A0A087Y5Q5_POEFO Loading...

Cytochrome c oxidase subunit

AlphaFold DB , UniProt , Accession A0A087Y5Q5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 130 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
1M47.9Very low60Low244 Ų244126.4 Ų126.4100%1.20266%0.663SS**  047.60-61.7-154-123.700113.2
2A56.9Low60.7Low85 Ų85124.7 Ų124.770%0.70265%0.654SS**  trans-116.4-9.9-174.100000115.3
3A56Low61.2Low66 Ų66128.8 Ų128.855%0.54566%0.655SS.*SBendtrans-77.2-29.2-17400000113.7G5 R6A3-G5 PolarHBondContact O-N 3.46Å; A3-R6 PolarHBondContact O-N 3.48Å
4F56.7Low61.7Low180 Ų180123.6 Ų123.679%0.78964%0.636SS**Hα-helixtrans-70.7-30-176.2-70.3-78.2000114.1R6 S8F4-R6 VanDerWaalsContact C-N 3.33Å; F4-R6 PolarHBondContact O-N 3.32Å; F4-S8 PolarHBondContact O-N 2.99Å
5G59.5Low62.3Low39 Ų39118.9 Ų118.940%0.40262%0.618SS.*Hα-helixtrans-71.7-24.5178.800000114.2A3 S8 Q9A3-G5 PolarHBondContact O-N 3.46Å; G5-S8 PolarHBondContact O-OG 3.16Å; G5-S8 VanDerWaalsContact O-OG 3.07Å; G5-Q9 WeakPolarHBondContact O-CB 3.42Å; G5-Q9 WeakPolarHBondContact O-CG 3.26Å; G5-Q9 PolarHBondContact O-N 2.97Å; G5-Q9 VanDerWaalsContact O-N 3.16Å
6R62.1Low63Low196 Ų196118.5 Ų118.574%0.7462%0.617SS**Hα-helixtrans-76-36.4177.7-75.7-176.3156-159.4-4.8112.2A3 F4 M10A3-R6 PolarHBondContact O-N 3.48Å; F4-R6 VanDerWaalsContact C-N 3.33Å; F4-R6 PolarHBondContact O-N 3.32Å; R6-M10 WeakPolarHBondContact O-CB 3.39Å; R6-M10 PolarHBondContact O-N 3.01Å
7F61.2Low63.6Low146 Ų146115.9 Ų115.964%0.6461%0.608SS**Hα-helixtrans-69.6-41.8175.6-84.2-81000112Q9 M10 L11F7-Q9 PolarHBondContact O-N 3.25Å; F7-M10 PolarHBondContact O-N 3.49Å; F7-L11 WeakPolarHBondContact O-CG 3.49Å; F7-L11 PolarHBondContact O-N 3.46Å
8S60.9Low64.3Low59 Ų59116.7 Ų116.741%0.41361%0.607SS.*Hα-helixtrans-64.6-40175.367.30000111.9F4 G5 M10 L11 L12F4-S8 PolarHBondContact O-N 2.99Å; G5-S8 PolarHBondContact O-OG 3.16Å; G5-S8 VanDerWaalsContact O-OG 3.07Å; S8-M10 PolarHBondContact O-N 3.07Å; S8-L11 PolarHBondContact O-N 3.38Å; S8-L12 WeakPolarHBondContact O-CB 3.41Å; S8-L12 PolarHBondContact O-N 3.06Å
9Q62Low64.9Low118 Ų118114.5 Ų114.555%0.55160%0.6SS**Hα-helixtrans-64.5-36.3173.3-82.8-169-31.100113.4G5 F7 R13G5-Q9 WeakPolarHBondContact O-CB 3.42Å; G5-Q9 WeakPolarHBondContact O-CG 3.26Å; G5-Q9 PolarHBondContact O-N 2.97Å; G5-Q9 VanDerWaalsContact O-N 3.16Å; F7-Q9 PolarHBondContact O-N 3.25Å; Q9-R13 VanDerWaalsContact O-CB 3.32Å; Q9-R13 WeakPolarHBondContact O-CB 3.42Å; Q9-R13 VanDerWaalsContact O-CG 3.26Å; Q9-R13 WeakPolarHBondContact O-CG 3.44Å; Q9-R13 PolarHBondContact O-N 3.41Å
10M66.3Low65.5Low138 Ų138119 Ų11968%0.6861%0.608SS**Hα-helixtrans-67.5-41.8176-108.2-177.8170.700112.1R6 F7 S8 R13 S14R6-M10 WeakPolarHBondContact O-CB 3.39Å; R6-M10 PolarHBondContact O-N 3.01Å; F7-M10 PolarHBondContact O-N 3.49Å; S8-M10 PolarHBondContact O-N 3.07Å; M10-R13 PolarHBondContact O-N 3.49Å; M10-S14 WeakPolarHBondContact O-CB 3.32Å; M10-S14 PolarHBondContact O-N 3.43Å; M10-S14 PolarHBondContact O-OG 2.89Å
11L70.5Confident66Low119 Ų119122.2 Ų122.262%0.62361%0.613SS**Hα-helixtrans-68-38.8177.3-69.1173.1000112F7 S8 S14 S15F7-L11 WeakPolarHBondContact O-CG 3.49Å; F7-L11 PolarHBondContact O-N 3.46Å; S8-L11 PolarHBondContact O-N 3.38Å; L11-S14 PolarHBondContact O-OG 2.93Å; L11-S15 WeakPolarHBondContact O-CB 3.41Å; L11-S15 PolarHBondContact O-N 2.62Å; L11-S15 PolarHBondContact O-OG 2.97Å
12L68.8Low67.4Low106 Ų106116.9 Ų116.956%0.55559%0.585SS**Hα-helixtrans-66-40.7172.6-91.7148.1000112.2S8 S15 L16S8-L12 WeakPolarHBondContact O-CB 3.41Å; S8-L12 PolarHBondContact O-N 3.06Å; L12-S15 WeakPolarHBondContact CA-OG 3.46Å; L12-S15 PolarHBondContact O-OG 2.87Å; L12-S15 VanDerWaalsContact O-OG 3.06Å; L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 WeakPolarHBondContact O-CD1 3.39Å; L12-L16 WeakPolarHBondContact O-CG 3.33Å; L12-L16 PolarHBondContact O-N 3.05Å
13R66.4Low68.3Low178 Ų178118.5 Ų118.567%0.67258%0.581SS**Hα-helixtrans-67.4-40.9176.3-78.4178.8177.5-140.30.2112.2Q9 M10 T17Q9-R13 VanDerWaalsContact O-CB 3.32Å; Q9-R13 WeakPolarHBondContact O-CB 3.42Å; Q9-R13 VanDerWaalsContact O-CG 3.26Å; Q9-R13 WeakPolarHBondContact O-CG 3.44Å; Q9-R13 PolarHBondContact O-N 3.41Å; M10-R13 PolarHBondContact O-N 3.49Å; R13-T17 WeakPolarHBondContact O-CG2 3.29Å; R13-T17 PolarHBondContact O-N 3.01Å; R13-T17 PolarHBondContact O-OG1 3.12Å; R13-T17 VanDerWaalsContact O-OG1 3.09Å
14S68.9Low69Low56 Ų56118.5 Ų118.539%0.39258%0.581SS.*Hα-helixtrans-66-46.4179.172.10000111.2M10 L11 T17 Q18M10-S14 WeakPolarHBondContact O-CB 3.32Å; M10-S14 PolarHBondContact O-N 3.43Å; M10-S14 PolarHBondContact O-OG 2.89Å; L11-S14 PolarHBondContact O-OG 2.93Å; S14-T17 WeakPolarHBondContact CA-OG1 3.28Å; S14-T17 PolarHBondContact O-N 2.72Å; S14-T17 PolarHBondContact O-OG1 3.08Å; S14-Q18 WeakPolarHBondContact O-CB 3.42Å; S14-Q18 PolarHBondContact O-N 3.09Å
15S71Confident69.5Low53 Ų53112.7 Ų112.737%0.37157%0.566SS.*Hα-helixtrans-61.3-45.8175.744.90000111.8L11 L12 T17 Q18 T19L11-S15 WeakPolarHBondContact O-CB 3.41Å; L11-S15 PolarHBondContact O-N 2.62Å; L11-S15 PolarHBondContact O-OG 2.97Å; L12-S15 WeakPolarHBondContact CA-OG 3.46Å; L12-S15 PolarHBondContact O-OG 2.87Å; L12-S15 VanDerWaalsContact O-OG 3.06Å; S15-T17 PolarHBondContact O-N 2.91Å; S15-Q18 WeakPolarHBondContact O-CB 3.43Å; S15-Q18 PolarHBondContact O-N 3.25Å; S15-Q18 VanDerWaalsContact O-N 3.12Å; S15-T19 PolarHBondContact O-N 2.98Å; S15-T19 PolarHBondContact O-OG1 2.98Å
16L73.2Confident69.7Low113 Ų113113.7 Ų113.759%0.59257%0.571SS**Hα-helixtrans-61.5-39.2175.2-71.3170.9000113.2L12 Q18 R20L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 WeakPolarHBondContact O-CD1 3.39Å; L12-L16 WeakPolarHBondContact O-CG 3.33Å; L12-L16 PolarHBondContact O-N 3.05Å; L16-Q18 VanDerWaalsContact C-N 3.33Å; L16-R20 VanDerWaalsContact O-CB 3.28Å; L16-R20 WeakPolarHBondContact O-CB 3.15Å; L16-R20 PolarHBondContact O-N 3.38Å
17T73.4Confident69.7Low75 Ų75107.8 Ų107.846%0.4656%0.564SS.*Hα-helixtrans-67.3-34.5174.551.70000112.7R13 S14 S15 R21R13-T17 WeakPolarHBondContact O-CG2 3.29Å; R13-T17 PolarHBondContact O-N 3.01Å; R13-T17 PolarHBondContact O-OG1 3.12Å; R13-T17 VanDerWaalsContact O-OG1 3.09Å; S14-T17 WeakPolarHBondContact CA-OG1 3.28Å; S14-T17 PolarHBondContact O-N 2.72Å; S14-T17 PolarHBondContact O-OG1 3.08Å; S15-T17 PolarHBondContact O-N 2.91Å; T17-R21 VanDerWaalsContact O-CG 3.29Å; T17-R21 WeakPolarHBondContact O-CG 3.5Å; T17-R21 PolarHBondContact O-N 2.86Å; T17-R21 VanDerWaalsContact O-N 3.08Å
18Q76.7Confident69.7Low129 Ų129103.4 Ų103.460%0.60356%0.56SS**Hα-helixtrans-69.9-46.1176.5-167.2165.7-39.900110.8S14 S15 L16 R20 R21 Q22S14-Q18 WeakPolarHBondContact O-CB 3.42Å; S14-Q18 PolarHBondContact O-N 3.09Å; S15-Q18 WeakPolarHBondContact O-CB 3.43Å; S15-Q18 PolarHBondContact O-N 3.25Å; S15-Q18 VanDerWaalsContact O-N 3.12Å; L16-Q18 VanDerWaalsContact C-N 3.33Å; Q18-R20 VanDerWaalsContact C-N 3.32Å; Q18-R20 PolarHBondContact O-N 2.96Å; Q18-R21 PolarHBondContact O-N 3.41Å; Q18-Q22 VanDerWaalsContact O-CG 3.32Å; Q18-Q22 WeakPolarHBondContact O-CG 3.36Å; Q18-Q22 PolarHBondContact O-N 3.4Å
19T75.2Confident69.7Low76 Ų76107.9 Ų107.947%0.46657%0.574SS.*Hα-helixtrans-60.8-40.7174.9-43.80000111.6S15 R21 Q22 L23S15-T19 PolarHBondContact O-N 2.98Å; S15-T19 PolarHBondContact O-OG1 2.98Å; T19-R21 VanDerWaalsContact C-N 3.34Å; T19-R21 PolarHBondContact O-N 2.93Å; T19-Q22 PolarHBondContact O-N 3.01Å; T19-L23 HydrophobicContact CG2-CD1 4.29Å; T19-L23 WeakPolarHBondContact O-CG 3.41Å; T19-L23 PolarHBondContact O-N 3.44Å
20R76.1Confident69.6Low203 Ų203103.9 Ų103.977%0.76657%0.565SS**Hα-helixtrans-64.7-36.5177-162.1175.8-167.6154.62.5112.6L16 Q18 A24L16-R20 VanDerWaalsContact O-CB 3.28Å; L16-R20 WeakPolarHBondContact O-CB 3.15Å; L16-R20 PolarHBondContact O-N 3.38Å; Q18-R20 VanDerWaalsContact C-N 3.32Å; Q18-R20 PolarHBondContact O-N 2.96Å; R20-A24 WeakPolarHBondContact O-CB 3.32Å; R20-A24 PolarHBondContact O-N 3.27Å
21R76.7Confident69.6Low188 Ų18899.3 Ų99.371%0.70955%0.552SS**Hα-helixtrans-67.8-41173.4-74.2173.2-177.5178.31.4112T17 Q18 T19 A24 A25T17-R21 VanDerWaalsContact O-CG 3.29Å; T17-R21 WeakPolarHBondContact O-CG 3.5Å; T17-R21 PolarHBondContact O-N 2.86Å; T17-R21 VanDerWaalsContact O-N 3.08Å; Q18-R21 PolarHBondContact O-N 3.41Å; T19-R21 VanDerWaalsContact C-N 3.34Å; T19-R21 PolarHBondContact O-N 2.93Å; R21-A24 PolarHBondContact O-N 3.19Å; R21-A25 WeakPolarHBondContact O-CB 3.37Å; R21-A25 PolarHBondContact O-N 3.45Å
22Q76.7Confident69.7Low132 Ų13298.5 Ų98.562%0.61755%0.549SS*.Hα-helixtrans-63.3-44.2176.2-66.8-67.1-32.200111.6Q18 T19 A25 A26Q18-Q22 VanDerWaalsContact O-CG 3.32Å; Q18-Q22 WeakPolarHBondContact O-CG 3.36Å; Q18-Q22 PolarHBondContact O-N 3.4Å; T19-Q22 PolarHBondContact O-N 3.01Å; Q22-A25 PolarHBondContact O-N 2.93Å; Q22-A26 WeakPolarHBondContact O-CB 3.37Å; Q22-A26 PolarHBondContact O-N 3.41Å
23L75.2Confident70.1Confident119 Ų11995.7 Ų95.762%0.62354%0.538SS*.Hα-helixtrans-66.1-39.4176.3-69.7169.9000112.5T19 A26 A27T19-L23 HydrophobicContact CG2-CD1 4.29Å; T19-L23 WeakPolarHBondContact O-CG 3.41Å; T19-L23 PolarHBondContact O-N 3.44Å; L23-A26 PolarHBondContact O-N 2.94Å; L23-A27 WeakPolarHBondContact O-CB 3.34Å; L23-A27 PolarHBondContact O-N 2.94Å
24A70.9Confident71.1Confident65 Ų6590 Ų9054%0.53753%0.529SS..Hα-helixtrans-66.4-38.6175.200000112.3R20 R21 A27 G28R20-A24 WeakPolarHBondContact O-CB 3.32Å; R20-A24 PolarHBondContact O-N 3.27Å; R21-A24 PolarHBondContact O-N 3.19Å; A24-A27 PolarHBondContact O-N 3.37Å; A24-G28 PolarHBondContact O-N 2.91Å
25A67Low71.9Confident58 Ų5893.7 Ų93.748%0.47954%0.538SS..Hα-helixtrans-66.4-41.3174.700000112R21 Q22 G28 H29R21-A25 WeakPolarHBondContact O-CB 3.37Å; R21-A25 PolarHBondContact O-N 3.45Å; Q22-A25 PolarHBondContact O-N 2.93Å; A25-G28 PolarHBondContact O-N 3Å; A25-H29 PolarHBondContact O-N 3.32Å; A25-H29 VanDerWaalsContact O-N 3.08Å
26A64.3Low72.9Confident61 Ų6194.9 Ų94.950%0.50454%0.543SS..Hα-helixtrans-64.2-39.6173.900000112.2Q22 L23 G28 H29 G30Q22-A26 WeakPolarHBondContact O-CB 3.37Å; Q22-A26 PolarHBondContact O-N 3.41Å; L23-A26 PolarHBondContact O-N 2.94Å; A26-G28 VanDerWaalsContact C-N 3.34Å; A26-G28 PolarHBondContact O-N 3.49Å; A26-H29 PolarHBondContact O-N 3.29Å; A26-G30 PolarHBondContact O-N 3.08Å
27A62.2Low73.8Confident72 Ų7297.3 Ų97.360%0.59555%0.545SS*.Hα-helixtrans-65-36.3174.500000112.5L23 A24 G30 G31L23-A27 WeakPolarHBondContact O-CB 3.34Å; L23-A27 PolarHBondContact O-N 2.94Å; A24-A27 PolarHBondContact O-N 3.37Å; A27-G30 PolarHBondContact O-N 3.29Å; A27-G31 PolarHBondContact O-N 3.44Å
28G60.4Low74.7Confident54 Ų54100.2 Ų100.256%0.55755%0.551SS**Hα-helixtrans-64.6-38172.700000113.5A24 A25 A26A24-G28 PolarHBondContact O-N 2.91Å; A25-G28 PolarHBondContact O-N 3Å; A26-G28 VanDerWaalsContact C-N 3.34Å; A26-G28 PolarHBondContact O-N 3.49Å
29H60.9Low75.6Confident153 Ų15399.2 Ų99.271%0.70855%0.548SS*.Hα-helixtrans-74-25.4173.3-92.962.6000113.6A25 A26 S33A25-H29 PolarHBondContact O-N 3.32Å; A25-H29 VanDerWaalsContact O-N 3.08Å; A26-H29 PolarHBondContact O-N 3.29Å; H29-S33 VanDerWaalsContact O-CB 3.3Å; H29-S33 WeakPolarHBondContact O-CB 3.46Å; H29-S33 PolarHBondContact O-N 2.87Å; H29-S33 PolarHBondContact O-OG 3.07Å
30G60.5Low76.6Confident34 Ų3499.1 Ų99.135%0.35155%0.545SS..Hα-helixtrans-67.4-39.7177.400000113.4A26 A27 S33 A34A26-G30 PolarHBondContact O-N 3.08Å; A27-G30 PolarHBondContact O-N 3.29Å; G30-S33 VanDerWaalsContact CA-OG 3.31Å; G30-S33 WeakPolarHBondContact CA-OG 3.4Å; G30-S33 PolarHBondContact O-OG 3.01Å; G30-A34 WeakPolarHBondContact O-CB 3.31Å; G30-A34 PolarHBondContact O-N 2.92Å
31G66.3Low77.6Confident41 Ų4192.6 Ų92.642%0.42353%0.527SS..Hα-helixtrans-68.6-34.6179.400000113.7A27 K35A27-G31 PolarHBondContact O-N 3.44Å; G31-K35 WeakPolarHBondContact O-CG 3.3Å
32D72.2Confident78.6Confident103 Ų10389.9 Ų89.955%0.55152%0.521SS*.Hα-helixtrans-80-40177.4-15133.6000111.5A34 K35 T36D32-A34 PolarHBondContact O-N 3.01Å; D32-K35 WeakPolarHBondContact O-CB 3.44Å; D32-K35 PolarHBondContact O-N 3.04Å; D32-K35 VanDerWaalsContact O-N 3.11Å; D32-T36 WeakPolarHBondContact O-CG2 3.46Å; D32-T36 PolarHBondContact O-N 3.4Å
33S78.8Confident79.5Confident47 Ų4788.1 Ų88.133%0.32952%0.519SS..Hα-helixtrans-59.9-44.1174.158.30000111.9H29 G30 K35 T36 W37H29-S33 VanDerWaalsContact O-CB 3.3Å; H29-S33 WeakPolarHBondContact O-CB 3.46Å; H29-S33 PolarHBondContact O-N 2.87Å; H29-S33 PolarHBondContact O-OG 3.07Å; G30-S33 VanDerWaalsContact CA-OG 3.31Å; G30-S33 WeakPolarHBondContact CA-OG 3.4Å; G30-S33 PolarHBondContact O-OG 3.01Å; S33-K35 PolarHBondContact O-N 2.67Å; S33-T36 WeakPolarHBondContact CA-OG1 3.35Å; S33-T36 PolarHBondContact O-N 2.96Å; S33-T36 VanDerWaalsContact O-N 3.07Å; S33-T36 PolarHBondContact O-OG1 3.47Å; S33-W37 PolarHBondContact O-N 3.21Å
34A85.7Confident80.6Confident57 Ų5787.7 Ų87.747%0.47152%0.516SS..Hα-helixtrans-57.8-34.717600000113.4G30 D32 K38G30-A34 WeakPolarHBondContact O-CB 3.31Å; G30-A34 PolarHBondContact O-N 2.92Å; D32-A34 PolarHBondContact O-N 3.01Å; A34-K38 WeakPolarHBondContact O-CB 3.5Å; A34-K38 PolarHBondContact O-N 3.11Å; A34-K38 VanDerWaalsContact O-N 3.11Å
35K86.6Confident81.8Confident134 Ų13486.7 Ų86.758%0.58351%0.508SS*.Hα-helixtrans-70.3-44.1174.4-66.9172.9-173.8175.70111.3G31 D32 S33 W37 K38 I39G31-K35 WeakPolarHBondContact O-CG 3.3Å; D32-K35 WeakPolarHBondContact O-CB 3.44Å; D32-K35 PolarHBondContact O-N 3.04Å; D32-K35 VanDerWaalsContact O-N 3.11Å; S33-K35 PolarHBondContact O-N 2.67Å; K35-W37 PolarHBondContact O-N 3.47Å; K35-K38 PolarHBondContact O-N 3.25Å; K35-I39 WeakPolarHBondContact O-CG1 3.47Å; K35-I39 PolarHBondContact O-N 2.93Å
36T91Very high83.3Confident78 Ų7888.4 Ų88.448%0.47951%0.509SS..Hα-helixtrans-59.9-44.5176.962.20000112.2D32 S33 K38 I39 L40D32-T36 WeakPolarHBondContact O-CG2 3.46Å; D32-T36 PolarHBondContact O-N 3.4Å; S33-T36 WeakPolarHBondContact CA-OG1 3.35Å; S33-T36 PolarHBondContact O-N 2.96Å; S33-T36 VanDerWaalsContact O-N 3.07Å; S33-T36 PolarHBondContact O-OG1 3.47Å; T36-K38 PolarHBondContact O-N 3.11Å; T36-I39 PolarHBondContact O-N 2.96Å; T36-L40 WeakPolarHBondContact O-CB 3.32Å; T36-L40 PolarHBondContact O-N 2.99Å
37W92.8Very high84.9Confident165 Ų16588.4 Ų88.463%0.62550%0.503SS*.Hα-helixtrans-65.6-37.6176.6-71.1110.2000112.6S33 K35 L40 T41S33-W37 PolarHBondContact O-N 3.21Å; K35-W37 PolarHBondContact O-N 3.47Å; W37-L40 HydrophobicContact CE3-CD2 4.02Å; W37-L40 HydrophobicContact CZ3-CD2 4Å; W37-L40 PolarHBondContact O-N 2.87Å; W37-T41 WeakPolarHBondContact O-CB 3.36Å; W37-T41 PolarHBondContact O-N 3.33Å; W37-T41 PolarHBondContact O-OG1 3.47Å
38K93.5Very high86.6Confident136 Ų13686.6 Ų86.659%0.59149%0.492SS*.Hα-helixtrans-62.7-48.6174.6-171.3175.8-67179.90110.9A34 K35 T36 L40 T41 F42A34-K38 WeakPolarHBondContact O-CB 3.5Å; A34-K38 PolarHBondContact O-N 3.11Å; A34-K38 VanDerWaalsContact O-N 3.11Å; K35-K38 PolarHBondContact O-N 3.25Å; T36-K38 PolarHBondContact O-N 3.11Å; K38-L40 PolarHBondContact O-N 3.37Å; K38-T41 PolarHBondContact O-N 2.81Å; K38-F42 HydrophobicContact CD-CE2 4.39Å; K38-F42 HydrophobicContact CG-CD2 3.7Å; K38-F42 HydrophobicContact CG-CE2 3.69Å; K38-F42 WeakPolarHBondContact O-CD2 3.43Å; K38-F42 PolarHBondContact O-N 3.28Å
39I95.3Very high88.4Confident108 Ų10888.2 Ų88.255%0.55449%0.491SS*.Hα-helixtrans-60.2-47.3177.6-67.5166.5000110.1K35 T36 T41 F42 V43K35-I39 WeakPolarHBondContact O-CG1 3.47Å; K35-I39 PolarHBondContact O-N 2.93Å; T36-I39 PolarHBondContact O-N 2.96Å; I39-T41 VanDerWaalsContact C-N 3.33Å; I39-T41 PolarHBondContact O-N 3.48Å; I39-F42 PolarHBondContact O-N 3.33Å; I39-V43 HydrophobicContact CG2-CB 4.42Å; I39-V43 HydrophobicContact CG2-CG2 3.95Å; I39-V43 VanDerWaalsContact O-CB 3.22Å; I39-V43 WeakPolarHBondContact O-CB 3.33Å; I39-V43 WeakPolarHBondContact O-CG2 3.22Å; I39-V43 PolarHBondContact O-N 3.04Å
40L96.6Very high90.1Very high74 Ų7483.7 Ų83.739%0.38748%0.48SS..Hα-helixtrans-58-44.7178.9-174.464.3000111.9T36 W37 K38 I44 A45T36-L40 WeakPolarHBondContact O-CB 3.32Å; T36-L40 PolarHBondContact O-N 2.99Å; W37-L40 HydrophobicContact CE3-CD2 4.02Å; W37-L40 HydrophobicContact CZ3-CD2 4Å; W37-L40 PolarHBondContact O-N 2.87Å; K38-L40 PolarHBondContact O-N 3.37Å; L40-I44 HydrophobicContact CD1-CB 3.95Å; L40-I44 HydrophobicContact CD1-CD1 3.4Å; L40-I44 HydrophobicContact CD1-CG1 4.13Å; L40-I44 HydrophobicContact CD1-CG2 4.35Å; L40-I44 WeakPolarHBondContact O-CA 3.35Å; L40-I44 WeakPolarHBondContact O-CB 3.48Å; L40-I44 PolarHBondContact O-N 3.02Å; L40-A45 PolarHBondContact O-N 2.95Å
41T96.3Very high91.9Very high65 Ų6587 Ų8740%0.39949%0.494SS..Iπ-helixtrans-63-47.8177.9-61.20000111.8W37 K38 I39 A45 L46W37-T41 WeakPolarHBondContact O-CB 3.36Å; W37-T41 PolarHBondContact O-N 3.33Å; W37-T41 PolarHBondContact O-OG1 3.47Å; K38-T41 PolarHBondContact O-N 2.81Å; I39-T41 VanDerWaalsContact C-N 3.33Å; I39-T41 PolarHBondContact O-N 3.48Å; T41-A45 WeakPolarHBondContact O-CB 3.18Å; T41-A45 PolarHBondContact O-N 3.31Å; T41-L46 WeakPolarHBondContact O-CG 3.41Å; T41-L46 PolarHBondContact O-N 2.91Å
42F96.8Very high93.4Very high131 Ų13189 Ų8958%0.57550%0.5SS*.Iπ-helixtrans-77.5-33.4-175.6-75.8-71.3000113.9K38 I39 L46 P47K38-F42 HydrophobicContact CD-CE2 4.39Å; K38-F42 HydrophobicContact CG-CD2 3.7Å; K38-F42 HydrophobicContact CG-CE2 3.69Å; K38-F42 WeakPolarHBondContact O-CD2 3.43Å; K38-F42 PolarHBondContact O-N 3.28Å; I39-F42 PolarHBondContact O-N 3.33Å; F42-L46 HydrophobicContact CD1-CD1 3.47Å; F42-L46 VanDerWaalsContact CD1-CD1 3.47Å; F42-L46 HydrophobicContact CE1-CD1 3.85Å; F42-L46 HydrophobicContact CG-CD1 4.4Å; F42-P47 WeakPolarHBondContact O-CD 3.4Å
43V96.8Very high94.6Very high95 Ų9589.9 Ų89.958%0.57650%0.502SS*.Iπ-helixtrans-94.6-28-173.6-179.50000112.2I39 P47I39-V43 HydrophobicContact CG2-CB 4.42Å; I39-V43 HydrophobicContact CG2-CG2 3.95Å; I39-V43 VanDerWaalsContact O-CB 3.22Å; I39-V43 WeakPolarHBondContact O-CB 3.33Å; I39-V43 WeakPolarHBondContact O-CG2 3.22Å; I39-V43 PolarHBondContact O-N 3.04Å; V43-P47 WeakPolarHBondContact O-CG 3.32Å
44I97.2Very high95.5Very high110 Ų11092.5 Ų92.556%0.56451%0.512SS*.Iπ-helixtrans-116.6-54-176.4-65.1170.9000111.1L40 G48L40-I44 HydrophobicContact CD1-CB 3.95Å; L40-I44 HydrophobicContact CD1-CD1 3.4Å; L40-I44 HydrophobicContact CD1-CG1 4.13Å; L40-I44 HydrophobicContact CD1-CG2 4.35Å; L40-I44 WeakPolarHBondContact O-CA 3.35Å; L40-I44 WeakPolarHBondContact O-CB 3.48Å; L40-I44 PolarHBondContact O-N 3.02Å; I44-G48 PolarHBondContact O-N 2.87Å
45A97.8Very high96Very high45 Ų4593.5 Ų93.537%0.37251%0.509SS..Iπ-helixtrans-66.6-48.3-173.100000112.3L40 T41 G48 V49L40-A45 PolarHBondContact O-N 2.95Å; T41-A45 WeakPolarHBondContact O-CB 3.18Å; T41-A45 PolarHBondContact O-N 3.31Å; A45-G48 PolarHBondContact O-N 2.91Å; A45-V49 VanDerWaalsContact O-CG2 3.32Å; A45-V49 WeakPolarHBondContact O-CG2 3.4Å; A45-V49 PolarHBondContact O-N 3.32Å
46L97.8Very high96.3Very high93 Ų9390.9 Ų90.949%0.48751%0.505SS..Hα-helixtrans-63.6-47.1179.7-69.3-178.6000112.7T41 F42 G48 V49 A50T41-L46 WeakPolarHBondContact O-CG 3.41Å; T41-L46 PolarHBondContact O-N 2.91Å; F42-L46 HydrophobicContact CD1-CD1 3.47Å; F42-L46 VanDerWaalsContact CD1-CD1 3.47Å; F42-L46 HydrophobicContact CE1-CD1 3.85Å; F42-L46 HydrophobicContact CG-CD1 4.4Å; L46-G48 VanDerWaalsContact C-N 3.33Å; L46-G48 PolarHBondContact O-N 3.43Å; L46-V49 PolarHBondContact O-N 2.92Å; L46-A50 WeakPolarHBondContact O-CB 3.27Å; L46-A50 PolarHBondContact O-N 3.41Å
47P97.6Very high96.5Very high61 Ų6191.7 Ų91.740%0.39650%0.502SS..Hα-helixtrans-62.7-38.5173.9-27.939.8000112.9F42 V43 A50 V51F42-P47 WeakPolarHBondContact O-CD 3.4Å; V43-P47 WeakPolarHBondContact O-CG 3.32Å; P47-A50 PolarHBondContact O-N 3.07Å; P47-V51 WeakPolarHBondContact O-CG2 3.4Å; P47-V51 PolarHBondContact O-N 3.01Å
48G97.7Very high96.5Very high35 Ų3588.7 Ų88.736%0.36150%0.497SS..Hα-helixtrans-60.3-48.4175.900000112.4I44 A45 L46 A50 V51 C52I44-G48 PolarHBondContact O-N 2.87Å; A45-G48 PolarHBondContact O-N 2.91Å; L46-G48 VanDerWaalsContact C-N 3.33Å; L46-G48 PolarHBondContact O-N 3.43Å; G48-A50 VanDerWaalsContact C-N 3.32Å; G48-A50 PolarHBondContact O-N 3.32Å; G48-V51 PolarHBondContact O-N 3.45Å; G48-C52 PolarHBondContact O-N 3.26Å; G48-C52 VanDerWaalsContact O-N 3.07Å; G48-C52 PolarHBondContact O-SG 3.45Å
49V98.1Very high96.2Very high87 Ų8787.1 Ų87.153%0.52749%0.49SS..Hα-helixtrans-62.4-40175.3172.20000111A45 L46 V51 C52 M53A45-V49 VanDerWaalsContact O-CG2 3.32Å; A45-V49 WeakPolarHBondContact O-CG2 3.4Å; A45-V49 PolarHBondContact O-N 3.32Å; L46-V49 PolarHBondContact O-N 2.92Å; V49-V51 VanDerWaalsContact C-N 3.35Å; V49-V51 PolarHBondContact O-N 2.81Å; V49-C52 PolarHBondContact O-N 3.29Å; V49-M53 VanDerWaalsContact O-CB 3.27Å; V49-M53 WeakPolarHBondContact O-CB 3.34Å; V49-M53 PolarHBondContact O-N 3.44Å
50A97.9Very high95.9Very high59 Ų5988.2 Ų88.249%0.48849%0.493SS..Hα-helixtrans-61.5-41.7178.300000112.2L46 P47 G48 M53 L54L46-A50 WeakPolarHBondContact O-CB 3.27Å; L46-A50 PolarHBondContact O-N 3.41Å; P47-A50 PolarHBondContact O-N 3.07Å; G48-A50 VanDerWaalsContact C-N 3.32Å; G48-A50 PolarHBondContact O-N 3.32Å; A50-M53 PolarHBondContact O-N 2.89Å; A50-L54 WeakPolarHBondContact O-CB 3.47Å; A50-L54 PolarHBondContact O-N 3.45Å
51V97.9Very high95.2Very high104 Ų10491 Ų9163%0.6350%0.503SS*.Hα-helixtrans-64.9-45.4175.5173.70000111.1P47 G48 V49 M53 L54 N55P47-V51 WeakPolarHBondContact O-CG2 3.4Å; P47-V51 PolarHBondContact O-N 3.01Å; G48-V51 PolarHBondContact O-N 3.45Å; V49-V51 VanDerWaalsContact C-N 3.35Å; V49-V51 PolarHBondContact O-N 2.81Å; V51-M53 VanDerWaalsContact C-N 3.35Å; V51-M53 PolarHBondContact O-N 2.97Å; V51-L54 PolarHBondContact O-N 2.97Å; V51-N55 PolarHBondContact O-N 3Å
52C97.2Very high94.5Very high82 Ų8295.3 Ų95.355%0.55452%0.518SS*.Hα-helixtrans-61.5-43.6176.5-68.90000111.8G48 V49 L54 N55 T56G48-C52 PolarHBondContact O-N 3.26Å; G48-C52 VanDerWaalsContact O-N 3.07Å; G48-C52 PolarHBondContact O-SG 3.45Å; V49-C52 PolarHBondContact O-N 3.29Å; C52-L54 VanDerWaalsContact C-N 3.35Å; C52-L54 PolarHBondContact O-N 3.2Å; C52-N55 WeakPolarHBondContact O-CB 3.5Å; C52-N55 PolarHBondContact O-N 3.47Å; C52-T56 PolarHBondContact O-N 2.91Å; C52-T56 PolarHBondContact O-OG1 3.44Å
53M97.7Very high93.2Very high121 Ų12195.2 Ų95.260%0.59652%0.519SS*.Hα-helixtrans-60.7-43.5177.4-171.368.971.500111.5V49 A50 V51 N55 T56 F57V49-M53 VanDerWaalsContact O-CB 3.27Å; V49-M53 WeakPolarHBondContact O-CB 3.34Å; V49-M53 PolarHBondContact O-N 3.44Å; A50-M53 PolarHBondContact O-N 2.89Å; V51-M53 VanDerWaalsContact C-N 3.35Å; V51-M53 PolarHBondContact O-N 2.97Å; M53-N55 VanDerWaalsContact C-N 3.35Å; M53-T56 WeakPolarHBondContact CA-OG1 3.23Å; M53-T56 PolarHBondContact O-N 3.48Å; M53-T56 PolarHBondContact O-OG1 3.15Å; M53-F57 VanDerWaalsContact O-CB 3.23Å; M53-F57 WeakPolarHBondContact O-CB 3.43Å; M53-F57 PolarHBondContact O-N 3.21Å
54L96.6Very high91.4Very high102 Ų10293.8 Ų93.853%0.53451%0.513SS..Hα-helixtrans-63.4-41.7175.9-17862.7000111.3A50 V51 C52 F57 L58A50-L54 WeakPolarHBondContact O-CB 3.47Å; A50-L54 PolarHBondContact O-N 3.45Å; V51-L54 PolarHBondContact O-N 2.97Å; C52-L54 VanDerWaalsContact C-N 3.35Å; C52-L54 PolarHBondContact O-N 3.2Å; L54-F57 PolarHBondContact O-N 2.9Å; L54-L58 HydrophobicContact CD1-CD1 4.24Å; L54-L58 HydrophobicContact CD1-CG 4.25Å; L54-L58 HydrophobicContact CG-CD1 4.11Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.46Å; L54-L58 PolarHBondContact O-N 3.28Å
55N96.2Very high89.4Confident79 Ų7996.5 Ų96.542%0.42252%0.523SS..Hα-helixtrans-61.5-47.1177.3-176.1-105.5000112.1V51 C52 M53 L58 K59V51-N55 PolarHBondContact O-N 3Å; C52-N55 WeakPolarHBondContact O-CB 3.5Å; C52-N55 PolarHBondContact O-N 3.47Å; M53-N55 VanDerWaalsContact C-N 3.35Å; N55-L58 PolarHBondContact O-N 3.34Å; N55-K59 WeakPolarHBondContact O-CG 3.2Å; N55-K59 PolarHBondContact O-N 3.03Å; N55-K59 VanDerWaalsContact O-N 3.1Å; N55-K59 WeakPolarHBondContact OD1-CE 3.47Å; N55-K59 PolarHBondContact OD1-NZ 2.96Å
56T94.1Very high87.7Confident78 Ų78100.2 Ų100.248%0.47954%0.537SS..Hα-helixtrans-66.7-39.5179.1520000111.4C52 M53 K59 E60C52-T56 PolarHBondContact O-N 2.91Å; C52-T56 PolarHBondContact O-OG1 3.44Å; M53-T56 WeakPolarHBondContact CA-OG1 3.23Å; M53-T56 PolarHBondContact O-N 3.48Å; M53-T56 PolarHBondContact O-OG1 3.15Å; T56-K59 PolarHBondContact O-N 3.47Å; T56-E60 WeakPolarHBondContact O-CB 3.36Å; T56-E60 PolarHBondContact O-N 3.1Å
57F93.9Very high86.3Confident96 Ų9699.6 Ų99.642%0.42155%0.545SS..Hα-helixtrans-63.7-41.7177.9-179.4-103.7000112.7M53 L54 E60 K61M53-F57 VanDerWaalsContact O-CB 3.23Å; M53-F57 WeakPolarHBondContact O-CB 3.43Å; M53-F57 PolarHBondContact O-N 3.21Å; L54-F57 PolarHBondContact O-N 2.9Å; F57-E60 PolarHBondContact O-N 3.06Å; F57-K61 HydrophobicContact CE1-CD 3.93Å; F57-K61 HydrophobicContact CZ-CD 4.12Å; F57-K61 PolarHBondContact O-N 3.19Å; F57-K61 VanDerWaalsContact O-N 3.12Å
58L93.3Very high85.2Confident102 Ų10297.8 Ų97.853%0.53453%0.533SS..Hα-helixtrans-65.5-42.4175.9-70.3172000111.5L54 N55 K61 E62L54-L58 HydrophobicContact CD1-CD1 4.24Å; L54-L58 HydrophobicContact CD1-CG 4.25Å; L54-L58 HydrophobicContact CG-CD1 4.11Å; L54-L58 VanDerWaalsContact O-CG 3.29Å; L54-L58 WeakPolarHBondContact O-CG 3.46Å; L54-L58 PolarHBondContact O-N 3.28Å; N55-L58 PolarHBondContact O-N 3.34Å; L58-K61 PolarHBondContact O-N 3.5Å; L58-E62 PolarHBondContact O-N 3.1Å; L58-E62 VanDerWaalsContact O-N 3.14Å
59K88.7Confident84.3Confident102 Ų102100.8 Ų100.844%0.44355%0.546SS..Hα-helixtrans-65.7-40.3175.9-76.2175.4172.6162.50112.8N55 T56 K61 E62 H63N55-K59 WeakPolarHBondContact O-CG 3.2Å; N55-K59 PolarHBondContact O-N 3.03Å; N55-K59 VanDerWaalsContact O-N 3.1Å; N55-K59 WeakPolarHBondContact OD1-CE 3.47Å; N55-K59 PolarHBondContact OD1-NZ 2.96Å; T56-K59 PolarHBondContact O-N 3.47Å; K59-K61 VanDerWaalsContact C-N 3.28Å; K59-K61 PolarHBondContact O-N 2.82Å; K59-E62 PolarHBondContact O-N 3.12Å; K59-E62 VanDerWaalsContact O-N 3.13Å; K59-H63 WeakPolarHBondContact O-CB 3.38Å; K59-H63 PolarHBondContact O-CD2 3.11Å; K59-H63 PolarHBondContact O-N 3.42Å
60E86.9Confident83.6Confident132 Ų132105 Ų10562%0.61756%0.56SS**Hα-helixtrans-60.4-41176-176.7-174.6-172.600111.1T56 F57 E62 H63 S64T56-E60 WeakPolarHBondContact O-CB 3.36Å; T56-E60 PolarHBondContact O-N 3.1Å; F57-E60 PolarHBondContact O-N 3.06Å; E60-E62 VanDerWaalsContact C-N 3.32Å; E60-E62 PolarHBondContact O-N 3Å; E60-H63 PolarHBondContact O-N 3.5Å; E60-S64 PolarHBondContact O-N 3.46Å
61K83.3Confident83.1Confident133 Ų133104.9 Ų104.958%0.57855%0.549SS*.Hα-helixtrans-63.7-35.7173.8-79.1-169.8156.6-172.90113.1F57 L58 K59 S64F57-K61 HydrophobicContact CE1-CD 3.93Å; F57-K61 HydrophobicContact CZ-CD 4.12Å; F57-K61 PolarHBondContact O-N 3.19Å; F57-K61 VanDerWaalsContact O-N 3.12Å; L58-K61 PolarHBondContact O-N 3.5Å; K59-K61 VanDerWaalsContact C-N 3.28Å; K59-K61 PolarHBondContact O-N 2.82Å; K61-S64 WeakPolarHBondContact O-CB 3.38Å; K61-S64 PolarHBondContact O-OG 3.32Å
62E81.7Confident82.7Confident155 Ų155102.7 Ų102.772%0.72454%0.536SS*.Hα-helixtrans-70.7-37.9174.9-167.4174.2-179.100111.6L58 K59 E60 S64L58-E62 PolarHBondContact O-N 3.1Å; L58-E62 VanDerWaalsContact O-N 3.14Å; K59-E62 PolarHBondContact O-N 3.12Å; K59-E62 VanDerWaalsContact O-N 3.13Å; E60-E62 VanDerWaalsContact C-N 3.32Å; E60-E62 PolarHBondContact O-N 3Å; E62-S64 PolarHBondContact O-N 3.32Å; E62-S64 VanDerWaalsContact O-N 3.16Å
63H69.6Low82.3Confident129 Ų129103.2 Ų103.260%0.59754%0.538SS*.THydrogen-bonded Turntrans-76.510.1178-72.1-50.1000115.1K59 E60 H65K59-H63 WeakPolarHBondContact O-CB 3.38Å; K59-H63 PolarHBondContact O-CD2 3.11Å; K59-H63 PolarHBondContact O-N 3.42Å; E60-H63 PolarHBondContact O-N 3.5Å; H63-H65 PolarHBondContact O-N 2.99Å
64S57.4Low82Confident65 Ų65103.5 Ų103.546%0.45553%0.534SS..SBendtrans-80.7-7.1-163.256.50000116.2E60 K61 E62E60-S64 PolarHBondContact O-N 3.46Å; K61-S64 WeakPolarHBondContact O-CB 3.38Å; K61-S64 PolarHBondContact O-OG 3.32Å; E62-S64 PolarHBondContact O-N 3.32Å; E62-S64 VanDerWaalsContact O-N 3.16Å
65H55.5Low81.7Confident166 Ų166105 Ų10577%0.76955%0.547SS*.  trans-149.519.4-172.8-68.2-75.1000116.1H63 A67H63-H65 PolarHBondContact O-N 2.99Å; H65-A67 PolarHBondContact O-N 3.41Å
66D63.3Low81.5Confident123 Ų123107.3 Ų107.366%0.65856%0.555SS**PPolyproline II helixtrans-69.5119.9173.1-66.9-30.2000108.7
67A68.7Low81.4Confident81 Ų81106.9 Ų106.967%0.66955%0.549SS*.PPolyproline II helixtrans-53.3138.7171.800000108.6H65H65-A67 PolarHBondContact O-N 3.41Å
68P72.8Confident81.3Confident22 Ų22106.1 Ų106.114%0.14354%0.544CS..PPolyproline II helixtrans-53.8141.6177.422-32.3000109.6H98 Y106P68-H98 WeakPolarHBondContact CB-O 3.42Å; P68-H98 WeakPolarHBondContact CG-O 3.48Å; P68-Y106 HydrophobicContact CB-CD1 4.34Å; P68-Y106 HydrophobicContact CB-CE1 3.7Å; P68-Y106 HydrophobicContact CB-CE2 4.28Å; P68-Y106 HydrophobicContact CG-CE1 4.35Å
69P80Confident81.3Confident98 Ų98106.3 Ų106.364%0.63654%0.544SS*.PPolyproline II helixtrans-58.6153.1179.626.6-34.7000110.1F71 Y106P69-F71 PolarHBondContact O-N 3.35Å; P69-Y106 VanDerWaalsContact O-CE2 3.32Å; P69-Y106 WeakPolarHBondContact O-CE2 3.33Å
70E82.9Confident81.4Confident176 Ų176105.3 Ų105.382%0.82254%0.538SS*.PPolyproline II helixtrans-52.3136.3177.7-173.1-178.817000111.2V72E70-V72 PolarHBondContact O-N 3.23Å; E70-V72 VanDerWaalsContact O-N 3.15Å
71F87.2Confident81.7Confident56 Ų56105.8 Ų105.825%0.24655%0.55CS..  trans-71.6111.2-180177.9-105.8000110.9P69 P73 A101 L102 Y106P69-F71 PolarHBondContact O-N 3.35Å; F71-P73 HydrophobicContact CE1-CB 3.85Å; F71-P73 HydrophobicContact CE1-CG 4.35Å; F71-P73 HydrophobicContact CZ-CB 4.02Å; F71-A101 HydrophobicContact CD2-CB 3.38Å; F71-A101 HydrophobicContact CE2-CB 3.55Å; F71-L102 VanDerWaalsContact CE2-O 3.29Å; F71-L102 WeakPolarHBondContact CE2-O 3.32Å; F71-L102 WeakPolarHBondContact CZ-O 3.05Å; F71-Y106 HydrophobicContact CB-CD2 3.9Å; F71-Y106 HydrophobicContact CB-CE2 4.02Å; F71-Y106 HydrophobicContact CD2-CE2 4.46Å
72V88.9Confident82.2Confident58 Ų58107.7 Ų107.735%0.35256%0.558SS.*  trans-109.8120.1169-176.20000109.3E70 Y74 R78E70-V72 PolarHBondContact O-N 3.23Å; E70-V72 VanDerWaalsContact O-N 3.15Å; V72-Y74 HydrophobicContact CB-CD2 4.02Å; V72-Y74 HydrophobicContact CB-CE2 3.59Å; V72-Y74 HydrophobicContact CG1-CD1 4.15Å; V72-Y74 HydrophobicContact CG1-CD2 3.99Å; V72-Y74 HydrophobicContact CG1-CE1 3.8Å; V72-Y74 HydrophobicContact CG1-CE2 3.65Å; V72-Y74 HydrophobicContact CG1-CG 4.24Å; V72-Y74 HydrophobicContact CG2-CE2 4.46Å; V72-Y74 WeakPolarHBondContact O-CD2 3.29Å; V72-Y74 PolarHBondContact O-N 3.15Å; V72-R78 PolarHBondContact O-NH1 2.86Å
73P89.8Confident82.7Confident94 Ų94109.4 Ų109.461%0.6156%0.558SS**  trans-78.568.6-178.132.3-35.6000111.2F71 T75F71-P73 HydrophobicContact CE1-CB 3.85Å; F71-P73 HydrophobicContact CE1-CG 4.35Å; F71-P73 HydrophobicContact CZ-CB 4.02Å; P73-T75 PolarHBondContact O-N 2.89Å
74Y90.6Very high83.9Confident127 Ų127106 Ų10650%0.49854%0.542SS..  trans-62.5130.7173.7-67.4-69000111.1V72 H76 L77V72-Y74 HydrophobicContact CB-CD2 4.02Å; V72-Y74 HydrophobicContact CB-CE2 3.59Å; V72-Y74 HydrophobicContact CG1-CD1 4.15Å; V72-Y74 HydrophobicContact CG1-CD2 3.99Å; V72-Y74 HydrophobicContact CG1-CE1 3.8Å; V72-Y74 HydrophobicContact CG1-CE2 3.65Å; V72-Y74 HydrophobicContact CG1-CG 4.24Å; V72-Y74 HydrophobicContact CG2-CE2 4.46Å; V72-Y74 WeakPolarHBondContact O-CD2 3.29Å; V72-Y74 PolarHBondContact O-N 3.15Å; Y74-H76 AromaticContact CG-CE1 3.98Å; Y74-H76 PolarHBondContact O-N 3.39Å; Y74-H76 VanDerWaalsContact O-N 3.1Å; Y74-L77 HydrophobicContact CD2-CD1 3.8Å; Y74-L77 HydrophobicContact CG-CD1 4.31Å; Y74-L77 PolarHBondContact O-N 3.05Å
75T91.1Very high85.8Confident133 Ų133108.5 Ų108.582%0.81656%0.556SS**THydrogen-bonded Turntrans-61.2-22.8-175.654.90000114.6P73P73-T75 PolarHBondContact O-N 2.89Å
76H92.4Very high87.6Confident128 Ų128105.5 Ų105.559%0.59354%0.538SS*.THydrogen-bonded Turntrans-92.8-11179.164.5-85.9000113.4Y74Y74-H76 AromaticContact CG-CE1 3.98Å; Y74-H76 PolarHBondContact O-N 3.39Å; Y74-H76 VanDerWaalsContact O-N 3.1Å
77L92.5Very high89Confident68 Ų68103.6 Ų103.636%0.35655%0.548SS..SBendtrans-100.5151.7179.4-60.5-178.5000110.5Y74 I79Y74-L77 HydrophobicContact CD2-CD1 3.8Å; Y74-L77 HydrophobicContact CG-CD1 4.31Å; Y74-L77 PolarHBondContact O-N 3.05Å; L77-I79 PolarHBondContact O-N 3.4Å
78R91.8Very high90Very high81 Ų81103.2 Ų103.231%0.30653%0.534SS..SBendtrans53.129175.2-51.8105-171.3176.9-3.8114.8V72 R80 P103V72-R78 PolarHBondContact O-NH1 2.86Å; R78-R80 PolarHBondContact O-N 3.32Å; R78-P103 HydrophobicContact CB-CG 4.34Å; R78-P103 WeakPolarHBondContact O-CG 3.34Å
79I91.4Very high90.9Very high106 Ų106102.4 Ų102.454%0.54453%0.53SS..  trans-59.7137.8174.5-59.5170.3000109.9L77 T81L77-I79 PolarHBondContact O-N 3.4Å; I79-T81 HydrophobicContact CG2-CG2 3.96Å
80R91.3Very high91.5Very high81 Ų8199.7 Ų99.731%0.30651%0.51SS..  trans-130.192.5176.1-62.4-65.4-177.4-97.90.1109.8R78 N90 P103R78-R80 PolarHBondContact O-N 3.32Å; R80-N90 PolarHBondContact NE-O 3.46Å; R80-N90 VanDerWaalsContact NE-O 3.11Å; R80-N90 PolarHBondContact NH2-O 3.13Å; R80-P103 HydrophobicContact CG-CG 3.9Å
81T93.4Very high92Very high141 Ų14194.2 Ų94.287%0.86548%0.483SS*.SBendtrans-83.5-29.2176.1530000112.6I79I79-T81 HydrophobicContact CG2-CG2 3.96Å
82K93.3Very high92.3Very high173 Ų17394.1 Ų94.175%0.75249%0.487SS*.SBendtrans-141.7148.8175.4-172.3179.9177.2-179.90109.2
83R93.8Very high92.5Very high191 Ų19196.8 Ų96.872%0.72150%0.499SS*.  trans-66.7142.9173.4-68.2-178.2-179.2-101.4-0.1111.3D88 G89R83-D88 PolarHBondContact NH1-O 3.1Å; R83-G89 WeakPolarHBondContact CA-O 3.45Å
84F94.9Very high92.7Very high59 Ų59100.7 Ų100.726%0.25951%0.507SS..  trans-66.2151171.2-61.5-60.5000111.2W86 G89 K91 T92F84-W86 HydrophobicContact CB-CD2 4.16Å; F84-W86 HydrophobicContact CB-CH2 4.36Å; F84-W86 HydrophobicContact CB-CZ2 3.82Å; F84-W86 HydrophobicContact CD1-CH2 4.17Å; F84-W86 AromaticContact CD1-CZ2 3.89Å; F84-W86 HydrophobicContact CD1-CZ2 3.89Å; F84-W86 HydrophobicContact CG-CH2 4.48Å; F84-W86 AromaticContact CG-CZ2 3.85Å; F84-W86 HydrophobicContact CG-CZ2 3.85Å; F84-W86 PolarHBondContact O-N 3.1Å; F84-W86 VanDerWaalsContact O-N 3.15Å; F84-G89 WeakPolarHBondContact CD2-O 3.48Å; F84-G89 PolarHBondContact N-O 3.14Å; F84-G89 WeakPolarHBondContact O-CA 3.29Å; F84-K91 WeakPolarHBondContact CD2-O 3.34Å; F84-T92 HydrophobicContact CE2-CG2 4.11Å; F84-T92 HydrophobicContact CZ-CG2 4.11Å
85P96.1Very high92.9Very high117 Ų11796.9 Ų96.976%0.7649%0.493SS*.SBendtrans-80.318-177.432.8-34.8000114.3
86W94.2Very high92.8Very high103 Ų10394.2 Ų94.239%0.3947%0.474SS..SBendtrans-139.7160.6178.455.576.8000110.9F84 D88 G89 K91 L93F84-W86 HydrophobicContact CB-CD2 4.16Å; F84-W86 HydrophobicContact CB-CH2 4.36Å; F84-W86 HydrophobicContact CB-CZ2 3.82Å; F84-W86 HydrophobicContact CD1-CH2 4.17Å; F84-W86 AromaticContact CD1-CZ2 3.89Å; F84-W86 HydrophobicContact CD1-CZ2 3.89Å; F84-W86 HydrophobicContact CG-CH2 4.48Å; F84-W86 AromaticContact CG-CZ2 3.85Å; F84-W86 HydrophobicContact CG-CZ2 3.85Å; F84-W86 PolarHBondContact O-N 3.1Å; F84-W86 VanDerWaalsContact O-N 3.15Å; W86-D88 PolarHBondContact O-N 3.38Å; W86-G89 PolarHBondContact O-N 3.27Å; W86-K91 PolarHBondContact NE1-O 3.43Å; W86-L93 HydrophobicContact CD2-CD1 4.47Å; W86-L93 HydrophobicContact CH2-CB 4.43Å; W86-L93 HydrophobicContact CZ2-CB 3.92Å
87G91.5Very high92.6Very high83 Ų8391 Ų9186%0.85647%0.466SS*.THydrogen-bonded Turntrans55.7-13517600000113.1G89G87-G89 VanDerWaalsContact C-N 3.26Å
88D89.6Confident92.2Very high72 Ų7292.6 Ų92.639%0.38547%0.471SS..THydrogen-bonded Turntrans-81.1-4.7175.661.91.4000113.6R83 W86 N90 K91R83-D88 PolarHBondContact NH1-O 3.1Å; W86-D88 PolarHBondContact O-N 3.38Å; D88-N90 PolarHBondContact O-N 2.89Å; D88-N90 PolarHBondContact OD1-N 3.38Å; D88-K91 PolarHBondContact OD1-N 3.14Å; D88-K91 VanDerWaalsContact OD1-N 3.15Å; D88-K91 IonicContact OD2-NZ 2.73Å; D88-K91 PolarHBondContact OD2-NZ 3.35Å
89G92.8Very high91.9Very high5 Ų592 Ų925%0.05248%0.477CS..SBendtrans74.84.5-175.600000114.9R83 F84 W86 G87R83-G89 WeakPolarHBondContact CA-O 3.45Å; F84-G89 WeakPolarHBondContact CD2-O 3.48Å; F84-G89 PolarHBondContact N-O 3.14Å; F84-G89 WeakPolarHBondContact O-CA 3.29Å; W86-G89 PolarHBondContact O-N 3.27Å; G87-G89 VanDerWaalsContact C-N 3.26Å
90N91.8Very high91.8Very high41 Ų4190 Ų9022%0.21947%0.467CS..SBendtrans-106.4-33.7-178.8-161.621.3000112.5R80 D88R80-N90 PolarHBondContact NE-O 3.46Å; R80-N90 VanDerWaalsContact NE-O 3.11Å; R80-N90 PolarHBondContact NH2-O 3.13Å; D88-N90 PolarHBondContact O-N 2.89Å; D88-N90 PolarHBondContact OD1-N 3.38Å
91K93.6Very high91.8Very high62 Ų6286.5 Ų86.527%0.2746%0.455SS..SBendtrans-82.6135.9-179.8-65.8174.5176.564.60112.3F84 W86 D88 H95 L102 E107F84-K91 WeakPolarHBondContact CD2-O 3.34Å; W86-K91 PolarHBondContact NE1-O 3.43Å; D88-K91 PolarHBondContact OD1-N 3.14Å; D88-K91 VanDerWaalsContact OD1-N 3.15Å; D88-K91 IonicContact OD2-NZ 2.73Å; D88-K91 PolarHBondContact OD2-NZ 3.35Å; K91-H95 HydrophobicContact CB-CB 3.95Å; K91-H95 HydrophobicContact CG-CB 4.46Å; K91-L102 HydrophobicContact CG-CD2 4.22Å; K91-E107 WeakPolarHBondContact CE-OE1 3.27Å; K91-E107 WeakPolarHBondContact CE-OE2 3.47Å; K91-E107 IonicContact NZ-OE1 3.35Å; K91-E107 PolarHBondContact NZ-OE1 2.63Å; K91-E107 IonicContact NZ-OE2 3.99Å
92T92.9Very high91.6Very high53 Ų5380.2 Ų80.233%0.32542%0.416SS..  trans-67.3163.4173.454.50000111.2F84 F94 H95F84-T92 HydrophobicContact CE2-CG2 4.11Å; F84-T92 HydrophobicContact CZ-CG2 4.11Å; T92-F94 VanDerWaalsContact C-N 3.27Å; T92-F94 PolarHBondContact O-N 3.36Å; T92-H95 WeakPolarHBondContact O-CB 3.47Å; T92-H95 PolarHBondContact O-N 2.81Å
93L94.2Very high91.4Very high115 Ų11574.8 Ų74.860%0.60240%0.399SS*.THydrogen-bonded Turntrans-57.8-39.2-179.6-17365.3000113.1W86W86-L93 HydrophobicContact CD2-CD1 4.47Å; W86-L93 HydrophobicContact CH2-CB 4.43Å; W86-L93 HydrophobicContact CZ2-CB 3.92Å
94F94.6Very high91Very high176 Ų17671.8 Ų71.877%0.77240%0.397SS*.THydrogen-bonded Turntrans-108.555175-56.5-67.7000110.5T92 N100T92-F94 VanDerWaalsContact C-N 3.27Å; T92-F94 PolarHBondContact O-N 3.36Å; F94-N100 PolarHBondContact O-ND2 2.73Å
95H93Very high90.7Very high46 Ų4669.4 Ų69.421%0.21339%0.39CS..  trans-73.1135.5176-172.566.5000111.2K91 T92 N100 E107K91-H95 HydrophobicContact CB-CB 3.95Å; K91-H95 HydrophobicContact CG-CB 4.46Å; T92-H95 WeakPolarHBondContact O-CB 3.47Å; T92-H95 PolarHBondContact O-N 2.81Å; H95-N100 PolarHBondContact CE1-O 3.16Å; H95-E107 IonicContact CD2-OE1 3.8Å; H95-E107 IonicContact CE1-OE1 3.62Å; H95-E107 IonicContact NE2-OE1 2.85Å; H95-E107 PolarHBondContact NE2-OE1 3.47Å; H95-E107 IonicContact NE2-OE2 3.51Å
96N90.6Very high90.2Very high78 Ų7865.5 Ų65.542%0.41736%0.36SS..  trans-129.5111.8174.1177-8.5000107.3H98 V99 N100N96-H98 PolarHBondContact O-N 3.14Å; N96-H98 VanDerWaalsContact O-N 3.14Å; N96-H98 WeakPolarHBondContact OD1-CB 2.96Å; N96-H98 PolarHBondContact OD1-N 3.1Å; N96-H98 VanDerWaalsContact OD1-N 3.1Å; N96-V99 HydrophobicContact CB-CG2 3.8Å; N96-V99 PolarHBondContact O-N 2.86Å; N96-N100 PolarHBondContact N-ND2 2.85Å; N96-N100 WeakPolarHBondContact O-CB 3.3Å; N96-N100 PolarHBondContact O-N 3.18Å
97S88.4Confident89.6Confident59 Ų5963.5 Ų63.541%0.41336%0.355SS..THydrogen-bonded Turntrans-57.5-29.1-174.950.80000113.3
98H82.4Confident88.5Confident103 Ų10363.3 Ų63.348%0.47735%0.353SS..THydrogen-bonded Turntrans-74.7-30-178-174.2-100000113.6P68 N96P68-H98 WeakPolarHBondContact CB-O 3.42Å; P68-H98 WeakPolarHBondContact CG-O 3.48Å; N96-H98 PolarHBondContact O-N 3.14Å; N96-H98 VanDerWaalsContact O-N 3.14Å; N96-H98 WeakPolarHBondContact OD1-CB 2.96Å; N96-H98 PolarHBondContact OD1-N 3.1Å; N96-H98 VanDerWaalsContact OD1-N 3.1Å
99V86Confident86.9Confident69 Ų6964 Ų6442%0.41835%0.354SS..THydrogen-bonded Turntrans-125.1-20.4-170.7-57.60000114N96 Y106N96-V99 HydrophobicContact CB-CG2 3.8Å; N96-V99 PolarHBondContact O-N 2.86Å; V99-Y106 VanDerWaalsContact C-CE1 3.47Å; V99-Y106 WeakPolarHBondContact O-CE1 2.99Å; V99-Y106 PolarHBondContact O-OH 3.16Å
100N90Very high84.8Confident63 Ų6371 Ų7134%0.33739%0.39SS..  trans-105.4101-178.9-63.9-26.2000110F94 H95 N96F94-N100 PolarHBondContact O-ND2 2.73Å; H95-N100 PolarHBondContact CE1-O 3.16Å; N96-N100 PolarHBondContact N-ND2 2.85Å; N96-N100 WeakPolarHBondContact O-CB 3.3Å; N96-N100 PolarHBondContact O-N 3.18Å
101A90.2Very high82.6Confident7 Ų776.6 Ų76.66%0.05841%0.409CS..  trans-68142.617100000111.8F71 Y106F71-A101 HydrophobicContact CD2-CB 3.38Å; F71-A101 HydrophobicContact CE2-CB 3.55Å; A101-Y106 HydrophobicContact CB-CD1 4.06Å; A101-Y106 HydrophobicContact CB-CD2 3.96Å; A101-Y106 HydrophobicContact CB-CE1 4.01Å; A101-Y106 HydrophobicContact CB-CE2 3.88Å; A101-Y106 HydrophobicContact CB-CG 4.02Å
102L90.9Very high80Confident9 Ų978.6 Ų78.65%0.04743%0.426CS..BIsolated β-bridgetrans-78.7173165.1-68.4-176.3000110.7F71 K91 D104 G105 E107F71-L102 VanDerWaalsContact CE2-O 3.29Å; F71-L102 WeakPolarHBondContact CE2-O 3.32Å; F71-L102 WeakPolarHBondContact CZ-O 3.05Å; K91-L102 HydrophobicContact CG-CD2 4.22Å; L102-D104 WeakPolarHBondContact CB-OD1 3.37Å; L102-D104 PolarHBondContact O-N 3.38Å; L102-D104 VanDerWaalsContact O-N 3.14Å; L102-G105 PolarHBondContact N-O 3.35Å; L102-G105 PolarHBondContact O-N 3.15Å; L102-G105 VanDerWaalsContact O-N 3.1Å; L102-E107 HydrophobicContact CD1-CG 3.98Å; L102-E107 WeakPolarHBondContact CD1-OE1 3.33Å; L102-E107 HydrophobicContact CG-CG 4.34Å; L102-E107 VanDerWaalsContact CG-OE1 3.3Å; L102-E107 WeakPolarHBondContact CG-OE1 3.32Å
103P88.5Confident77.7Confident59 Ų5978.7 Ų78.738%0.38343%0.429SS..THydrogen-bonded Turntrans-57-24.5174.9-24.235.2000114R78 R80R78-P103 HydrophobicContact CB-CG 4.34Å; R78-P103 WeakPolarHBondContact O-CG 3.34Å; R80-P103 HydrophobicContact CG-CG 3.9Å
104D85.6Confident75.3Confident128 Ų12876.9 Ų76.968%0.68442%0.42SS*.THydrogen-bonded Turntrans-95.2-6179.452-40.6000114.2L102L102-D104 WeakPolarHBondContact CB-OD1 3.37Å; L102-D104 PolarHBondContact O-N 3.38Å; L102-D104 VanDerWaalsContact O-N 3.14Å
105G87Confident73.1Confident10 Ų1072.4 Ų72.410%0.10341%0.406CS..BIsolated β-bridgetrans126.8-170177.600000114.3L102L102-G105 PolarHBondContact N-O 3.35Å; L102-G105 PolarHBondContact O-N 3.15Å; L102-G105 VanDerWaalsContact O-N 3.1Å
106Y87.4Confident70.7Confident35 Ų3578 Ų7814%0.13743%0.426CS..  trans-78.9140.1175.3-75.8-85.1000111.5P68 P69 F71 V99 A101 G108 H109P68-Y106 HydrophobicContact CB-CD1 4.34Å; P68-Y106 HydrophobicContact CB-CE1 3.7Å; P68-Y106 HydrophobicContact CB-CE2 4.28Å; P68-Y106 HydrophobicContact CG-CE1 4.35Å; P69-Y106 VanDerWaalsContact O-CE2 3.32Å; P69-Y106 WeakPolarHBondContact O-CE2 3.33Å; F71-Y106 HydrophobicContact CB-CD2 3.9Å; F71-Y106 HydrophobicContact CB-CE2 4.02Å; F71-Y106 HydrophobicContact CD2-CE2 4.46Å; V99-Y106 VanDerWaalsContact C-CE1 3.47Å; V99-Y106 WeakPolarHBondContact O-CE1 2.99Å; V99-Y106 PolarHBondContact O-OH 3.16Å; A101-Y106 HydrophobicContact CB-CD1 4.06Å; A101-Y106 HydrophobicContact CB-CD2 3.96Å; A101-Y106 HydrophobicContact CB-CE1 4.01Å; A101-Y106 HydrophobicContact CB-CE2 3.88Å; A101-Y106 HydrophobicContact CB-CG 4.02Å; Y106-G108 PolarHBondContact O-N 3.18Å; Y106-H109 WeakPolarHBondContact CB-CD2 3.44Å
107E80.4Confident68.5Low61 Ų6177.5 Ų77.529%0.28542%0.423SS..THydrogen-bonded Turntrans-78.5119.6176.1-66.6173.5-156.500109.5K91 H95 L102K91-E107 WeakPolarHBondContact CE-OE1 3.27Å; K91-E107 WeakPolarHBondContact CE-OE2 3.47Å; K91-E107 IonicContact NZ-OE1 3.35Å; K91-E107 PolarHBondContact NZ-OE1 2.63Å; K91-E107 IonicContact NZ-OE2 3.99Å; H95-E107 IonicContact CD2-OE1 3.8Å; H95-E107 IonicContact CE1-OE1 3.62Å; H95-E107 IonicContact NE2-OE1 2.85Å; H95-E107 PolarHBondContact NE2-OE1 3.47Å; H95-E107 IonicContact NE2-OE2 3.51Å; L102-E107 HydrophobicContact CD1-CG 3.98Å; L102-E107 WeakPolarHBondContact CD1-OE1 3.33Å; L102-E107 HydrophobicContact CG-CG 4.34Å; L102-E107 VanDerWaalsContact CG-OE1 3.3Å; L102-E107 WeakPolarHBondContact CG-OE1 3.32Å
108G69Low66.7Low79 Ų7978.7 Ų78.781%0.81445%0.445SS*.THydrogen-bonded Turntrans98.28.2175.100000116.2Y106 D110Y106-G108 PolarHBondContact O-N 3.18Å; G108-D110 PolarHBondContact O-N 3.31Å
109H55.7Low65.4Low86 Ų8682.4 Ų82.440%0.39846%0.46SS..  trans-88.781167.4-72.2-102.8000110Y106 Y111Y106-H109 WeakPolarHBondContact CB-CD2 3.44Å; H109-Y111 WeakPolarHBondContact O-CD1 3.16Å; H109-Y111 WeakPolarHBondContact O-CE1 3.21Å; H109-Y111 PolarHBondContact O-N 3.1Å; H109-Y111 VanDerWaalsContact O-N 3.1Å
110D48.7Very low63.7Low153 Ų15383.4 Ų83.482%0.81846%0.462SS*.  trans-66.5102.9152.7-78.6-36000106.5G108 T112G108-D110 PolarHBondContact O-N 3.31Å; D110-T112 VanDerWaalsContact C-N 3.35Å; D110-T112 PolarHBondContact O-N 2.83Å
111Y44.4Very low62Low157 Ų15790.5 Ų90.562%0.61649%0.485SS*.  trans-64.790.7-177.9-3.6-93.8000110H109 C113H109-Y111 WeakPolarHBondContact O-CD1 3.16Å; H109-Y111 WeakPolarHBondContact O-CE1 3.21Å; H109-Y111 PolarHBondContact O-N 3.1Å; H109-Y111 VanDerWaalsContact O-N 3.1Å; Y111-C113 VanDerWaalsContact CB-SG 3.58Å; Y111-C113 PolarHBondContact O-N 3.28Å
112T40.5Very low60.2Low104 Ų10498 Ų9864%0.63851%0.511SS*.  trans-81.485.5140.732.80000106.5D110 L114 L126D110-T112 VanDerWaalsContact C-N 3.35Å; D110-T112 PolarHBondContact O-N 2.83Å; T112-L114 PolarHBondContact O-N 2.83Å; T112-L126 HydrophobicContact CG2-CD2 3.74Å
113C43.7Very low58.4Low56 Ų56102.6 Ų102.638%0.37854%0.535SS..  trans-65.386167.5-64.50000108.1Y111 V115Y111-C113 VanDerWaalsContact CB-SG 3.58Å; Y111-C113 PolarHBondContact O-N 3.28Å; C113-V115 VanDerWaalsContact C-N 3.31Å; C113-V115 PolarHBondContact O-N 3.04Å
114L45.3Very low56.5Low77 Ų77104.2 Ų104.240%0.40354%0.54SS..EExtended strand (participates in β ladder)trans-74.192.1165.8-65.1180000107.2T112 W116 I123 L126T112-L114 PolarHBondContact O-N 2.83Å; L114-W116 PolarHBondContact O-N 3.01Å; L114-I123 HydrophobicContact CD1-CD1 4.43Å; L114-I123 HydrophobicContact CD2-CD1 4.2Å; L114-I123 HydrophobicContact CD2-CG1 4.33Å; L114-I123 HydrophobicContact CD2-CG2 3.64Å; L114-L126 HydrophobicContact CD2-CD2 4.2Å
115V47.1Very low54.8Low82 Ų82104.5 Ų104.550%0.49754%0.535SS..EExtended strand (participates in β ladder)trans-62.6106.3166.3178.30000107.3C113 D117C113-V115 VanDerWaalsContact C-N 3.31Å; C113-V115 PolarHBondContact O-N 3.04Å; V115-D117 PolarHBondContact O-N 3.07Å
116W42.3Very low52.8Low163 Ų163110 Ų11062%0.61756%0.562SS**EExtended strand (participates in β ladder)trans-81.4109.5172-92.282.1000109.1L114 G118 R121L114-W116 PolarHBondContact O-N 3.01Å; W116-G118 PolarHBondContact O-N 3.34Å; W116-R121 HydrophobicContact CZ3-CB 3.95Å; W116-R121 HydrophobicContact CZ3-CG 4.06Å
117D45.8Very low50.9Low68 Ų68113 Ų11336%0.36458%0.579SS.*  trans-73.7109.8164-179.511.7000108.6V115 K119 D120V115-D117 PolarHBondContact O-N 3.07Å; D117-K119 PolarHBondContact O-N 3.26Å; D117-K119 PolarHBondContact OD1-N 3.44Å; D117-D120 PolarHBondContact O-N 3.47Å
118G50.8Low49Very low84 Ų84117.6 Ų117.687%0.86660%0.604SS**THydrogen-bonded Turntrans-63.5-3.2-177.600000114.7W116W116-G118 PolarHBondContact O-N 3.34Å
119K53.8Low47.3Very low181 Ų181117.6 Ų117.679%0.78759%0.591SS**THydrogen-bonded Turntrans-90.4-28.2-179.5-155.7166-175.5175.30114.4D117D117-K119 PolarHBondContact O-N 3.26Å; D117-K119 PolarHBondContact OD1-N 3.44Å
120D50.6Low46.8Very low89 Ų89122.7 Ų122.748%0.47663%0.632SS.*THydrogen-bonded Turntrans-138.45.3-163.2-12133.4000116.2D117 R122D117-D120 PolarHBondContact O-N 3.47Å; D120-R122 PolarHBondContact O-N 2.98Å; D120-R122 IonicContact OD2-CZ 3.72Å; D120-R122 IonicContact OD2-NE 3.72Å; D120-R122 IonicContact OD2-NH2 2.87Å; D120-R122 PolarHBondContact OD2-NH2 3.41Å
121R54.5Low46.7Very low213 Ų213121.2 Ų121.280%0.80462%0.623SS**SBendtrans4538.5179.6-62.5-166.7-77.6-154.1-6.2113.8W116W116-R121 HydrophobicContact CZ3-CB 3.95Å; W116-R121 HydrophobicContact CZ3-CG 4.06Å
122R51.7Low46.9Very low163 Ų163119.3 Ų119.362%0.61562%0.623SS**  trans-125.7139.5174.8-75.9-170.8-82.6-176-3.2109.9D120 L124D120-R122 PolarHBondContact O-N 2.98Å; D120-R122 IonicContact OD2-CZ 3.72Å; D120-R122 IonicContact OD2-NE 3.72Å; D120-R122 IonicContact OD2-NH2 2.87Å; D120-R122 PolarHBondContact OD2-NH2 3.41Å; R122-L124 PolarHBondContact O-N 3.34Å
123I53.3Low47.2Very low107 Ų107120.1 Ų120.155%0.54962%0.622SS.*EExtended strand (participates in β ladder)trans-70.8114.7176.4-63.7166.6000107.5L114L114-I123 HydrophobicContact CD1-CD1 4.43Å; L114-I123 HydrophobicContact CD2-CD1 4.2Å; L114-I123 HydrophobicContact CD2-CG1 4.33Å; L114-I123 HydrophobicContact CD2-CG2 3.64Å
124L50Low47.4Very low92 Ų92123.9 Ų123.948%0.48264%0.636SS.*EExtended strand (participates in β ladder)trans-94.7-35.8-174.2-118.990.2000114.3R122R122-L124 PolarHBondContact O-N 3.34Å
125F48.1Very low47.6Very low134 Ų134126.8 Ų126.859%0.58865%0.651SS**EExtended strand (participates in β ladder)trans-152.5132.4179.3-70.6-78.6000113.2I127F125-I127 HydrophobicContact CB-CD1 4.35Å; F125-I127 HydrophobicContact CB-CG1 3.83Å; F125-I127 PolarHBondContact O-N 3.03Å
126L47Very low47.6Very low126 Ų126129.8 Ų129.866%0.6666%0.661SS**EExtended strand (participates in β ladder)trans-84.187.3158.9-79.3167.4000107.4T112 L114 L128T112-L126 HydrophobicContact CG2-CD2 3.74Å; L114-L126 HydrophobicContact CD2-CD2 4.2Å; L126-L128 PolarHBondContact O-N 3.38Å
127I45.5Very low48Very low99 Ų99127.4 Ų127.451%0.50866%0.664SS.*  trans-86.4106.1170.5-55.6-178000106.9F125 C129F125-I127 HydrophobicContact CB-CD1 4.35Å; F125-I127 HydrophobicContact CB-CG1 3.83Å; F125-I127 PolarHBondContact O-N 3.03Å; I127-C129 PolarHBondContact O-N 2.87Å; I127-C129 VanDerWaalsContact O-N 3.07Å
128L42.5Very low48.2Very low156 Ų156132 Ų13282%0.81769%0.687SS**  trans-61.8102156-90.4145.3000106.4L126L126-L128 PolarHBondContact O-N 3.38Å
129C31.9Very low47.9Very low80 Ų80136 Ų13654%0.54167%0.673SS.*  trans-73.8132169.2-152.50000107.6I127I127-C129 PolarHBondContact O-N 2.87Å; I127-C129 VanDerWaalsContact O-N 3.07Å
130P46.4Very low47.4Very low192 Ų192131.9 Ų131.9100%1.24766%0.662SS**  trans-65.9017728.7-35000113.2

Retrieved 130 of 130 residues in 295.4 ms (Link to these results)