2-CB 4.26Å; Y182-K189 HydrophobicContact CE1-CB 3.97Å; Y182-K189 HydrophobicContact CE2-CB 3.76Å; Y182-K189 HydrophobicContact CE2-CD 4.07Å; Y182-K189 HydrophobicContact CE2-CG 4.44Å; Y182-K189 PolarHBondContact N-O 3.37Å; Y182-K189 PolarHBondContact O-N 2.86Å; Y182-K189 VanDerWaalsContact O-O 3.09Å; Y182-A191 HydrophobicContact CE1-CB 4.06Å
183V92.4Very high91.6Very high102 Ų10262.8 Ų62.862%0.61834%0.339SS*.EExtended strand (participates in β ladder)trans-112127.1175.4-178.40000108.2E187 K188V183-E187 WeakPolarHBondContact CA-O 3.07Å; V183-K188 HydrophobicContact CG2-CG 4.19Å
184E90.6Very high91.8Very high21 Ų2166 Ų6610%0.09835%0.351CS..EExtended strand (participates in β ladder)trans-137.6129.4179.5-173.6175.7-104.500108.1K102 F103 Y182 G186 E187 K189K102-E184 WeakPolarHBondContact CA-OE1 3.2Å; K102-E184 WeakPolarHBondContact CB-OE1 3.33Å; F103-E184 PolarHBondContact N-OE1 3.27Å; Y182-E184 HydrophobicContact CD2-CB 4.09Å; Y182-E184 HydrophobicContact CE2-CB 4Å; E184-G186 PolarHBondContact O-N 3.5Å; E184-G186 VanDerWaalsContact O-N 3.09Å; E184-E187 PolarHBondContact N-O 3.01Å; E184-E187 PolarHBondContact O-N 2.9Å; E184-K189 HydrophobicContact CB-CD 4.18Å; E184-K189 IonicContact OE2-NZ 2.71Å; E184-K189 PolarHBondContact OE2-NZ 2.77Å
185D88Confident91.9Very high137 Ų13764.9 Ų64.973%0.73334%0.343SS*.THydrogen-bonded Turntrans51.431.3-175.1-57.9-37000114.1E187D185-E187 VanDerWaalsContact C-N 3.26Å; D185-E187 PolarHBondContact O-N 3.02Å
186G91.1Very high91.9Very high70 Ų7066.2 Ų66.272%0.72234%0.343SS*.THydrogen-bonded Turntrans82-5.1-177.900000114.9E184E184-G186 PolarHBondContact O-N 3.5Å; E184-G186 VanDerWaalsContact O-N 3.09Å
187E93.1Very high91.8Very high124 Ų12466.6 Ų66.658%0.57934%0.344SS*.EExtended strand (participates in β ladder)trans-96.5137.8179.7-61.2-175163.400111.7V183 E184 D185 K189V183-E187 WeakPolarHBondContact CA-O 3.07Å; E184-E187 PolarHBondContact N-O 3.01Å; E184-E187 PolarHBondContact O-N 2.9Å; D185-E187 VanDerWaalsContact C-N 3.26Å; D185-E187 PolarHBondContact O-N 3.02Å; E187-K189 PolarHBondContact O-N 2.71Å
188K94.5Very high91.5Very high194 Ų19468.5 Ų68.584%0.84335%0.352SS*.EExtended strand (participates in β ladder)trans-79.8113.1173.8-68.4179.8-178177.50109.4V183V183-K188 HydrophobicContact CG2-CG 4.19Å
189K93.9Very high91.1Very high41 Ų4170 Ų7018%0.17836%0.361CS..EExtended strand (participates in β ladder)trans-110.6154.3177-61.8-176.9-170.31770110.1N181 Y182 E184 E187N181-K189 WeakPolarHBondContact CA-O 3.43Å; Y182-K189 HydrophobicContact CD1-CB 4.46Å; Y182-K189 HydrophobicContact CD2-CB 4.26Å; Y182-K189 HydrophobicContact CE1-CB 3.97Å; Y182-K189 HydrophobicContact CE2-CB 3.76Å; Y182-K189 HydrophobicContact CE2-CD 4.07Å; Y182-K189 HydrophobicContact CE2-CG 4.44Å; Y182-K189 PolarHBondContact N-O 3.37Å; Y182-K189 PolarHBondContact O-N 2.86Å; Y182-K189 VanDerWaalsContact O-O 3.09Å; E184-K189 HydrophobicContact CB-CD 4.18Å; E184-K189 IonicContact OE2-NZ 2.71Å; E184-K189 PolarHBondContact OE2-NZ 2.77Å; E187-K189 PolarHBondContact O-N 2.71Å
190S92.7Very high90.2Very high64 Ų6467.1 Ų67.145%0.44835%0.354SS..EExtended strand (participates in β ladder)trans-132.9135.7175.81740000108.8K179 F180 N181K179-S190 WeakPolarHBondContact CE-OG 3.19Å; K179-S190 WeakPolarHBondContact CG-OG 3.34Å; F180-S190 CarbonylContact O-C 3.52Å; F180-S190 WeakPolarHBondContact O-CA 3.25Å; N181-S190 WeakPolarHBondContact OD1-CB 3.35Å; N181-S190 PolarHBondContact OD1-OG 2.91Å
191A92.3Very high88.5Confident9 Ų971 Ų717%0.07438%0.38CS..EExtended strand (participates in β ladder)trans-130.6144.6174.200000110F103 L104 F180 Y182 V193F103-A191 HydrophobicContact CD1-CB 4.37Å; F103-A191 HydrophobicContact CE1-CB 3.96Å; L104-A191 HydrophobicContact CD1-CB 3.66Å; F180-A191 PolarHBondContact N-O 2.83Å; F180-A191 PolarHBondContact O-N 3.04Å; Y182-A191 HydrophobicContact CE1-CB 4.06Å; A191-V193 HydrophobicContact CB-CG2 4.24Å
192L92.5Very high86.8Confident113 Ų11368 Ų6859%0.59238%0.375SS*.EExtended strand (participates in β ladder)trans-88.3126.7167.8-162.187.7000107.9E177E177-L192 HydrophobicContact CB-CD1 4.38Å; E177-L192 HydrophobicContact CB-CD2 4.32Å; E177-L192 HydrophobicContact CB-CG 4.29Å; E177-L192 HydrophobicContact CG-CD2 4.21Å; E177-L192 WeakPolarHBondContact OE2-CD2 3.34Å
193V93.4Very high84.7Confident2 Ų278 Ų781%0.01241%0.412CS..EExtended strand (participates in β ladder)trans-130.2135.7-172.7178.30000109.4F103 C131 L145 W147 C178 F180 A191F103-V193 HydrophobicContact CE1-CG2 3.97Å; F103-V193 HydrophobicContact CZ-CG2 3.89Å; C131-V193 HydrophobicContact CB-CG1 3.44Å; C131-V193 VanDerWaalsContact CB-CG1 3.44Å; C131-V193 WeakPolarHBondContact SG-CG1 2.9Å; L145-V193 HydrophobicContact CD1-CB 4.47Å; L145-V193 HydrophobicContact CD1-CG1 4.36Å; W147-V193 HydrophobicContact CH2-CG1 4.44Å; C178-V193 PolarHBondContact N-O 3.01Å; C178-V193 PolarHBondContact O-N 3.09Å; F180-V193 HydrophobicContact CB-CG2 3.98Å; A191-V193 HydrophobicContact CB-CG2 4.24Å
194K94.1Very high82.9Confident98 Ų9874.9 Ų74.943%0.42639%0.391SS..EExtended strand (participates in β ladder)trans-88.3128.7175.9-65.7-179.4-179.7-177.10110.6E129 Y130 C131 W176 E177E129-K194 WeakPolarHBondContact O-CB 3.44Å; Y130-K194 HydrophobicContact CD1-CB 4.32Å; C131-K194 PolarHBondContact N-O 3.44Å; W176-K194 CarbonylContact O-C 3.56Å; W176-K194 WeakPolarHBondContact O-CA 3.29Å; E177-K194 HydrophobicContact CG-CG 4.05Å; E177-K194 WeakPolarHBondContact OE1-CE 3.5Å
195L92.3Very high80.9Confident0 Ų079.8 Ų79.80%042%0.423CS..EExtended strand (participates in β ladder)trans-130.6128.9176.2-176.2147.7000108.9L145 W176 K197 F220L145-L195 HydrophobicContact CD2-CD1 3.64Å; W176-L195 PolarHBondContact N-O 3.3Å; W176-L195 PolarHBondContact O-N 3.15Å; L195-K197 HydrophobicContact CD2-CB 3.74Å; L195-K197 HydrophobicContact CD2-CD 4.17Å; L195-K197 HydrophobicContact CD2-CG 3.85Å; L195-F220 HydrophobicContact CB-CE1 4.2Å; L195-F220 HydrophobicContact CD1-CE1 4.32Å; L195-F220 HydrophobicContact CD2-CE1 4.2Å; L195-F220 HydrophobicContact CG-CE1 4.48Å
196R91Very high79.3Confident61 Ų6178.9 Ų78.923%0.2342%0.415CS..EExtended strand (participates in β ladder)trans-99.5120.7176.4-159.4171.6-177.1145.9-5109.6Y130 G158 Q159 G163 L173 A174Y130-R196 HydrophobicContact CD1-CB 4.04Å; Y130-R196 HydrophobicContact CE1-CB 4.19Å; G158-R196 WeakPolarHBondContact O-CB 3.28Å; G158-R196 WeakPolarHBondContact O-CD 3.44Å; Q159-R196 VanDerWaalsContact O-CD 3.25Å; Q159-R196 WeakPolarHBondContact O-CD 3.49Å; Q159-R196 PolarHBondContact O-NE 3.37Å; Q159-R196 PolarHBondContact O-NH1 2.85Å; G163-R196 VanDerWaalsContact CA-O 3.29Å; G163-R196 WeakPolarHBondContact CA-O 3.32Å; G163-R196 PolarHBondContact N-O 3.48Å; L173-R196 HydrophobicContact CB-CG 4.19Å; A174-R196 CarbonylContact O-C 3.56Å; A174-R196 WeakPolarHBondContact O-CA 3.44Å; A174-R196 WeakPolarHBondContact O-CG 3.41Å
197K89.1Confident77.9Confident22 Ų2280.3 Ų80.310%0.09641%0.411CS..EExtended strand (participates in β ladder)trans-136.3159.2177.957.6171-177.3175.90110.3A174 W176 L195 V199A174-K197 PolarHBondContact N-O 3.24Å; A174-K197 PolarHBondContact O-N 2.76Å; W176-K197 VanDerWaalsContact CE2-CE 3.42Å; W176-K197 HydrophobicContact CG-CG 4.31Å; L195-K197 HydrophobicContact CD2-CB 3.74Å; L195-K197 HydrophobicContact CD2-CD 4.17Å; L195-K197 HydrophobicContact CD2-CG 3.85Å; K197-V199 PolarHBondContact O-N 3.37Å
198F86.1Confident76.3Confident87 Ų8777.8 Ų77.838%0.38241%0.407SS..EExtended strand (participates in β ladder)trans-62.9138172.972-77.9000110.3D172 L173 V200D172-F198 CarbonylContact O-C 3.54Å; D172-F198 WeakPolarHBondContact O-CA 2.88Å; L173-F198 HydrophobicContact CD2-CB 4.33Å; F198-V200 HydrophobicContact CD2-CG2 3.84Å; F198-V200 HydrophobicContact CE2-CG2 3.36Å; F198-V200 HydrophobicContact CZ-CG2 4.27Å
199V80.1Confident74.5Confident32 Ų3271.3 Ų71.319%0.19438%0.383CS..  trans-85.5122170.3-174.20000106.6D172 A174 W176 K197 T201D172-V199 PolarHBondContact O-N 3.08Å; A174-V199 HydrophobicContact CB-CG2 3.12Å; W176-V199 HydrophobicContact CZ2-CG2 4.32Å; K197-V199 PolarHBondContact O-N 3.37Å; V199-T201 VanDerWaalsContact C-N 3.28Å; V199-T201 HydrophobicContact CB-CG2 4.12Å; V199-T201 HydrophobicContact CG1-CG2 3.59Å; V199-T201 PolarHBondContact O-N 3.19Å
200V71Confident72.8Confident67 Ų6773.5 Ų73.541%0.40640%0.397SS..  trans-77.689.1165.5-176.40000107.2F198 G202 I204F198-V200 HydrophobicContact CD2-CG2 3.84Å; F198-V200 HydrophobicContact CE2-CG2 3.36Å; F198-V200 HydrophobicContact CZ-CG2 4.27Å; V200-G202 PolarHBondContact O-N 3.37Å; V200-I204 HydrophobicContact CG1-CD1 4.45Å; V200-I204 HydrophobicContact CG1-CG1 4.46Å
201T56.6Low71.1Confident108 Ų10874.5 Ų74.566%0.66340%0.4SS*.  trans-79.157.4170.750.30000109.6V199V199-T201 VanDerWaalsContact C-N 3.28Å; V199-T201 HydrophobicContact CB-CG2 4.12Å; V199-T201 HydrophobicContact CG1-CG2 3.59Å; V199-T201 PolarHBondContact O-N 3.19Å
202G55.6Low69.3Low43 Ų4375.9 Ų75.944%0.44341%0.406SS..SBendtrans-139.4138.3-171.400000112.5V200 I204V200-G202 PolarHBondContact O-N 3.37Å; G202-I204 VanDerWaalsContact C-N 3.28Å; G202-I204 PolarHBondContact O-N 2.89Å
203R49.1Very low67.6Low244 Ų24474.4 Ų74.492%0.92140%0.395SS*.  trans-5787.1172.1-63.2171.1-172.8175.52109.5T205R203-T205 VanDerWaalsContact C-N 3.35Å; R203-T205 PolarHBondContact O-N 3.13Å
204I53.9Low66Low35 Ų3584.2 Ų84.218%0.17943%0.432CS..  trans-7296.2173.6-60.4167.4000106.6V200 G202 Q206 V209 L210 F213V200-I204 HydrophobicContact CG1-CD1 4.45Å; V200-I204 HydrophobicContact CG1-CG1 4.46Å; G202-I204 VanDerWaalsContact C-N 3.28Å; G202-I204 PolarHBondContact O-N 2.89Å; I204-Q206 VanDerWaalsContact C-N 3.27Å; I204-V209 HydrophobicContact CD1-CG1 4.1Å; I204-V209 HydrophobicContact CG1-CG1 4.28Å; I204-V209 HydrophobicContact CG2-CB 3.37Å; I204-V209 HydrophobicContact CG2-CG1 3.48Å; I204-V209 VanDerWaalsContact CG2-CG1 3.48Å; I204-L210 HydrophobicContact CB-CD2 4.01Å; I204-L210 HydrophobicContact CB-CG 4.13Å; I204-L210 HydrophobicContact CG2-CD2 4.3Å; I204-L210 HydrophobicContact CG2-CG 3.9Å; I204-L210 WeakPolarHBondContact O-CD1 3.5Å; I204-L210 WeakPolarHBondContact O-CG 3.25Å; I204-F213 HydrophobicContact CD1-CB 3.92Å; I204-F213 HydrophobicContact CD1-CD2 3.99Å; I204-F213 HydrophobicContact CD1-CG 4.04Å
205T49.4Very low64.5Low124 Ų12482.4 Ų82.476%0.76143%0.426SS*.  trans-81.5-7176.852.80000112.7R203R203-T205 VanDerWaalsContact C-N 3.35Å; R203-T205 PolarHBondContact O-N 3.13Å
206Q53Low63.1Low119 Ų11983.4 Ų83.456%0.55643%0.432SS*.  trans-92.6121.1178.4-65.1-143.5-12.200111.8I204 S208 V209 L210I204-Q206 VanDerWaalsContact C-N 3.27Å; Q206-S208 VanDerWaalsContact C-N 3.27Å; Q206-S208 PolarHBondContact O-N 3.47Å; Q206-V209 HydrophobicContact CB-CB 4.23Å; Q206-V209 HydrophobicContact CB-CG2 3.94Å; Q206-V209 PolarHBondContact O-N 2.93Å; Q206-V209 VanDerWaalsContact O-N 3.09Å; Q206-L210 PolarHBondContact O-N 3.38Å
207P61.8Low61.7Low99 Ų9982.2 Ų82.264%0.64343%0.433SS*.Hα-helixtrans-58.2-36.7-178.8-23.531.8000113.5V209 L210 T211P207-V209 VanDerWaalsContact C-N 3.34Å; P207-V209 PolarHBondContact O-N 2.84Å; P207-L210 PolarHBondContact O-N 3.41Å; P207-T211 PolarHBondContact O-N 2.92Å; P207-T211 PolarHBondContact O-OG1 3.34Å
208S60.2Low60.5Low71 Ų7184.5 Ų84.550%0.49746%0.463SS..Hα-helixtrans-62.3-41.5177.356.90000111.7Q206 L212Q206-S208 VanDerWaalsContact C-N 3.27Å; Q206-S208 PolarHBondContact O-N 3.47Å; S208-L212 VanDerWaalsContact O-CG 3.22Å; S208-L212 WeakPolarHBondContact O-CG 3.35Å; S208-L212 PolarHBondContact O-N 3.49Å; S208-L212 VanDerWaalsContact O-N 3.12Å
209V56.8Low59.5Low58 Ų5883 Ų8335%0.35246%0.458SS..Hα-helixtrans-76.5-29.7179.2-171.60000111.1I204 Q206 P207 L212 F213I204-V209 HydrophobicContact CD1-CG1 4.1Å; I204-V209 HydrophobicContact CG1-CG1 4.28Å; I204-V209 HydrophobicContact CG2-CB 3.37Å; I204-V209 HydrophobicContact CG2-CG1 3.48Å; I204-V209 VanDerWaalsContact CG2-CG1 3.48Å; Q206-V209 HydrophobicContact CB-CB 4.23Å; Q206-V209 HydrophobicContact CB-CG2 3.94Å; Q206-V209 PolarHBondContact O-N 2.93Å; Q206-V209 VanDerWaalsContact O-N 3.09Å; P207-V209 VanDerWaalsContact C-N 3.34Å; P207-V209 PolarHBondContact O-N 2.84Å; V209-L212 WeakPolarHBondContact O-CB 3.42Å; V209-L212 PolarHBondContact O-N 3.06Å; V209-F213 WeakPolarHBondContact O-CB 3.4Å; V209-F213 PolarHBondContact O-N 3.16Å
210L57.7Low58.8Low87 Ų8781.8 Ų81.846%0.45545%0.45SS..Hα-helixtrans-66.1-43.8170.8-80.7169.2000112.3I204 Q206 P207 L212 F213 R214I204-L210 HydrophobicContact CB-CD2 4.01Å; I204-L210 HydrophobicContact CB-CG 4.13Å; I204-L210 HydrophobicContact CG2-CD2 4.3Å; I204-L210 HydrophobicContact CG2-CG 3.9Å; I204-L210 WeakPolarHBondContact O-CD1 3.5Å; I204-L210 WeakPolarHBondContact O-CG 3.25Å; Q206-L210 PolarHBondContact O-N 3.38Å; P207-L210 PolarHBondContact O-N 3.41Å; L210-L212 VanDerWaalsContact C-N 3.3Å; L210-L212 PolarHBondContact O-N 2.93Å; L210-F213 PolarHBondContact O-N 2.8Å; L210-R214 WeakPolarHBondContact O-CB 3.47Å; L210-R214 PolarHBondContact O-N 2.81Å
211T57.2Low58.9Low85 Ų8586.3 Ų86.352%0.52146%0.464SS..Hα-helixtrans-62.5-41.1174.3-57.40000110.6P207 F213 R214 I215P207-T211 PolarHBondContact O-N 2.92Å; P207-T211 PolarHBondContact O-OG1 3.34Å; T211-F213 PolarHBondContact O-N 3.33Å; T211-R214 PolarHBondContact O-N 2.89Å; T211-I215 HydrophobicContact CG2-CD1 4.01Å; T211-I215 VanDerWaalsContact O-CG1 3.32Å; T211-I215 WeakPolarHBondContact O-CG1 3.25Å; T211-I215 PolarHBondContact O-N 3.35Å
212L53.7Low59.4Low38 Ų3887.4 Ų87.420%0.19946%0.462CS..Hα-helixtrans-59.1-45.6173.4-71.1166.9000111.9F138 K139 S208 V209 L210 V216F138-L212 HydrophobicContact CD2-CD2 4.43Å; F138-L212 HydrophobicContact CE1-CD2 4.2Å; F138-L212 HydrophobicContact CE2-CB 3.99Å; F138-L212 HydrophobicContact CE2-CD2 3.32Å; F138-L212 HydrophobicContact CE2-CG 4.23Å; F138-L212 HydrophobicContact CZ-CB 3.96Å; F138-L212 HydrophobicContact CZ-CD1 4.43Å; F138-L212 HydrophobicContact CZ-CD2 3.22Å; F138-L212 HydrophobicContact CZ-CG 4.03Å; K139-L212 HydrophobicContact CD-CD2 3.86Å; K139-L212 HydrophobicContact CG-CD2 3.4Å; K139-L212 VanDerWaalsContact CG-CD2 3.4Å; S208-L212 VanDerWaalsContact O-CG 3.22Å; S208-L212 WeakPolarHBondContact O-CG 3.35Å; S208-L212 PolarHBondContact O-N 3.49Å; S208-L212 VanDerWaalsContact O-N 3.12Å; V209-L212 WeakPolarHBondContact O-CB 3.42Å; V209-L212 PolarHBondContact O-N 3.06Å; L210-L212 VanDerWaalsContact C-N 3.3Å; L210-L212 PolarHBondContact O-N 2.93Å; L212-V216 VanDerWaalsContact O-CG2 3.3Å; L212-V216 WeakPolarHBondContact O-CG2 3.42Å; L212-V216 PolarHBondContact O-N 2.86Å; L212-V216 VanDerWaalsContact O-N 3.13Å
213F58.3Low59.8Low83 Ų8390.1 Ų90.136%0.36448%0.48SS..Hα-helixtrans-64-42176.8-170.4-96.4000111.7I204 V209 L210 T211 V216 S217I204-F213 HydrophobicContact CD1-CB 3.92Å; I204-F213 HydrophobicContact CD1-CD2 3.99Å; I204-F213 HydrophobicContact CD1-CG 4.04Å; V209-F213 WeakPolarHBondContact O-CB 3.4Å; V209-F213 PolarHBondContact O-N 3.16Å; L210-F213 PolarHBondContact O-N 2.8Å; T211-F213 PolarHBondContact O-N 3.33Å; F213-V216 PolarHBondContact O-N 2.8Å; F213-S217 WeakPolarHBondContact CE1-OG 3.36Å; F213-S217 VanDerWaalsContact O-CB 3.29Å; F213-S217 WeakPolarHBondContact O-CB 3.42Å; F213-S217 PolarHBondContact O-N 2.75Å; F213-S217 PolarHBondContact O-OG 3.27Å
214R59.8Low60.4Low208 Ų20882.5 Ų82.579%0.78546%0.458SS*.Hα-helixtrans-65.7-39.6179.5-165.9177.1-173.7133.90.5112.9L210 T211 G218L210-R214 WeakPolarHBondContact O-CB 3.47Å; L210-R214 PolarHBondContact O-N 2.81Å; T211-R214 PolarHBondContact O-N 2.89Å; R214-G218 PolarHBondContact O-N 2.78Å
215I62.9Low60.7Low60 Ų6084.9 Ų84.931%0.30847%0.473SS..Hα-helixtrans-64-48175.8-68.2166.6000109.7T211 G218 M219T211-I215 HydrophobicContact CG2-CD1 4.01Å; T211-I215 VanDerWaalsContact O-CG1 3.32Å; T211-I215 WeakPolarHBondContact O-CG1 3.25Å; T211-I215 PolarHBondContact O-N 3.35Å; I215-G218 PolarHBondContact O-N 3.28Å; I215-M219 WeakPolarHBondContact O-CG 3.49Å; I215-M219 PolarHBondContact O-N 2.87Å
216V60.9Low61.3Low20 Ų2082.8 Ų82.812%0.12146%0.457CS..Hα-helixtrans-64.7-53.71791750000110.2F138 L212 F213 G218 M219 F220F138-V216 HydrophobicContact CD2-CG2 3.32Å; F138-V216 HydrophobicContact CE2-CG2 3.37Å; F138-V216 HydrophobicContact CG-CG2 4.17Å; F138-V216 HydrophobicContact CZ-CG2 4.25Å; L212-V216 VanDerWaalsContact O-CG2 3.3Å; L212-V216 WeakPolarHBondContact O-CG2 3.42Å; L212-V216 PolarHBondContact O-N 2.86Å; L212-V216 VanDerWaalsContact O-N 3.13Å; F213-V216 PolarHBondContact O-N 2.8Å; V216-G218 PolarHBondContact O-N 3.01Å; V216-M219 WeakPolarHBondContact O-CA 3.02Å; V216-M219 WeakPolarHBondContact O-CB 3.47Å; V216-M219 PolarHBondContact O-N 2.7Å; V216-F220 HydrophobicContact CG1-CD2 3.59Å; V216-F220 HydrophobicContact CG1-CE2 3.8Å; V216-F220 WeakPolarHBondContact O-CD2 3.37Å; V216-F220 PolarHBondContact O-N 2.9Å; V216-F220 VanDerWaalsContact O-N 3.13Å
217S62.2Low61.8Low36 Ų3680.6 Ų80.625%0.25245%0.451SS..Hα-helixtrans-60.8-26.7177.5-64.40000113.8F213 M219F213-S217 WeakPolarHBondContact CE1-OG 3.36Å; F213-S217 VanDerWaalsContact O-CB 3.29Å; F213-S217 WeakPolarHBondContact O-CB 3.42Å; F213-S217 PolarHBondContact O-N 2.75Å; F213-S217 PolarHBondContact O-OG 3.27Å; S217-M219 VanDerWaalsContact C-N 3.28Å; S217-M219 PolarHBondContact O-N 3.26Å
218G63.6Low61.8Low70 Ų7079.5 Ų79.572%0.72244%0.439SS*.Hα-helixtrans-68-26.3171.500000113.8R214 I215 V216R214-G218 PolarHBondContact O-N 2.78Å; I215-G218 PolarHBondContact O-N 3.28Å; V216-G218 PolarHBondContact O-N 3.01Å
219M65.5Low61.9Low56 Ų5680.1 Ų80.128%0.27644%0.435SS..Hα-helixtrans-87.8-26.4177.5-65.7-178.870.700113.3I143 I215 V216 S217I143-M219 HydrophobicContact CD1-CE 3.8Å; I143-M219 HydrophobicContact CG1-CE 4.26Å; I143-M219 HydrophobicContact CG2-CE 4.09Å; I215-M219 WeakPolarHBondContact O-CG 3.49Å; I215-M219 PolarHBondContact O-N 2.87Å; V216-M219 WeakPolarHBondContact O-CA 3.02Å; V216-M219 WeakPolarHBondContact O-CB 3.47Å; V216-M219 PolarHBondContact O-N 2.7Å; S217-M219 VanDerWaalsContact C-N 3.28Å; S217-M219 PolarHBondContact O-N 3.26Å
220F66.2Low62.3Low6 Ų681.6 Ų81.63%0.02644%0.441CS..EExtended strand (participates in β ladder)trans-111.8114.7-173.7-72.2-79.8000110.2L135 W176 C178 L195 V216L135-F220 HydrophobicContact CD1-CZ 4.47Å; L135-F220 HydrophobicContact CD2-CE2 4.32Å; L135-F220 HydrophobicContact CD2-CZ 4.14Å; W176-F220 HydrophobicContact CB-CB 3.98Å; W176-F220 HydrophobicContact CB-CD1 3.63Å; W176-F220 HydrophobicContact CB-CG 4.17Å; W176-F220 HydrophobicContact CD2-CB 4.02Å; W176-F220 HydrophobicContact CE3-CB 3.57Å; W176-F220 HydrophobicContact CG-CB 4.21Å; W176-F220 HydrophobicContact CG-CD1 4.35Å; W176-F220 HydrophobicContact CZ3-CB 4.38Å; C178-F220 HydrophobicContact CB-CD1 3.65Å; C178-F220 HydrophobicContact CB-CE1 3.52Å; C178-F220 HydrophobicContact CB-CZ 4.38Å; L195-F220 HydrophobicContact CB-CE1 4.2Å; L195-F220 HydrophobicContact CD1-CE1 4.32Å; L195-F220 HydrophobicContact CD2-CE1 4.2Å; L195-F220 HydrophobicContact CG-CE1 4.48Å; V216-F220 HydrophobicContact CG1-CD2 3.59Å; V216-F220 HydrophobicContact CG1-CE2 3.8Å; V216-F220 WeakPolarHBondContact O-CD2 3.37Å; V216-F220 PolarHBondContact O-N 2.9Å; V216-F220 VanDerWaalsContact O-N 3.13Å
221K71.9Confident62.7Low162 Ų16281.2 Ų81.270%0.70444%0.44SS*.EExtended strand (participates in β ladder)trans-83140.3165.7-68.8-177.1177.4-175.50108.5W176 E177W176-K221 CarbonylContact C-O 3.5Å; W176-K221 WeakPolarHBondContact CA-O 3.46Å; E177-K221 PolarHBondContact N-O 2.93Å; E177-K221 PolarHBondContact O-N 3.42Å
222E68Low63.1Low132 Ų13280.9 Ų80.962%0.61743%0.433SS*.EExtended strand (participates in β ladder)trans-63.6137.3166.3-71.7-176.616000108.5W176W176-E222 HydrophobicContact CD2-CG 4.32Å; W176-E222 HydrophobicContact CE3-CG 3.71Å; W176-E222 HydrophobicContact CH2-CG 3.62Å; W176-E222 WeakPolarHBondContact CH2-OE1 3.43Å; W176-E222 HydrophobicContact CZ2-CG 4.23Å; W176-E222 HydrophobicContact CZ3-CB 4.49Å; W176-E222 HydrophobicContact CZ3-CG 3.34Å
223A64.4Low64Low100 Ų10084.8 Ų84.883%0.82646%0.455SS*.  trans-79.80-178.900000111.6S175 E177S175-A223 PolarHBondContact O-N 2.73Å; E177-A223 HydrophobicContact CG-CB 3.75Å

Retrieved 223 of 223 residues in 1036.2 ms (Link to these results)