A0A077ZEJ5_TRITR Loading...

Hint module superfamily

AlphaFold DB , UniProt , Accession A0A077ZEJ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 311 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
1M40.8Very low42.9Very low229 Ų229135.8 Ų135.8100%1.12878%0.779SS**  098.20-74170.5141.100106.6
2Q36Very low42.9Very low174 Ų174130.8 Ų130.881%0.81376%0.755SS**  66.6116.7108-102.8162.2-30.800111
3Q42.9Very low43.2Very low187 Ų187132.1 Ų132.187%0.87475%0.747SS**  cis-148.9135.225.8-72.6163.3-22.200109.4
4G35.8Very low43.8Very low62 Ų62128.3 Ų128.364%0.63973%0.727SS**  trans-107.1170.3169.400000111.6
5H41.8Very low44Very low190 Ų190126.5 Ų126.588%0.8871%0.714SS**  trans76.777.8155.6-57.8-74.9000119.6
6V48.7Very low44.3Very low141 Ų141125.1 Ų125.186%0.85570%0.704SS**SBendtrans-154.230.4144.4-150.20000115.3
7V44.9Very low44.8Very low121 Ų121123.9 Ų123.973%0.73370%0.695SS**SBendtrans-125.4-12.5-179.2-1650000114.7
8A43.3Very low45Very low94 Ų94120.6 Ų120.678%0.77768%0.68SS**SBendtrans-90.5-6.8-173.700000115.6
9A47.8Very low45.1Very low79 Ų79121.8 Ų121.865%0.65368%0.678SS**SBendtrans-101.2-6.8-173.800000115
10V47.1Very low45.3Very low98 Ų98123.8 Ų123.859%0.59468%0.675SS**SBendtrans-90.9-30.4-177.6-172.50000112.1F13 V14V10-F13 PolarHBondContact O-N 3.4Å; V10-V14 HydrophobicContact CG1-CG2 4.19Å; V10-V14 VanDerWaalsContact O-CG2 3.31Å; V10-V14 WeakPolarHBondContact O-CG2 3.3Å; V10-V14 PolarHBondContact O-N 3.45Å
11L42.5Very low45.5Very low119 Ų119120.4 Ų120.462%0.62366%0.664SS**Hα-helixtrans-62.7-41.9177.4-91.695.2000115.5F13 L15L11-F13 VanDerWaalsContact C-N 3.3Å; L11-F13 PolarHBondContact O-N 2.86Å; L11-L15 WeakPolarHBondContact O-CG 3.41Å; L11-L15 PolarHBondContact O-N 3.3Å; L11-L15 VanDerWaalsContact O-N 3.15Å
12P43.3Very low45.9Very low75 Ų75114.5 Ų114.549%0.48764%0.637SS.*Hα-helixtrans-72.6-25.6-17926.7-31.6000112.4L16P12-L16 PolarHBondContact O-N 3.33Å; P12-L16 VanDerWaalsContact O-N 3.14Å
13F47Very low46.6Very low148 Ų148110.1 Ų110.165%0.64962%0.622SS**Hα-helixtrans-77.9-34.8178.2-146.6-95.6000112.2V10 L11 L17V10-F13 PolarHBondContact O-N 3.4Å; L11-F13 VanDerWaalsContact C-N 3.3Å; L11-F13 PolarHBondContact O-N 2.86Å; F13-L17 HydrophobicContact CD1-CD1 3.79Å; F13-L17 HydrophobicContact CD1-CG 4.5Å; F13-L17 HydrophobicContact CE1-CD1 4Å; F13-L17 WeakPolarHBondContact O-CG 3.49Å; F13-L17 PolarHBondContact O-N 3.04Å; F13-L17 VanDerWaalsContact O-N 3.11Å
14V51.6Low47Very low79 Ų79105.5 Ų105.548%0.47961%0.606SS.*Hα-helixtrans-69.7-39.9174.2175.10000111.1V10 L17 C18V10-V14 HydrophobicContact CG1-CG2 4.19Å; V10-V14 VanDerWaalsContact O-CG2 3.31Å; V10-V14 WeakPolarHBondContact O-CG2 3.3Å; V10-V14 PolarHBondContact O-N 3.45Å; V14-L17 PolarHBondContact O-N 2.85Å; V14-C18 PolarHBondContact O-N 3.25Å; V14-C18 PolarHBondContact O-SG 3.37Å
15L46.5Very low47.6Very low101 Ų101107.8 Ų107.853%0.52960%0.604SS.*Hα-helixtrans-66.3-40.1175.5-75.7165.8000112.2L11 C18 F19L11-L15 WeakPolarHBondContact O-CG 3.41Å; L11-L15 PolarHBondContact O-N 3.3Å; L11-L15 VanDerWaalsContact O-N 3.15Å; L15-C18 PolarHBondContact O-N 3.42Å; L15-F19 WeakPolarHBondContact O-CD2 3.48Å; L15-F19 PolarHBondContact O-N 3.22Å
16L49.5Very low47.9Very low104 Ų104101.3 Ų101.355%0.54558%0.583SS.*Hα-helixtrans-65-40.6176.5-130.894.4000111.9P12 C18 F19 Y20P12-L16 PolarHBondContact O-N 3.33Å; P12-L16 VanDerWaalsContact O-N 3.14Å; L16-C18 VanDerWaalsContact C-N 3.34Å; L16-F19 PolarHBondContact O-N 2.69Å; L16-Y20 HydrophobicContact CD2-CD2 4.31Å; L16-Y20 HydrophobicContact CD2-CE2 3.85Å; L16-Y20 HydrophobicContact CG-CD2 4.44Å; L16-Y20 HydrophobicContact CG-CE2 4.28Å; L16-Y20 VanDerWaalsContact O-CD2 3.3Å; L16-Y20 WeakPolarHBondContact O-CD2 3.24Å; L16-Y20 PolarHBondContact O-N 2.67Å
17L51.5Low48Very low106 Ų106101.3 Ų101.356%0.55557%0.573SS**Hα-helixtrans-65.9-34.8175.9-79.7164.2000112.4F13 V14 A21F13-L17 HydrophobicContact CD1-CD1 3.79Å; F13-L17 HydrophobicContact CD1-CG 4.5Å; F13-L17 HydrophobicContact CE1-CD1 4Å; F13-L17 WeakPolarHBondContact O-CG 3.49Å; F13-L17 PolarHBondContact O-N 3.04Å; F13-L17 VanDerWaalsContact O-N 3.11Å; V14-L17 PolarHBondContact O-N 2.85Å; L17-A21 VanDerWaalsContact O-CB 3.28Å; L17-A21 WeakPolarHBondContact O-CB 3.3Å; L17-A21 PolarHBondContact O-N 3.02Å
18C49.3Very low48.3Very low64 Ų6499.3 Ų99.343%0.43257%0.569SS.*Hα-helixtrans-63.5-44.9170.7-69.90000111.6V14 L15 L16 Y20 A21 D22V14-C18 PolarHBondContact O-N 3.25Å; V14-C18 PolarHBondContact O-SG 3.37Å; L15-C18 PolarHBondContact O-N 3.42Å; L16-C18 VanDerWaalsContact C-N 3.34Å; C18-Y20 PolarHBondContact O-N 2.02Å; C18-A21 PolarHBondContact O-N 2.7Å; C18-D22 WeakPolarHBondContact O-CB 3.32Å; C18-D22 PolarHBondContact O-N 3.45Å
19F46.3Very low49Very low144 Ų14499.7 Ų99.763%0.63256%0.558SS**Hα-helixtrans-64.8-37.7177.7-92.1-83.3000113.2L15 L16 V23L15-F19 WeakPolarHBondContact O-CD2 3.48Å; L15-F19 PolarHBondContact O-N 3.22Å; L16-F19 PolarHBondContact O-N 2.69Å; F19-V23 VanDerWaalsContact O-CG2 3.24Å; F19-V23 WeakPolarHBondContact O-CG2 3.27Å; F19-V23 PolarHBondContact O-N 2.53Å; F19-V23 VanDerWaalsContact O-N 3.1Å
20Y49.2Very low50.3Low161 Ų161100 Ų10063%0.63155%0.552SS**Hα-helixtrans-72.7-36.4175.3-85.4-79.6000112.4L16 C18 V23 T24L16-Y20 HydrophobicContact CD2-CD2 4.31Å; L16-Y20 HydrophobicContact CD2-CE2 3.85Å; L16-Y20 HydrophobicContact CG-CD2 4.44Å; L16-Y20 HydrophobicContact CG-CE2 4.28Å; L16-Y20 VanDerWaalsContact O-CD2 3.3Å; L16-Y20 WeakPolarHBondContact O-CD2 3.24Å; L16-Y20 PolarHBondContact O-N 2.67Å; C18-Y20 PolarHBondContact O-N 2.02Å; Y20-V23 PolarHBondContact O-N 2.87Å; Y20-T24 WeakPolarHBondContact O-CG2 3.43Å; Y20-T24 PolarHBondContact O-N 3.44Å; Y20-T24 PolarHBondContact O-OG1 3.24Å; Y20-T24 VanDerWaalsContact O-OG1 3.11Å
21A50.7Low52Low53 Ų5396 Ų9644%0.43853%0.528SS..Hα-helixtrans-62.8-43.217300000111.2L17 C18 V23 T24 L25L17-A21 VanDerWaalsContact O-CB 3.28Å; L17-A21 WeakPolarHBondContact O-CB 3.3Å; L17-A21 PolarHBondContact O-N 3.02Å; C18-A21 PolarHBondContact O-N 2.7Å; A21-V23 PolarHBondContact O-N 3.22Å; A21-T24 PolarHBondContact O-N 3.36Å; A21-T24 PolarHBondContact O-OG1 3.36Å; A21-L25 VanDerWaalsContact O-CB 3.27Å; A21-L25 WeakPolarHBondContact O-CB 3.31Å; A21-L25 PolarHBondContact O-N 3.17Å
22D49.4Very low54Low104 Ų10494.7 Ų94.756%0.55653%0.527SS*.Hα-helixtrans-65.5-37.5177.8-75.7-32.4000112.8C18 A26C18-D22 WeakPolarHBondContact O-CB 3.32Å; C18-D22 PolarHBondContact O-N 3.45Å; D22-A26 WeakPolarHBondContact O-CB 3.47Å; D22-A26 PolarHBondContact O-N 3.33Å
23V50.5Low55.9Low83 Ų83100 Ų10050%0.50355%0.545SS..Hα-helixtrans-72.4-38.7178.5173.70000111.7F19 Y20 A21 A26 Q27F19-V23 VanDerWaalsContact O-CG2 3.24Å; F19-V23 WeakPolarHBondContact O-CG2 3.27Å; F19-V23 PolarHBondContact O-N 2.53Å; F19-V23 VanDerWaalsContact O-N 3.1Å; Y20-V23 PolarHBondContact O-N 2.87Å; A21-V23 PolarHBondContact O-N 3.22Å; V23-A26 PolarHBondContact O-N 2.9Å; V23-Q27 WeakPolarHBondContact O-CG 3.33Å; V23-Q27 PolarHBondContact O-N 3.11Å; V23-Q27 VanDerWaalsContact O-N 3.17Å
24T50.5Low57.8Low89 Ų8993.7 Ų93.755%0.54652%0.517SS..Hα-helixtrans-70.2-33.4175.158.50000112.6Y20 A21 A28Y20-T24 WeakPolarHBondContact O-CG2 3.43Å; Y20-T24 PolarHBondContact O-N 3.44Å; Y20-T24 PolarHBondContact O-OG1 3.24Å; Y20-T24 VanDerWaalsContact O-OG1 3.11Å; A21-T24 PolarHBondContact O-N 3.36Å; A21-T24 PolarHBondContact O-OG1 3.36Å; T24-A28 PolarHBondContact O-N 3.05Å
25L49.4Very low59.2Low111 Ų11195.4 Ų95.458%0.58153%0.528SS*.Hα-helixtrans-73.9-35175.5-155.573.5000111.7A21 A28 L29A21-L25 VanDerWaalsContact O-CB 3.27Å; A21-L25 WeakPolarHBondContact O-CB 3.31Å; A21-L25 PolarHBondContact O-N 3.17Å; L25-A28 PolarHBondContact O-N 3.44Å; L25-L29 WeakPolarHBondContact O-CD1 3.5Å; L25-L29 PolarHBondContact O-N 3.44Å
26A47.4Very low61Low53 Ų5392.6 Ų92.644%0.43852%0.523SS..Hα-helixtrans-66.8-33.6174.800000112.8D22 V23 A28 L29D22-A26 WeakPolarHBondContact O-CB 3.47Å; D22-A26 PolarHBondContact O-N 3.33Å; V23-A26 PolarHBondContact O-N 2.9Å; A26-A28 VanDerWaalsContact C-N 3.33Å; A26-L29 PolarHBondContact O-N 3.48Å
27Q49.5Very low62.9Low141 Ų14193.8 Ų93.866%0.65954%0.535SS*.Hα-helixtrans-71.3-29173.5-72.1-177.4-45.300112.5V23 L29 T30V23-Q27 WeakPolarHBondContact O-CG 3.33Å; V23-Q27 PolarHBondContact O-N 3.11Å; V23-Q27 VanDerWaalsContact O-N 3.17Å; Q27-L29 PolarHBondContact O-N 3.01Å; Q27-T30 PolarHBondContact O-OG1 3.48Å
28A52.4Low64.7Low79 Ų7991.3 Ų91.365%0.65352%0.52SS*.THydrogen-bonded Turntrans-74.5-8.7174.100000114.1T24 L25 A26T24-A28 PolarHBondContact O-N 3.05Å; L25-A28 PolarHBondContact O-N 3.44Å; A26-A28 VanDerWaalsContact C-N 3.33Å
29L58.7Low66.7Low103 Ų10392.7 Ų92.754%0.53953%0.53SS..THydrogen-bonded Turntrans-96.90.6-178.4-82.1155.8000113.9L25 A26 Q27 R75L25-L29 WeakPolarHBondContact O-CD1 3.5Å; L25-L29 PolarHBondContact O-N 3.44Å; A26-L29 PolarHBondContact O-N 3.48Å; Q27-L29 PolarHBondContact O-N 3.01Å; L29-R75 WeakPolarHBondContact O-CD 3.17Å
30T73.3Confident68.8Low84 Ų8486.4 Ų86.452%0.51550%0.503SS..  trans-121.6147.6-177.963.60000110.9Q27 P32Q27-T30 PolarHBondContact O-OG1 3.48Å; T30-P32 WeakPolarHBondContact O-CD 3.4Å
31C84.5Confident70.5Confident14 Ų1484.7 Ų84.710%0.09551%0.509CS..  trans-108.675.7177.8-68.30000109.7E33 E34 C71 T72C31-E33 PolarHBondContact O-N 3.1Å; C31-E34 HydrophobicContact CB-CB 4.17Å; C31-E34 HydrophobicContact CB-CG 4.39Å; C31-E34 PolarHBondContact O-N 3.32Å; C31-C71 VanDerWaalsContact CA-SG 3.53Å; C31-C71 HydrophobicContact CB-CB 3.74Å; C31-C71 WeakPolarHBondContact CB-SG 3.37Å; C31-C71 WeakPolarHBondContact SG-CB 3Å; C31-C71 PolarHBondContact SG-O 3.42Å; C31-C71 CovalentContact SG-SG 2.05Å; C31-C71 PolarHBondContact SG-SG 2.9Å; C31-T72 PolarHBondContact SG-N 3.44Å
32P83.4Confident71.8Confident92 Ų9285.6 Ų85.660%0.59750%0.504SS*.G310 helixtrans-61.8-29.6-17224.4-34.6000113.2T30 E34 V35T30-P32 WeakPolarHBondContact O-CD 3.4Å; P32-E34 PolarHBondContact O-N 2.94Å; P32-V35 WeakPolarHBondContact O-CB 3.05Å; P32-V35 WeakPolarHBondContact O-CG2 3.49Å; P32-V35 PolarHBondContact O-N 3.32Å
33E83.1Confident73.3Confident188 Ų18890.1 Ų90.188%0.87951%0.513SS*.G310 helixtrans-71.5-15.3178.3-60-175.9165.300113.5C31C31-E33 PolarHBondContact O-N 3.1Å
34E87.7Confident74.6Confident14 Ų1490.9 Ų90.97%0.06551%0.511CS..G310 helixtrans-102.30.1-178.5-68.3179.7175.700113.2C31 P32 G36 C51 C69 P70 C71 T72C31-E34 HydrophobicContact CB-CB 4.17Å; C31-E34 HydrophobicContact CB-CG 4.39Å; C31-E34 PolarHBondContact O-N 3.32Å; P32-E34 PolarHBondContact O-N 2.94Å; E34-G36 PolarHBondContact O-N 3.11Å; E34-C51 HydrophobicContact CB-CB 4.25Å; E34-C69 VanDerWaalsContact OE1-CA 3.22Å; E34-C69 WeakPolarHBondContact OE1-CA 3.49Å; E34-P70 WeakPolarHBondContact OE1-CD 2.97Å; E34-C71 WeakPolarHBondContact OE1-CA 3.07Å; E34-C71 WeakPolarHBondContact OE1-CB 3.22Å; E34-C71 PolarHBondContact OE1-N 3.46Å; E34-T72 PolarHBondContact OE1-N 2.96Å; E34-T72 WeakPolarHBondContact OE2-CA 3.33Å; E34-T72 WeakPolarHBondContact OE2-CB 3.44Å; E34-T72 PolarHBondContact OE2-N 3.25Å; E34-T72 PolarHBondContact OE2-OG1 3.02Å
35V80.9Confident76.2Confident115 Ų11586.6 Ų86.670%0.69749%0.485SS*.  trans-67.9119.1178.5178.90000109.3P32P32-V35 WeakPolarHBondContact O-CB 3.05Å; P32-V35 WeakPolarHBondContact O-CG2 3.49Å; P32-V35 PolarHBondContact O-N 3.32Å
36G84.5Confident78Confident42 Ų4286 Ų8643%0.43349%0.486SS..SBendtrans144.7174.6179.500000112.6E34 K38E34-G36 PolarHBondContact O-N 3.11Å; G36-K38 PolarHBondContact O-N 3.42Å
37T89.1Confident79.8Confident130 Ų13087.5 Ų87.580%0.79849%0.493SS*.  trans-71.5126.9176.6-52.30000110.3T49T37-T49 CarbonylContact C-O 3.56Å; T37-T49 VanDerWaalsContact CA-O 3.3Å; T37-T49 WeakPolarHBondContact CA-O 3.5Å
38K89.9Confident81.8Confident54 Ų5482.2 Ų82.224%0.23547%0.468CS..  trans-106.4143.2171.3-60.8-68.7178.2158.30109.1G36 F40 T49 C51 K68G36-K38 PolarHBondContact O-N 3.42Å; K38-F40 HydrophobicContact CB-CD2 4.46Å; K38-F40 HydrophobicContact CB-CE2 3.68Å; K38-F40 HydrophobicContact CB-CZ 3.86Å; K38-F40 HydrophobicContact CG-CZ 4.49Å; K38-T49 PolarHBondContact N-O 2.76Å; K38-T49 CarbonylContact O-C 3.57Å; K38-T49 WeakPolarHBondContact O-CA 3.03Å; K38-C51 VanDerWaalsContact CE-SG 3.51Å; K38-K68 PolarHBondContact NZ-O 2.85Å
39S90.4Very high83.6Confident92 Ų9282.4 Ų82.464%0.64346%0.461SS*.  trans-111.8140.3166.260.40000108.1K68S39-K68 WeakPolarHBondContact O-CD 3.38Å; S39-K68 WeakPolarHBondContact O-CE 3.49Å; S39-K68 PolarHBondContact O-NZ 3.1Å
40F89.8Confident85.2Confident12 Ų1278.7 Ų78.75%0.05344%0.444CS..  trans-121.6144175.1-56.9-92.5000109.6K38 L45 K48 L54 E64 K68K38-F40 HydrophobicContact CB-CD2 4.46Å; K38-F40 HydrophobicContact CB-CE2 3.68Å; K38-F40 HydrophobicContact CB-CZ 3.86Å; K38-F40 HydrophobicContact CG-CZ 4.49Å; F40-L45 HydrophobicContact CB-CB 3.35Å; F40-L45 HydrophobicContact CB-CD1 4.33Å; F40-L45 HydrophobicContact CB-CG 4.5Å; F40-L45 HydrophobicContact CD1-CB 3.95Å; F40-L45 HydrophobicContact CD1-CD1 3.54Å; F40-L45 HydrophobicContact CD1-CG 4.39Å; F40-L45 HydrophobicContact CD2-CB 4.12Å; F40-L45 HydrophobicContact CE1-CD1 4.04Å; F40-L45 HydrophobicContact CG-CB 3.56Å; F40-L45 HydrophobicContact CG-CD1 4.06Å; F40-L45 HydrophobicContact CG-CG 4.47Å; F40-K48 HydrophobicContact CD2-CB 3.83Å; F40-K48 WeakPolarHBondContact CD2-O 3.2Å; F40-K48 HydrophobicContact CE2-CB 3.72Å; F40-L54 HydrophobicContact CE1-CD2 4.43Å; F40-L54 HydrophobicContact CZ-CD1 4.43Å; F40-L54 HydrophobicContact CZ-CD2 4.2Å; F40-E64 VanDerWaalsContact CA-OE1 3.27Å; F40-E64 WeakPolarHBondContact CA-OE1 3.06Å; F40-E64 HydrophobicContact CD1-CG 4.09Å; F40-K68 HydrophobicContact CD1-CB 4.46Å; F40-K68 HydrophobicContact CD1-CD 3.77Å; F40-K68 HydrophobicContact CE1-CB 3.86Å; F40-K68 HydrophobicContact CE1-CD 3.99Å; F40-K68 HydrophobicContact CE1-CG 4.47Å
41V86Confident86.2Confident126 Ų12674.9 Ų74.976%0.76442%0.42SS*.  trans-94.4-31.9-176.9-176.10000110.1E64V41-E64 VanDerWaalsContact N-CD 3.31Å; V41-E64 PolarHBondContact N-OE1 3.14Å; V41-E64 PolarHBondContact N-OE2 3.42Å; V41-E64 VanDerWaalsContact N-OE2 3.08Å
42Q77.5Confident86.5Confident72 Ų7281.7 Ų81.734%0.33645%0.451SS..SBendtrans-67.7136.9178.3-72.1-167.3-1.200111.3Q44 L45 V46 E64Q42-Q44 PolarHBondContact O-N 3.15Å; Q42-Q44 VanDerWaalsContact O-N 3.13Å; Q42-L45 PolarHBondContact O-N 3.2Å; Q42-V46 PolarHBondContact O-N 3.44Å; Q42-E64 VanDerWaalsContact CB-OE2 3.23Å; Q42-E64 WeakPolarHBondContact CB-OE2 3.17Å; Q42-E64 HydrophobicContact CG-CB 4.21Å; Q42-E64 VanDerWaalsContact CG-OE2 3.27Å; Q42-E64 WeakPolarHBondContact CG-OE2 3.23Å; Q42-E64 PolarHBondContact N-OE2 2.87Å
43R80.7Confident86.9Confident198 Ų19881 Ų8175%0.74744%0.441SS*.THydrogen-bonded Turntrans-55.5-34.3-175.6-170.5179.6-172148.42.2112.7L45 V46R43-L45 VanDerWaalsContact C-N 3.3Å; R43-L45 PolarHBondContact O-N 3.44Å; R43-V46 WeakPolarHBondContact O-CG1 3.34Å
44Q78Confident87.2Confident99 Ų9972.5 Ų72.546%0.46340%0.401SS..THydrogen-bonded Turntrans-70.3-24.1178.7-59.495.9-43.300113.2Q42 I62Q42-Q44 PolarHBondContact O-N 3.15Å; Q42-Q44 VanDerWaalsContact O-N 3.13Å; Q44-I62 HydrophobicContact CB-CD1 3.75Å; Q44-I62 HydrophobicContact CG-CD1 4.41Å
45L84.7Confident87.3Confident0 Ų074.7 Ų74.70%042%0.416CS..THydrogen-bonded Turntrans-112.2-6.6-175-60.5-177.1000113.6F40 Q42 R43 S47 K48 L54 E58 I62 E64 A65F40-L45 HydrophobicContact CB-CB 3.35Å; F40-L45 HydrophobicContact CB-CD1 4.33Å; F40-L45 HydrophobicContact CB-CG 4.5Å; F40-L45 HydrophobicContact CD1-CB 3.95Å; F40-L45 HydrophobicContact CD1-CD1 3.54Å; F40-L45 HydrophobicContact CD1-CG 4.39Å; F40-L45 HydrophobicContact CD2-CB 4.12Å; F40-L45 HydrophobicContact CE1-CD1 4.04Å; F40-L45 HydrophobicContact CG-CB 3.56Å; F40-L45 HydrophobicContact CG-CD1 4.06Å; F40-L45 HydrophobicContact CG-CG 4.47Å; Q42-L45 PolarHBondContact O-N 3.2Å; R43-L45 VanDerWaalsContact C-N 3.3Å; R43-L45 PolarHBondContact O-N 3.44Å; L45-S47 PolarHBondContact O-N 3.05Å; L45-K48 HydrophobicContact CB-CG 4.46Å; L45-K48 HydrophobicContact CD2-CG 4.31Å; L45-K48 VanDerWaalsContact O-CB 3.24Å; L45-K48 WeakPolarHBondContact O-CB 3.46Å; L45-K48 WeakPolarHBondContact O-CG 3.39Å; L45-K48 PolarHBondContact O-N 3Å; L45-L54 HydrophobicContact CD1-CD2 4.44Å; L45-L54 HydrophobicContact CD2-CD2 3.71Å; L45-E58 HydrophobicContact CD2-CB 4.11Å; L45-E58 HydrophobicContact CD2-CG 3.88Å; L45-I62 HydrophobicContact CD1-CB 4.42Å; L45-I62 HydrophobicContact CD1-CD1 4.4Å; L45-I62 HydrophobicContact CD1-CG2 3.56Å; L45-I62 HydrophobicContact CD2-CD1 3.8Å; L45-I62 HydrophobicContact CG-CD1 3.95Å; L45-I62 HydrophobicContact CG-CG2 4.2Å; L45-E64 HydrophobicContact CD1-CB 4.28Å; L45-A65 HydrophobicContact CD1-CB 3.86Å
46V85.9Confident87.6Confident97 Ų9773.5 Ų73.559%0.58840%0.399SS*.THydrogen-bonded Turntrans-59-24-173.174.40000114Q42 R43Q42-V46 PolarHBondContact O-N 3.44Å; R43-V46 WeakPolarHBondContact O-CG1 3.34Å
47S86.8Confident87.6Confident86 Ų8674.3 Ų74.360%0.60139%0.393SS*.THydrogen-bonded Turntrans-83.6-9.2175.759.20000114L45L45-S47 PolarHBondContact O-N 3.05Å
48K89.9Confident87.6Confident30 Ų3069.5 Ų69.513%0.1336%0.362CS..  trans-88.2128.8-177.9-50.4-72.7-178.6147.10109.2F40 L45 M53 E58F40-K48 HydrophobicContact CD2-CB 3.83Å; F40-K48 WeakPolarHBondContact CD2-O 3.2Å; F40-K48 HydrophobicContact CE2-CB 3.72Å; L45-K48 HydrophobicContact CB-CG 4.46Å; L45-K48 HydrophobicContact CD2-CG 4.31Å; L45-K48 VanDerWaalsContact O-CB 3.24Å; L45-K48 WeakPolarHBondContact O-CB 3.46Å; L45-K48 WeakPolarHBondContact O-CG 3.39Å; L45-K48 PolarHBondContact O-N 3Å; K48-M53 HydrophobicContact CB-CB 4.29Å; K48-M53 HydrophobicContact CD-CB 3.65Å; K48-M53 HydrophobicContact CD-CE 4.24Å; K48-M53 WeakPolarHBondContact CD-O 3.49Å; K48-M53 PolarHBondContact NZ-O 3.48Å; K48-E58 WeakPolarHBondContact CE-OE1 3.46Å; K48-E58 WeakPolarHBondContact CE-OE2 3.44Å; K48-E58 VanDerWaalsContact NZ-CD 3.34Å; K48-E58 IonicContact NZ-OE1 2.79Å; K48-E58 PolarHBondContact NZ-OE1 2.91Å; K48-E58 IonicContact NZ-OE2 3.04Å; K48-E58 PolarHBondContact NZ-OE2 2.77Å
49T91.1Very high87.7Confident83 Ų8367 Ų6751%0.50935%0.351SS..  trans-111.4-0.2-179.356.10000113.5T37 K38 M53T37-T49 CarbonylContact C-O 3.56Å; T37-T49 VanDerWaalsContact CA-O 3.3Å; T37-T49 WeakPolarHBondContact CA-O 3.5Å; K38-T49 PolarHBondContact N-O 2.76Å; K38-T49 CarbonylContact O-C 3.57Å; K38-T49 WeakPolarHBondContact O-CA 3.03Å; T49-M53 PolarHBondContact N-SD 3.08Å; T49-M53 PolarHBondContact OG1-SD 3.04Å; T49-M53 VanDerWaalsContact OG1-SD 3.4Å
50S93.3Very high87.6Confident25 Ų2565.7 Ų65.718%0.17534%0.336CS..SBendtrans-153.9161.2175.371.90000111.3E52 M53S50-E52 PolarHBondContact O-N 2.79Å; S50-M53 PolarHBondContact O-N 2.79Å
51C93.9Very high87.3Confident3 Ų372.3 Ų72.32%0.0237%0.365CS..G310 helixtrans-63.6-28.8174.9-64.40000112.7E34 K38 M53 L54 C69 T72E34-C51 HydrophobicContact CB-CB 4.25Å; K38-C51 VanDerWaalsContact CE-SG 3.51Å; C51-M53 PolarHBondContact O-N 3.05Å; C51-L54 VanDerWaalsContact O-CB 3.31Å; C51-L54 WeakPolarHBondContact O-CB 3.23Å; C51-L54 WeakPolarHBondContact O-CG 3.37Å; C51-L54 PolarHBondContact O-N 3.21Å; C51-C69 WeakPolarHBondContact CA-SG 3.04Å; C51-C69 HydrophobicContact CB-CB 3.58Å; C51-C69 WeakPolarHBondContact CB-SG 3.23Å; C51-C69 WeakPolarHBondContact SG-CB 3.1Å; C51-C69 CovalentContact SG-SG 2.02Å; C51-C69 PolarHBondContact SG-SG 2.05Å; C51-T72 HydrophobicContact CB-CG2 4.25Å; C51-T72 WeakPolarHBondContact O-CG2 3.41Å
52E90.2Very high87.3Confident158 Ų15866.9 Ų66.974%0.73833%0.332SS*.G310 helixtrans-65.3-19.5178.3-61.5179.2166.700113.2S50 L54S50-E52 PolarHBondContact O-N 2.79Å; E52-L54 VanDerWaalsContact C-N 3.3Å
53M90.7Very high87.9Confident77 Ų7768.9 Ų68.938%0.37934%0.341SS..G310 helixtrans-82.5-7.2175.7-61.2175.271.800113.1K48 T49 S50 C51K48-M53 HydrophobicContact CB-CB 4.29Å; K48-M53 HydrophobicContact CD-CB 3.65Å; K48-M53 HydrophobicContact CD-CE 4.24Å; K48-M53 WeakPolarHBondContact CD-O 3.49Å; K48-M53 PolarHBondContact NZ-O 3.48Å; T49-M53 PolarHBondContact N-SD 3.08Å; T49-M53 PolarHBondContact OG1-SD 3.04Å; T49-M53 VanDerWaalsContact OG1-SD 3.4Å; S50-M53 PolarHBondContact O-N 2.79Å; C51-M53 PolarHBondContact O-N 3.05Å
54L90.5Very high88.4Confident10 Ų1060.3 Ų60.35%0.05231%0.309CS..  trans-72.8138.2-178.8-67.1173.5000111.5F40 L45 C51 E52 E58 A65 C69 I76F40-L54 HydrophobicContact CE1-CD2 4.43Å; F40-L54 HydrophobicContact CZ-CD1 4.43Å; F40-L54 HydrophobicContact CZ-CD2 4.2Å; L45-L54 HydrophobicContact CD1-CD2 4.44Å; L45-L54 HydrophobicContact CD2-CD2 3.71Å; C51-L54 VanDerWaalsContact O-CB 3.31Å; C51-L54 WeakPolarHBondContact O-CB 3.23Å; C51-L54 WeakPolarHBondContact O-CG 3.37Å; C51-L54 PolarHBondContact O-N 3.21Å; E52-L54 VanDerWaalsContact C-N 3.3Å; L54-E58 VanDerWaalsContact CA-OE2 3.22Å; L54-E58 WeakPolarHBondContact CA-OE2 3.27Å; L54-E58 HydrophobicContact CD2-CB 4.31Å; L54-A65 HydrophobicContact CD1-CB 4.04Å; L54-A65 HydrophobicContact CD2-CB 3.94Å; L54-C69 HydrophobicContact CD1-CB 3.41Å; L54-C69 VanDerWaalsContact CD1-CB 3.41Å; L54-C69 WeakPolarHBondContact CD1-SG 3Å; L54-I76 WeakPolarHBondContact O-CD1 3.14Å
55T89.7Confident89Confident60 Ų6055.6 Ų55.637%0.36829%0.287SS..  trans-90.7166.8173.372.20000111.3D57 E58 C59T55-D57 VanDerWaalsContact C-N 3.31Å; T55-D57 PolarHBondContact O-N 3.46Å; T55-E58 PolarHBondContact N-OE2 2.69Å; T55-E58 PolarHBondContact O-N 2.96Å; T55-E58 VanDerWaalsContact OG1-CG 3.23Å; T55-E58 WeakPolarHBondContact OG1-CG 3.24Å; T55-E58 PolarHBondContact OG1-N 3.32Å; T55-E58 VanDerWaalsContact OG1-N 3.16Å; T55-C59 WeakPolarHBondContact O-CB 3.22Å; T55-C59 PolarHBondContact O-N 3.13Å
56R87.6Confident89.5Confident89 Ų8961 Ų6134%0.33631%0.308SS..Hα-helixtrans-59.3-42.9173.9-174.3178.5177.595.93.4111.9C59 L60 I76 V77R56-C59 CarbonylContact O-C 3.55Å; R56-C59 PolarHBondContact O-N 3.37Å; R56-L60 HydrophobicContact CG-CD1 3.86Å; R56-L60 HydrophobicContact CG-CG 4.29Å; R56-L60 WeakPolarHBondContact O-CB 3.34Å; R56-L60 VanDerWaalsContact O-CG 3.24Å; R56-L60 WeakPolarHBondContact O-CG 3.34Å; R56-L60 PolarHBondContact O-N 3.49Å; R56-I76 HydrophobicContact CB-CG2 3.54Å; R56-I76 HydrophobicContact CG-CG2 3.95Å; R56-I76 PolarHBondContact NH1-O 2.87Å; R56-V77 PolarHBondContact NH1-O 3.24Å; R56-V77 PolarHBondContact NH2-O 2.78Å; R56-V77 VanDerWaalsContact NH2-O 3.1Å
57D83.2Confident89.8Confident59 Ų5961.1 Ų61.132%0.31631%0.305SS..Hα-helixtrans-65.9-41179.3-62.6-36.1000111.3T55 C59 L60 F61T55-D57 VanDerWaalsContact C-N 3.31Å; T55-D57 PolarHBondContact O-N 3.46Å; D57-C59 VanDerWaalsContact C-N 3.32Å; D57-C59 PolarHBondContact O-N 3.43Å; D57-L60 PolarHBondContact O-N 3.48Å; D57-L60 VanDerWaalsContact O-N 3.14Å; D57-F61 HydrophobicContact CB-CD2 4.13Å; D57-F61 HydrophobicContact CB-CE2 4.42Å; D57-F61 WeakPolarHBondContact O-CB 3.32Å; D57-F61 WeakPolarHBondContact O-CD2 3.42Å; D57-F61 PolarHBondContact O-N 3.47Å
58E90.8Very high90.2Very high30 Ų3060 Ų6014%0.1429%0.29CS..Hα-helixtrans-60.8-43.2173.8-69.7163.3-178.800111L45 K48 L54 T55 L60 I62L45-E58 HydrophobicContact CD2-CB 4.11Å; L45-E58 HydrophobicContact CD2-CG 3.88Å; K48-E58 WeakPolarHBondContact CE-OE1 3.46Å; K48-E58 WeakPolarHBondContact CE-OE2 3.44Å; K48-E58 VanDerWaalsContact NZ-CD 3.34Å; K48-E58 IonicContact NZ-OE1 2.79Å; K48-E58 PolarHBondContact NZ-OE1 2.91Å; K48-E58 IonicContact NZ-OE2 3.04Å; K48-E58 PolarHBondContact NZ-OE2 2.77Å; L54-E58 VanDerWaalsContact CA-OE2 3.22Å; L54-E58 WeakPolarHBondContact CA-OE2 3.27Å; L54-E58 HydrophobicContact CD2-CB 4.31Å; T55-E58 PolarHBondContact N-OE2 2.69Å; T55-E58 PolarHBondContact O-N 2.96Å; T55-E58 VanDerWaalsContact OG1-CG 3.23Å; T55-E58 WeakPolarHBondContact OG1-CG 3.24Å; T55-E58 PolarHBondContact OG1-N 3.32Å; T55-E58 VanDerWaalsContact OG1-N 3.16Å; E58-L60 VanDerWaalsContact C-N 3.32Å; E58-L60 PolarHBondContact O-N 3.43Å; E58-I62 HydrophobicContact CB-CD1 4.18Å; E58-I62 HydrophobicContact CG-CD1 3.99Å; E58-I62 WeakPolarHBondContact O-CA 3.4Å; E58-I62 VanDerWaalsContact O-CB 3.26Å; E58-I62 WeakPolarHBondContact O-CB 3.08Å; E58-I62 PolarHBondContact O-N 2.99Å
59C92.1Very high90.4Very high2 Ų258.6 Ų58.61%0.01428%0.283CS..Hα-helixtrans-69.9-23.5175.5-77.90000114.6T55 R56 D57 R66 C73 V77T55-C59 WeakPolarHBondContact O-CB 3.22Å; T55-C59 PolarHBondContact O-N 3.13Å; R56-C59 CarbonylContact O-C 3.55Å; R56-C59 PolarHBondContact O-N 3.37Å; D57-C59 VanDerWaalsContact C-N 3.32Å; D57-C59 PolarHBondContact O-N 3.43Å; C59-R66 WeakPolarHBondContact O-CD 3.28Å; C59-R66 WeakPolarHBondContact O-CG 3.27Å; C59-C73 WeakPolarHBondContact CA-SG 3.46Å; C59-C73 HydrophobicContact CB-CB 3.45Å; C59-C73 VanDerWaalsContact CB-CB 3.45Å; C59-C73 WeakPolarHBondContact CB-SG 3.46Å; C59-C73 WeakPolarHBondContact SG-CA 3.31Å; C59-C73 WeakPolarHBondContact SG-CB 3.34Å; C59-C73 CovalentContact SG-SG 2.05Å; C59-C73 PolarHBondContact SG-SG 2.94Å; C59-V77 HydrophobicContact CB-CG2 4.23Å
60L86.9Confident90.6Very high64 Ų6458.2 Ų58.234%0.33528%0.283SS..Hα-helixtrans-84.2-42.5176.3-76.1171.7000112R56 D57 E58 V77R56-L60 HydrophobicContact CG-CD1 3.86Å; R56-L60 HydrophobicContact CG-CG 4.29Å; R56-L60 WeakPolarHBondContact O-CB 3.34Å; R56-L60 VanDerWaalsContact O-CG 3.24Å; R56-L60 WeakPolarHBondContact O-CG 3.34Å; R56-L60 PolarHBondContact O-N 3.49Å; D57-L60 PolarHBondContact O-N 3.48Å; D57-L60 VanDerWaalsContact O-N 3.14Å; E58-L60 VanDerWaalsContact C-N 3.32Å; E58-L60 PolarHBondContact O-N 3.43Å; L60-V77 HydrophobicContact CD2-CG1 4.06Å; L60-V77 HydrophobicContact CD2-CG2 3.82Å; L60-V77 HydrophobicContact CG-CG2 4.13Å
61F84.5Confident90.6Very high150 Ų15059.3 Ų59.366%0.65829%0.29SS*.Hα-helixtrans-109.9-17.4-165.1-60.2-66.6000114.2D57D57-F61 HydrophobicContact CB-CD2 4.13Å; D57-F61 HydrophobicContact CB-CE2 4.42Å; D57-F61 WeakPolarHBondContact O-CB 3.32Å; D57-F61 WeakPolarHBondContact O-CD2 3.42Å; D57-F61 PolarHBondContact O-N 3.47Å
62I85.7Confident90.6Very high12 Ų1259.4 Ų59.46%0.06229%0.29CS..  trans-104.2120.1-178.1-60.2174.1000111.3Q44 L45 E58 E64 A65 R66Q44-I62 HydrophobicContact CB-CD1 3.75Å; Q44-I62 HydrophobicContact CG-CD1 4.41Å; L45-I62 HydrophobicContact CD1-CB 4.42Å; L45-I62 HydrophobicContact CD1-CD1 4.4Å; L45-I62 HydrophobicContact CD1-CG2 3.56Å; L45-I62 HydrophobicContact CD2-CD1 3.8Å; L45-I62 HydrophobicContact CG-CD1 3.95Å; L45-I62 HydrophobicContact CG-CG2 4.2Å; E58-I62 HydrophobicContact CB-CD1 4.18Å; E58-I62 HydrophobicContact CG-CD1 3.99Å; E58-I62 WeakPolarHBondContact O-CA 3.4Å; E58-I62 VanDerWaalsContact O-CB 3.26Å; E58-I62 WeakPolarHBondContact O-CB 3.08Å; E58-I62 PolarHBondContact O-N 2.99Å; I62-E64 HydrophobicContact CG2-CB 4.19Å; I62-A65 HydrophobicContact CB-CB 4.14Å; I62-A65 HydrophobicContact CG2-CB 4.2Å; I62-A65 PolarHBondContact O-N 3.32Å; I62-R66 PolarHBondContact O-N 2.96Å
63H89.7Confident90.7Very high114 Ų11452 Ų5253%0.52826%0.256SS..Hα-helixtrans-63-43.1178.7-166.4-81.3000112A65 R66 D67H63-A65 VanDerWaalsContact C-N 3.3Å; H63-A65 PolarHBondContact O-N 3.26Å; H63-R66 PolarHBondContact O-N 3.46Å; H63-D67 VanDerWaalsContact CE1-CG 3.42Å; H63-D67 IonicContact CE1-OD1 2.69Å; H63-D67 PolarHBondContact CE1-OD1 3.41Å; H63-D67 IonicContact CE1-OD2 3.85Å; H63-D67 PolarHBondContact CE1-OD2 3.26Å; H63-D67 IonicContact CG-OD2 2.97Å; H63-D67 VanDerWaalsContact ND1-CG 3.29Å; H63-D67 IonicContact ND1-OD1 2.69Å; H63-D67 PolarHBondContact ND1-OD1 2.05Å; H63-D67 IonicContact ND1-OD2 2.77Å; H63-D67 PolarHBondContact ND1-OD2 2.95Å; H63-D67 IonicContact NE2-OD1 2.83Å; H63-D67 VanDerWaalsContact O-CG 3.31Å; H63-D67 PolarHBondContact O-N 2.85Å
64E92.1Very high90.8Very high18 Ų1854.9 Ų54.98%0.08427%0.268CS..Hα-helixtrans-63.4-34.6-179.1-170.3-177.3-167.100112.9F40 V41 Q42 L45 I62 D67 K68F40-E64 VanDerWaalsContact CA-OE1 3.27Å; F40-E64 WeakPolarHBondContact CA-OE1 3.06Å; F40-E64 HydrophobicContact CD1-CG 4.09Å; V41-E64 VanDerWaalsContact N-CD 3.31Å; V41-E64 PolarHBondContact N-OE1 3.14Å; V41-E64 PolarHBondContact N-OE2 3.42Å; V41-E64 VanDerWaalsContact N-OE2 3.08Å; Q42-E64 VanDerWaalsContact CB-OE2 3.23Å; Q42-E64 WeakPolarHBondContact CB-OE2 3.17Å; Q42-E64 HydrophobicContact CG-CB 4.21Å; Q42-E64 VanDerWaalsContact CG-OE2 3.27Å; Q42-E64 WeakPolarHBondContact CG-OE2 3.23Å; Q42-E64 PolarHBondContact N-OE2 2.87Å; L45-E64 HydrophobicContact CD1-CB 4.28Å; I62-E64 HydrophobicContact CG2-CB 4.19Å; E64-D67 PolarHBondContact O-N 3.45Å; E64-K68 HydrophobicContact CG-CD 3.92Å; E64-K68 HydrophobicContact CG-CG 4.28Å; E64-K68 WeakPolarHBondContact O-CB 3.31Å; E64-K68 WeakPolarHBondContact O-CG 3.37Å; E64-K68 PolarHBondContact O-N 2.88Å; E64-K68 VanDerWaalsContact OE1-CE 3.31Å; E64-K68 WeakPolarHBondContact OE1-CE 3.32Å; E64-K68 IonicContact OE1-NZ 2.69Å; E64-K68 PolarHBondContact OE1-NZ 3.04Å
65A90.7Very high90.8Very high0 Ų059 Ų590%028%0.283CS..Hα-helixtrans-61.4-48.8175.600000110.7L45 L54 I62 H63 D67 K68 C69L45-A65 HydrophobicContact CD1-CB 3.86Å; L54-A65 HydrophobicContact CD1-CB 4.04Å; L54-A65 HydrophobicContact CD2-CB 3.94Å; I62-A65 HydrophobicContact CB-CB 4.14Å; I62-A65 HydrophobicContact CG2-CB 4.2Å; I62-A65 PolarHBondContact O-N 3.32Å; H63-A65 VanDerWaalsContact C-N 3.3Å; H63-A65 PolarHBondContact O-N 3.26Å; A65-D67 VanDerWaalsContact C-N 3.35Å; A65-D67 PolarHBondContact O-N 3.26Å; A65-K68 PolarHBondContact O-N 3.01Å; A65-C69 WeakPolarHBondContact O-CA 3.23Å; A65-C69 VanDerWaalsContact O-CB 3.32Å; A65-C69 WeakPolarHBondContact O-CB 3.26Å; A65-C69 PolarHBondContact O-N 3.4Å
66R94Very high90.7Very high113 Ų11357.5 Ų57.543%0.42627%0.273SS..Hα-helixtrans-66.5-35.1178.4-71.1179.6-74177.3-2.1112.9C59 I62 H63 P70 C73C59-R66 WeakPolarHBondContact O-CD 3.28Å; C59-R66 WeakPolarHBondContact O-CG 3.27Å; I62-R66 PolarHBondContact O-N 2.96Å; H63-R66 PolarHBondContact O-N 3.46Å; R66-P70 WeakPolarHBondContact O-CA 3.41Å; R66-C73 HydrophobicContact CG-CB 4.23Å
67D93.3Very high90.7Very high101 Ų10155.6 Ų55.654%0.5427%0.271SS..Hα-helixtrans-69.2-41.8176.7-71-13.4000112.3H63 E64 A65H63-D67 VanDerWaalsContact CE1-CG 3.42Å; H63-D67 IonicContact CE1-OD1 2.69Å; H63-D67 PolarHBondContact CE1-OD1 3.41Å; H63-D67 IonicContact CE1-OD2 3.85Å; H63-D67 PolarHBondContact CE1-OD2 3.26Å; H63-D67 IonicContact CG-OD2 2.97Å; H63-D67 VanDerWaalsContact ND1-CG 3.29Å; H63-D67 IonicContact ND1-OD1 2.69Å; H63-D67 PolarHBondContact ND1-OD1 2.05Å; H63-D67 IonicContact ND1-OD2 2.77Å; H63-D67 PolarHBondContact ND1-OD2 2.95Å; H63-D67 IonicContact NE2-OD1 2.83Å; H63-D67 VanDerWaalsContact O-CG 3.31Å; H63-D67 PolarHBondContact O-N 2.85Å; E64-D67 PolarHBondContact O-N 3.45Å; A65-D67 VanDerWaalsContact C-N 3.35Å; A65-D67 PolarHBondContact O-N 3.26Å
68K94.2Very high90.6Very high62 Ų6256.7 Ų56.727%0.2728%0.283SS..Hα-helixtrans-88.1-22.3-175-70.9-171.9171.2173.70114.2K38 S39 F40 E64 A65K38-K68 PolarHBondContact NZ-O 2.85Å; S39-K68 WeakPolarHBondContact O-CD 3.38Å; S39-K68 WeakPolarHBondContact O-CE 3.49Å; S39-K68 PolarHBondContact O-NZ 3.1Å; F40-K68 HydrophobicContact CD1-CB 4.46Å; F40-K68 HydrophobicContact CD1-CD 3.77Å; F40-K68 HydrophobicContact CE1-CB 3.86Å; F40-K68 HydrophobicContact CE1-CD 3.99Å; F40-K68 HydrophobicContact CE1-CG 4.47Å; E64-K68 HydrophobicContact CG-CD 3.92Å; E64-K68 HydrophobicContact CG-CG 4.28Å; E64-K68 WeakPolarHBondContact O-CB 3.31Å; E64-K68 WeakPolarHBondContact O-CG 3.37Å; E64-K68 PolarHBondContact O-N 2.88Å; E64-K68 VanDerWaalsContact OE1-CE 3.31Å; E64-K68 WeakPolarHBondContact OE1-CE 3.32Å; E64-K68 IonicContact OE1-NZ 2.69Å; E64-K68 PolarHBondContact OE1-NZ 3.04Å; A65-K68 PolarHBondContact O-N 3.01Å
69C94.9Very high89.7Confident0 Ų058 Ų580%030%0.295CS..  trans-138.954.7-174.7-57.30000112.5E34 C51 L54 A65 C71 T72 C73E34-C69 VanDerWaalsContact OE1-CA 3.22Å; E34-C69 WeakPolarHBondContact OE1-CA 3.49Å; C51-C69 WeakPolarHBondContact CA-SG 3.04Å; C51-C69 HydrophobicContact CB-CB 3.58Å; C51-C69 WeakPolarHBondContact CB-SG 3.23Å; C51-C69 WeakPolarHBondContact SG-CB 3.1Å; C51-C69 CovalentContact SG-SG 2.02Å; C51-C69 PolarHBondContact SG-SG 2.05Å; L54-C69 HydrophobicContact CD1-CB 3.41Å; L54-C69 VanDerWaalsContact CD1-CB 3.41Å; L54-C69 WeakPolarHBondContact CD1-SG 3Å; A65-C69 WeakPolarHBondContact O-CA 3.23Å; A65-C69 VanDerWaalsContact O-CB 3.32Å; A65-C69 WeakPolarHBondContact O-CB 3.26Å; A65-C69 PolarHBondContact O-N 3.4Å; C69-C71 PolarHBondContact O-N 3.13Å; C69-T72 PolarHBondContact O-N 2.82Å; C69-C73 WeakPolarHBondContact O-CB 3.47Å; C69-C73 PolarHBondContact O-N 3.16Å; C69-C73 PolarHBondContact O-SG 3.47Å
70P94.2Very high87.9Confident76 Ų7663.6 Ų63.649%0.49433%0.332SS..Hα-helixtrans-58.4-45.1-176.224.9-35.7000114.3E34 R66 Q74E34-P70 WeakPolarHBondContact OE1-CD 2.97Å; R66-P70 WeakPolarHBondContact O-CA 3.41Å; P70-Q74 VanDerWaalsContact O-CB 3.23Å; P70-Q74 WeakPolarHBondContact O-CB 3.46Å; P70-Q74 PolarHBondContact O-N 2.9Å
71C94.1Very high86Confident48 Ų4869.3 Ų69.332%0.32436%0.357SS..Hα-helixtrans-66-48.2178.8173.60000111.1C31 E34 C69 C73 Q74 R75C31-C71 VanDerWaalsContact CA-SG 3.53Å; C31-C71 HydrophobicContact CB-CB 3.74Å; C31-C71 WeakPolarHBondContact CB-SG 3.37Å; C31-C71 WeakPolarHBondContact SG-CB 3Å; C31-C71 PolarHBondContact SG-O 3.42Å; C31-C71 CovalentContact SG-SG 2.05Å; C31-C71 PolarHBondContact SG-SG 2.9Å; E34-C71 WeakPolarHBondContact OE1-CA 3.07Å; E34-C71 WeakPolarHBondContact OE1-CB 3.22Å; E34-C71 PolarHBondContact OE1-N 3.46Å; C69-C71 PolarHBondContact O-N 3.13Å; C71-C73 VanDerWaalsContact C-N 3.31Å; C71-C73 PolarHBondContact O-N 3.21Å; C71-Q74 PolarHBondContact O-N 3.26Å; C71-R75 WeakPolarHBondContact O-CB 3.43Å; C71-R75 PolarHBondContact O-N 2.97Å
72T92.8Very high83.6Confident4 Ų465.4 Ų65.43%0.02535%0.352CS..Hα-helixtrans-62.6-43-179.6-680000110.5C31 E34 C51 C69 R75 I76C31-T72 PolarHBondContact SG-N 3.44Å; E34-T72 PolarHBondContact OE1-N 2.96Å; E34-T72 WeakPolarHBondContact OE2-CA 3.33Å; E34-T72 WeakPolarHBondContact OE2-CB 3.44Å; E34-T72 PolarHBondContact OE2-N 3.25Å; E34-T72 PolarHBondContact OE2-OG1 3.02Å; C51-T72 HydrophobicContact CB-CG2 4.25Å; C51-T72 WeakPolarHBondContact O-CG2 3.41Å; C69-T72 PolarHBondContact O-N 2.82Å; T72-R75 PolarHBondContact O-N 2.95Å; T72-I76 HydrophobicContact CG2-CD1 3.5Å; T72-I76 HydrophobicContact CG2-CG1 4.19Å; T72-I76 WeakPolarHBondContact O-CB 3.17Å; T72-I76 WeakPolarHBondContact O-CG1 3.27Å; T72-I76 PolarHBondContact O-N 3.45Å
73C93.3Very high80.9Confident4 Ų469.2 Ų69.23%0.02739%0.385CS..Hα-helixtrans-67-39.9176.7-73.60000112.9C59 R66 C69 C71 R75 I76 V77C59-C73 WeakPolarHBondContact CA-SG 3.46Å; C59-C73 HydrophobicContact CB-CB 3.45Å; C59-C73 VanDerWaalsContact CB-CB 3.45Å; C59-C73 WeakPolarHBondContact CB-SG 3.46Å; C59-C73 WeakPolarHBondContact SG-CA 3.31Å; C59-C73 WeakPolarHBondContact SG-CB 3.34Å; C59-C73 CovalentContact SG-SG 2.05Å; C59-C73 PolarHBondContact SG-SG 2.94Å; R66-C73 HydrophobicContact CG-CB 4.23Å; C69-C73 WeakPolarHBondContact O-CB 3.47Å; C69-C73 PolarHBondContact O-N 3.16Å; C69-C73 PolarHBondContact O-SG 3.47Å; C71-C73 VanDerWaalsContact C-N 3.31Å; C71-C73 PolarHBondContact O-N 3.21Å; C73-R75 VanDerWaalsContact C-N 3.35Å; C73-R75 PolarHBondContact O-N 3.5Å; C73-I76 PolarHBondContact O-N 3.48Å; C73-V77 VanDerWaalsContact O-CB 3.27Å; C73-V77 WeakPolarHBondContact O-CB 3.21Å; C73-V77 WeakPolarHBondContact O-CG2 3.42Å; C73-V77 PolarHBondContact O-N 3.06Å
74Q92.2Very high78.3Confident136 Ų13671.8 Ų71.864%0.63640%0.397SS*.Hα-helixtrans-59.1-47.2172.7-175.5175.7-6.400110.9P70 C71 V77 S78P70-Q74 VanDerWaalsContact O-CB 3.23Å; P70-Q74 WeakPolarHBondContact O-CB 3.46Å; P70-Q74 PolarHBondContact O-N 2.9Å; C71-Q74 PolarHBondContact O-N 3.26Å; Q74-V77 PolarHBondContact O-N 2.98Å; Q74-S78 WeakPolarHBondContact O-CB 3.18Å; Q74-S78 PolarHBondContact O-N 2.88Å; Q74-S78 PolarHBondContact O-OG 3.38Å
75R90Very high75.4Confident98 Ų9876.6 Ų76.637%0.3743%0.43SS..Hα-helixtrans-60.8-47.1177.6-174.9-17660.875.41.3112.4L29 C71 T72 C73 V77 S79L29-R75 WeakPolarHBondContact O-CD 3.17Å; C71-R75 WeakPolarHBondContact O-CB 3.43Å; C71-R75 PolarHBondContact O-N 2.97Å; T72-R75 PolarHBondContact O-N 2.95Å; C73-R75 VanDerWaalsContact C-N 3.35Å; C73-R75 PolarHBondContact O-N 3.5Å; R75-V77 VanDerWaalsContact C-N 3.35Å; R75-V77 PolarHBondContact O-N 3.46Å; R75-S79 PolarHBondContact O-N 3.41Å
76I88Confident72.4Confident28 Ų2885.9 Ų85.914%0.14447%0.474CS..Hα-helixtrans-64-41.6-180-69.6168.6000110.8L54 R56 T72 C73L54-I76 WeakPolarHBondContact O-CD1 3.14Å; R56-I76 HydrophobicContact CB-CG2 3.54Å; R56-I76 HydrophobicContact CG-CG2 3.95Å; R56-I76 PolarHBondContact NH1-O 2.87Å; T72-I76 HydrophobicContact CG2-CD1 3.5Å; T72-I76 HydrophobicContact CG2-CG1 4.19Å; T72-I76 WeakPolarHBondContact O-CB 3.17Å; T72-I76 WeakPolarHBondContact O-CG1 3.27Å; T72-I76 PolarHBondContact O-N 3.45Å; C73-I76 PolarHBondContact O-N 3.48Å
77V88.2Confident69.4Low48 Ų4886 Ų8629%0.29149%0.492SS..Hα-helixtrans-73.6-38.1-179.2173.90000111.7R56 C59 L60 C73 Q74 R75R56-V77 PolarHBondContact NH1-O 3.24Å; R56-V77 PolarHBondContact NH2-O 2.78Å; R56-V77 VanDerWaalsContact NH2-O 3.1Å; C59-V77 HydrophobicContact CB-CG2 4.23Å; L60-V77 HydrophobicContact CD2-CG1 4.06Å; L60-V77 HydrophobicContact CD2-CG2 3.82Å; L60-V77 HydrophobicContact CG-CG2 4.13Å; C73-V77 VanDerWaalsContact O-CB 3.27Å; C73-V77 WeakPolarHBondContact O-CB 3.21Å; C73-V77 WeakPolarHBondContact O-CG2 3.42Å; C73-V77 PolarHBondContact O-N 3.06Å; Q74-V77 PolarHBondContact O-N 2.98Å; R75-V77 VanDerWaalsContact C-N 3.35Å; R75-V77 PolarHBondContact O-N 3.46Å
78S80.8Confident66.4Low83 Ų8387.3 Ų87.358%0.5850%0.503SS*.Hα-helixtrans-81.2-9.4-179.7-620000114.6Q74Q74-S78 WeakPolarHBondContact O-CB 3.18Å; Q74-S78 PolarHBondContact O-N 2.88Å; Q74-S78 PolarHBondContact O-OG 3.38Å
79S72.3Confident63.2Low57 Ų5792.3 Ų92.340%0.39953%0.527SS..SBendtrans-60.3124.3174.7-171.10000110.7R75 E81R75-S79 PolarHBondContact O-N 3.41Å; S79-E81 PolarHBondContact O-N 3.16Å
80P54.7Low60Low119 Ų119103.5 Ų103.577%0.77357%0.571SS**SBendtrans-80.361.3-174.533.6-34.2000112.1
81E45.7Very low56.8Low185 Ų185104 Ų10486%0.86458%0.582SS**  trans-97.263139.9-82.9168.8126.500106.2S79S79-E81 PolarHBondContact O-N 3.16Å
82A34.5Very low53.7Low67 Ų67111.2 Ų111.255%0.55461%0.61SS**  trans-139.895.1-163.300000111.5
83A29.6Very low50.7Low92 Ų92119 Ų11976%0.7665%0.646SS**  trans-174.390.8147.600000108.6
84H35.1Very low47.5Very low168 Ų168124.5 Ų124.578%0.77868%0.676SS**  trans-148.2134.6142.3-107.261000109.1
85P30.7Very low44.6Very low120 Ų120121.4 Ų121.478%0.77966%0.662SS**  trans-85.2150.8-157.612.14.1000113.4
86Q27.8Very low41.9Very low195 Ų195126.7 Ų126.791%0.91168%0.684SS**  trans-64136172.9-60.4174.5-82.400111.9
87S30.3Very low39.1Very low115 Ų115128.4 Ų128.480%0.80470%0.702SS**  trans-142100.5143.6530000109.8
88V31.6Very low36.2Very low129 Ų129129.3 Ų129.378%0.78272%0.721SS**  trans19.9100.6137.5-1700000115.6
89E26.6Very low33.8Very low167 Ų167131.5 Ų131.578%0.7873%0.726SS**  103.4104.175.3-170.3166.2-176.100112.3
90Y26.8Very low31.9Very low235 Ų235130.7 Ų130.792%0.92273%0.726SS**  trans-150105132.7-106.3-82.4000107.4
91A27.7Very low31Very low86 Ų86125.3 Ų125.371%0.71169%0.693SS**  trans30.9102.5157.200000118.8
92Q28.3Very low30.8Very low199 Ų199119 Ų11993%0.9368%0.678SS**  trans-111.5110.4149.6-89.4178.3-85.400108.8
93Q30.1Very low31.9Very low167 Ų167118 Ų11878%0.7867%0.674SS**  trans-88.7118.3170.7-159.9157.7-10.300107.1M95Q93-M95 PolarHBondContact O-N 2.99Å; Q93-M95 VanDerWaalsContact O-N 3.08Å
94D27Very low33.6Very low120 Ų120114.3 Ų114.364%0.64264%0.643SS**  trans-50.3107171.5-56-48.1000110.4
95M30.4Very low35.7Very low72 Ų72109.2 Ų109.236%0.35562%0.617SS.*  trans-143.566.5169.9-72.1-163.9-40.300113.3Q93 A97 G98 D99Q93-M95 PolarHBondContact O-N 2.99Å; Q93-M95 VanDerWaalsContact O-N 3.08Å; M95-A97 PolarHBondContact O-N 2.87Å; M95-G98 VanDerWaalsContact SD-O 3.33Å; M95-D99 HydrophobicContact CE-CB 3.15Å; M95-D99 VanDerWaalsContact CE-OD2 3.3Å; M95-D99 WeakPolarHBondContact CE-OD2 3.31Å; M95-D99 HydrophobicContact SD-CB 3.67Å; M95-D99 PolarHBondContact SD-N 3.21Å
96Y32.9Very low38.5Very low209 Ų209103.5 Ų103.582%0.8258%0.58SS**SBendtrans-82.157.6135.8-70.6-74.6000109.7
97A30.7Very low41.7Very low64 Ų6494.3 Ų94.353%0.52954%0.537SS..SBendtrans166.478.5159.700000109.8M95M95-A97 PolarHBondContact O-N 2.87Å
98G27.2Very low44.7Very low67 Ų6788.9 Ų88.969%0.69150%0.499SS*.SBendtrans115.751.1154.100000118.2M95M95-G98 VanDerWaalsContact SD-O 3.33Å
99D29.7Very low47.6Very low129 Ų12983.5 Ų83.569%0.6947%0.467SS*.SBendtrans-166.8151.3138.3151.662.4000110.1M95M95-D99 HydrophobicContact CE-CB 3.15Å; M95-D99 VanDerWaalsContact CE-OD2 3.3Å; M95-D99 WeakPolarHBondContact CE-OD2 3.31Å; M95-D99 HydrophobicContact SD-CB 3.67Å; M95-D99 PolarHBondContact SD-N 3.21Å
100G31.9Very low50.9Low39 Ų3979.7 Ų79.740%0.40245%0.452SS..  trans-71.4130.3-148.400000116G102G100-G102 PolarHBondContact O-N 3.35Å
101G36.8Very low54.2Low7 Ų768.7 Ų68.77%0.07241%0.41CS..SBendtrans60.7-4.1151.600000120.4G103 A104G101-G103 PolarHBondContact O-N 2.98Å; G101-A104 PolarHBondContact O-N 2.84Å
102G41.7Very low57.4Low53 Ų5368 Ų6855%0.54639%0.394SS..THydrogen-bonded Turntrans-64-26.7-162.100000117.3G100 L177G100-G102 PolarHBondContact O-N 3.35Å; G102-L177 VanDerWaalsContact O-CD1 3.3Å; G102-L177 WeakPolarHBondContact O-CD1 3.43Å
103G58.1Low60.6Low46 Ų4658.5 Ų58.547%0.47435%0.35SS..THydrogen-bonded Turntrans-105.1-10179.200000115.3G101 R105G101-G103 PolarHBondContact O-N 2.98Å; G103-R105 PolarHBondContact O-NH1 3.12Å
104A65.1Low63.6Low14 Ų1452.4 Ų52.412%0.11632%0.322CS..  trans-80.6152.9-171.400000111.9G101 T175 F229G101-A104 PolarHBondContact O-N 2.84Å; A104-T175 HydrophobicContact CB-CG2 4.1Å; A104-T175 WeakPolarHBondContact O-CB 3.33Å; A104-T175 PolarHBondContact O-OG1 3.27Å; A104-F229 HydrophobicContact CB-CD1 3.53Å; A104-F229 HydrophobicContact CB-CE1 3.36Å
105R77.4Confident66.9Low61 Ų6146.9 Ų46.923%0.2329%0.293CS..  trans-135.474.6-176.5-58.1130.1150.6130.1-16.5108.7G103 T175 L177 H178 S231 S250 T251G103-R105 PolarHBondContact O-NH1 3.12Å; R105-T175 WeakPolarHBondContact CA-OG1 3.36Å; R105-T175 PolarHBondContact N-OG1 2.86Å; R105-L177 HydrophobicContact CG-CB 3.74Å; R105-H178 VanDerWaalsContact C-ND1 3.27Å; R105-S231 WeakPolarHBondContact O-CB 3.44Å; R105-S231 PolarHBondContact O-OG 2.9Å; R105-S250 WeakPolarHBondContact CD-OG 3.17Å; R105-S250 PolarHBondContact NE-O 2.82Å; R105-S250 PolarHBondContact NE-OG 2.75Å; R105-T251 PolarHBondContact NH2-OG1 3.07Å
106C90.6Very high70Confident0 Ų046.7 Ų46.70%029%0.293CS..  trans-140.6160.7-161-61.90000111.1H152 Y161 T175 H178 F229 Y230C106-H152 PolarHBondContact SG-ND1 3.36Å; C106-H152 VanDerWaalsContact SG-ND1 3.35Å; C106-Y161 WeakPolarHBondContact O-CE1 3.33Å; C106-T175 HydrophobicContact CB-CG2 4.04Å; C106-T175 PolarHBondContact N-OG1 2.94Å; C106-T175 PolarHBondContact O-N 3.35Å; C106-T175 VanDerWaalsContact O-N 3.11Å; C106-H178 PolarHBondContact N-ND1 2.68Å; C106-F229 HydrophobicContact CB-CB 4.05Å; C106-F229 HydrophobicContact CB-CD1 3.95Å; C106-F229 HydrophobicContact CB-CG 4.46Å; C106-Y230 CarbonylContact C-O 3.51Å; C106-Y230 WeakPolarHBondContact CA-O 3.42Å
107F94.2Very high73Confident1 Ų141.1 Ų41.10%0.00428%0.277CS..BIsolated β-bridgetrans-95.7152.7162.2-56.3-82000109.1A111 M122 Y161 L172 L174 H178 Y230 L239 V241 A246F107-A111 HydrophobicContact CB-CB 3.98Å; F107-M122 HydrophobicContact CB-CE 3.97Å; F107-M122 HydrophobicContact CB-CG 4.06Å; F107-M122 HydrophobicContact CD1-CE 4.39Å; F107-M122 HydrophobicContact CD2-CE 3.62Å; F107-M122 HydrophobicContact CE2-CE 4.18Å; F107-M122 HydrophobicContact CG-CE 3.74Å; F107-Y161 PolarHBondContact O-OH 3.06Å; F107-L172 HydrophobicContact CD1-CD1 4.3Å; F107-L172 HydrophobicContact CE1-CD1 4.26Å; F107-L174 HydrophobicContact CD1-CD2 3.48Å; F107-L174 VanDerWaalsContact CD1-CD2 3.48Å; F107-L174 HydrophobicContact CE1-CD2 3.21Å; F107-L174 HydrophobicContact CZ-CD2 4.08Å; F107-H178 AromaticContact CD2-CE1 3.77Å; F107-H178 AromaticContact CE1-CE1 3.98Å; F107-H178 AromaticContact CE1-NE2 3.95Å; F107-H178 AromaticContact CE2-CE1 3.23Å; F107-H178 WeakPolarHBondContact CE2-CE1 3.22Å; F107-H178 AromaticContact CE2-NE2 3.59Å; F107-H178 AromaticContact CZ-CE1 3.34Å; F107-H178 WeakPolarHBondContact CZ-CE1 3.44Å; F107-H178 AromaticContact CZ-NE2 3.25Å; F107-H178 WeakPolarHBondContact CZ-NE2 3.21Å; F107-Y230 PolarHBondContact N-O 2.84Å; F107-Y230 PolarHBondContact O-N 2.96Å; F107-L239 HydrophobicContact CE2-CD1 4.33Å; F107-L239 HydrophobicContact CE2-CD2 3.94Å; F107-L239 HydrophobicContact CZ-CD2 3.78Å; F107-L239 HydrophobicContact CZ-CG 4.5Å; F107-V241 HydrophobicContact CD1-CB 4.24Å; F107-V241 HydrophobicContact CD1-CG1 3.9Å; F107-V241 HydrophobicContact CD1-CG2 3.94Å; F107-V241 HydrophobicContact CE1-CB 3.97Å; F107-V241 HydrophobicContact CE1-CG1 4.16Å; F107-V241 HydrophobicContact CE1-CG2 3.49Å; F107-V241 VanDerWaalsContact CE1-CG2 3.49Å; F107-V241 HydrophobicContact CE2-CG2 4.34Å; F107-V241 HydrophobicContact CZ-CG2 3.74Å; F107-A246 HydrophobicContact CE1-CB 3.82Å; F107-A246 HydrophobicContact CZ-CB 3.69Å
108P94.3Very high75.9Confident2 Ų239.4 Ų39.41%0.01327%0.266CS..  trans-73.4166.6172.935.3-38.3000111.3D110 A111 Y161 S173 K226P108-D110 VanDerWaalsContact C-N 3.27Å; P108-D110 VanDerWaalsContact CB-OD1 3.29Å; P108-D110 WeakPolarHBondContact CB-OD1 3.33Å; P108-D110 VanDerWaalsContact CG-OD1 3.26Å; P108-D110 WeakPolarHBondContact CG-OD1 3.44Å; P108-D110 PolarHBondContact O-N 3.35Å; P108-A111 HydrophobicContact CG-CB 4.02Å; P108-A111 WeakPolarHBondContact O-CB 3.24Å; P108-A111 PolarHBondContact O-N 3.14Å; P108-Y161 HydrophobicContact CB-CE1 4.05Å; P108-Y161 HydrophobicContact CB-CE2 4.42Å; P108-Y161 VanDerWaalsContact CD-CE1 3.43Å; P108-Y161 HydrophobicContact CG-CE1 4.21Å; P108-S173 WeakPolarHBondContact CD-O 3.4Å; P108-K226 HydrophobicContact CB-CB 3.69Å; P108-K226 HydrophobicContact CB-CG 4.34Å; P108-K226 HydrophobicContact CG-CB 4.45Å
109S93.2Very high79.1Confident15 Ų1540.4 Ų40.411%0.10526%0.261CS..THydrogen-bonded Turntrans-57.2-37.1-179.850.30000114.1T121 M122 E123 K227S109-T121 WeakPolarHBondContact O-CB 3.3Å; S109-M122 PolarHBondContact O-N 3.15Å; S109-E123 PolarHBondContact O-N 2.96Å; S109-K227 WeakPolarHBondContact CB-O 3.3Å; S109-K227 PolarHBondContact N-O 2.98Å; S109-K227 PolarHBondContact OG-O 2.77Å
110D94.2Very high82.2Confident88 Ų8835.3 Ų35.347%0.47123%0.233SC..THydrogen-bonded Turntrans-86.3-2.8-175.664.6-28.1000113.8P108 L112P108-D110 VanDerWaalsContact C-N 3.27Å; P108-D110 VanDerWaalsContact CB-OD1 3.29Å; P108-D110 WeakPolarHBondContact CB-OD1 3.33Å; P108-D110 VanDerWaalsContact CG-OD1 3.26Å; P108-D110 WeakPolarHBondContact CG-OD1 3.44Å; P108-D110 PolarHBondContact O-N 3.35Å; D110-L112 PolarHBondContact O-N 2.83Å
111A95.9Very high85.3Confident4 Ų435.1 Ų35.13%0.03322%0.224CC..  trans-60.5126175.100000110.6F107 P108 T121 M122 V241F107-A111 HydrophobicContact CB-CB 3.98Å; P108-A111 HydrophobicContact CG-CB 4.02Å; P108-A111 WeakPolarHBondContact O-CB 3.24Å; P108-A111 PolarHBondContact O-N 3.14Å; A111-T121 CarbonylContact O-C 3.56Å; A111-T121 VanDerWaalsContact O-CA 3.25Å; A111-T121 WeakPolarHBondContact O-CA 3.25Å; A111-M122 HydrophobicContact CB-CG 3.79Å; A111-M122 PolarHBondContact O-N 3.34Å; A111-V241 HydrophobicContact CB-CG1 3.67Å
112L96.1Very high87.9Confident71 Ų7134.8 Ų34.837%0.37222%0.22SC..EExtended strand (participates in β ladder)trans-91.1129.8-175.9-168.774.1000110.1D110 P119 M120 V241 N242D110-L112 PolarHBondContact O-N 2.83Å; L112-P119 HydrophobicContact CD1-CB 3.85Å; L112-P119 HydrophobicContact CD2-CB 4.17Å; L112-P119 HydrophobicContact CG-CB 4.15Å; L112-M120 CarbonylContact C-O 3.51Å; L112-M120 WeakPolarHBondContact CA-O 3.49Å; L112-V241 CarbonylContact O-C 3.54Å; L112-V241 WeakPolarHBondContact O-CA 3.32Å; L112-N242 WeakPolarHBondContact CB-OD1 3.31Å; L112-N242 PolarHBondContact N-OD1 2.93Å; L112-N242 PolarHBondContact O-N 2.85Å; L112-N242 PolarHBondContact O-OD1 2.83Å
113V96.3Very high90.3Very high0 Ų036.3 Ų36.30%021%0.213CC..EExtended strand (participates in β ladder)trans-113.4140.6170.1-67.50000109.7T115 P119 M120 M122 L125 V133 L239 V241V113-T115 HydrophobicContact CG2-CG2 3.82Å; V113-P119 WeakPolarHBondContact O-CA 3.37Å; V113-M120 HydrophobicContact CG2-CB 4.33Å; V113-M120 WeakPolarHBondContact CG2-O 3.3Å; V113-M120 PolarHBondContact N-O 2.97Å; V113-M120 PolarHBondContact O-N 3.24Å; V113-M122 HydrophobicContact CG1-CE 3.45Å; V113-M122 VanDerWaalsContact CG1-CE 3.45Å; V113-M122 HydrophobicContact CG1-SD 4.22Å; V113-L125 HydrophobicContact CG2-CB 4.29Å; V113-L125 HydrophobicContact CG2-CD1 4.21Å; V113-L125 HydrophobicContact CG2-CD2 3.88Å; V113-L125 HydrophobicContact CG2-CG 4.33Å; V113-V133 HydrophobicContact CB-CG1 4.15Å; V113-V133 HydrophobicContact CG2-CG1 4.02Å; V113-L239 HydrophobicContact CG1-CD1 4.37Å; V113-V241 HydrophobicContact CG1-CG2 4.15Å
114D92.3Very high92Very high39 Ų3939 Ų3921%0.20921%0.213CC..  trans-77.6128.1166.8-69.8-25.4000108.6V133 L134 Q207D114-V133 CarbonylContact O-C 3.38Å; D114-V133 WeakPolarHBondContact O-CA 3.28Å; D114-L134 HydrophobicContact CB-CB 3.92Å; D114-L134 HydrophobicContact CB-CD2 4.12Å; D114-L134 PolarHBondContact O-N 3.1Å; D114-Q207 PolarHBondContact OD2-NE2 2.85Å
115T96.2Very high93.4Very high3 Ų338.5 Ų38.52%0.01821%0.209CC..BIsolated β-bridgetrans-124.5161.8177.188.30000111.3V113 L117 G118 M120 L125 A131 K132 V133 Y144V113-T115 HydrophobicContact CG2-CG2 3.82Å; T115-L117 PolarHBondContact O-N 2.8Å; T115-L117 PolarHBondContact OG1-N 2.96Å; T115-G118 WeakPolarHBondContact CB-O 3.24Å; T115-G118 PolarHBondContact N-O 2.85Å; T115-G118 PolarHBondContact O-N 3.25Å; T115-G118 PolarHBondContact OG1-N 2.82Å; T115-G118 PolarHBondContact OG1-O 3.46Å; T115-M120 HydrophobicContact CG2-CB 4.11Å; T115-M120 HydrophobicContact CG2-CG 4.06Å; T115-M120 HydrophobicContact CG2-SD 4.14Å; T115-L125 HydrophobicContact CG2-CD1 4.01Å; T115-A131 HydrophobicContact CG2-CB 4.34Å; T115-K132 CarbonylContact C-O 3.57Å; T115-K132 WeakPolarHBondContact CA-O 3.38Å; T115-K132 VanDerWaalsContact CB-O 3.3Å; T115-K132 WeakPolarHBondContact CB-O 3.46Å; T115-V133 HydrophobicContact CG2-CG1 4.36Å; T115-Y144 PolarHBondContact O-OH 2.87Å
116N95.6Very high93.9Very high69 Ų6936.5 Ų36.537%0.36920%0.203SC..THydrogen-bonded Turntrans-63.4-8.7173.269.4-46.9000113.5K132 Y144N116-K132 PolarHBondContact N-O 3.02Å; N116-K132 PolarHBondContact OD1-N 3.27Å; N116-K132 PolarHBondContact OD1-O 3.08Å; N116-Y144 HydrophobicContact CB-CD1 3.95Å; N116-Y144 HydrophobicContact CB-CD2 3.9Å; N116-Y144 HydrophobicContact CB-CE1 4.12Å; N116-Y144 HydrophobicContact CB-CE2 4.05Å; N116-Y144 HydrophobicContact CB-CG 3.85Å
117L94.9Very high93.8Very high91 Ų9141.3 Ų41.348%0.47623%0.232SC..THydrogen-bonded Turntrans-110.913.1177.2-57.1-179.8000112.2T115 M120 Q130 A131T115-L117 PolarHBondContact O-N 2.8Å; T115-L117 PolarHBondContact OG1-N 2.96Å; L117-M120 HydrophobicContact CB-CE 3.65Å; L117-M120 HydrophobicContact CD1-CE 4.43Å; L117-Q130 HydrophobicContact CD1-CB 4.45Å; L117-A131 HydrophobicContact CD1-CB 4.24Å
118G93Very high93.5Very high29 Ų2943.6 Ų43.630%0.29924%0.244SC..SBendtrans100.3171.6-175.500000113.3T115T115-G118 WeakPolarHBondContact CB-O 3.24Å; T115-G118 PolarHBondContact N-O 2.85Å; T115-G118 PolarHBondContact O-N 3.25Å; T115-G118 PolarHBondContact OG1-N 2.82Å; T115-G118 PolarHBondContact OG1-O 3.46Å
119P93.7Very high93.1Very high88 Ų8851.6 Ų51.657%0.57127%0.274SS*.  trans-63138.4-179.7-21.933.9000112.2L112 V113L112-P119 HydrophobicContact CD1-CB 3.85Å; L112-P119 HydrophobicContact CD2-CB 4.17Å; L112-P119 HydrophobicContact CG-CB 4.15Å; V113-P119 WeakPolarHBondContact O-CA 3.37Å
120M95.1Very high93Very high22 Ų2258.5 Ų58.511%0.10831%0.305CS..EExtended strand (participates in β ladder)trans-138.5144.8178.1-64.2-176.1-171.200110.5L112 V113 T115 L117 Q124 N128 A131L112-M120 CarbonylContact C-O 3.51Å; L112-M120 WeakPolarHBondContact CA-O 3.49Å; V113-M120 HydrophobicContact CG2-CB 4.33Å; V113-M120 WeakPolarHBondContact CG2-O 3.3Å; V113-M120 PolarHBondContact N-O 2.97Å; V113-M120 PolarHBondContact O-N 3.24Å; T115-M120 HydrophobicContact CG2-CB 4.11Å; T115-M120 HydrophobicContact CG2-CG 4.06Å; T115-M120 HydrophobicContact CG2-SD 4.14Å; L117-M120 HydrophobicContact CB-CE 3.65Å; L117-M120 HydrophobicContact CD1-CE 4.43Å; M120-Q124 HydrophobicContact CB-CB 4.13Å; M120-N128 WeakPolarHBondContact CE-ND2 2.78Å; M120-N128 HydrophobicContact SD-CB 4.09Å; M120-A131 HydrophobicContact CE-CB 4.39Å; M120-A131 HydrophobicContact SD-CB 4.14Å
121T95.8Very high92.9Very high34 Ų3454.5 Ų54.521%0.20928%0.284CS..EExtended strand (participates in β ladder)trans-71159.6166.558.50000110.8S109 A111 E123 Q124 L125S109-T121 WeakPolarHBondContact O-CB 3.3Å; A111-T121 CarbonylContact O-C 3.56Å; A111-T121 VanDerWaalsContact O-CA 3.25Å; A111-T121 WeakPolarHBondContact O-CA 3.25Å; T121-E123 PolarHBondContact O-N 3.38Å; T121-Q124 PolarHBondContact O-N 2.78Å; T121-Q124 VanDerWaalsContact OG1-CD 3.31Å; T121-Q124 VanDerWaalsContact OG1-CG 3.3Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.46Å; T121-Q124 PolarHBondContact OG1-N 3.01Å; T121-Q124 PolarHBondContact OG1-OE1 3.49Å; T121-L125 WeakPolarHBondContact O-CB 3.43Å; T121-L125 PolarHBondContact O-N 2.98Å
122M93.3Very high93Very high0 Ų058.8 Ų58.80%030%0.302CS..Hα-helixtrans-55.5-37.3172.8-74.5-66.5175.200112.1F107 S109 A111 V113 Q124 L125 I126 W150 Y230 P232 L239 V241F107-M122 HydrophobicContact CB-CE 3.97Å; F107-M122 HydrophobicContact CB-CG 4.06Å; F107-M122 HydrophobicContact CD1-CE 4.39Å; F107-M122 HydrophobicContact CD2-CE 3.62Å; F107-M122 HydrophobicContact CE2-CE 4.18Å; F107-M122 HydrophobicContact CG-CE 3.74Å; S109-M122 PolarHBondContact O-N 3.15Å; A111-M122 HydrophobicContact CB-CG 3.79Å; A111-M122 PolarHBondContact O-N 3.34Å; V113-M122 HydrophobicContact CG1-CE 3.45Å; V113-M122 VanDerWaalsContact CG1-CE 3.45Å; V113-M122 HydrophobicContact CG1-SD 4.22Å; M122-Q124 VanDerWaalsContact C-N 3.35Å; M122-Q124 PolarHBondContact O-N 3.17Å; M122-L125 PolarHBondContact O-N 2.63Å; M122-L125 HydrophobicContact SD-CD2 4.29Å; M122-I126 PolarHBondContact O-N 2.79Å; M122-W150 HydrophobicContact SD-CH2 4.26Å; M122-W150 HydrophobicContact SD-CZ3 4.27Å; M122-Y230 HydrophobicContact CB-CD1 4.01Å; M122-Y230 HydrophobicContact CB-CD2 4.14Å; M122-Y230 HydrophobicContact CB-CG 3.71Å; M122-P232 HydrophobicContact CE-CG 4.2Å; M122-P232 HydrophobicContact SD-CG 4.05Å; M122-L239 HydrophobicContact CE-CD1 3.91Å; M122-V241 HydrophobicContact CE-CG1 4.25Å; M122-V241 HydrophobicContact CE-CG2 3.79Å
123E91.8Very high93Very high86 Ų8655.4 Ų55.440%0.40228%0.284SS..Hα-helixtrans-64.7-34.6175.2-179.1167.3-140.900113.4S109 T121 I126S109-E123 PolarHBondContact O-N 2.96Å; T121-E123 PolarHBondContact O-N 3.38Å; E123-I126 VanDerWaalsContact O-CG2 3.31Å; E123-I126 WeakPolarHBondContact O-CG2 3.48Å
124Q93.3Very high93.1Very high102 Ų10256.1 Ų56.148%0.47729%0.288SS..Hα-helixtrans-76.1-45.4174.2-72.7163.2-36.100111.3M120 T121 M122 I126 T127 N128M120-Q124 HydrophobicContact CB-CB 4.13Å; T121-Q124 PolarHBondContact O-N 2.78Å; T121-Q124 VanDerWaalsContact OG1-CD 3.31Å; T121-Q124 VanDerWaalsContact OG1-CG 3.3Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.46Å; T121-Q124 PolarHBondContact OG1-N 3.01Å; T121-Q124 PolarHBondContact OG1-OE1 3.49Å; M122-Q124 VanDerWaalsContact C-N 3.35Å; M122-Q124 PolarHBondContact O-N 3.17Å; Q124-I126 VanDerWaalsContact C-N 3.27Å; Q124-I126 PolarHBondContact O-N 3.18Å; Q124-T127 PolarHBondContact O-N 2.65Å; Q124-T127 PolarHBondContact O-OG1 3.3Å; Q124-N128 PolarHBondContact O-N 3.08Å
125L93.8Very high93.3Very high3 Ų354.2 Ų54.22%0.01628%0.278CS..Hα-helixtrans-55.7-40.7-177.3-176.971.6000112V113 T115 T121 M122 T127 N128 A131 V133 V147 W150V113-L125 HydrophobicContact CG2-CB 4.29Å; V113-L125 HydrophobicContact CG2-CD1 4.21Å; V113-L125 HydrophobicContact CG2-CD2 3.88Å; V113-L125 HydrophobicContact CG2-CG 4.33Å; T115-L125 HydrophobicContact CG2-CD1 4.01Å; T121-L125 WeakPolarHBondContact O-CB 3.43Å; T121-L125 PolarHBondContact O-N 2.98Å; M122-L125 PolarHBondContact O-N 2.63Å; M122-L125 HydrophobicContact SD-CD2 4.29Å; L125-T127 PolarHBondContact O-N 3.01Å; L125-T127 VanDerWaalsContact O-N 3.08Å; L125-N128 PolarHBondContact O-N 2.88Å; L125-A131 HydrophobicContact CD1-CB 3.81Å; L125-V133 HydrophobicContact CD1-CG1 3.72Å; L125-V133 HydrophobicContact CD2-CG1 3.56Å; L125-V133 HydrophobicContact CG-CG1 4.28Å; L125-V147 HydrophobicContact CD2-CG2 4.07Å; L125-W150 HydrophobicContact CB-CH2 4.14Å; L125-W150 HydrophobicContact CB-CZ2 4.31Å; L125-W150 HydrophobicContact CD2-CH2 3.69Å; L125-W150 HydrophobicContact CD2-CZ2 3.85Å; L125-W150 HydrophobicContact CG-CH2 4Å; L125-W150 HydrophobicContact CG-CZ2 3.87Å
126I88.2Confident93.2Very high20 Ų2055.2 Ų55.210%0.10328%0.281CS..THydrogen-bonded Turntrans-61.9-20.6179.7-160.1170.6000113.6M122 E123 Q124 R129 W150 A153 Y230M122-I126 PolarHBondContact O-N 2.79Å; E123-I126 VanDerWaalsContact O-CG2 3.31Å; E123-I126 WeakPolarHBondContact O-CG2 3.48Å; Q124-I126 VanDerWaalsContact C-N 3.27Å; Q124-I126 PolarHBondContact O-N 3.18Å; I126-R129 PolarHBondContact O-NH1 2.92Å; I126-W150 VanDerWaalsContact CA-CZ2 3.41Å; I126-W150 HydrophobicContact CB-CD2 4.48Å; I126-W150 HydrophobicContact CB-CH2 3.9Å; I126-W150 HydrophobicContact CB-CZ2 3.78Å; I126-W150 HydrophobicContact CB-CZ3 4.35Å; I126-W150 HydrophobicContact CD1-CD2 4.1Å; I126-W150 HydrophobicContact CD1-CE3 4.19Å; I126-W150 HydrophobicContact CD1-CG 4.43Å; I126-W150 HydrophobicContact CG1-CD2 3.89Å; I126-W150 HydrophobicContact CG1-CE3 4.29Å; I126-W150 HydrophobicContact CG1-CG 4.31Å; I126-W150 HydrophobicContact CG1-CH2 4.36Å; I126-W150 HydrophobicContact CG1-CZ2 4.01Å; I126-A153 HydrophobicContact CD1-CB 3.22Å; I126-Y230 HydrophobicContact CB-CE1 4.29Å; I126-Y230 HydrophobicContact CD1-CD1 4.31Å; I126-Y230 HydrophobicContact CD1-CE1 4.14Å; I126-Y230 HydrophobicContact CG2-CE1 4.09Å
127T88.3Confident93.1Very high101 Ų10153.2 Ų53.262%0.6227%0.271SS*.THydrogen-bonded Turntrans-97.6-7.9176.461.50000112.9Q124 L125Q124-T127 PolarHBondContact O-N 2.65Å; Q124-T127 PolarHBondContact O-OG1 3.3Å; L125-T127 PolarHBondContact O-N 3.01Å; L125-T127 VanDerWaalsContact O-N 3.08Å
128N89.3Confident92.9Very high49 Ų4956.5 Ų56.526%0.26228%0.281SS..  trans-108.585.2-178.1-163.3-35.9000111.6M120 Q124 L125 Q130 A131M120-N128 WeakPolarHBondContact CE-ND2 2.78Å; M120-N128 HydrophobicContact SD-CB 4.09Å; Q124-N128 PolarHBondContact O-N 3.08Å; L125-N128 PolarHBondContact O-N 2.88Å; N128-Q130 PolarHBondContact O-N 2.86Å; N128-Q130 PolarHBondContact OD1-N 3.02Å; N128-A131 HydrophobicContact CB-CB 4.12Å; N128-A131 PolarHBondContact O-N 3.22Å; N128-A131 PolarHBondContact OD1-N 3.37Å; N128-A131 VanDerWaalsContact OD1-N 3.15Å
129R85.7Confident92.8Very high169 Ų16961 Ų6164%0.63829%0.294SS*.THydrogen-bonded Turntrans-65.6-16.6-178.4-66.3-75.9-178.7-92.8-5.6114.4I126I126-R129 PolarHBondContact O-NH1 2.92Å
130Q89.6Confident92.6Very high161 Ų16162 Ų6275%0.75229%0.291SS*.THydrogen-bonded Turntrans-91.3-17.9-179-63.3178.6-0.500112.6L117 N128L117-Q130 HydrophobicContact CD1-CB 4.45Å; N128-Q130 PolarHBondContact O-N 2.86Å; N128-Q130 PolarHBondContact OD1-N 3.02Å
131A93.2Very high92.4Very high4 Ų469.4 Ų69.43%0.03332%0.318CS..  trans-68.1134.2178.600000111T115 L117 M120 L125 N128T115-A131 HydrophobicContact CG2-CB 4.34Å; L117-A131 HydrophobicContact CD1-CB 4.24Å; M120-A131 HydrophobicContact CE-CB 4.39Å; M120-A131 HydrophobicContact SD-CB 4.14Å; L125-A131 HydrophobicContact CD1-CB 3.81Å; N128-A131 HydrophobicContact CB-CB 4.12Å; N128-A131 PolarHBondContact O-N 3.22Å; N128-A131 PolarHBondContact OD1-N 3.37Å; N128-A131 VanDerWaalsContact OD1-N 3.15Å
132K97Very high92.4Very high94 Ų9469.6 Ų69.641%0.40932%0.318SS..EExtended strand (participates in β ladder)trans-108.3131.8168.5-60.9-175.6-179.4-175.60107.7T115 N116 Y144 S145 P146T115-K132 CarbonylContact C-O 3.57Å; T115-K132 WeakPolarHBondContact CA-O 3.38Å; T115-K132 VanDerWaalsContact CB-O 3.3Å; T115-K132 WeakPolarHBondContact CB-O 3.46Å; N116-K132 PolarHBondContact N-O 3.02Å; N116-K132 PolarHBondContact OD1-N 3.27Å; N116-K132 PolarHBondContact OD1-O 3.08Å; K132-Y144 WeakPolarHBondContact O-CD1 3.25Å; K132-S145 CarbonylContact C-O 3.58Å; K132-S145 WeakPolarHBondContact CA-O 3.36Å; K132-P146 HydrophobicContact CG-CB 4.4Å
133V97.5Very high92.5Very high0 Ų072 Ų720%033%0.333CS..EExtended strand (participates in β ladder)trans-89150.4-179.7-63.30000110.8V113 D114 T115 L125 A135 Y144 S145 V147 T234 L239V113-V133 HydrophobicContact CB-CG1 4.15Å; V113-V133 HydrophobicContact CG2-CG1 4.02Å; D114-V133 CarbonylContact O-C 3.38Å; D114-V133 WeakPolarHBondContact O-CA 3.28Å; T115-V133 HydrophobicContact CG2-CG1 4.36Å; L125-V133 HydrophobicContact CD1-CG1 3.72Å; L125-V133 HydrophobicContact CD2-CG1 3.56Å; L125-V133 HydrophobicContact CG-CG1 4.28Å; V133-A135 PolarHBondContact O-N 2.99Å; V133-Y144 CarbonylContact O-C 3.56Å; V133-Y144 WeakPolarHBondContact O-CA 3.29Å; V133-S145 PolarHBondContact N-O 2.5Å; V133-S145 PolarHBondContact O-N 3.46Å; V133-V147 HydrophobicContact CG1-CG2 3.95Å; V133-V147 HydrophobicContact CG2-CG2 4.16Å; V133-T234 HydrophobicContact CG2-CG2 3.33Å; V133-L239 HydrophobicContact CG2-CB 4.03Å
134L97.1Very high92.8Very high14 Ų1473 Ų737%0.07333%0.333CS..EExtended strand (participates in β ladder)trans-66.8132.1172.6-162.466.3000109.5D114 L142 Y144 L239 I240D114-L134 HydrophobicContact CB-CB 3.92Å; D114-L134 HydrophobicContact CB-CD2 4.12Å; D114-L134 PolarHBondContact O-N 3.1Å; L134-L142 HydrophobicContact CD1-CB 4.05Å; L134-L142 HydrophobicContact CD2-CD1 3.97Å; L134-L142 HydrophobicContact CG-CB 4.34Å; L134-L142 HydrophobicContact CG-CD1 4.49Å; L134-L142 HydrophobicContact CG-CD2 4.42Å; L134-Y144 HydrophobicContact CB-CD1 4.46Å; L134-Y144 HydrophobicContact CB-CE1 4.23Å; L134-Y144 HydrophobicContact CD1-CD1 4.23Å; L134-Y144 HydrophobicContact CD1-CE1 4Å; L134-L239 CarbonylContact O-C 3.52Å; L134-L239 WeakPolarHBondContact O-CA 3.46Å; L134-I240 HydrophobicContact CB-CB 4.21Å; L134-I240 HydrophobicContact CB-CG1 4.11Å; L134-I240 HydrophobicContact CD2-CB 4.45Å; L134-I240 HydrophobicContact CD2-CG1 4.09Å; L134-I240 HydrophobicContact CG-CG1 3.98Å; L134-I240 PolarHBondContact O-N 3.19Å
135A96.7Very high92.9Very high0 Ų068.3 Ų68.30%031%0.311CS..EExtended strand (participates in β ladder)trans-145.7169-177.800000110.2V133 L142 T143 E236 N238V133-A135 PolarHBondContact O-N 2.99Å; A135-L142 CarbonylContact O-C 3.57Å; A135-L142 VanDerWaalsContact O-CA 3.28Å; A135-L142 WeakPolarHBondContact O-CA 3.47Å; A135-T143 PolarHBondContact N-O 3.2Å; A135-T143 PolarHBondContact O-N 3.28Å; A135-E236 HydrophobicContact CB-CB 3.94Å; A135-E236 HydrophobicContact CB-CG 4.11Å; A135-N238 VanDerWaalsContact CB-O 3.28Å; A135-N238 WeakPolarHBondContact CB-O 3.2Å
136R94.8Very high92.9Very high23 Ų2369.7 Ų69.79%0.08732%0.321CS..EExtended strand (participates in β ladder)trans-97.4124.4173.1-177.2-175.869175.6-14.5110.1Q140 R141 L213 N238 L245R136-Q140 VanDerWaalsContact CD-OE1 3.24Å; R136-R141 WeakPolarHBondContact CA-O 3.46Å; R136-L213 HydrophobicContact CB-CD1 4Å; R136-L213 HydrophobicContact CG-CD1 3.87Å; R136-N238 WeakPolarHBondContact CB-OD1 3.23Å; R136-N238 PolarHBondContact N-OD1 3.46Å; R136-N238 PolarHBondContact O-ND2 2.69Å; R136-N238 PolarHBondContact O-OD1 3.26Å; R136-L245 HydrophobicContact CB-CD1 3.77Å; R136-L245 HydrophobicContact CB-CD2 4.34Å
137N93.1Very high93Very high28 Ų2870.4 Ų70.415%0.1533%0.326CS..  trans-83.4179.917679.6-2.8000113.1E139 Q140 R141 T143 E236N137-E139 VanDerWaalsContact C-N 3.27Å; N137-E139 PolarHBondContact ND2-OE2 3.22Å; N137-E139 PolarHBondContact O-N 3.15Å; N137-E139 WeakPolarHBondContact OD1-CA 3.48Å; N137-E139 PolarHBondContact OD1-N 3.08Å; N137-E139 PolarHBondContact OD1-OE2 2.92Å; N137-Q140 PolarHBondContact O-N 3.08Å; N137-Q140 PolarHBondContact OD1-N 3.31Å; N137-Q140 VanDerWaalsContact OD1-N 3.16Å; N137-R141 PolarHBondContact N-O 2.79Å; N137-R141 PolarHBondContact OD1-N 3.28Å; N137-R141 PolarHBondContact OD1-O 2.94Å; N137-T143 HydrophobicContact CB-CG2 3.78Å; N137-E236 WeakPolarHBondContact CA-OE2 3.23Å
138K89.5Confident92.8Very high160 Ų16069.2 Ų69.270%0.69631%0.314SS*.THydrogen-bonded Turntrans-60.3-33178.6-66-179-178.7176.90113.3Q140K138-Q140 PolarHBondContact O-N 3.07Å
139E91.1Very high92.2Very high122 Ų12268 Ų6857%0.5731%0.31SS*.THydrogen-bonded Turntrans-80.712.4175.5-58.471.4-140.500113.6N137 R141N137-E139 VanDerWaalsContact C-N 3.27Å; N137-E139 PolarHBondContact ND2-OE2 3.22Å; N137-E139 PolarHBondContact O-N 3.15Å; N137-E139 WeakPolarHBondContact OD1-CA 3.48Å; N137-E139 PolarHBondContact OD1-N 3.08Å; N137-E139 PolarHBondContact OD1-OE2 2.92Å; E139-R141 PolarHBondContact O-N 3.26Å
140Q89.6Confident92.1Very high110 Ų11061.8 Ų61.851%0.51429%0.286SS..SBendtrans6320.2-179.2-51.3-64.1-53.200114.3R136 N137 K138R136-Q140 VanDerWaalsContact CD-OE1 3.24Å; N137-Q140 PolarHBondContact O-N 3.08Å; N137-Q140 PolarHBondContact OD1-N 3.31Å; N137-Q140 VanDerWaalsContact OD1-N 3.16Å; K138-Q140 PolarHBondContact O-N 3.07Å
141R92.4Very high91.3Very high178 Ų17857.1 Ų57.167%0.67227%0.266SS*.  trans-99149.8177.3-69.4-174.6160118.4-1111.2R136 N137 E139R136-R141 WeakPolarHBondContact CA-O 3.46Å; N137-R141 PolarHBondContact N-O 2.79Å; N137-R141 PolarHBondContact OD1-N 3.28Å; N137-R141 PolarHBondContact OD1-O 2.94Å; E139-R141 PolarHBondContact O-N 3.26Å
142L94.9Very high90.1Very high38 Ų3860 Ų6020%0.19928%0.279CS..EExtended strand (participates in β ladder)trans-71.3132.1171.7-65.9-176.7000110.1L134 A135 Q207 G211 L213 I240L134-L142 HydrophobicContact CD1-CB 4.05Å; L134-L142 HydrophobicContact CD2-CD1 3.97Å; L134-L142 HydrophobicContact CG-CB 4.34Å; L134-L142 HydrophobicContact CG-CD1 4.49Å; L134-L142 HydrophobicContact CG-CD2 4.42Å; A135-L142 CarbonylContact O-C 3.57Å; A135-L142 VanDerWaalsContact O-CA 3.28Å; A135-L142 WeakPolarHBondContact O-CA 3.47Å; L142-Q207 HydrophobicContact CD1-CG 4.13Å; L142-G211 VanDerWaalsContact CD1-O 3.25Å; L142-G211 WeakPolarHBondContact CD1-O 3.26Å; L142-L213 HydrophobicContact CD2-CD1 4Å; L142-L213 HydrophobicContact CD2-CD2 3.91Å; L142-L213 HydrophobicContact CD2-CG 3.76Å; L142-L213 HydrophobicContact CG-CG 4.23Å; L142-I240 HydrophobicContact CD2-CD1 3.87Å; L142-I240 HydrophobicContact CD2-CG1 3.98Å
143T95.9Very high88.7Confident51 Ų5157.6 Ų57.631%0.31328%0.276SS..EExtended strand (participates in β ladder)trans-144.3159.5178.4-168.10000110.4A135 N137 E236A135-T143 PolarHBondContact N-O 3.2Å; A135-T143 PolarHBondContact O-N 3.28Å; N137-T143 HydrophobicContact CB-CG2 3.78Å; T143-E236 HydrophobicContact CG2-CG 4.22Å
144Y96.8Very high87.3Confident107 Ų10761 Ų6142%0.4229%0.294SS..EExtended strand (participates in β ladder)trans-87.1114172.7-75.8-62.4000111T115 N116 K132 V133 L134T115-Y144 PolarHBondContact O-OH 2.87Å; N116-Y144 HydrophobicContact CB-CD1 3.95Å; N116-Y144 HydrophobicContact CB-CD2 3.9Å; N116-Y144 HydrophobicContact CB-CE1 4.12Å; N116-Y144 HydrophobicContact CB-CE2 4.05Å; N116-Y144 HydrophobicContact CB-CG 3.85Å; K132-Y144 WeakPolarHBondContact O-CD1 3.25Å; V133-Y144 CarbonylContact O-C 3.56Å; V133-Y144 WeakPolarHBondContact O-CA 3.29Å; L134-Y144 HydrophobicContact CB-CD1 4.46Å; L134-Y144 HydrophobicContact CB-CE1 4.23Å; L134-Y144 HydrophobicContact CD1-CD1 4.23Å; L134-Y144 HydrophobicContact CD1-CE1 4Å
145S96Very high85.9Confident2 Ų264.4 Ų64.41%0.01431%0.308CS..EExtended strand (participates in β ladder)trans-105.3132.8-179.5-1720000111.3K132 V133 E235 E236K132-S145 CarbonylContact C-O 3.58Å; K132-S145 WeakPolarHBondContact CA-O 3.36Å; V133-S145 PolarHBondContact N-O 2.5Å; V133-S145 PolarHBondContact O-N 3.46Å; S145-E235 WeakPolarHBondContact OG-CB 3.35Å; S145-E235 PolarHBondContact OG-N 3.32Å; S145-E236 PolarHBondContact OG-N 2.82Å
146P93.8Very high84.7Confident33 Ų3372.8 Ų72.821%0.21435%0.345CS..EExtended strand (participates in β ladder)trans-65.2145.4174.428.4-33.8000111.4K132 M148 T234 E235K132-P146 HydrophobicContact CG-CB 4.4Å; P146-M148 HydrophobicContact CB-SD 4.21Å; P146-M148 HydrophobicContact CG-SD 3.88Å; P146-M148 PolarHBondContact O-N 3.34Å; P146-T234 VanDerWaalsContact O-CA 3.31Å; P146-T234 WeakPolarHBondContact O-CA 3.42Å; P146-E235 HydrophobicContact CG-CB 4.01Å; P146-E235 PolarHBondContact O-N 3.47Å
147V89.8Confident83.9Confident34 Ų3476.1 Ų76.121%0.20636%0.361CS..EExtended strand (participates in β ladder)trans-81.9111.9167.4-177.90000108.1L125 V133 W150 P232 I233L125-V147 HydrophobicContact CD2-CG2 4.07Å; V133-V147 HydrophobicContact CG1-CG2 3.95Å; V133-V147 HydrophobicContact CG2-CG2 4.16Å; V147-W150 HydrophobicContact CG1-CZ2 4.18Å; V147-P232 HydrophobicContact CG1-CB 3.82Å; V147-I233 CarbonylContact C-O 3.49Å
148M84.1Confident83.5Confident76 Ų7680.9 Ų80.937%0.37438%0.378SS..EExtended strand (participates in β ladder)trans-81.8-38.5-174.5-57-59.7-71.900112P146 I233 E235 F266P146-M148 HydrophobicContact CB-SD 4.21Å; P146-M148 HydrophobicContact CG-SD 3.88Å; P146-M148 PolarHBondContact O-N 3.34Å; M148-I233 PolarHBondContact N-O 3.27Å; M148-E235 HydrophobicContact CG-CB 4.24Å; M148-E235 HydrophobicContact SD-CB 4.32Å; M148-F266 HydrophobicContact CB-CD2 4.45Å; M148-F266 HydrophobicContact CB-CE1 3.89Å; M148-F266 HydrophobicContact CB-CE2 3.72Å; M148-F266 HydrophobicContact CB-CZ 3.4Å; M148-F266 VanDerWaalsContact CB-CZ 3.4Å; M148-F266 HydrophobicContact CE-CB 4.49Å; M148-F266 HydrophobicContact CE-CD1 4.37Å; M148-F266 HydrophobicContact CE-CD2 4.25Å; M148-F266 HydrophobicContact CE-CG 4.14Å; M148-F266 HydrophobicContact CG-CE2 4.09Å; M148-F266 HydrophobicContact CG-CZ 4.27Å
149S78Confident83.2Confident25 Ų2573.4 Ų73.418%0.17535%0.346CS..EExtended strand (participates in β ladder)trans-160.3177.2-18066.70000111.9I233S149-I233 PolarHBondContact N-O 2.86Å; S149-I233 PolarHBondContact O-N 3.03Å
150W82.6Confident83.2Confident38 Ų3870.8 Ų70.814%0.14433%0.334CS..EExtended strand (participates in β ladder)trans-131.2124.1176.9-65.578.2000109.3M122 L125 I126 V147 Y230 S231 P232M122-W150 HydrophobicContact SD-CH2 4.26Å; M122-W150 HydrophobicContact SD-CZ3 4.27Å; L125-W150 HydrophobicContact CB-CH2 4.14Å; L125-W150 HydrophobicContact CB-CZ2 4.31Å; L125-W150 HydrophobicContact CD2-CH2 3.69Å; L125-W150 HydrophobicContact CD2-CZ2 3.85Å; L125-W150 HydrophobicContact CG-CH2 4Å; L125-W150 HydrophobicContact CG-CZ2 3.87Å; I126-W150 VanDerWaalsContact CA-CZ2 3.41Å; I126-W150 HydrophobicContact CB-CD2 4.48Å; I126-W150 HydrophobicContact CB-CH2 3.9Å; I126-W150 HydrophobicContact CB-CZ2 3.78Å; I126-W150 HydrophobicContact CB-CZ3 4.35Å; I126-W150 HydrophobicContact CD1-CD2 4.1Å; I126-W150 HydrophobicContact CD1-CE3 4.19Å; I126-W150 HydrophobicContact CD1-CG 4.43Å; I126-W150 HydrophobicContact CG1-CD2 3.89Å; I126-W150 HydrophobicContact CG1-CE3 4.29Å; I126-W150 HydrophobicContact CG1-CG 4.31Å; I126-W150 HydrophobicContact CG1-CH2 4.36Å; I126-W150 HydrophobicContact CG1-CZ2 4.01Å; V147-W150 HydrophobicContact CG1-CZ2 4.18Å; W150-Y230 HydrophobicContact CE3-CD1 4.33Å; W150-Y230 HydrophobicContact CH2-CD1 4.47Å; W150-Y230 AromaticContact CZ3-CD1 3.77Å; W150-Y230 HydrophobicContact CZ3-CD1 3.77Å; W150-Y230 HydrophobicContact CZ3-CG 4.38Å; W150-S231 WeakPolarHBondContact CA-O 3.3Å; W150-P232 HydrophobicContact CD2-CB 4.16Å; W150-P232 HydrophobicContact CE3-CB 3.91Å; W150-P232 HydrophobicContact CH2-CB 4.01Å; W150-P232 HydrophobicContact CH2-CG 4.41Å; W150-P232 HydrophobicContact CZ2-CB 4.2Å; W150-P232 HydrophobicContact CZ3-CB 3.82Å; W150-P232 HydrophobicContact CZ3-CG 4.09Å
151I73.4Confident83.4Confident63 Ų6365.5 Ų65.532%0.32331%0.309SS..EExtended strand (participates in β ladder)trans-75.2-45.8176.7-56.9174.5000109.9S231 I233I151-S231 PolarHBondContact N-O 2.86Å; I151-I233 HydrophobicContact CD1-CD1 3.82Å; I151-I233 HydrophobicContact CD1-CG1 4.01Å; I151-I233 HydrophobicContact CG1-CD1 3.65Å; I151-I233 HydrophobicContact CG1-CG1 3.86Å
152H68.8Low83.5Confident65 Ų6557.8 Ų57.830%0.30128%0.282SS..EExtended strand (participates in β ladder)trans-132.4144.8178.9-65.9146.6000110.9C106 F229 Y230 S231C106-H152 PolarHBondContact SG-ND1 3.36Å; C106-H152 VanDerWaalsContact SG-ND1 3.35Å; H152-F229 CarbonylContact C-O 3.56Å; H152-Y230 WeakPolarHBondContact O-CA 3.44Å; H152-S231 PolarHBondContact O-N 3.47Å
153A66.8Low83.6Confident42 Ų4257.6 Ų57.635%0.34728%0.281SS..EExtended strand (participates in β ladder)trans-153.655.5-178.500000111.6I126 F229I126-A153 HydrophobicContact CD1-CB 3.22Å; A153-F229 CarbonylContact C-O 3.54Å; A153-F229 VanDerWaalsContact CA-O 3.24Å; A153-F229 WeakPolarHBondContact CA-O 3.14Å; A153-F229 PolarHBondContact N-O 2.83Å
154N67.5Low83.7Confident71 Ų7155.3 Ų55.338%0.3827%0.267SS..EExtended strand (participates in β ladder)trans-97.7108.1177-169.5-17.5000110.7K156 Q157 G228 F229N154-K156 PolarHBondContact O-N 3.23Å; N154-K156 PolarHBondContact OD1-N 2.8Å; N154-Q157 PolarHBondContact ND2-OE1 2.94Å; N154-Q157 VanDerWaalsContact ND2-OE1 3.16Å; N154-G228 CarbonylContact O-C 3.54Å; N154-G228 VanDerWaalsContact O-CA 3.28Å; N154-G228 WeakPolarHBondContact O-CA 3.3Å; N154-F229 HydrophobicContact CB-CB 4.34Å; N154-F229 HydrophobicContact CB-CD2 4.38Å; N154-F229 PolarHBondContact N-O 2.69Å; N154-F229 PolarHBondContact O-N 3.2Å
155K67.4Low83.8Confident87 Ų8750.7 Ų50.738%0.37825%0.249SC..EExtended strand (participates in β ladder)trans-74.7-21.4-172.4-47.2-162.9176.7-174.60114.6K227 Y230K155-K227 VanDerWaalsContact O-CE 3.31Å; K155-K227 WeakPolarHBondContact O-CE 3.33Å; K155-Y230 WeakPolarHBondContact CG-OH 3.15Å
156K73.5Confident83.9Confident176 Ų17650.6 Ų50.677%0.76525%0.249SC*.EExtended strand (participates in β ladder)trans-111.1-13.6-163-65.5-173.7-179.6-179.40114.9N154N154-K156 PolarHBondContact O-N 3.23Å; N154-K156 PolarHBondContact OD1-N 2.8Å
157Q78.1Confident84Confident93 Ų9353.8 Ų53.844%0.43526%0.261SS..EExtended strand (participates in β ladder)trans-88.8141.5-173.5-170.2-172.4-17.500111.2N154 G228 F229N154-Q157 PolarHBondContact ND2-OE1 2.94Å; N154-Q157 VanDerWaalsContact ND2-OE1 3.16Å; Q157-G228 PolarHBondContact O-N 3.34Å; Q157-F229 HydrophobicContact CB-CD2 3.87Å; Q157-F229 HydrophobicContact CB-CE2 3.5Å; Q157-F229 VanDerWaalsContact CB-CE2 3.5Å; Q157-F229 VanDerWaalsContact CD-CE2 3.45Å; Q157-F229 HydrophobicContact CG-CD2 4.3Å; Q157-F229 HydrophobicContact CG-CE2 3.47Å; Q157-F229 VanDerWaalsContact CG-CE2 3.47Å; Q157-F229 HydrophobicContact CG-CZ 4.22Å
158Y84.4Confident84.3Confident128 Ų12853.7 Ų53.750%0.50226%0.26SS..EExtended strand (participates in β ladder)trans-92.9149.5172.3-74.2-104.9000110.4E225 K226 K227Y158-E225 HydrophobicContact CD1-CG 4.17Å; Y158-K226 WeakPolarHBondContact CA-O 3.46Å; Y158-K227 HydrophobicContact CD1-CB 4.11Å; Y158-K227 HydrophobicContact CD2-CG 4.36Å; Y158-K227 HydrophobicContact CE1-CB 3.78Å; Y158-K227 HydrophobicContact CE1-CG 4.41Å; Y158-K227 HydrophobicContact CE2-CB 4.22Å; Y158-K227 HydrophobicContact CE2-CD 4.15Å; Y158-K227 HydrophobicContact CE2-CG 3.95Å; Y158-K227 HydrophobicContact CG-CB 4.49Å
159A83.1Confident84.9Confident2 Ų256 Ų562%0.01727%0.274CS..EExtended strand (participates in β ladder)trans-141.8160.7178.400000111.5Y161 E225 K226 F229A159-Y161 HydrophobicContact CB-CD2 3.96Å; A159-Y161 HydrophobicContact CB-CE2 3.52Å; A159-Y161 VanDerWaalsContact O-CD2 3.32Å; A159-Y161 WeakPolarHBondContact O-CD2 3.32Å; A159-E225 VanDerWaalsContact O-CA 3.32Å; A159-E225 WeakPolarHBondContact O-CA 3.43Å; A159-K226 PolarHBondContact N-O 3.16Å; A159-K226 PolarHBondContact O-N 2.78Å; A159-F229 HydrophobicContact CB-CD1 4.43Å; A159-F229 HydrophobicContact CB-CE1 3.37Å; A159-F229 HydrophobicContact CB-CE2 3.92Å; A159-F229 HydrophobicContact CB-CZ 3.09Å
160E89.6Confident85.8Confident67 Ų6756.6 Ų56.631%0.31327%0.274SS..EExtended strand (participates in β ladder)trans-69.8134.3159.7-172.2178.793.600109.9P176 K223 A224E160-P176 WeakPolarHBondContact O-CD 3.4Å; E160-K223 VanDerWaalsContact CD-NZ 3.25Å; E160-K223 IonicContact OE1-NZ 3.95Å; E160-K223 PolarHBondContact OE1-NZ 2.88Å; E160-K223 WeakPolarHBondContact OE2-CD 3.39Å; E160-K223 WeakPolarHBondContact OE2-CE 3.45Å; E160-K223 IonicContact OE2-NZ 2.69Å; E160-K223 PolarHBondContact OE2-NZ 3.42Å; E160-A224 CarbonylContact C-O 3.4Å
161Y93.7Very high86.5Confident0 Ų061.6 Ų61.60%029%0.293CS..EExtended strand (participates in β ladder)trans-127.1151.2174.6-78.3-101.2000109.7C106 F107 P108 A159 L174 T175 K223 A224 K226 G228C106-Y161 WeakPolarHBondContact O-CE1 3.33Å; F107-Y161 PolarHBondContact O-OH 3.06Å; P108-Y161 HydrophobicContact CB-CE1 4.05Å; P108-Y161 HydrophobicContact CB-CE2 4.42Å; P108-Y161 VanDerWaalsContact CD-CE1 3.43Å; P108-Y161 HydrophobicContact CG-CE1 4.21Å; A159-Y161 HydrophobicContact CB-CD2 3.96Å; A159-Y161 HydrophobicContact CB-CE2 3.52Å; A159-Y161 VanDerWaalsContact O-CD2 3.32Å; A159-Y161 WeakPolarHBondContact O-CD2 3.32Å; Y161-L174 CarbonylContact C-O 3.49Å; Y161-L174 WeakPolarHBondContact CA-O 3.36Å; Y161-T175 HydrophobicContact CD1-CG2 4.17Å; Y161-T175 HydrophobicContact CE1-CG2 3.63Å; Y161-T175 HydrophobicContact CE2-CG2 4.1Å; Y161-K223 CarbonylContact O-C 3.53Å; Y161-K223 WeakPolarHBondContact O-CA 3.05Å; Y161-A224 PolarHBondContact N-O 2.89Å; Y161-A224 PolarHBondContact O-N 2.82Å; Y161-K226 HydrophobicContact CD2-CB 3.48Å; Y161-K226 VanDerWaalsContact CD2-CB 3.48Å; Y161-K226 HydrophobicContact CD2-CG 3.9Å; Y161-K226 HydrophobicContact CE2-CB 3.73Å; Y161-K226 HydrophobicContact CG-CB 3.99Å; Y161-K226 HydrophobicContact CG-CG 3.94Å; Y161-G228 PolarHBondContact OH-O 3.42Å
162V95.9Very high87.6Confident16 Ų1658.7 Ų58.710%0.09728%0.278CS..EExtended strand (participates in β ladder)trans-92.2109.3164-176.50000107.2V164 S173 L174 A195 L221 K222V162-V164 HydrophobicContact CG1-CG2 4.13Å; V162-S173 WeakPolarHBondContact O-CA 3.44Å; V162-L174 PolarHBondContact N-O 2.83Å; V162-L174 PolarHBondContact O-N 2.84Å; V162-A195 HydrophobicContact CB-CB 4.27Å; V162-A195 HydrophobicContact CG2-CB 4.3Å; V162-L221 HydrophobicContact CG1-CD2 4.07Å; V162-K222 CarbonylContact C-O 3.6Å; V162-K222 WeakPolarHBondContact CA-O 3.46Å
163D96.6Very high88.9Confident34 Ų3456.2 Ų56.218%0.18227%0.268CS..EExtended strand (participates in β ladder)trans-81.1117.8168.8-83.49.3000108.8S173 L221 K222 A224 K226D163-S173 VanDerWaalsContact OD1-CB 3.25Å; D163-S173 WeakPolarHBondContact OD1-CB 3.16Å; D163-S173 PolarHBondContact OD1-OG 3.47Å; D163-L221 CarbonylContact O-C 3.39Å; D163-L221 WeakPolarHBondContact O-CA 3.45Å; D163-K222 HydrophobicContact CB-CB 4.23Å; D163-K222 PolarHBondContact N-O 3.46Å; D163-K222 PolarHBondContact O-N 2.92Å; D163-A224 HydrophobicContact CB-CB 4.36Å; D163-A224 VanDerWaalsContact CG-CB 3.47Å; D163-A224 WeakPolarHBondContact OD2-CB 3.28Å; D163-K226 WeakPolarHBondContact OD1-CE 2.84Å; D163-K226 IonicContact OD2-NZ 2.99Å
164V97.9Very high90.2Very high2 Ų254.2 Ų54.21%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-107.9128.5178.9-168.70000109.1V162 R171 L172 L198 L204 I218 L221V162-V164 HydrophobicContact CG1-CG2 4.13Å; V164-R171 VanDerWaalsContact O-CA 3.31Å; V164-R171 WeakPolarHBondContact O-CA 3.39Å; V164-L172 PolarHBondContact N-O 2.75Å; V164-L172 PolarHBondContact O-N 2.9Å; V164-L198 HydrophobicContact CB-CD1 4.46Å; V164-L198 HydrophobicContact CG1-CD1 4.24Å; V164-L198 HydrophobicContact CG2-CD1 3.39Å; V164-L204 HydrophobicContact CG1-CD1 3.69Å; V164-I218 HydrophobicContact CG1-CD1 4.27Å; V164-I218 HydrophobicContact CG1-CG1 4.02Å; V164-I218 HydrophobicContact CG1-CG2 3.92Å; V164-L221 HydrophobicContact CB-CD2 4.11Å; V164-L221 HydrophobicContact CG1-CD2 3.81Å; V164-L221 HydrophobicContact CG2-CD2 3.76Å
165I98Very high91.4Very high10 Ų1050.8 Ų50.85%0.05123%0.233CC..EExtended strand (participates in β ladder)trans-123.2129.6178.8-56.4154.9000108.6H170 R171 V219 E220I165-H170 WeakPolarHBondContact CA-O 3.43Å; I165-R171 HydrophobicContact CG1-CG 4.15Å; I165-R171 HydrophobicContact CG2-CG 4.49Å; I165-V219 HydrophobicContact CB-CG2 4.43Å; I165-V219 HydrophobicContact CG2-CG2 4.02Å; I165-V219 WeakPolarHBondContact O-CG2 3.37Å; I165-V219 PolarHBondContact O-N 2.75Å; I165-E220 HydrophobicContact CB-CB 4.12Å; I165-E220 HydrophobicContact CD1-CB 4.01Å; I165-E220 HydrophobicContact CD1-CG 3.86Å; I165-E220 WeakPolarHBondContact CD1-OE2 3.33Å; I165-E220 PolarHBondContact N-O 3.18Å; I165-E220 PolarHBondContact O-N 3.35Å
166T98.1Very high92.5Very high1 Ų147.3 Ų47.31%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-99.5163.6178.971.20000112.4T168 N169 H170 L204 V206 A216 R217T166-T168 PolarHBondContact O-N 3.21Å; T166-T168 VanDerWaalsContact O-N 3.12Å; T166-T168 PolarHBondContact OG1-N 2.86Å; T166-T168 PolarHBondContact OG1-OG1 3.25Å; T166-N169 PolarHBondContact O-N 2.86Å; T166-H170 HydrophobicContact CG2-CB 4.35Å; T166-H170 PolarHBondContact N-O 3.45Å; T166-H170 WeakPolarHBondContact OG1-CB 3.33Å; T166-H170 PolarHBondContact OG1-N 3.26Å; T166-L204 HydrophobicContact CG2-CD1 4.48Å; T166-V206 HydrophobicContact CG2-CG1 4.23Å; T166-A216 HydrophobicContact CG2-CB 4.38Å; T166-R217 CarbonylContact C-O 3.55Å; T166-R217 WeakPolarHBondContact CA-O 3.32Å; T166-R217 WeakPolarHBondContact CB-O 3.47Å
167E97.5Very high93.2Very high100 Ų10040.1 Ų40.147%0.46719%0.189SC..THydrogen-bonded Turntrans-61.1-18.6174.773.2-166.4152.600112.9N169 R217 V219E167-N169 VanDerWaalsContact C-N 3.31Å; E167-R217 HydrophobicContact CB-CB 4.4Å; E167-R217 VanDerWaalsContact CD-CB 3.4Å; E167-R217 HydrophobicContact CG-CB 4.14Å; E167-R217 PolarHBondContact N-O 3.35Å; E167-R217 WeakPolarHBondContact OE1-CB 3.16Å; E167-R217 PolarHBondContact OE1-N 2.97Å; E167-R217 WeakPolarHBondContact OE2-CB 3.38Å; E167-V219 HydrophobicContact CB-CG1 3.67Å
168T96.1Very high93.8Very high31 Ų3135.8 Ų35.819%0.1917%0.169CC..THydrogen-bonded Turntrans-94.816.6176.955.70000112.3T166 H170 A216T166-T168 PolarHBondContact O-N 3.21Å; T166-T168 VanDerWaalsContact O-N 3.12Å; T166-T168 PolarHBondContact OG1-N 2.86Å; T166-T168 PolarHBondContact OG1-OG1 3.25Å; T168-H170 PolarHBondContact O-N 2.84Å; T168-H170 PolarHBondContact O-ND1 3.4Å; T168-H170 PolarHBondContact OG1-CE1 3.38Å; T168-H170 PolarHBondContact OG1-ND1 2.97Å; T168-A216 HydrophobicContact CG2-CB 3.83Å; T168-A216 WeakPolarHBondContact OG1-CB 3.48Å
169N95.7Very high94.1Very high126 Ų12630.9 Ų30.967%0.67415%0.151SC*.  trans61.116179.5-67.8-48.9000116T166 E167T166-N169 PolarHBondContact O-N 2.86Å; E167-N169 VanDerWaalsContact C-N 3.31Å
170H96.7Very high94.7Very high36 Ų3630.8 Ų30.817%0.16715%0.151CC..  trans-71.1141169.6-63.273.5000109.1I165 T166 T168 V206 N242 V244I165-H170 WeakPolarHBondContact CA-O 3.43Å; T166-H170 HydrophobicContact CG2-CB 4.35Å; T166-H170 PolarHBondContact N-O 3.45Å; T166-H170 WeakPolarHBondContact OG1-CB 3.33Å; T166-H170 PolarHBondContact OG1-N 3.26Å; T168-H170 PolarHBondContact O-N 2.84Å; T168-H170 PolarHBondContact O-ND1 3.4Å; T168-H170 PolarHBondContact OG1-CE1 3.38Å; T168-H170 PolarHBondContact OG1-ND1 2.97Å; H170-V206 HydrophobicContact CB-CG1 4.3Å; H170-N242 PolarHBondContact CD2-O 3.09Å; H170-V244 HydrophobicContact CB-CG2 3.75Å
171R96.9Very high94.9Very high143 Ų14327.8 Ų27.854%0.5414%0.136SC..EExtended strand (participates in β ladder)trans-129.6116.9-179.6-58.4-172.4-179.7-97.3-6.2109.5V164 I165 N242V164-R171 VanDerWaalsContact O-CA 3.31Å; V164-R171 WeakPolarHBondContact O-CA 3.39Å; I165-R171 HydrophobicContact CG1-CG 4.15Å; I165-R171 HydrophobicContact CG2-CG 4.49Å; R171-N242 WeakPolarHBondContact O-CB 3.34Å; R171-N242 PolarHBondContact O-ND2 2.99Å
172L97.3Very high95Very high2 Ų228.3 Ų28.31%0.0114%0.139CC..EExtended strand (participates in β ladder)trans-123.8132.6178.7177.965.8000110F107 V164 L174 I180 V241 V244 A246F107-L172 HydrophobicContact CD1-CD1 4.3Å; F107-L172 HydrophobicContact CE1-CD1 4.26Å; V164-L172 PolarHBondContact N-O 2.75Å; V164-L172 PolarHBondContact O-N 2.9Å; L172-L174 HydrophobicContact CD1-CD2 4.33Å; L172-L174 HydrophobicContact CD2-CD1 3.88Å; L172-L174 HydrophobicContact CD2-CD2 4.12Å; L172-L174 HydrophobicContact CD2-CG 3.93Å; L172-L174 HydrophobicContact CG-CD1 4.44Å; L172-L174 HydrophobicContact CG-CD2 4.21Å; L172-L174 HydrophobicContact CG-CG 3.99Å; L172-I180 HydrophobicContact CD2-CD1 3.75Å; L172-V241 HydrophobicContact CD1-CB 3.68Å; L172-V241 HydrophobicContact CD1-CG1 3.59Å; L172-V244 HydrophobicContact CB-CB 4.24Å; L172-V244 HydrophobicContact CB-CG2 4.03Å; L172-V244 HydrophobicContact CD2-CB 3.92Å; L172-V244 HydrophobicContact CD2-CG1 3.75Å; L172-A246 HydrophobicContact CD2-CB 4.44Å
173S96.4Very high95Very high13 Ų1327.8 Ų27.89%0.09114%0.135CC..EExtended strand (participates in β ladder)trans-108.5126.1174.2-55.90000109.7P108 V162 D163 K226P108-S173 WeakPolarHBondContact CD-O 3.4Å; V162-S173 WeakPolarHBondContact O-CA 3.44Å; D163-S173 VanDerWaalsContact OD1-CB 3.25Å; D163-S173 WeakPolarHBondContact OD1-CB 3.16Å; D163-S173 PolarHBondContact OD1-OG 3.47Å; S173-K226 WeakPolarHBondContact OG-CE 3.38Å
174L94.6Very high94.9Very high0 Ų030.2 Ų30.20%015%0.149CC..EExtended strand (participates in β ladder)trans-131.7143.8178-65.8177.3000111.2F107 Y161 V162 L172 H178 I180 A195F107-L174 HydrophobicContact CD1-CD2 3.48Å; F107-L174 VanDerWaalsContact CD1-CD2 3.48Å; F107-L174 HydrophobicContact CE1-CD2 3.21Å; F107-L174 HydrophobicContact CZ-CD2 4.08Å; Y161-L174 CarbonylContact C-O 3.49Å; Y161-L174 WeakPolarHBondContact CA-O 3.36Å; V162-L174 PolarHBondContact N-O 2.83Å; V162-L174 PolarHBondContact O-N 2.84Å; L172-L174 HydrophobicContact CD1-CD2 4.33Å; L172-L174 HydrophobicContact CD2-CD1 3.88Å; L172-L174 HydrophobicContact CD2-CD2 4.12Å; L172-L174 HydrophobicContact CD2-CG 3.93Å; L172-L174 HydrophobicContact CG-CD1 4.44Å; L172-L174 HydrophobicContact CG-CD2 4.21Å; L172-L174 HydrophobicContact CG-CG 3.99Å; L174-H178 HydrophobicContact CB-CB 3.95Å; L174-H178 HydrophobicContact CD1-CB 4.44Å; L174-H178 HydrophobicContact CD2-CB 4.22Å; L174-H178 HydrophobicContact CG-CB 4.44Å; L174-I180 HydrophobicContact CD1-CB 4.01Å; L174-I180 HydrophobicContact CD1-CD1 3.86Å; L174-I180 HydrophobicContact CD1-CG1 4.45Å; L174-I180 HydrophobicContact CD1-CG2 4.34Å; L174-A195 HydrophobicContact CB-CB 3.7Å; L174-A195 HydrophobicContact CD1-CB 3.96Å; L174-A195 HydrophobicContact CG-CB 4.5Å
175T91.8Very high94.7Very high0 Ų031.5 Ų31.50%016%0.157CC..  trans-63.5154.3167.758.80000110.7A104 R105 C106 Y161 L177 H178 A195 F229A104-T175 HydrophobicContact CB-CG2 4.1Å; A104-T175 WeakPolarHBondContact O-CB 3.33Å; A104-T175 PolarHBondContact O-OG1 3.27Å; R105-T175 WeakPolarHBondContact CA-OG1 3.36Å; R105-T175 PolarHBondContact N-OG1 2.86Å; C106-T175 HydrophobicContact CB-CG2 4.04Å; C106-T175 PolarHBondContact N-OG1 2.94Å; C106-T175 PolarHBondContact O-N 3.35Å; C106-T175 VanDerWaalsContact O-N 3.11Å; Y161-T175 HydrophobicContact CD1-CG2 4.17Å; Y161-T175 HydrophobicContact CE1-CG2 3.63Å; Y161-T175 HydrophobicContact CE2-CG2 4.1Å; T175-L177 PolarHBondContact O-N 2.76Å; T175-H178 WeakPolarHBondContact O-CB 3.41Å; T175-H178 PolarHBondContact O-N 3.18Å; T175-A195 WeakPolarHBondContact O-CB 3.3Å; T175-F229 HydrophobicContact CG2-CD1 4.43Å; T175-F229 HydrophobicContact CG2-CE1 4.33Å
176P91.1Very high94.4Very high13 Ų1339.7 Ų39.78%0.08419%0.193CC..THydrogen-bonded Turntrans-52.7-31.4-170.5-32.737.5000116.4E160 A195 K196E160-P176 WeakPolarHBondContact O-CD 3.4Å; P176-A195 PolarHBondContact O-N 3.06Å; P176-K196 HydrophobicContact CB-CB 4.02Å; P176-K196 HydrophobicContact CB-CD 4.35Å; P176-K196 WeakPolarHBondContact O-CB 3.25Å; P176-K196 WeakPolarHBondContact O-CG 3.44Å; P176-K196 PolarHBondContact O-N 3.29Å
177L87.9Confident93.5Very high26 Ų2641.6 Ų41.614%0.13621%0.212CC..THydrogen-bonded Turntrans-96.1-0.7-177-56-173.8000114.3G102 R105 T175 M194 K196G102-L177 VanDerWaalsContact O-CD1 3.3Å; G102-L177 WeakPolarHBondContact O-CD1 3.43Å; R105-L177 HydrophobicContact CG-CB 3.74Å; T175-L177 PolarHBondContact O-N 2.76Å; L177-M194 HydrophobicContact CB-SD 4.5Å; L177-M194 HydrophobicContact CD2-SD 3.68Å; L177-K196 HydrophobicContact CD2-CD 4Å
178H91.2Very high92.6Very high1 Ų139.7 Ų39.71%0.00522%0.219CC..  trans-66.6135.5179.1-158.2113000110.9R105 C106 F107 L174 T175 M194 A195 S247R105-H178 VanDerWaalsContact C-ND1 3.27Å; C106-H178 PolarHBondContact N-ND1 2.68Å; F107-H178 AromaticContact CD2-CE1 3.77Å; F107-H178 AromaticContact CE1-CE1 3.98Å; F107-H178 AromaticContact CE1-NE2 3.95Å; F107-H178 AromaticContact CE2-CE1 3.23Å; F107-H178 WeakPolarHBondContact CE2-CE1 3.22Å; F107-H178 AromaticContact CE2-NE2 3.59Å; F107-H178 AromaticContact CZ-CE1 3.34Å; F107-H178 WeakPolarHBondContact CZ-CE1 3.44Å; F107-H178 AromaticContact CZ-NE2 3.25Å; F107-H178 WeakPolarHBondContact CZ-NE2 3.21Å; L174-H178 HydrophobicContact CB-CB 3.95Å; L174-H178 HydrophobicContact CD1-CB 4.44Å; L174-H178 HydrophobicContact CD2-CB 4.22Å; L174-H178 HydrophobicContact CG-CB 4.44Å; T175-H178 WeakPolarHBondContact O-CB 3.41Å; T175-H178 PolarHBondContact O-N 3.18Å; H178-M194 CarbonylContact O-C 3.53Å; H178-M194 WeakPolarHBondContact O-CA 3.39Å; H178-A195 PolarHBondContact O-N 3.43Å; H178-S247 PolarHBondContact NE2-O 2.92Å
179L91.2Very high91.8Very high26 Ų2645.9 Ų45.914%0.13625%0.25CS..EExtended strand (participates in β ladder)trans-83.5138.1179.6-63.3176.4000112.7T192 V193 M194 S247 F249L179-T192 HydrophobicContact CB-CG2 3.71Å; L179-T192 HydrophobicContact CD1-CG2 3.94Å; L179-T192 HydrophobicContact CD2-CG2 4.26Å; L179-T192 HydrophobicContact CG-CG2 4.17Å; L179-V193 CarbonylContact C-O 3.44Å; L179-V193 VanDerWaalsContact CA-O 3.3Å; L179-V193 WeakPolarHBondContact CA-O 3.27Å; L179-M194 HydrophobicContact CD2-CG 3.87Å; L179-S247 WeakPolarHBondContact O-CB 3.4Å; L179-S247 PolarHBondContact O-N 3.45Å; L179-F249 VanDerWaalsContact CB-O 3.23Å; L179-F249 WeakPolarHBondContact CB-O 3.32Å; L179-F249 HydrophobicContact CD1-CB 4.46Å; L179-F249 WeakPolarHBondContact CG-O 3.34Å; L179-F249 PolarHBondContact N-O 3.16Å
180I94.5Very high91.4Very high0 Ų042.3 Ų42.30%023%0.233CC..EExtended strand (participates in β ladder)trans-139.9152.8178.8-173.9167.3000110.7L172 L174 T192 V193 L198 L204 V244L172-I180 HydrophobicContact CD2-CD1 3.75Å; L174-I180 HydrophobicContact CD1-CB 4.01Å; L174-I180 HydrophobicContact CD1-CD1 3.86Å; L174-I180 HydrophobicContact CD1-CG1 4.45Å; L174-I180 HydrophobicContact CD1-CG2 4.34Å; I180-T192 WeakPolarHBondContact O-CA 3.37Å; I180-V193 HydrophobicContact CG2-CG2 4.08Å; I180-V193 PolarHBondContact N-O 3.46Å; I180-V193 PolarHBondContact O-N 2.84Å; I180-L198 HydrophobicContact CG2-CD1 4.04Å; I180-L198 HydrophobicContact CG2-CD2 3.65Å; I180-L198 HydrophobicContact CG2-CG 3.95Å; I180-L204 HydrophobicContact CD1-CD1 3.7Å; I180-L204 HydrophobicContact CD1-CD2 3.78Å; I180-L204 HydrophobicContact CD1-CG 4.34Å; I180-L204 HydrophobicContact CG1-CD2 3.99Å; I180-V244 HydrophobicContact CD1-CG1 4.23Å
181Y94.4Very high91.1Very high3 Ų347.3 Ų47.31%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-84.8116.1179.4-56.4-72.2000111T190 K191 L204 N238 L245 E255Y181-T190 HydrophobicContact CD1-CG2 3.88Å; Y181-T190 HydrophobicContact CG-CG2 4.19Å; Y181-K191 CarbonylContact C-O 3.54Å; Y181-K191 WeakPolarHBondContact CA-O 3.4Å; Y181-L204 WeakPolarHBondContact O-CD2 3.32Å; Y181-N238 HydrophobicContact CE2-CB 4.08Å; Y181-L245 HydrophobicContact CD2-CB 4.44Å; Y181-L245 HydrophobicContact CD2-CD2 3.55Å; Y181-L245 HydrophobicContact CD2-CG 3.61Å; Y181-L245 HydrophobicContact CE2-CD2 3.88Å; Y181-L245 HydrophobicContact CE2-CG 3.81Å; Y181-L245 HydrophobicContact CG-CD2 4.25Å; Y181-E255 VanDerWaalsContact CE1-OE2 3.25Å; Y181-E255 WeakPolarHBondContact CE1-OE2 3.48Å; Y181-E255 VanDerWaalsContact OH-CD 3.28Å; Y181-E255 PolarHBondContact OH-OE1 2.86Å; Y181-E255 PolarHBondContact OH-OE2 3.06Å
182E95.3Very high90.8Very high11 Ų1143.3 Ų43.35%0.05125%0.246CC..EExtended strand (participates in β ladder)trans-114.8142.3177.6-167.9-172.3-117.100110.8K191 V193 L198 T199 N202 C203E182-K191 PolarHBondContact N-O 3.4Å; E182-K191 PolarHBondContact O-N 3.01Å; E182-V193 HydrophobicContact CB-CG2 3.84Å; E182-L198 HydrophobicContact CB-CD2 4.27Å; E182-L198 HydrophobicContact CG-CD2 4.28Å; E182-T199 PolarHBondContact OE1-N 3.34Å; E182-N202 HydrophobicContact CG-CB 3.69Å; E182-N202 PolarHBondContact OE1-ND2 2.8Å; E182-N202 PolarHBondContact OE2-ND2 2.76Å; E182-C203 CarbonylContact C-O 3.56Å; E182-C203 WeakPolarHBondContact CA-O 3.36Å
183T95.6Very high90.5Very high5 Ų544.2 Ų44.23%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-130.1168174.585.40000111.4C185 T190 N202 C203 Y205 E215T183-C185 VanDerWaalsContact C-N 3.27Å; T183-C185 PolarHBondContact O-N 3.32Å; T183-C185 PolarHBondContact OG1-N 2.89Å; T183-T190 HydrophobicContact CG2-CG2 4.39Å; T183-N202 WeakPolarHBondContact O-CB 3.34Å; T183-C203 PolarHBondContact N-O 2.52Å; T183-C203 PolarHBondContact O-N 2.88Å; T183-C203 WeakPolarHBondContact OG1-CB 3.23Å; T183-Y205 HydrophobicContact CG2-CD2 4.4Å; T183-Y205 HydrophobicContact CG2-CE1 4.47Å; T183-Y205 HydrophobicContact CG2-CE2 3.61Å; T183-E215 WeakPolarHBondContact CB-OE1 3.31Å; T183-E215 WeakPolarHBondContact CG2-OE1 3.46Å; T183-E215 PolarHBondContact OG1-OE1 2.96Å
184N94.1Very high90.2Very high86 Ų8645.3 Ų45.346%0.4626%0.256SS..  trans-86.913.4177.867.11.3000113.9K186N184-K186 PolarHBondContact O-N 3.43Å; N184-K186 WeakPolarHBondContact OD1-CB 3.13Å; N184-K186 PolarHBondContact OD1-N 2.61Å
185C94.2Very high90.2Very high29 Ų2945.3 Ų45.320%0.19626%0.256CS..SBendtrans62.415-176.5-50.80000116T183 C203 E215T183-C185 VanDerWaalsContact C-N 3.27Å; T183-C185 PolarHBondContact O-N 3.32Å; T183-C185 PolarHBondContact OG1-N 2.89Å; C185-C203 VanDerWaalsContact CA-SG 3.53Å; C185-C203 HydrophobicContact CB-CB 3.98Å; C185-C203 WeakPolarHBondContact CB-SG 3.36Å; C185-C203 WeakPolarHBondContact SG-CB 3.31Å; C185-C203 PolarHBondContact SG-N 2.85Å; C185-C203 CovalentContact SG-SG 2.02Å; C185-C203 PolarHBondContact SG-SG 2.75Å; C185-E215 VanDerWaalsContact CA-OE2 3.23Å; C185-E215 WeakPolarHBondContact CA-OE2 3.3Å
186K91.2Very high90.3Very high182 Ų18251.1 Ų51.179%0.79128%0.281SS*.SBendtrans-113.610.9-177.9-63.7-179.1-179.8-177.90112.4N184N184-K186 PolarHBondContact O-N 3.43Å; N184-K186 WeakPolarHBondContact OD1-CB 3.13Å; N184-K186 PolarHBondContact OD1-N 2.61Å
187G80.5Confident90.4Very high40 Ų4055.3 Ų55.341%0.41230%0.3SS..SBendtrans63.2162.2-159.700000112.5E215G187-E215 PolarHBondContact N-OE2 2.91Å
188G77.1Confident90.8Very high60 Ų6054.7 Ų54.762%0.61930%0.296SS*.SBendtrans114.6-141.9176.200000113.5T190G188-T190 PolarHBondContact O-N 3.34Å
189L79.7Confident91Very high161 Ų16158.1 Ų58.184%0.84332%0.318SS*.PPolyproline II helixtrans-65.3117.5-170.3-68.8172.8000111.8
190T88.4Confident91.3Very high52 Ų5263.7 Ų63.732%0.31934%0.341SS..PPolyproline II helixtrans-76.2134.3167.5-49.20000110.2Y181 T183 G188 Y205Y181-T190 HydrophobicContact CD1-CG2 3.88Å; Y181-T190 HydrophobicContact CG-CG2 4.19Å; T183-T190 HydrophobicContact CG2-CG2 4.39Å; G188-T190 PolarHBondContact O-N 3.34Å; T190-Y205 HydrophobicContact CG2-CE2 3.8Å; T190-Y205 WeakPolarHBondContact OG1-CE2 3.06Å; T190-Y205 PolarHBondContact OG1-OH 3.05Å
191K90.1Very high91.4Very high140 Ų14064.9 Ų64.961%0.60935%0.353SS*.EExtended strand (participates in β ladder)trans-102.6143.6168.2-63.4179.6-177.6177.70109.5Y181 E182 V193Y181-K191 CarbonylContact C-O 3.54Å; Y181-K191 WeakPolarHBondContact CA-O 3.4Å; E182-K191 PolarHBondContact N-O 3.4Å; E182-K191 PolarHBondContact O-N 3.01Å; K191-V193 HydrophobicContact CB-CG1 4.13Å
192T89.9Confident91.5Very high60 Ų6067 Ų6737%0.36837%0.365SS..EExtended strand (participates in β ladder)trans-98.9116.1168.3-56.90000107.9L179 I180L179-T192 HydrophobicContact CB-CG2 3.71Å; L179-T192 HydrophobicContact CD1-CG2 3.94Å; L179-T192 HydrophobicContact CD2-CG2 4.26Å; L179-T192 HydrophobicContact CG-CG2 4.17Å; I180-T192 WeakPolarHBondContact O-CA 3.37Å
193V91Very high91.7Very high20 Ų2066.6 Ų66.612%0.12136%0.363CS..EExtended strand (participates in β ladder)trans-125.6156.8-174.7-60.20000110.7L179 I180 E182 K191 Q197 L198L179-V193 CarbonylContact C-O 3.44Å; L179-V193 VanDerWaalsContact CA-O 3.3Å; L179-V193 WeakPolarHBondContact CA-O 3.27Å; I180-V193 HydrophobicContact CG2-CG2 4.08Å; I180-V193 PolarHBondContact N-O 3.46Å; I180-V193 PolarHBondContact O-N 2.84Å; E182-V193 HydrophobicContact CB-CG2 3.84Å; K191-V193 HydrophobicContact CB-CG1 4.13Å; V193-Q197 HydrophobicContact CB-CB 4.41Å; V193-L198 HydrophobicContact CG2-CD2 3.87Å; V193-L198 HydrophobicContact CG2-CG 4.5Å
194M91.1Very high91.8Very high36 Ų3666.4 Ų66.418%0.17736%0.362CS..EExtended strand (participates in β ladder)trans-70.6148.1169.1-70178.9-86.900110.3L177 H178 L179 K196 Q197L177-M194 HydrophobicContact CB-SD 4.5Å; L177-M194 HydrophobicContact CD2-SD 3.68Å; H178-M194 CarbonylContact O-C 3.53Å; H178-M194 WeakPolarHBondContact O-CA 3.39Å; L179-M194 HydrophobicContact CD2-CG 3.87Å; M194-K196 HydrophobicContact CB-CG 4.12Å; M194-K196 PolarHBondContact O-N 3.04Å; M194-K196 VanDerWaalsContact O-N 3.15Å; M194-Q197 HydrophobicContact CB-CG 4.21Å; M194-Q197 WeakPolarHBondContact O-CA 3.36Å; M194-Q197 WeakPolarHBondContact O-CB 3.4Å; M194-Q197 PolarHBondContact O-N 3.04Å
195A93.9Very high91.9Very high1 Ų164 Ų641%0.00835%0.347CS..G310 helixtrans-53.9-37.617900000112.8V162 L174 T175 P176 H178 Q197 L198V162-A195 HydrophobicContact CB-CB 4.27Å; V162-A195 HydrophobicContact CG2-CB 4.3Å; L174-A195 HydrophobicContact CB-CB 3.7Å; L174-A195 HydrophobicContact CD1-CB 3.96Å; L174-A195 HydrophobicContact CG-CB 4.5Å; T175-A195 WeakPolarHBondContact O-CB 3.3Å; P176-A195 PolarHBondContact O-N 3.06Å; H178-A195 PolarHBondContact O-N 3.43Å; A195-Q197 PolarHBondContact O-N 3.39Å; A195-L198 WeakPolarHBondContact O-CB 3.33Å; A195-L198 WeakPolarHBondContact O-CG 3.39Å; A195-L198 PolarHBondContact O-N 2.79Å
196K93.4Very high92Very high121 Ų12162.6 Ų62.653%0.52634%0.337SS..G310 helixtrans-65.2-15.5175.173.6-176.6-178.3179.50115P176 L177 M194P176-K196 HydrophobicContact CB-CB 4.02Å; P176-K196 HydrophobicContact CB-CD 4.35Å; P176-K196 WeakPolarHBondContact O-CB 3.25Å; P176-K196 WeakPolarHBondContact O-CG 3.44Å; P176-K196 PolarHBondContact O-N 3.29Å; L177-K196 HydrophobicContact CD2-CD 4Å; M194-K196 HydrophobicContact CB-CG 4.12Å; M194-K196 PolarHBondContact O-N 3.04Å; M194-K196 VanDerWaalsContact O-N 3.15Å
197Q93.4Very high92.1Very high101 Ų10156.7 Ų56.747%0.47231%0.313SS..G310 helixtrans-101.1-1-179.4-62.3176.3-48.500112.6V193 M194 A195V193-Q197 HydrophobicContact CB-CB 4.41Å; M194-Q197 HydrophobicContact CB-CG 4.21Å; M194-Q197 WeakPolarHBondContact O-CA 3.36Å; M194-Q197 WeakPolarHBondContact O-CB 3.4Å; M194-Q197 PolarHBondContact O-N 3.04Å; A195-Q197 PolarHBondContact O-N 3.39Å
198L95.6Very high92.5Very high13 Ų1355 Ų557%0.06830%0.296CS..  trans-57.7140175.7-75.8174.7000111V164 I180 E182 V193 A195 L204 I218 L221V164-L198 HydrophobicContact CB-CD1 4.46Å; V164-L198 HydrophobicContact CG1-CD1 4.24Å; V164-L198 HydrophobicContact CG2-CD1 3.39Å; I180-L198 HydrophobicContact CG2-CD1 4.04Å; I180-L198 HydrophobicContact CG2-CD2 3.65Å; I180-L198 HydrophobicContact CG2-CG 3.95Å; E182-L198 HydrophobicContact CB-CD2 4.27Å; E182-L198 HydrophobicContact CG-CD2 4.28Å; V193-L198 HydrophobicContact CG2-CD2 3.87Å; V193-L198 HydrophobicContact CG2-CG 4.5Å; A195-L198 WeakPolarHBondContact O-CB 3.33Å; A195-L198 WeakPolarHBondContact O-CG 3.39Å; A195-L198 PolarHBondContact O-N 2.79Å; L198-L204 HydrophobicContact CD2-CD2 3.83Å; L198-I218 HydrophobicContact CB-CD1 4.31Å; L198-I218 HydrophobicContact CD2-CD1 3.92Å; L198-L221 HydrophobicContact CB-CD1 4.02Å; L198-L221 HydrophobicContact CB-CD2 3.93Å; L198-L221 HydrophobicContact CD1-CD2 4.08Å; L198-L221 WeakPolarHBondContact O-CD1 2.99Å
199T96.1Very high92.8Very high73 Ų7361.9 Ų61.945%0.44831%0.312SS..  trans-113.9122-178.2-57.50000110.3E182 G201 N202E182-T199 PolarHBondContact OE1-N 3.34Å; T199-G201 PolarHBondContact O-N 2.81Å; T199-N202 WeakPolarHBondContact O-CB 3.25Å; T199-N202 PolarHBondContact O-N 2.78Å
200K97.5Very high92.9Very high143 Ų14359.3 Ų59.362%0.62230%0.299SS*.THydrogen-bonded Turntrans-54.9133.5171.3175.7172.7170.2157.40109.7V219 L221K200-V219 WeakPolarHBondContact CD-O 3.47Å; K200-V219 WeakPolarHBondContact CE-O 3.32Å; K200-V219 PolarHBondContact NZ-O 3.41Å; K200-L221 HydrophobicContact CB-CD1 4.41Å
201G96.9Very high92.5Very high26 Ų2658.7 Ų58.727%0.26830%0.303SS..THydrogen-bonded Turntrans96-19.6-175.100000114.7T199 R217 I218T199-G201 PolarHBondContact O-N 2.81Å; G201-R217 PolarHBondContact O-NH1 2.98Å; G201-I218 PolarHBondContact N-O 2.83Å
202N97.1Very high92.5Very high46 Ų4658 Ų5825%0.24630%0.302CS..SBendtrans-76.9175.4166.1-72.4-3.9000110.7E182 T183 T199 R217 I218E182-N202 HydrophobicContact CG-CB 3.69Å; E182-N202 PolarHBondContact OE1-ND2 2.8Å; E182-N202 PolarHBondContact OE2-ND2 2.76Å; T183-N202 WeakPolarHBondContact O-CB 3.34Å; T199-N202 WeakPolarHBondContact O-CB 3.25Å; T199-N202 PolarHBondContact O-N 2.78Å; N202-R217 CarbonylContact O-C 3.56Å; N202-R217 WeakPolarHBondContact O-CA 3.49Å; N202-I218 PolarHBondContact O-N 3.49Å
203C98Very high92.7Very high4 Ų456.8 Ų56.83%0.02729%0.293CS..EExtended strand (participates in β ladder)trans-117.4151.6-176.7-77.40000112.9E182 T183 C185 E215 A216 R217E182-C203 CarbonylContact C-O 3.56Å; E182-C203 WeakPolarHBondContact CA-O 3.36Å; T183-C203 PolarHBondContact N-O 2.52Å; T183-C203 PolarHBondContact O-N 2.88Å; T183-C203 WeakPolarHBondContact OG1-CB 3.23Å; C185-C203 VanDerWaalsContact CA-SG 3.53Å; C185-C203 HydrophobicContact CB-CB 3.98Å; C185-C203 WeakPolarHBondContact CB-SG 3.36Å; C185-C203 WeakPolarHBondContact SG-CB 3.31Å; C185-C203 PolarHBondContact SG-N 2.85Å; C185-C203 CovalentContact SG-SG 2.02Å; C185-C203 PolarHBondContact SG-SG 2.75Å; C203-E215 HydrophobicContact CB-CB 3.95Å; C203-A216 VanDerWaalsContact CA-O 3.3Å; C203-A216 WeakPolarHBondContact CA-O 3.31Å; C203-A216 VanDerWaalsContact SG-C 3.55Å; C203-R217 VanDerWaalsContact SG-CA 3.53Å; C203-R217 PolarHBondContact SG-N 2.9Å; C203-R217 VanDerWaalsContact SG-N 3.45Å
204L97.6Very high92.9Very high1 Ų161 Ų611%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-112.8161167.2-58.8-179.5000109.6V164 T166 I180 Y181 L198 E215 A216 I218 V244V164-L204 HydrophobicContact CG1-CD1 3.69Å; T166-L204 HydrophobicContact CG2-CD1 4.48Å; I180-L204 HydrophobicContact CD1-CD1 3.7Å; I180-L204 HydrophobicContact CD1-CD2 3.78Å; I180-L204 HydrophobicContact CD1-CG 4.34Å; I180-L204 HydrophobicContact CG1-CD2 3.99Å; Y181-L204 WeakPolarHBondContact O-CD2 3.32Å; L198-L204 HydrophobicContact CD2-CD2 3.83Å; L204-E215 CarbonylContact O-C 3.56Å; L204-E215 WeakPolarHBondContact O-CA 3.42Å; L204-A216 PolarHBondContact N-O 2.77Å; L204-A216 PolarHBondContact O-N 3.2Å; L204-I218 HydrophobicContact CD1-CD1 4.25Å; L204-I218 HydrophobicContact CD1-CG1 4.13Å; L204-I218 HydrophobicContact CD2-CD1 4.02Å; L204-I218 HydrophobicContact CG-CD1 3.88Å; L204-I218 HydrophobicContact CG-CG1 3.85Å; L204-V244 HydrophobicContact CB-CG1 4.23Å; L204-V244 HydrophobicContact CD1-CG1 3.97Å
205Y96.8Very high93.1Very high34 Ų3461.3 Ų61.313%0.13331%0.308CS..EExtended strand (participates in β ladder)trans-81.3125.5166.8-68.4-71.4000110.5T183 T190 L213 R214 E215 L245T183-Y205 HydrophobicContact CG2-CD2 4.4Å; T183-Y205 HydrophobicContact CG2-CE1 4.47Å; T183-Y205 HydrophobicContact CG2-CE2 3.61Å; T190-Y205 HydrophobicContact CG2-CE2 3.8Å; T190-Y205 WeakPolarHBondContact OG1-CE2 3.06Å; T190-Y205 PolarHBondContact OG1-OH 3.05Å; Y205-L213 HydrophobicContact CD1-CB 4.37Å; Y205-R214 CarbonylContact C-O 3.52Å; Y205-R214 WeakPolarHBondContact CA-O 3.02Å; Y205-E215 HydrophobicContact CD1-CG 4.34Å; Y205-E215 HydrophobicContact CE1-CG 3.97Å; Y205-L245 HydrophobicContact CD2-CD2 4.2Å; Y205-L245 HydrophobicContact CG-CD2 4.44Å; Y205-L245 PolarHBondContact O-N 3.32Å
206V96.6Very high93.3Very high0 Ų061.3 Ų61.30%031%0.307CS..EExtended strand (participates in β ladder)trans-122.9157.2174.4-54.50000110.7T166 H170 G208 L213 R214 A216 G243 V244T166-V206 HydrophobicContact CG2-CG1 4.23Å; H170-V206 HydrophobicContact CB-CG1 4.3Å; V206-G208 PolarHBondContact O-N 3.49Å; V206-L213 WeakPolarHBondContact O-CA 3.49Å; V206-R214 HydrophobicContact CG2-CG 3.85Å; V206-R214 PolarHBondContact N-O 3.11Å; V206-R214 PolarHBondContact O-N 3Å; V206-A216 HydrophobicContact CB-CB 4.37Å; V206-A216 HydrophobicContact CG1-CB 3.82Å; V206-A216 HydrophobicContact CG2-CB 3.57Å; V206-G243 CarbonylContact C-O 3.58Å; V206-G243 WeakPolarHBondContact CA-O 3.33Å; V206-G243 WeakPolarHBondContact CB-O 3.36Å; V206-V244 HydrophobicContact CG1-CG2 4.13Å
207Q93.2Very high93.5Very high58 Ų5860.6 Ų60.627%0.27130%0.301SS..EExtended strand (participates in β ladder)trans-65.3124.8171.1-167.2-175.45800109.4D114 L142 G243D114-Q207 PolarHBondContact OD2-NE2 2.85Å; L142-Q207 HydrophobicContact CD1-CG 4.13Å; Q207-G243 PolarHBondContact N-O 3.47Å
208G89.4Confident93.7Very high6 Ų655.8 Ų55.86%0.06228%0.279CS..  trans-85.3163.4169.600000111.6V206 N210 G211 Q212V206-G208 PolarHBondContact O-N 3.49Å; G208-N210 PolarHBondContact O-N 3.37Å; G208-N210 VanDerWaalsContact O-N 3.15Å; G208-G211 PolarHBondContact O-N 2.6Å; G208-Q212 WeakPolarHBondContact CA-O 3.33Å; G208-Q212 PolarHBondContact N-O 3.18Å
209E82.7Confident93.9Very high203 Ų20357.8 Ų57.895%0.94929%0.292SS*.THydrogen-bonded Turntrans-60.3-25.8179.8-62.7177.717500113.1G211E209-G211 VanDerWaalsContact C-N 3.3Å; E209-G211 PolarHBondContact O-N 2.99Å
210N81.7Confident93.9Very high107 Ų10757.4 Ų57.457%0.57229%0.285SS*.THydrogen-bonded Turntrans-86.88.7178.666-10.2000113.9G208 Q212G208-N210 PolarHBondContact O-N 3.37Å; G208-N210 VanDerWaalsContact O-N 3.15Å; N210-Q212 VanDerWaalsContact ND2-CD 3.34Å; N210-Q212 PolarHBondContact ND2-NE2 2.72Å; N210-Q212 PolarHBondContact O-N 3.08Å; N210-Q212 WeakPolarHBondContact OD1-CB 3.18Å; N210-Q212 PolarHBondContact OD1-N 3.27Å
211G80.7Confident93.9Very high40 Ų4053.2 Ų53.241%0.41227%0.269SS..SBendtrans7115.7-175.900000114.2L142 G208 E209L142-G211 VanDerWaalsContact CD1-O 3.25Å; L142-G211 WeakPolarHBondContact CD1-O 3.26Å; G208-G211 PolarHBondContact O-N 2.6Å; E209-G211 VanDerWaalsContact C-N 3.3Å; E209-G211 PolarHBondContact O-N 2.99Å
212Q90Very high93.9Very high126 Ų12656.9 Ų56.959%0.58928%0.278SS*.SBendtrans-103.1157172.2-57.4-178.324.900110.5G208 N210G208-Q212 WeakPolarHBondContact CA-O 3.33Å; G208-Q212 PolarHBondContact N-O 3.18Å; N210-Q212 VanDerWaalsContact ND2-CD 3.34Å; N210-Q212 PolarHBondContact ND2-NE2 2.72Å; N210-Q212 PolarHBondContact O-N 3.08Å; N210-Q212 WeakPolarHBondContact OD1-CB 3.18Å; N210-Q212 PolarHBondContact OD1-N 3.27Å
213L93.9Very high93.7Very high33 Ų3362 Ų6217%0.17330%0.298CS..EExtended strand (participates in β ladder)trans-77.5138.5170.4-70.7172.6000110.4R136 L142 Y205 V206 I240 L245R136-L213 HydrophobicContact CB-CD1 4Å; R136-L213 HydrophobicContact CG-CD1 3.87Å; L142-L213 HydrophobicContact CD2-CD1 4Å; L142-L213 HydrophobicContact CD2-CD2 3.91Å; L142-L213 HydrophobicContact CD2-CG 3.76Å; L142-L213 HydrophobicContact CG-CG 4.23Å; Y205-L213 HydrophobicContact CD1-CB 4.37Å; V206-L213 WeakPolarHBondContact O-CA 3.49Å; L213-I240 HydrophobicContact CD2-CD1 3.92Å; L213-L245 HydrophobicContact CD1-CD2 4.05Å; L213-L245 HydrophobicContact CD2-CB 4.45Å
214R94.6Very high93.4Very high108 Ų10862.9 Ų62.941%0.40831%0.305SS..EExtended strand (participates in β ladder)trans-135.6158.517367.1-178.5-178.1118.3-13.6110.6Y205 V206Y205-R214 CarbonylContact C-O 3.52Å; Y205-R214 WeakPolarHBondContact CA-O 3.02Å; V206-R214 HydrophobicContact CG2-CG 3.85Å; V206-R214 PolarHBondContact N-O 3.11Å; V206-R214 PolarHBondContact O-N 3Å
215E96.2Very high93.1Very high44 Ų4469.8 Ų69.821%0.20634%0.337CS..EExtended strand (participates in β ladder)trans-74.6138.9172.8-62.9-174.7149.400110.3T183 C185 G187 C203 L204 Y205T183-E215 WeakPolarHBondContact CB-OE1 3.31Å; T183-E215 WeakPolarHBondContact CG2-OE1 3.46Å; T183-E215 PolarHBondContact OG1-OE1 2.96Å; C185-E215 VanDerWaalsContact CA-OE2 3.23Å; C185-E215 WeakPolarHBondContact CA-OE2 3.3Å; G187-E215 PolarHBondContact N-OE2 2.91Å; C203-E215 HydrophobicContact CB-CB 3.95Å; L204-E215 CarbonylContact O-C 3.56Å; L204-E215 WeakPolarHBondContact O-CA 3.42Å; Y205-E215 HydrophobicContact CD1-CG 4.34Å; Y205-E215 HydrophobicContact CE1-CG 3.97Å
216A97.2Very high93Very high0 Ų070.7 Ų70.70%034%0.342CS..EExtended strand (participates in β ladder)trans-137.5131.817000000110.5T166 T168 C203 L204 V206T166-A216 HydrophobicContact CG2-CB 4.38Å; T168-A216 HydrophobicContact CG2-CB 3.83Å; T168-A216 WeakPolarHBondContact OG1-CB 3.48Å; C203-A216 VanDerWaalsContact CA-O 3.3Å; C203-A216 WeakPolarHBondContact CA-O 3.31Å; C203-A216 VanDerWaalsContact SG-C 3.55Å; L204-A216 PolarHBondContact N-O 2.77Å; L204-A216 PolarHBondContact O-N 3.2Å; V206-A216 HydrophobicContact CB-CB 4.37Å; V206-A216 HydrophobicContact CG1-CB 3.82Å; V206-A216 HydrophobicContact CG2-CB 3.57Å
217R98.1Very high92.7Very high106 Ų10674.8 Ų74.840%0.436%0.36SS..EExtended strand (participates in β ladder)trans-68.8135.9-175.4-167.9-179.8-57.2-82.7-1111.9T166 E167 G201 N202 C203 V219T166-R217 CarbonylContact C-O 3.55Å; T166-R217 WeakPolarHBondContact CA-O 3.32Å; T166-R217 WeakPolarHBondContact CB-O 3.47Å; E167-R217 HydrophobicContact CB-CB 4.4Å; E167-R217 VanDerWaalsContact CD-CB 3.4Å; E167-R217 HydrophobicContact CG-CB 4.14Å; E167-R217 PolarHBondContact N-O 3.35Å; E167-R217 WeakPolarHBondContact OE1-CB 3.16Å; E167-R217 PolarHBondContact OE1-N 2.97Å; E167-R217 WeakPolarHBondContact OE2-CB 3.38Å; G201-R217 PolarHBondContact O-NH1 2.98Å; N202-R217 CarbonylContact O-C 3.56Å; N202-R217 WeakPolarHBondContact O-CA 3.49Å; C203-R217 VanDerWaalsContact SG-CA 3.53Å; C203-R217 PolarHBondContact SG-N 2.9Å; C203-R217 VanDerWaalsContact SG-N 3.45Å; R217-V219 PolarHBondContact O-N 3.37Å
218I98.4Very high92.2Very high1 Ų172 Ų721%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-71.3115.6168.5-57.7170.3000108.4V164 L198 G201 N202 L204 L221V164-I218 HydrophobicContact CG1-CD1 4.27Å; V164-I218 HydrophobicContact CG1-CG1 4.02Å; V164-I218 HydrophobicContact CG1-CG2 3.92Å; L198-I218 HydrophobicContact CB-CD1 4.31Å; L198-I218 HydrophobicContact CD2-CD1 3.92Å; G201-I218 PolarHBondContact N-O 2.83Å; N202-I218 PolarHBondContact O-N 3.49Å; L204-I218 HydrophobicContact CD1-CD1 4.25Å; L204-I218 HydrophobicContact CD1-CG1 4.13Å; L204-I218 HydrophobicContact CD2-CD1 4.02Å; L204-I218 HydrophobicContact CG-CD1 3.88Å; L204-I218 HydrophobicContact CG-CG1 3.85Å; I218-L221 HydrophobicContact CG2-CD1 4.27Å; I218-L221 HydrophobicContact CG2-CD2 3.91Å; I218-L221 HydrophobicContact CG2-CG 3.75Å
219V98.4Very high91.9Very high55 Ų5572.3 Ų72.333%0.33335%0.346SS..EExtended strand (participates in β ladder)trans-98.7-22.7178.3-63.90000112.2I165 E167 K200 R217I165-V219 HydrophobicContact CB-CG2 4.43Å; I165-V219 HydrophobicContact CG2-CG2 4.02Å; I165-V219 WeakPolarHBondContact O-CG2 3.37Å; I165-V219 PolarHBondContact O-N 2.75Å; E167-V219 HydrophobicContact CB-CG1 3.67Å; K200-V219 WeakPolarHBondContact CD-O 3.47Å; K200-V219 WeakPolarHBondContact CE-O 3.32Å; K200-V219 PolarHBondContact NZ-O 3.41Å; R217-V219 PolarHBondContact O-N 3.37Å
220E97.9Very high92.2Very high64 Ų6462.6 Ų62.630%0.29930%0.301SS..EExtended strand (participates in β ladder)trans-153140.6-178.3178167-12200111.8I165 K222I165-E220 HydrophobicContact CB-CB 4.12Å; I165-E220 HydrophobicContact CD1-CB 4.01Å; I165-E220 HydrophobicContact CD1-CG 3.86Å; I165-E220 WeakPolarHBondContact CD1-OE2 3.33Å; I165-E220 PolarHBondContact N-O 3.18Å; I165-E220 PolarHBondContact O-N 3.35Å; E220-K222 HydrophobicContact CG-CD 3.95Å; E220-K222 HydrophobicContact CG-CG 3.96Å; E220-K222 WeakPolarHBondContact OE1-CE 3.31Å; E220-K222 IonicContact OE1-NZ 3.13Å; E220-K222 PolarHBondContact OE1-NZ 3.39Å; E220-K222 IonicContact OE2-NZ 3.98Å; E220-K222 PolarHBondContact OE2-NZ 3.48Å
221L97.6Very high92.6Very high56 Ų5657.6 Ų57.629%0.29327%0.274SS..EExtended strand (participates in β ladder)trans-128.9126.4173.4-69.7167.3000107.1V162 D163 V164 L198 K200 I218V162-L221 HydrophobicContact CG1-CD2 4.07Å; D163-L221 CarbonylContact O-C 3.39Å; D163-L221 WeakPolarHBondContact O-CA 3.45Å; V164-L221 HydrophobicContact CB-CD2 4.11Å; V164-L221 HydrophobicContact CG1-CD2 3.81Å; V164-L221 HydrophobicContact CG2-CD2 3.76Å; L198-L221 HydrophobicContact CB-CD1 4.02Å; L198-L221 HydrophobicContact CB-CD2 3.93Å; L198-L221 HydrophobicContact CD1-CD2 4.08Å; L198-L221 WeakPolarHBondContact O-CD1 2.99Å; K200-L221 HydrophobicContact CB-CD1 4.41Å; I218-L221 HydrophobicContact CG2-CD1 4.27Å; I218-L221 HydrophobicContact CG2-CD2 3.91Å; I218-L221 HydrophobicContact CG2-CG 3.75Å
222K95.4Very high93Very high103 Ų10355.7 Ų55.745%0.44826%0.255SS..EExtended strand (participates in β ladder)trans-134.7150.2-178.3-79.9169.2162155.90109.9V162 D163 E220V162-K222 CarbonylContact C-O 3.6Å; V162-K222 WeakPolarHBondContact CA-O 3.46Å; D163-K222 HydrophobicContact CB-CB 4.23Å; D163-K222 PolarHBondContact N-O 3.46Å; D163-K222 PolarHBondContact O-N 2.92Å; E220-K222 HydrophobicContact CG-CD 3.95Å; E220-K222 HydrophobicContact CG-CG 3.96Å; E220-K222 WeakPolarHBondContact OE1-CE 3.31Å; E220-K222 IonicContact OE1-NZ 3.13Å; E220-K222 PolarHBondContact OE1-NZ 3.39Å; E220-K222 IonicContact OE2-NZ 3.98Å; E220-K222 PolarHBondContact OE2-NZ 3.48Å
223K94.1Very high92.9Very high154 Ų15450.1 Ų50.167%0.6723%0.229SC*.EExtended strand (participates in β ladder)trans-82.7138.9163.5-71177.7163-136.10108.6E160 Y161E160-K223 VanDerWaalsContact CD-NZ 3.25Å; E160-K223 IonicContact OE1-NZ 3.95Å; E160-K223 PolarHBondContact OE1-NZ 2.88Å; E160-K223 WeakPolarHBondContact OE2-CD 3.39Å; E160-K223 WeakPolarHBondContact OE2-CE 3.45Å; E160-K223 IonicContact OE2-NZ 2.69Å; E160-K223 PolarHBondContact OE2-NZ 3.42Å; Y161-K223 CarbonylContact O-C 3.53Å; Y161-K223 WeakPolarHBondContact O-CA 3.05Å
224A91.2Very high92.8Very high21 Ų2148.7 Ų48.717%0.17422%0.222CC..EExtended strand (participates in β ladder)trans-139.7150.8175.900000109.9E160 Y161 D163 K226E160-A224 CarbonylContact C-O 3.4Å; Y161-A224 PolarHBondContact N-O 2.89Å; Y161-A224 PolarHBondContact O-N 2.82Å; D163-A224 HydrophobicContact CB-CB 4.36Å; D163-A224 VanDerWaalsContact CG-CB 3.47Å; D163-A224 WeakPolarHBondContact OD2-CB 3.28Å; A224-K226 HydrophobicContact CB-CG 4.44Å
225E92.1Very high92.5Very high146 Ų14648.8 Ų48.868%0.68223%0.226SC*.EExtended strand (participates in β ladder)trans-95.7123.6167.3-161.9-179.4112.200108.6Y158 A159Y158-E225 HydrophobicContact CD1-CG 4.17Å; A159-E225 VanDerWaalsContact O-CA 3.32Å; A159-E225 WeakPolarHBondContact O-CA 3.43Å
226K92.8Very high92.3Very high53 Ų5348.6 Ų48.623%0.2323%0.226CC..EExtended strand (participates in β ladder)trans-129.4154.7179.9-55.4-77.3-171.9165.40110.8P108 Y158 A159 Y161 D163 S173 A224P108-K226 HydrophobicContact CB-CB 3.69Å; P108-K226 HydrophobicContact CB-CG 4.34Å; P108-K226 HydrophobicContact CG-CB 4.45Å; Y158-K226 WeakPolarHBondContact CA-O 3.46Å; A159-K226 PolarHBondContact N-O 3.16Å; A159-K226 PolarHBondContact O-N 2.78Å; Y161-K226 HydrophobicContact CD2-CB 3.48Å; Y161-K226 VanDerWaalsContact CD2-CB 3.48Å; Y161-K226 HydrophobicContact CD2-CG 3.9Å; Y161-K226 HydrophobicContact CE2-CB 3.73Å; Y161-K226 HydrophobicContact CG-CB 3.99Å; Y161-K226 HydrophobicContact CG-CG 3.94Å; D163-K226 WeakPolarHBondContact OD1-CE 2.84Å; D163-K226 IonicContact OD2-NZ 2.99Å; S173-K226 WeakPolarHBondContact OG-CE 3.38Å; A224-K226 HydrophobicContact CB-CG 4.44Å
227K90.5Very high91.9Very high87 Ų8748.7 Ų48.738%0.37823%0.226SC..EExtended strand (participates in β ladder)trans-91.3138.8-179.8-172.8-176.7175.3-171.10111.5S109 K155 Y158S109-K227 WeakPolarHBondContact CB-O 3.3Å; S109-K227 PolarHBondContact N-O 2.98Å; S109-K227 PolarHBondContact OG-O 2.77Å; K155-K227 VanDerWaalsContact O-CE 3.31Å; K155-K227 WeakPolarHBondContact O-CE 3.33Å; Y158-K227 HydrophobicContact CD1-CB 4.11Å; Y158-K227 HydrophobicContact CD2-CG 4.36Å; Y158-K227 HydrophobicContact CE1-CB 3.78Å; Y158-K227 HydrophobicContact CE1-CG 4.41Å; Y158-K227 HydrophobicContact CE2-CB 4.22Å; Y158-K227 HydrophobicContact CE2-CD 4.15Å; Y158-K227 HydrophobicContact CE2-CG 3.95Å; Y158-K227 HydrophobicContact CG-CB 4.49Å
228G83.5Confident91.7Very high0 Ų043.7 Ų43.70%021%0.208CC..EExtended strand (participates in β ladder)trans93.8154171.800000112.9N154 Q157 Y161N154-G228 CarbonylContact O-C 3.54Å; N154-G228 VanDerWaalsContact O-CA 3.28Å; N154-G228 WeakPolarHBondContact O-CA 3.3Å; Q157-G228 PolarHBondContact O-N 3.34Å; Y161-G228 PolarHBondContact OH-O 3.42Å
229F83.4Confident91.6Very high11 Ų1143.7 Ų43.75%0.04821%0.207CC..EExtended strand (participates in β ladder)trans-132.2108.9174.1-67.7-95.5000109.5A104 C106 H152 A153 N154 Q157 A159 T175A104-F229 HydrophobicContact CB-CD1 3.53Å; A104-F229 HydrophobicContact CB-CE1 3.36Å; C106-F229 HydrophobicContact CB-CB 4.05Å; C106-F229 HydrophobicContact CB-CD1 3.95Å; C106-F229 HydrophobicContact CB-CG 4.46Å; H152-F229 CarbonylContact C-O 3.56Å; A153-F229 CarbonylContact C-O 3.54Å; A153-F229 VanDerWaalsContact CA-O 3.24Å; A153-F229 WeakPolarHBondContact CA-O 3.14Å; A153-F229 PolarHBondContact N-O 2.83Å; N154-F229 HydrophobicContact CB-CB 4.34Å; N154-F229 HydrophobicContact CB-CD2 4.38Å; N154-F229 PolarHBondContact N-O 2.69Å; N154-F229 PolarHBondContact O-N 3.2Å; Q157-F229 HydrophobicContact CB-CD2 3.87Å; Q157-F229 HydrophobicContact CB-CE2 3.5Å; Q157-F229 VanDerWaalsContact CB-CE2 3.5Å; Q157-F229 VanDerWaalsContact CD-CE2 3.45Å; Q157-F229 HydrophobicContact CG-CD2 4.3Å; Q157-F229 HydrophobicContact CG-CE2 3.47Å; Q157-F229 VanDerWaalsContact CG-CE2 3.47Å; Q157-F229 HydrophobicContact CG-CZ 4.22Å; A159-F229 HydrophobicContact CB-CD1 4.43Å; A159-F229 HydrophobicContact CB-CE1 3.37Å; A159-F229 HydrophobicContact CB-CE2 3.92Å; A159-F229 HydrophobicContact CB-CZ 3.09Å; T175-F229 HydrophobicContact CG2-CD1 4.43Å; T175-F229 HydrophobicContact CG2-CE1 4.33Å
230Y89.4Confident91.5Very high0 Ų041.1 Ų41.10%019%0.192CC..EExtended strand (participates in β ladder)trans-127.1124.8-177.4-69.9-93.8000110C106 F107 M122 I126 W150 H152 K155C106-Y230 CarbonylContact C-O 3.51Å; C106-Y230 WeakPolarHBondContact CA-O 3.42Å; F107-Y230 PolarHBondContact N-O 2.84Å; F107-Y230 PolarHBondContact O-N 2.96Å; M122-Y230 HydrophobicContact CB-CD1 4.01Å; M122-Y230 HydrophobicContact CB-CD2 4.14Å; M122-Y230 HydrophobicContact CB-CG 3.71Å; I126-Y230 HydrophobicContact CB-CE1 4.29Å; I126-Y230 HydrophobicContact CD1-CD1 4.31Å; I126-Y230 HydrophobicContact CD1-CE1 4.14Å; I126-Y230 HydrophobicContact CG2-CE1 4.09Å; W150-Y230 HydrophobicContact CE3-CD1 4.33Å; W150-Y230 HydrophobicContact CH2-CD1 4.47Å; W150-Y230 AromaticContact CZ3-CD1 3.77Å; W150-Y230 HydrophobicContact CZ3-CD1 3.77Å; W150-Y230 HydrophobicContact CZ3-CG 4.38Å; H152-Y230 WeakPolarHBondContact O-CA 3.44Å; K155-Y230 WeakPolarHBondContact CG-OH 3.15Å
231S88.5Confident91.5Very high2 Ų238 Ų381%0.01418%0.178CC..EExtended strand (participates in β ladder)trans-135.879.5179-174.50000110.1R105 W150 I151 H152R105-S231 WeakPolarHBondContact O-CB 3.44Å; R105-S231 PolarHBondContact O-OG 2.9Å; W150-S231 WeakPolarHBondContact CA-O 3.3Å; I151-S231 PolarHBondContact N-O 2.86Å; H152-S231 PolarHBondContact O-N 3.47Å
232P90.7Very high91.5Very high0 Ų038 Ų380%018%0.177CC..EExtended strand (participates in β ladder)trans-69.2149.4175.830.6-34.7000111M122 V147 W150 L239 C248M122-P232 HydrophobicContact CE-CG 4.2Å; M122-P232 HydrophobicContact SD-CG 4.05Å; V147-P232 HydrophobicContact CG1-CB 3.82Å; W150-P232 HydrophobicContact CD2-CB 4.16Å; W150-P232 HydrophobicContact CE3-CB 3.91Å; W150-P232 HydrophobicContact CH2-CB 4.01Å; W150-P232 HydrophobicContact CH2-CG 4.41Å; W150-P232 HydrophobicContact CZ2-CB 4.2Å; W150-P232 HydrophobicContact CZ3-CB 3.82Å; W150-P232 HydrophobicContact CZ3-CG 4.09Å; P232-L239 HydrophobicContact CG-CD1 3.6Å; P232-C248 PolarHBondContact O-SG 3.15Å
233I86.5Confident91.5Very high9 Ų933.5 Ų33.55%0.04616%0.16CC..EExtended strand (participates in β ladder)trans-111.8121.3167.1-58.4-172.7000107.8V147 M148 S149 I151 F249 L262 F266V147-I233 CarbonylContact C-O 3.49Å; M148-I233 PolarHBondContact N-O 3.27Å; S149-I233 PolarHBondContact N-O 2.86Å; S149-I233 PolarHBondContact O-N 3.03Å; I151-I233 HydrophobicContact CD1-CD1 3.82Å; I151-I233 HydrophobicContact CD1-CG1 4.01Å; I151-I233 HydrophobicContact CG1-CD1 3.65Å; I151-I233 HydrophobicContact CG1-CG1 3.86Å; I233-F249 HydrophobicContact CG2-CE1 4.46Å; I233-L262 HydrophobicContact CD1-CD1 4.07Å; I233-L262 HydrophobicContact CD1-CD2 4.43Å; I233-L262 HydrophobicContact CG2-CD1 4.07Å; I233-F266 HydrophobicContact CG2-CE2 4.49Å
234T91.9Very high91.7Very high3 Ų326.2 Ų26.22%0.01813%0.129CC..EExtended strand (participates in β ladder)trans-96.3162.5173.5680000111.2V133 P146 E236 G237 N238 L239V133-T234 HydrophobicContact CG2-CG2 3.33Å; P146-T234 VanDerWaalsContact O-CA 3.31Å; P146-T234 WeakPolarHBondContact O-CA 3.42Å; T234-E236 PolarHBondContact O-N 2.81Å; T234-G237 PolarHBondContact O-N 2.82Å; T234-G237 VanDerWaalsContact O-N 3.08Å; T234-G237 PolarHBondContact OG1-N 3.19Å; T234-G237 VanDerWaalsContact OG1-N 3.09Å; T234-N238 PolarHBondContact OG1-N 2.79Å; T234-N238 PolarHBondContact OG1-O 2.88Å; T234-L239 HydrophobicContact CG2-CB 4.12Å
235E88.3Confident91.9Very high109 Ų10925.2 Ų25.251%0.50912%0.121SC..THydrogen-bonded Turntrans-60.5-34173.4-177.3174.1-126.300112.5S145 P146 M148 G237S145-E235 WeakPolarHBondContact OG-CB 3.35Å; S145-E235 PolarHBondContact OG-N 3.32Å; P146-E235 HydrophobicContact CG-CB 4.01Å; P146-E235 PolarHBondContact O-N 3.47Å; M148-E235 HydrophobicContact CG-CB 4.24Å; M148-E235 HydrophobicContact SD-CB 4.32Å; E235-G237 VanDerWaalsContact C-N 3.28Å; E235-G237 PolarHBondContact O-N 2.89Å
236E91.7Very high92.1Very high41 Ų4118.3 Ų18.319%0.1929%0.088CC..THydrogen-bonded Turntrans-79.7-9.9176.6-65.4-65174.200113.3A135 N137 T143 S145 T234 N238 K259A135-E236 HydrophobicContact CB-CB 3.94Å; A135-E236 HydrophobicContact CB-CG 4.11Å; N137-E236 WeakPolarHBondContact CA-OE2 3.23Å; T143-E236 HydrophobicContact CG2-CG 4.22Å; S145-E236 PolarHBondContact OG-N 2.82Å; T234-E236 PolarHBondContact O-N 2.81Å; E236-N238 PolarHBondContact O-N 3Å; E236-N238 PolarHBondContact O-ND2 2.79Å; E236-K259 WeakPolarHBondContact O-CE 3.49Å; E236-K259 PolarHBondContact O-NZ 3.18Å
237G89.6Confident92.1Very high1 Ų115.8 Ų15.81%0.018%0.077CC..SBendtrans64.618.1-177.400000114.7T234 E235 C248 F249T234-G237 PolarHBondContact O-N 2.82Å; T234-G237 VanDerWaalsContact O-N 3.08Å; T234-G237 PolarHBondContact OG1-N 3.19Å; T234-G237 VanDerWaalsContact OG1-N 3.09Å; E235-G237 VanDerWaalsContact C-N 3.28Å; E235-G237 PolarHBondContact O-N 2.89Å; G237-C248 PolarHBondContact O-N 3.02Å; G237-F249 WeakPolarHBondContact O-CE2 3.37Å
238N94Very high92Very high2 Ų211.7 Ų11.71%0.0116%0.06CC..EExtended strand (participates in β ladder)trans-149.5166.617568.679.8000109.5A135 R136 Y181 T234 E236 L245 A246 C248A135-N238 VanDerWaalsContact CB-O 3.28Å; A135-N238 WeakPolarHBondContact CB-O 3.2Å; R136-N238 WeakPolarHBondContact CB-OD1 3.23Å; R136-N238 PolarHBondContact N-OD1 3.46Å; R136-N238 PolarHBondContact O-ND2 2.69Å; R136-N238 PolarHBondContact O-OD1 3.26Å; Y181-N238 HydrophobicContact CE2-CB 4.08Å; T234-N238 PolarHBondContact OG1-N 2.79Å; T234-N238 PolarHBondContact OG1-O 2.88Å; E236-N238 PolarHBondContact O-N 3Å; E236-N238 PolarHBondContact O-ND2 2.79Å; N238-L245 HydrophobicContact CB-CD1 4.26Å; N238-L245 WeakPolarHBondContact OD1-CD1 3.41Å; N238-A246 VanDerWaalsContact CA-O 3.3Å; N238-A246 WeakPolarHBondContact CA-O 3.23Å; N238-A246 WeakPolarHBondContact CB-O 3.34Å; N238-C248 PolarHBondContact N-SG 2.95Å
239L96.3Very high91.4Very high0 Ų012.3 Ų12.30%06%0.063CC..EExtended strand (participates in β ladder)trans-157.5158.617971.3178.4000111.5F107 V113 M122 V133 L134 P232 T234 V241 A246F107-L239 HydrophobicContact CE2-CD1 4.33Å; F107-L239 HydrophobicContact CE2-CD2 3.94Å; F107-L239 HydrophobicContact CZ-CD2 3.78Å; F107-L239 HydrophobicContact CZ-CG 4.5Å; V113-L239 HydrophobicContact CG1-CD1 4.37Å; M122-L239 HydrophobicContact CE-CD1 3.91Å; V133-L239 HydrophobicContact CG2-CB 4.03Å; L134-L239 CarbonylContact O-C 3.52Å; L134-L239 WeakPolarHBondContact O-CA 3.46Å; P232-L239 HydrophobicContact CG-CD1 3.6Å; T234-L239 HydrophobicContact CG2-CB 4.12Å; L239-V241 HydrophobicContact CD1-CG2 3.93Å; L239-V241 HydrophobicContact CD2-CG2 4.25Å; L239-V241 HydrophobicContact CG-CG2 3.65Å; L239-A246 HydrophobicContact CD2-CB 4.42Å; L239-A246 PolarHBondContact N-O 3.07Å; L239-A246 PolarHBondContact O-N 2.81Å
240I96.8Very high90.1Very high1 Ų112.8 Ų12.81%0.0057%0.067CC..EExtended strand (participates in β ladder)trans-91121171.8-53.6-57.2000108.9L134 L142 L213 V244 L245L134-I240 HydrophobicContact CB-CB 4.21Å; L134-I240 HydrophobicContact CB-CG1 4.11Å; L134-I240 HydrophobicContact CD2-CB 4.45Å; L134-I240 HydrophobicContact CD2-CG1 4.09Å; L134-I240 HydrophobicContact CG-CG1 3.98Å; L134-I240 PolarHBondContact O-N 3.19Å; L142-I240 HydrophobicContact CD2-CD1 3.87Å; L142-I240 HydrophobicContact CD2-CG1 3.98Å; L213-I240 HydrophobicContact CD2-CD1 3.92Å; I240-V244 CarbonylContact C-O 3.59Å; I240-V244 WeakPolarHBondContact CA-O 3.43Å; I240-L245 HydrophobicContact CD1-CB 3.87Å; I240-L245 HydrophobicContact CD1-CD1 3.59Å; I240-L245 HydrophobicContact CD1-CG 4.35Å
241V97.5Very high88.3Confident0 Ų015.7 Ų15.70%09%0.085CC..EExtended strand (participates in β ladder)trans-125.6125.2176.9-172.40000108.8F107 A111 L112 V113 M122 L172 L239 G243 V244F107-V241 HydrophobicContact CD1-CB 4.24Å; F107-V241 HydrophobicContact CD1-CG1 3.9Å; F107-V241 HydrophobicContact CD1-CG2 3.94Å; F107-V241 HydrophobicContact CE1-CB 3.97Å; F107-V241 HydrophobicContact CE1-CG1 4.16Å; F107-V241 HydrophobicContact CE1-CG2 3.49Å; F107-V241 VanDerWaalsContact CE1-CG2 3.49Å; F107-V241 HydrophobicContact CE2-CG2 4.34Å; F107-V241 HydrophobicContact CZ-CG2 3.74Å; A111-V241 HydrophobicContact CB-CG1 3.67Å; L112-V241 CarbonylContact O-C 3.54Å; L112-V241 WeakPolarHBondContact O-CA 3.32Å; V113-V241 HydrophobicContact CG1-CG2 4.15Å; M122-V241 HydrophobicContact CE-CG1 4.25Å; M122-V241 HydrophobicContact CE-CG2 3.79Å; L172-V241 HydrophobicContact CD1-CB 3.68Å; L172-V241 HydrophobicContact CD1-CG1 3.59Å; L239-V241 HydrophobicContact CD1-CG2 3.93Å; L239-V241 HydrophobicContact CD2-CG2 4.25Å; L239-V241 HydrophobicContact CG-CG2 3.65Å; V241-G243 PolarHBondContact O-N 3.24Å; V241-G243 VanDerWaalsContact O-N 3.16Å; V241-V244 PolarHBondContact N-O 2.84Å; V241-V244 WeakPolarHBondContact O-CB 3.3Å; V241-V244 PolarHBondContact O-N 3.2Å
242N97Very high86.1Confident54 Ų5422.5 Ų22.529%0.28912%0.12SC..THydrogen-bonded Turntrans48.739.5-173.4-65.724.8000112.2L112 H170 R171 V244L112-N242 WeakPolarHBondContact CB-OD1 3.31Å; L112-N242 PolarHBondContact N-OD1 2.93Å; L112-N242 PolarHBondContact O-N 2.85Å; L112-N242 PolarHBondContact O-OD1 2.83Å; H170-N242 PolarHBondContact CD2-O 3.09Å; R171-N242 WeakPolarHBondContact O-CB 3.34Å; R171-N242 PolarHBondContact O-ND2 2.99Å; N242-V244 VanDerWaalsContact C-N 3.26Å; N242-V244 PolarHBondContact O-N 3.49Å
243G96.3Very high84Confident9 Ų924.7 Ų24.79%0.09314%0.142CC..THydrogen-bonded Turntrans71.68.9-176.800000115.4V206 Q207 V241V206-G243 CarbonylContact C-O 3.58Å; V206-G243 WeakPolarHBondContact CA-O 3.33Å; V206-G243 WeakPolarHBondContact CB-O 3.36Å; Q207-G243 PolarHBondContact N-O 3.47Å; V241-G243 PolarHBondContact O-N 3.24Å; V241-G243 VanDerWaalsContact O-N 3.16Å
244V97.4Very high82.4Confident2 Ų228.8 Ų28.81%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-111.3135.6179.3-174.80000110.5H170 L172 I180 L204 V206 I240 V241 N242 A246H170-V244 HydrophobicContact CB-CG2 3.75Å; L172-V244 HydrophobicContact CB-CB 4.24Å; L172-V244 HydrophobicContact CB-CG2 4.03Å; L172-V244 HydrophobicContact CD2-CB 3.92Å; L172-V244 HydrophobicContact CD2-CG1 3.75Å; I180-V244 HydrophobicContact CD1-CG1 4.23Å; L204-V244 HydrophobicContact CB-CG1 4.23Å; L204-V244 HydrophobicContact CD1-CG1 3.97Å; V206-V244 HydrophobicContact CG1-CG2 4.13Å; I240-V244 CarbonylContact C-O 3.59Å; I240-V244 WeakPolarHBondContact CA-O 3.43Å; V241-V244 PolarHBondContact N-O 2.84Å; V241-V244 WeakPolarHBondContact O-CB 3.3Å; V241-V244 PolarHBondContact O-N 3.2Å; N242-V244 VanDerWaalsContact C-N 3.26Å; N242-V244 PolarHBondContact O-N 3.49Å; V244-A246 PolarHBondContact O-N 3.22Å
245L96.8Very high80.8Confident0 Ų030.4 Ų30.40%017%0.172CC..EExtended strand (participates in β ladder)trans-74.7122.3175.2-176.873000111.3R136 Y181 Y205 L213 N238 I240R136-L245 HydrophobicContact CB-CD1 3.77Å; R136-L245 HydrophobicContact CB-CD2 4.34Å; Y181-L245 HydrophobicContact CD2-CB 4.44Å; Y181-L245 HydrophobicContact CD2-CD2 3.55Å; Y181-L245 HydrophobicContact CD2-CG 3.61Å; Y181-L245 HydrophobicContact CE2-CD2 3.88Å; Y181-L245 HydrophobicContact CE2-CG 3.81Å; Y181-L245 HydrophobicContact CG-CD2 4.25Å; Y205-L245 HydrophobicContact CD2-CD2 4.2Å; Y205-L245 HydrophobicContact CG-CD2 4.44Å; Y205-L245 PolarHBondContact O-N 3.32Å; L213-L245 HydrophobicContact CD1-CD2 4.05Å; L213-L245 HydrophobicContact CD2-CB 4.45Å; N238-L245 HydrophobicContact CB-CD1 4.26Å; N238-L245 WeakPolarHBondContact OD1-CD1 3.41Å; I240-L245 HydrophobicContact CD1-CB 3.87Å; I240-L245 HydrophobicContact CD1-CD1 3.59Å; I240-L245 HydrophobicContact CD1-CG 4.35Å
246A95.7Very high79.7Confident0 Ų028.9 Ų28.90%017%0.17CC..EExtended strand (participates in β ladder)trans-125.8154.6177.300000111.6F107 L172 N238 L239 V244F107-A246 HydrophobicContact CE1-CB 3.82Å; F107-A246 HydrophobicContact CZ-CB 3.69Å; L172-A246 HydrophobicContact CD2-CB 4.44Å; N238-A246 VanDerWaalsContact CA-O 3.3Å; N238-A246 WeakPolarHBondContact CA-O 3.23Å; N238-A246 WeakPolarHBondContact CB-O 3.34Å; L239-A246 HydrophobicContact CD2-CB 4.42Å; L239-A246 PolarHBondContact N-O 3.07Å; L239-A246 PolarHBondContact O-N 2.81Å; V244-A246 PolarHBondContact O-N 3.22Å
247S92.6Very high78.4Confident0 Ų032 Ų320%019%0.188CC..EExtended strand (participates in β ladder)trans-74.7158.2173-167.40000110.5H178 L179 F249H178-S247 PolarHBondContact NE2-O 2.92Å; L179-S247 WeakPolarHBondContact O-CB 3.4Å; L179-S247 PolarHBondContact O-N 3.45Å; S247-F249 VanDerWaalsContact C-N 3.33Å; S247-F249 PolarHBondContact OG-N 3.43Å; S247-F249 VanDerWaalsContact OG-N 3.07Å
248C89.1Confident77.3Confident1 Ų134.1 Ų34.11%0.00720%0.2CC..SBendtrans-85.5-9.5162.2-64.10000112.4P232 G237 N238P232-C248 PolarHBondContact O-SG 3.15Å; G237-C248 PolarHBondContact O-N 3.02Å; N238-C248 PolarHBondContact N-SG 2.95Å
249F70.7Confident76Confident14 Ų1436.2 Ų36.26%0.06121%0.209CC..  trans-110.8171.4-167.7-53-56.5000113.2L179 I233 G237 S247 E255 V258 K259 L262L179-F249 VanDerWaalsContact CB-O 3.23Å; L179-F249 WeakPolarHBondContact CB-O 3.32Å; L179-F249 HydrophobicContact CD1-CB 4.46Å; L179-F249 WeakPolarHBondContact CG-O 3.34Å; L179-F249 PolarHBondContact N-O 3.16Å; I233-F249 HydrophobicContact CG2-CE1 4.46Å; G237-F249 WeakPolarHBondContact O-CE2 3.37Å; S247-F249 VanDerWaalsContact C-N 3.33Å; S247-F249 PolarHBondContact OG-N 3.43Å; S247-F249 VanDerWaalsContact OG-N 3.07Å; F249-E255 HydrophobicContact CD2-CG 4.07Å; F249-E255 HydrophobicContact CE2-CG 4.41Å; F249-V258 HydrophobicContact CD1-CB 4.44Å; F249-V258 HydrophobicContact CD1-CG1 3.42Å; F249-V258 VanDerWaalsContact CD1-CG1 3.42Å; F249-V258 HydrophobicContact CD2-CG1 4.35Å; F249-V258 HydrophobicContact CE1-CG1 3.57Å; F249-V258 HydrophobicContact CE2-CG1 4.43Å; F249-V258 HydrophobicContact CG-CB 4.43Å; F249-V258 HydrophobicContact CG-CG1 3.85Å; F249-V258 HydrophobicContact CZ-CG1 4.06Å; F249-K259 HydrophobicContact CE2-CD 4.4Å; F249-K259 HydrophobicContact CE2-CG 3.55Å; F249-K259 HydrophobicContact CZ-CG 4Å; F249-L262 HydrophobicContact CD1-CD1 4.29Å; F249-L262 HydrophobicContact CE1-CD1 3.24Å; F249-L262 HydrophobicContact CZ-CD1 3.7Å
250S55.9Low74.9Confident21 Ų2140.7 Ų40.715%0.14723%0.233CC..  trans-157-1.1-152.365.90000119R105R105-S250 WeakPolarHBondContact CD-OG 3.17Å; R105-S250 PolarHBondContact NE-O 2.82Å; R105-S250 PolarHBondContact NE-OG 2.75Å
251T51.9Low73.7Confident60 Ų6042.6 Ų42.637%0.36825%0.248SC..SBendtrans-168.3123.4164.923.30000110.7R105R105-T251 PolarHBondContact NH2-OG1 3.07Å
252I42.3Very low72.5Confident146 Ų14644.5 Ų44.575%0.74926%0.258SS*.SBendtrans45.7100.3140.7-51.9172.9000115.5
253G45.7Very low71.5Confident46 Ų4645.7 Ų45.747%0.47426%0.262SS..SBendtrans146.8134.4-174.400000104.7E255G253-E255 PolarHBondContact O-N 3.45Å; G253-E255 VanDerWaalsContact O-N 3.1Å
254D53.2Low70.5Confident95 Ų9551.8 Ų51.851%0.50828%0.283SS..  trans-43.3124.2176.2-178.5-12.1000108.8T256 L257 V258D254-T256 CarbonylContact O-C 3.59Å; D254-T256 PolarHBondContact O-N 2.8Å; D254-T256 WeakPolarHBondContact OD1-CB 3.25Å; D254-T256 PolarHBondContact OD1-N 3.31Å; D254-T256 PolarHBondContact OD1-OG1 2.91Å; D254-L257 HydrophobicContact CB-CB 4.17Å; D254-L257 HydrophobicContact CB-CD1 3.88Å; D254-L257 HydrophobicContact CB-CG 3.84Å; D254-L257 WeakPolarHBondContact O-CA 3.37Å; D254-L257 WeakPolarHBondContact O-CB 3.13Å; D254-L257 PolarHBondContact O-N 3.41Å; D254-V258 PolarHBondContact O-N 3.13Å; D254-V258 VanDerWaalsContact O-N 3.13Å
255E58.1Low69.6Low37 Ų3752 Ų5217%0.17329%0.285CS..Hα-helixtrans-49-33.9177.9176.5-178153.100110.1Y181 F249 G253 V258 K259Y181-E255 VanDerWaalsContact CE1-OE2 3.25Å; Y181-E255 WeakPolarHBondContact CE1-OE2 3.48Å; Y181-E255 VanDerWaalsContact OH-CD 3.28Å; Y181-E255 PolarHBondContact OH-OE1 2.86Å; Y181-E255 PolarHBondContact OH-OE2 3.06Å; F249-E255 HydrophobicContact CD2-CG 4.07Å; F249-E255 HydrophobicContact CE2-CG 4.41Å; G253-E255 PolarHBondContact O-N 3.45Å; G253-E255 VanDerWaalsContact O-N 3.1Å; E255-V258 PolarHBondContact O-N 3.39Å; E255-K259 HydrophobicContact CG-CD 4.18Å; E255-K259 HydrophobicContact CG-CG 4.5Å; E255-K259 WeakPolarHBondContact O-CB 3.28Å; E255-K259 VanDerWaalsContact O-CG 3.23Å; E255-K259 WeakPolarHBondContact O-CG 3.42Å; E255-K259 PolarHBondContact O-N 2.84Å; E255-K259 WeakPolarHBondContact OE1-CE 3.46Å; E255-K259 IonicContact OE1-NZ 3.37Å; E255-K259 PolarHBondContact OE1-NZ 3.5Å
256T65.7Low68.7Low77 Ų7754 Ų5447%0.47229%0.294SS..Hα-helixtrans-59.8-45.4172.5-42.90000112.2D254 K259 L260D254-T256 CarbonylContact O-C 3.59Å; D254-T256 PolarHBondContact O-N 2.8Å; D254-T256 WeakPolarHBondContact OD1-CB 3.25Å; D254-T256 PolarHBondContact OD1-N 3.31Å; D254-T256 PolarHBondContact OD1-OG1 2.91Å; T256-K259 PolarHBondContact O-N 2.99Å; T256-L260 HydrophobicContact CG2-CD1 4.07Å; T256-L260 HydrophobicContact CG2-CG 4.42Å; T256-L260 VanDerWaalsContact O-CB 3.32Å; T256-L260 WeakPolarHBondContact O-CB 3.49Å; T256-L260 WeakPolarHBondContact O-CG 3.35Å; T256-L260 PolarHBondContact O-N 3.22Å
257L63.9Low68.1Low107 Ų10761.4 Ų61.456%0.5632%0.322SS*.Hα-helixtrans-64.7-43.4177.7-72.2173.1000112.1D254 K259 L260 A261D254-L257 HydrophobicContact CB-CB 4.17Å; D254-L257 HydrophobicContact CB-CD1 3.88Å; D254-L257 HydrophobicContact CB-CG 3.84Å; D254-L257 WeakPolarHBondContact O-CA 3.37Å; D254-L257 WeakPolarHBondContact O-CB 3.13Å; D254-L257 PolarHBondContact O-N 3.41Å; L257-K259 VanDerWaalsContact C-N 3.35Å; L257-L260 PolarHBondContact O-N 2.81Å; L257-A261 WeakPolarHBondContact O-CB 3.17Å; L257-A261 PolarHBondContact O-N 3.18Å
258V65.8Low67.6Low45 Ų4562.9 Ų62.927%0.27333%0.331SS..Hα-helixtrans-64.8-43.1177.4-179.50000110.3F249 D254 E255 A261 L262F249-V258 HydrophobicContact CD1-CB 4.44Å; F249-V258 HydrophobicContact CD1-CG1 3.42Å; F249-V258 VanDerWaalsContact CD1-CG1 3.42Å; F249-V258 HydrophobicContact CD2-CG1 4.35Å; F249-V258 HydrophobicContact CE1-CG1 3.57Å; F249-V258 HydrophobicContact CE2-CG1 4.43Å; F249-V258 HydrophobicContact CG-CB 4.43Å; F249-V258 HydrophobicContact CG-CG1 3.85Å; F249-V258 HydrophobicContact CZ-CG1 4.06Å; D254-V258 PolarHBondContact O-N 3.13Å; D254-V258 VanDerWaalsContact O-N 3.13Å; E255-V258 PolarHBondContact O-N 3.39Å; V258-A261 PolarHBondContact O-N 3.2Å; V258-L262 HydrophobicContact CG1-CD1 4.01Å; V258-L262 WeakPolarHBondContact O-CB 3.46Å; V258-L262 WeakPolarHBondContact O-CG 2.98Å; V258-L262 PolarHBondContact O-N 2.8Å
259K67.2Low67Low45 Ų4565 Ų6520%0.19634%0.341CS..Hα-helixtrans-58.5-47.6172.8-76.3179-178.5-176.50111.8E236 F249 E255 T256 L257 L262 Q263E236-K259 WeakPolarHBondContact O-CE 3.49Å; E236-K259 PolarHBondContact O-NZ 3.18Å; F249-K259 HydrophobicContact CE2-CD 4.4Å; F249-K259 HydrophobicContact CE2-CG 3.55Å; F249-K259 HydrophobicContact CZ-CG 4Å; E255-K259 HydrophobicContact CG-CD 4.18Å; E255-K259 HydrophobicContact CG-CG 4.5Å; E255-K259 WeakPolarHBondContact O-CB 3.28Å; E255-K259 VanDerWaalsContact O-CG 3.23Å; E255-K259 WeakPolarHBondContact O-CG 3.42Å; E255-K259 PolarHBondContact O-N 2.84Å; E255-K259 WeakPolarHBondContact OE1-CE 3.46Å; E255-K259 IonicContact OE1-NZ 3.37Å; E255-K259 PolarHBondContact OE1-NZ 3.5Å; T256-K259 PolarHBondContact O-N 2.99Å; L257-K259 VanDerWaalsContact C-N 3.35Å; K259-L262 PolarHBondContact O-N 2.83Å; K259-Q263 VanDerWaalsContact O-CB 3.3Å; K259-Q263 WeakPolarHBondContact O-CB 3.36Å; K259-Q263 VanDerWaalsContact O-CG 3.23Å; K259-Q263 WeakPolarHBondContact O-CG 3.35Å; K259-Q263 PolarHBondContact O-N 2.88Å
260L72.7Confident67.4Low95 Ų9569.4 Ų69.450%0.49736%0.361SS..Hα-helixtrans-62.4-44179.1-75.6170.6000111.6T256 L257 L262 Q263 Y264T256-L260 HydrophobicContact CG2-CD1 4.07Å; T256-L260 HydrophobicContact CG2-CG 4.42Å; T256-L260 VanDerWaalsContact O-CB 3.32Å; T256-L260 WeakPolarHBondContact O-CB 3.49Å; T256-L260 WeakPolarHBondContact O-CG 3.35Å; T256-L260 PolarHBondContact O-N 3.22Å; L257-L260 PolarHBondContact O-N 2.81Å; L260-L262 PolarHBondContact O-N 3.04Å; L260-Q263 PolarHBondContact O-N 3.25Å; L260-Y264 WeakPolarHBondContact O-CB 3.47Å; L260-Y264 PolarHBondContact O-N 3.26Å
261A73.1Confident68.8Low40 Ų4071.2 Ų71.233%0.33137%0.369SS..Hα-helixtrans-62.3-43.6178.100000111.6L257 V258 Y264 A265 I303L257-A261 WeakPolarHBondContact O-CB 3.17Å; L257-A261 PolarHBondContact O-N 3.18Å; V258-A261 PolarHBondContact O-N 3.2Å; A261-Y264 PolarHBondContact O-N 2.9Å; A261-A265 WeakPolarHBondContact O-CB 3.47Å; A261-A265 PolarHBondContact O-N 2.84Å; A261-I303 HydrophobicContact CB-CG2 4.42Å
262L71.4Confident70.3Confident41 Ų4168.8 Ų68.822%0.21536%0.355CS..Hα-helixtrans-69.9-42.6177-71.5170.9000112.3I233 F249 V258 K259 L260 Y264 A265 F266I233-L262 HydrophobicContact CD1-CD1 4.07Å; I233-L262 HydrophobicContact CD1-CD2 4.43Å; I233-L262 HydrophobicContact CG2-CD1 4.07Å; F249-L262 HydrophobicContact CD1-CD1 4.29Å; F249-L262 HydrophobicContact CE1-CD1 3.24Å; F249-L262 HydrophobicContact CZ-CD1 3.7Å; V258-L262 HydrophobicContact CG1-CD1 4.01Å; V258-L262 WeakPolarHBondContact O-CB 3.46Å; V258-L262 WeakPolarHBondContact O-CG 2.98Å; V258-L262 PolarHBondContact O-N 2.8Å; K259-L262 PolarHBondContact O-N 2.83Å; L260-L262 PolarHBondContact O-N 3.04Å; L262-Y264 VanDerWaalsContact C-N 3.28Å; L262-Y264 PolarHBondContact O-N 2.75Å; L262-A265 PolarHBondContact O-N 2.91Å; L262-F266 HydrophobicContact CB-CD2 4.35Å; L262-F266 HydrophobicContact CB-CE2 4.02Å; L262-F266 WeakPolarHBondContact O-CB 3.21Å; L262-F266 WeakPolarHBondContact O-CD2 3.47Å; L262-F266 VanDerWaalsContact O-CG 3.31Å; L262-F266 WeakPolarHBondContact O-CG 3.4Å; L262-F266 PolarHBondContact O-N 2.89Å
263Q75.7Confident72.2Confident79 Ų7964.5 Ų64.537%0.36934%0.341SS..Hα-helixtrans-58.2-42.6174.2-77.7175-12.800111.2K259 L260 W267K259-Q263 VanDerWaalsContact O-CB 3.3Å; K259-Q263 WeakPolarHBondContact O-CB 3.36Å; K259-Q263 VanDerWaalsContact O-CG 3.23Å; K259-Q263 WeakPolarHBondContact O-CG 3.35Å; K259-Q263 PolarHBondContact O-N 2.88Å; L260-Q263 PolarHBondContact O-N 3.25Å; Q263-W267 VanDerWaalsContact O-CB 3.31Å; Q263-W267 WeakPolarHBondContact O-CB 3.19Å; Q263-W267 PolarHBondContact O-N 2.91Å
264Y76.8Confident74.1Confident136 Ų13669.5 Ų69.553%0.53335%0.35SS..Hα-helixtrans-63.1-47.5173.8179-103.5000111.8L260 A261 L262 F266 W267 V268L260-Y264 WeakPolarHBondContact O-CB 3.47Å; L260-Y264 PolarHBondContact O-N 3.26Å; A261-Y264 PolarHBondContact O-N 2.9Å; L262-Y264 VanDerWaalsContact C-N 3.28Å; L262-Y264 PolarHBondContact O-N 2.75Å; Y264-F266 VanDerWaalsContact C-N 3.34Å; Y264-F266 PolarHBondContact O-N 2.91Å; Y264-W267 HydrophobicContact CD2-CE3 4.44Å; Y264-W267 HydrophobicContact CE2-CE3 4.34Å; Y264-W267 HydrophobicContact CE2-CZ3 4.38Å; Y264-W267 PolarHBondContact O-N 2.66Å; Y264-V268 HydrophobicContact CD1-CG2 4.26Å; Y264-V268 HydrophobicContact CD2-CG2 4.42Å; Y264-V268 HydrophobicContact CE1-CG2 3.83Å; Y264-V268 HydrophobicContact CE2-CG2 4.01Å; Y264-V268 WeakPolarHBondContact O-CG2 3.06Å; Y264-V268 PolarHBondContact O-N 2.91Å
265A77.3Confident75.7Confident6 Ų671.3 Ų71.35%0.0536%0.359CS..Hα-helixtrans-59.3-44.1177.900000112.1A261 L262 V268 Q269 L299 I303A261-A265 WeakPolarHBondContact O-CB 3.47Å; A261-A265 PolarHBondContact O-N 2.84Å; L262-A265 PolarHBondContact O-N 2.91Å; A265-V268 PolarHBondContact O-N 3.42Å; A265-Q269 WeakPolarHBondContact O-CB 3.04Å; A265-Q269 WeakPolarHBondContact O-CG 3.17Å; A265-Q269 PolarHBondContact O-N 2.88Å; A265-L299 HydrophobicContact CB-CD2 4.44Å; A265-I303 HydrophobicContact CB-CD1 4.04Å
266F77.9Confident77Confident43 Ų4372.1 Ų72.119%0.18936%0.364CS..Hα-helixtrans-66.1-39.2176-67.4-47.9000112.2M148 I233 L262 Y264 Q269 H270M148-F266 HydrophobicContact CB-CD2 4.45Å; M148-F266 HydrophobicContact CB-CE1 3.89Å; M148-F266 HydrophobicContact CB-CE2 3.72Å; M148-F266 HydrophobicContact CB-CZ 3.4Å; M148-F266 VanDerWaalsContact CB-CZ 3.4Å; M148-F266 HydrophobicContact CE-CB 4.49Å; M148-F266 HydrophobicContact CE-CD1 4.37Å; M148-F266 HydrophobicContact CE-CD2 4.25Å; M148-F266 HydrophobicContact CE-CG 4.14Å; M148-F266 HydrophobicContact CG-CE2 4.09Å; M148-F266 HydrophobicContact CG-CZ 4.27Å; I233-F266 HydrophobicContact CG2-CE2 4.49Å; L262-F266 HydrophobicContact CB-CD2 4.35Å; L262-F266 HydrophobicContact CB-CE2 4.02Å; L262-F266 WeakPolarHBondContact O-CB 3.21Å; L262-F266 WeakPolarHBondContact O-CD2 3.47Å; L262-F266 VanDerWaalsContact O-CG 3.31Å; L262-F266 WeakPolarHBondContact O-CG 3.4Å; L262-F266 PolarHBondContact O-N 2.89Å; Y264-F266 VanDerWaalsContact C-N 3.34Å; Y264-F266 PolarHBondContact O-N 2.91Å; F266-Q269 PolarHBondContact O-N 3.27Å; F266-H270 WeakPolarHBondContact O-CB 3.32Å; F266-H270 PolarHBondContact O-N 3.1Å
267W83.8Confident78Confident155 Ų15572.6 Ų72.659%0.58737%0.369SS*.Hα-helixtrans-63.2-45.1175179.984.4000111.8Q263 Y264 H270 I271Q263-W267 VanDerWaalsContact O-CB 3.31Å; Q263-W267 WeakPolarHBondContact O-CB 3.19Å; Q263-W267 PolarHBondContact O-N 2.91Å; Y264-W267 HydrophobicContact CD2-CE3 4.44Å; Y264-W267 HydrophobicContact CE2-CE3 4.34Å; Y264-W267 HydrophobicContact CE2-CZ3 4.38Å; Y264-W267 PolarHBondContact O-N 2.66Å; W267-H270 PolarHBondContact O-N 2.69Å; W267-I271 HydrophobicContact CD2-CD1 3.64Å; W267-I271 HydrophobicContact CE3-CD1 3.91Å; W267-I271 HydrophobicContact CG-CD1 4.41Å; W267-I271 HydrophobicContact CH2-CD1 3.45Å; W267-I271 VanDerWaalsContact CH2-CD1 3.45Å; W267-I271 HydrophobicContact CZ2-CD1 3.14Å; W267-I271 HydrophobicContact CZ3-CD1 3.82Å; W267-I271 WeakPolarHBondContact O-CG1 3.25Å; W267-I271 PolarHBondContact O-N 2.69Å
268V80.7Confident78.7Confident32 Ų3274.3 Ų74.319%0.19437%0.374CS..Hα-helixtrans-59.8-46.9174.21710000110.7Y264 A265 H270 I271 A272 F285Y264-V268 HydrophobicContact CD1-CG2 4.26Å; Y264-V268 HydrophobicContact CD2-CG2 4.42Å; Y264-V268 HydrophobicContact CE1-CG2 3.83Å; Y264-V268 HydrophobicContact CE2-CG2 4.01Å; Y264-V268 WeakPolarHBondContact O-CG2 3.06Å; Y264-V268 PolarHBondContact O-N 2.91Å; A265-V268 PolarHBondContact O-N 3.42Å; V268-H270 VanDerWaalsContact C-N 3.34Å; V268-H270 PolarHBondContact O-N 2.72Å; V268-I271 PolarHBondContact O-N 3.47Å; V268-A272 VanDerWaalsContact O-CB 3.25Å; V268-A272 WeakPolarHBondContact O-CB 3.35Å; V268-A272 PolarHBondContact O-N 3.03Å; V268-F285 HydrophobicContact CG1-CE1 4.36Å; V268-F285 HydrophobicContact CG1-CZ 4.18Å
269Q77.5Confident79.2Confident44 Ų4475.8 Ų75.821%0.20639%0.391CS..Hα-helixtrans-60.3-42.2176.3-78.8177.9-11.800112.2A265 F266 A272 A273 F285A265-Q269 WeakPolarHBondContact O-CB 3.04Å; A265-Q269 WeakPolarHBondContact O-CG 3.17Å; A265-Q269 PolarHBondContact O-N 2.88Å; F266-Q269 PolarHBondContact O-N 3.27Å; Q269-A272 PolarHBondContact O-N 3Å; Q269-A273 WeakPolarHBondContact O-CB 3.35Å; Q269-A273 PolarHBondContact O-N 3.35Å; Q269-F285 HydrophobicContact CG-CD1 3.51Å; Q269-F285 HydrophobicContact CG-CE1 3.67Å; Q269-F285 HydrophobicContact CG-CG 4.34Å
270H79.9Confident79.7Confident108 Ų10878.5 Ų78.550%0.541%0.405SS..Hα-helixtrans-66.3-38.5179.6-171.774.7000112.3F266 W267 V268 K274F266-H270 WeakPolarHBondContact O-CB 3.32Å; F266-H270 PolarHBondContact O-N 3.1Å; W267-H270 PolarHBondContact O-N 2.69Å; V268-H270 VanDerWaalsContact C-N 3.34Å; V268-H270 PolarHBondContact O-N 2.72Å; H270-K274 WeakPolarHBondContact NE2-CE 3.3Å; H270-K274 PolarHBondContact NE2-NZ 2.86Å
271I84.6Confident79.8Confident58 Ų5875.9 Ų75.930%0.29739%0.389SS..Hα-helixtrans-69.2-46.1174.1-71.4178.5000110.7W267 V268 A273 K274 L275W267-I271 HydrophobicContact CD2-CD1 3.64Å; W267-I271 HydrophobicContact CE3-CD1 3.91Å; W267-I271 HydrophobicContact CG-CD1 4.41Å; W267-I271 HydrophobicContact CH2-CD1 3.45Å; W267-I271 VanDerWaalsContact CH2-CD1 3.45Å; W267-I271 HydrophobicContact CZ2-CD1 3.14Å; W267-I271 HydrophobicContact CZ3-CD1 3.82Å; W267-I271 WeakPolarHBondContact O-CG1 3.25Å; W267-I271 PolarHBondContact O-N 2.69Å; V268-I271 PolarHBondContact O-N 3.47Å; I271-A273 VanDerWaalsContact C-N 3.3Å; I271-A273 PolarHBondContact O-N 3.15Å; I271-K274 PolarHBondContact O-N 3.12Å; I271-L275 HydrophobicContact CG2-CD1 3.53Å; I271-L275 HydrophobicContact CG2-CG 4.17Å; I271-L275 PolarHBondContact O-N 3.38Å
272A83.2Confident79.9Confident10 Ų1077.6 Ų77.68%0.08339%0.39CS..Hα-helixtrans-60.2-40179.600000112.2V268 Q269 K274 L275 L276 Y281 F285V268-A272 VanDerWaalsContact O-CB 3.25Å; V268-A272 WeakPolarHBondContact O-CB 3.35Å; V268-A272 PolarHBondContact O-N 3.03Å; Q269-A272 PolarHBondContact O-N 3Å; A272-K274 PolarHBondContact O-N 3.41Å; A272-L275 PolarHBondContact O-N 3.04Å; A272-L276 HydrophobicContact CB-CD1 3.84Å; A272-L276 HydrophobicContact CB-CG 4.23Å; A272-L276 VanDerWaalsContact O-CB 3.3Å; A272-L276 WeakPolarHBondContact O-CB 3.42Å; A272-L276 WeakPolarHBondContact O-CG 3.46Å; A272-L276 PolarHBondContact O-N 2.74Å; A272-Y281 HydrophobicContact CB-CD2 4.07Å; A272-Y281 HydrophobicContact CB-CE2 4.17Å; A272-F285 HydrophobicContact CB-CD2 4.08Å; A272-F285 HydrophobicContact CB-CE2 3.25Å; A272-F285 HydrophobicContact CB-CZ 3.58Å
273A81.4Confident80Confident56 Ų5684.6 Ų84.646%0.46342%0.415SS..Hα-helixtrans-62-24.8176.100000113.2Q269 I271 Y281Q269-A273 WeakPolarHBondContact O-CB 3.35Å; Q269-A273 PolarHBondContact O-N 3.35Å; I271-A273 VanDerWaalsContact C-N 3.3Å; I271-A273 PolarHBondContact O-N 3.15Å; A273-Y281 HydrophobicContact CB-CD2 4.08Å; A273-Y281 HydrophobicContact CB-CE2 3.58Å
274K86.3Confident79.5Confident150 Ų15081.7 Ų81.765%0.65240%0.403SS*.Hα-helixtrans-90.6-29.4177.4-68.4-178.1-175.5175.40113.5H270 I271 A272H270-K274 WeakPolarHBondContact NE2-CE 3.3Å; H270-K274 PolarHBondContact NE2-NZ 2.86Å; I271-K274 PolarHBondContact O-N 3.12Å; A272-K274 PolarHBondContact O-N 3.41Å
275L87.9Confident79.3Confident133 Ų13376.2 Ų76.270%0.69638%0.382SS*.Hα-helixtrans-102.9-34.7-171.6-65.6-178000114I271 A272I271-L275 HydrophobicContact CG2-CD1 3.53Å; I271-L275 HydrophobicContact CG2-CG 4.17Å; I271-L275 PolarHBondContact O-N 3.38Å; A272-L275 PolarHBondContact O-N 3.04Å
276L85.4Confident78.7Confident54 Ų5477 Ų7728%0.28339%0.39SS..SBendtrans-83.9138.2-176-59.9-178.1000110.3A272 M280 F285A272-L276 HydrophobicContact CB-CD1 3.84Å; A272-L276 HydrophobicContact CB-CG 4.23Å; A272-L276 VanDerWaalsContact O-CB 3.3Å; A272-L276 WeakPolarHBondContact O-CB 3.42Å; A272-L276 WeakPolarHBondContact O-CG 3.46Å; A272-L276 PolarHBondContact O-N 2.74Å; L276-M280 HydrophobicContact CB-CB 4.34Å; L276-M280 HydrophobicContact CB-CG 4.43Å; L276-M280 HydrophobicContact CD1-CG 4.24Å; L276-M280 HydrophobicContact CD2-CG 4.29Å; L276-M280 HydrophobicContact CD2-SD 3.75Å; L276-F285 HydrophobicContact CD1-CE2 3.96Å
277P85.7Confident77.5Confident88 Ų8878.5 Ų78.557%0.57141%0.406SS*.  trans-52.6142.9164.5-23.433.3000110.3A279 M280 Y281P277-A279 VanDerWaalsContact C-N 3.25Å; P277-A279 PolarHBondContact O-N 2.84Å; P277-A279 VanDerWaalsContact O-N 3.1Å; P277-M280 WeakPolarHBondContact O-CA 3.38Å; P277-M280 WeakPolarHBondContact O-CB 3.42Å; P277-M280 PolarHBondContact O-N 2.79Å; P277-Y281 PolarHBondContact O-N 3.34Å
278Q78.1Confident75.9Confident142 Ų14277.4 Ų77.466%0.66442%0.416SS*.Hα-helixtrans-49.7-43.6-173.3-175.8179.1-11.900113.2M280 Y281 E282Q278-M280 VanDerWaalsContact C-N 3.31Å; Q278-M280 PolarHBondContact O-N 2.87Å; Q278-Y281 PolarHBondContact O-N 3.45Å; Q278-E282 HydrophobicContact CG-CG 4.38Å; Q278-E282 WeakPolarHBondContact CG-OE1 3.4Å; Q278-E282 PolarHBondContact NE2-OE1 2.86Å; Q278-E282 WeakPolarHBondContact O-CB 3.35Å; Q278-E282 WeakPolarHBondContact O-CG 3.4Å; Q278-E282 PolarHBondContact O-N 2.96Å
279A76.3Confident74Confident76 Ų7679 Ų7963%0.62844%0.44SS*.Hα-helixtrans-60.3-37.9177.300000113.2P277 Y283P277-A279 VanDerWaalsContact C-N 3.25Å; P277-A279 PolarHBondContact O-N 2.84Å; P277-A279 VanDerWaalsContact O-N 3.1Å; A279-Y283 WeakPolarHBondContact O-CB 3.38Å; A279-Y283 PolarHBondContact O-N 3.25Å
280M77.7Confident72Confident102 Ų10281.6 Ų81.650%0.50246%0.459SS..Hα-helixtrans-75.3-35.7177.5-174.8173.2-79.200111.5L276 P277 Q278 T284L276-M280 HydrophobicContact CB-CB 4.34Å; L276-M280 HydrophobicContact CB-CG 4.43Å; L276-M280 HydrophobicContact CD1-CG 4.24Å; L276-M280 HydrophobicContact CD2-CG 4.29Å; L276-M280 HydrophobicContact CD2-SD 3.75Å; P277-M280 WeakPolarHBondContact O-CA 3.38Å; P277-M280 WeakPolarHBondContact O-CB 3.42Å; P277-M280 PolarHBondContact O-N 2.79Å; Q278-M280 VanDerWaalsContact C-N 3.31Å; Q278-M280 PolarHBondContact O-N 2.87Å; M280-T284 WeakPolarHBondContact O-CB 3.44Å; M280-T284 PolarHBondContact O-N 3.16Å; M280-T284 PolarHBondContact O-OG1 2.91Å
281Y75.7Confident69.8Low41 Ų4182.6 Ų82.616%0.16147%0.473CS..Hα-helixtrans-62.9-49.5172.4-178.2-93000111.3A272 A273 P277 Q278 Y283 T284 F285 V288A272-Y281 HydrophobicContact CB-CD2 4.07Å; A272-Y281 HydrophobicContact CB-CE2 4.17Å; A273-Y281 HydrophobicContact CB-CD2 4.08Å; A273-Y281 HydrophobicContact CB-CE2 3.58Å; P277-Y281 PolarHBondContact O-N 3.34Å; Q278-Y281 PolarHBondContact O-N 3.45Å; Y281-Y283 VanDerWaalsContact C-N 3.31Å; Y281-Y283 PolarHBondContact O-N 2.87Å; Y281-T284 CarbonylContact O-C 3.54Å; Y281-T284 PolarHBondContact O-N 3.01Å; Y281-T284 VanDerWaalsContact O-N 3.07Å; Y281-F285 AromaticContact CD2-CD2 3.57Å; Y281-F285 HydrophobicContact CD2-CD2 3.57Å; Y281-F285 HydrophobicContact CD2-CE2 4.2Å; Y281-F285 HydrophobicContact CD2-CG 4.33Å; Y281-F285 HydrophobicContact CE1-CB 4.24Å; Y281-F285 HydrophobicContact CE2-CB 4.14Å; Y281-F285 AromaticContact CE2-CD2 3.66Å; Y281-F285 HydrophobicContact CE2-CD2 3.66Å; Y281-F285 HydrophobicContact CE2-CE2 4.34Å; Y281-F285 HydrophobicContact CE2-CG 4.01Å; Y281-F285 HydrophobicContact CG-CD2 4.23Å; Y281-F285 PolarHBondContact O-N 2.79Å; Y281-V288 HydrophobicContact CE1-CG2 4.26Å
282E75Confident67.5Low76 Ų7684.2 Ų84.236%0.35549%0.485SS..Hα-helixtrans-61.8-39.5178.9-71.9176.6-172.700111.8Q278 T284 G286Q278-E282 HydrophobicContact CG-CG 4.38Å; Q278-E282 WeakPolarHBondContact CG-OE1 3.4Å; Q278-E282 PolarHBondContact NE2-OE1 2.86Å; Q278-E282 WeakPolarHBondContact O-CB 3.35Å; Q278-E282 WeakPolarHBondContact O-CG 3.4Å; Q278-E282 PolarHBondContact O-N 2.96Å; E282-T284 VanDerWaalsContact C-N 3.35Å; E282-G286 CarbonylContact O-C 3.48Å; E282-G286 WeakPolarHBondContact O-CA 3.37Å; E282-G286 PolarHBondContact O-N 2.94Å
283Y73.3Confident65.5Low187 Ų18788.6 Ų88.673%0.73351%0.511SS*.Hα-helixtrans-62.6-41.2172.3-179-97.7000112.5A279 Y281A279-Y283 WeakPolarHBondContact O-CB 3.38Å; A279-Y283 PolarHBondContact O-N 3.25Å; Y281-Y283 VanDerWaalsContact C-N 3.31Å; Y281-Y283 PolarHBondContact O-N 2.87Å
284T65.8Low63.4Low18 Ų1892.7 Ų92.711%0.1152%0.52CS..Hα-helixtrans-91.1-15.1-171.7-48.70000113.7M280 Y281 E282 S296 L298M280-T284 WeakPolarHBondContact O-CB 3.44Å; M280-T284 PolarHBondContact O-N 3.16Å; M280-T284 PolarHBondContact O-OG1 2.91Å; Y281-T284 CarbonylContact O-C 3.54Å; Y281-T284 PolarHBondContact O-N 3.01Å; Y281-T284 VanDerWaalsContact O-N 3.07Å; E282-T284 VanDerWaalsContact C-N 3.35Å; T284-S296 WeakPolarHBondContact O-CB 3.37Å; T284-S296 PolarHBondContact O-OG 3.44Å; T284-L298 HydrophobicContact CG2-CB 4.07Å; T284-L298 HydrophobicContact CG2-CD1 4.36Å; T284-L298 HydrophobicContact CG2-CD2 3.89Å; T284-L298 HydrophobicContact CG2-CG 4.33Å
285F71.5Confident61.8Low22 Ų2288.4 Ų88.410%0.09650%0.504CS..Hα-helixtrans-139.3-3.8-175.6-62.7-79.5000113.8V268 Q269 A272 L276 Y281 L299V268-F285 HydrophobicContact CG1-CE1 4.36Å; V268-F285 HydrophobicContact CG1-CZ 4.18Å; Q269-F285 HydrophobicContact CG-CD1 3.51Å; Q269-F285 HydrophobicContact CG-CE1 3.67Å; Q269-F285 HydrophobicContact CG-CG 4.34Å; A272-F285 HydrophobicContact CB-CD2 4.08Å; A272-F285 HydrophobicContact CB-CE2 3.25Å; A272-F285 HydrophobicContact CB-CZ 3.58Å; L276-F285 HydrophobicContact CD1-CE2 3.96Å; Y281-F285 AromaticContact CD2-CD2 3.57Å; Y281-F285 HydrophobicContact CD2-CD2 3.57Å; Y281-F285 HydrophobicContact CD2-CE2 4.2Å; Y281-F285 HydrophobicContact CD2-CG 4.33Å; Y281-F285 HydrophobicContact CE1-CB 4.24Å; Y281-F285 HydrophobicContact CE2-CB 4.14Å; Y281-F285 AromaticContact CE2-CD2 3.66Å; Y281-F285 HydrophobicContact CE2-CD2 3.66Å; Y281-F285 HydrophobicContact CE2-CE2 4.34Å; Y281-F285 HydrophobicContact CE2-CG 4.01Å; Y281-F285 HydrophobicContact CG-CD2 4.23Å; Y281-F285 PolarHBondContact O-N 2.79Å; F285-L299 HydrophobicContact CD1-CD1 4.02Å; F285-L299 HydrophobicContact CE1-CD1 3.62Å
286G64.9Low59.9Low22 Ų2282.6 Ų82.623%0.22747%0.474CS..  trans85.5166.2-174.100000112.9E282E282-G286 CarbonylContact O-C 3.48Å; E282-G286 WeakPolarHBondContact O-CA 3.37Å; E282-G286 PolarHBondContact O-N 2.94Å
287S53.8Low58.3Low75 Ų7584.2 Ų84.252%0.52449%0.49SS..  trans-83129.2176.3-173.50000110.8G289S287-G289 PolarHBondContact O-N 2.79Å
288V49.3Very low56.4Low131 Ų13184.2 Ų84.279%0.79449%0.485SS*.THydrogen-bonded Turntrans-74.575.9173.7-173.70000108.4Y281Y281-V288 HydrophobicContact CE1-CG2 4.26Å
289G41.4Very low55.1Low67 Ų6778.1 Ų78.169%0.69146%0.457SS*.THydrogen-bonded Turntrans-166.6-10.9-173.300000117.6S287S287-G289 PolarHBondContact O-N 2.79Å
290T34Very low53.8Low98 Ų9880.8 Ų80.860%0.60145%0.45SS*.SBendtrans-123.7147.6-178.156.40000110.7T292T290-T292 PolarHBondContact O-N 3.34Å
291T34Very low52.3Low129 Ų12980.5 Ų80.579%0.79146%0.459SS*.SBendtrans-66.220.8-173.1400000115.2
292T37.1Very low50.8Low92 Ų9283.8 Ų83.856%0.56448%0.478SS*.SBendtrans-142.2108-179.442.40000106.9T290 E294T290-T292 PolarHBondContact O-N 3.34Å; T292-E294 VanDerWaalsContact C-N 3.32Å; T292-E294 PolarHBondContact O-N 2.84Å
293V40.1Very low49.6Very low101 Ų10182.5 Ų82.561%0.61247%0.474SS*.  trans-73.692.5171.4-179.50000106.7I295V293-I295 PolarHBondContact O-N 2.91Å; V293-I295 VanDerWaalsContact O-N 3.08Å
294E39Very low48Very low143 Ų14375.6 Ų75.667%0.66846%0.459SS*.  trans-69105.2166.7-77.8-161.9152.600108.1T292 S296T292-E294 VanDerWaalsContact C-N 3.32Å; T292-E294 PolarHBondContact O-N 2.84Å; E294-S296 PolarHBondContact O-N 3.33Å; E294-S296 VanDerWaalsContact O-N 3.12Å
295I52Low47.2Very low60 Ų6077 Ų7731%0.30847%0.465SS..  trans-55.6120.4168.3-56.1174.9000106.4V293 L299 R300V293-I295 PolarHBondContact O-N 2.91Å; V293-I295 VanDerWaalsContact O-N 3.08Å; I295-L299 HydrophobicContact CG2-CB 3.71Å; I295-L299 HydrophobicContact CG2-CD2 3.89Å; I295-L299 HydrophobicContact CG2-CG 4.38Å; I295-R300 HydrophobicContact CB-CG 4.14Å; I295-R300 HydrophobicContact CG2-CG 3.7Å; I295-R300 VanDerWaalsContact O-CZ 3.31Å; I295-R300 PolarHBondContact O-NE 3.28Å; I295-R300 PolarHBondContact O-NH2 3.43Å
296S48.8Very low45.6Very low11 Ų1179.6 Ų79.68%0.07749%0.486CS..  trans-60.1154.9178.569.60000112T284 E294 L298 L299 R300T284-S296 WeakPolarHBondContact O-CB 3.37Å; T284-S296 PolarHBondContact O-OG 3.44Å; E294-S296 PolarHBondContact O-N 3.33Å; E294-S296 VanDerWaalsContact O-N 3.12Å; S296-L298 PolarHBondContact O-N 3.04Å; S296-L298 VanDerWaalsContact O-N 3.15Å; S296-L299 PolarHBondContact O-N 2.87Å; S296-L299 VanDerWaalsContact O-N 3.08Å; S296-L299 PolarHBondContact OG-N 3.38Å; S296-R300 WeakPolarHBondContact O-CG 3.23Å; S296-R300 PolarHBondContact O-N 2.75Å
297S49.9Very low44.4Very low87 Ų8785.8 Ų85.861%0.60851%0.507SS*.Hα-helixtrans-52.9-36.1176.155.70000112.4R300 S301S297-R300 PolarHBondContact O-N 2.02Å; S297-S301 PolarHBondContact O-N 3.27Å
298L47.7Very low43.9Very low89 Ų8990.9 Ų90.947%0.46652%0.516SS..Hα-helixtrans-67.3-41.9179.4-141.4112.6000112.1T284 S296 S301 L302T284-L298 HydrophobicContact CG2-CB 4.07Å; T284-L298 HydrophobicContact CG2-CD1 4.36Å; T284-L298 HydrophobicContact CG2-CD2 3.89Å; T284-L298 HydrophobicContact CG2-CG 4.33Å; S296-L298 PolarHBondContact O-N 3.04Å; S296-L298 VanDerWaalsContact O-N 3.15Å; L298-S301 WeakPolarHBondContact O-CB 2.97Å; L298-S301 PolarHBondContact O-N 3.32Å; L298-L302 HydrophobicContact CD2-CD1 3.89Å; L298-L302 WeakPolarHBondContact O-CB 3.04Å; L298-L302 WeakPolarHBondContact O-CG 3.45Å; L298-L302 PolarHBondContact O-N 3.05Å
299L49.5Very low43.1Very low13 Ų1390.9 Ų90.97%0.06851%0.506CS..Hα-helixtrans-73.8-32.6178.8-144.193.8000111.7A265 F285 I295 S296 S301 L302 I303A265-L299 HydrophobicContact CB-CD2 4.44Å; F285-L299 HydrophobicContact CD1-CD1 4.02Å; F285-L299 HydrophobicContact CE1-CD1 3.62Å; I295-L299 HydrophobicContact CG2-CB 3.71Å; I295-L299 HydrophobicContact CG2-CD2 3.89Å; I295-L299 HydrophobicContact CG2-CG 4.38Å; S296-L299 PolarHBondContact O-N 2.87Å; S296-L299 VanDerWaalsContact O-N 3.08Å; S296-L299 PolarHBondContact OG-N 3.38Å; L299-S301 VanDerWaalsContact C-N 3.27Å; L299-S301 PolarHBondContact O-N 2.81Å; L299-L302 PolarHBondContact O-N 2.85Å; L299-I303 HydrophobicContact CD2-CD1 3.67Å; L299-I303 HydrophobicContact CG-CD1 3.71Å; L299-I303 HydrophobicContact CG-CG1 4.35Å; L299-I303 WeakPolarHBondContact O-CG1 3.37Å; L299-I303 PolarHBondContact O-N 3.4Å; L299-I303 VanDerWaalsContact O-N 3.16Å
300R49.5Very low42.5Very low132 Ų13292.7 Ų92.750%0.49850%0.503SS..Hα-helixtrans-61.6-36.7170.3-67.5-179.4-156.2-135.93.1111.8I295 S296 S297I295-R300 HydrophobicContact CB-CG 4.14Å; I295-R300 HydrophobicContact CG2-CG 3.7Å; I295-R300 VanDerWaalsContact O-CZ 3.31Å; I295-R300 PolarHBondContact O-NE 3.28Å; I295-R300 PolarHBondContact O-NH2 3.43Å; S296-R300 WeakPolarHBondContact O-CG 3.23Å; S296-R300 PolarHBondContact O-N 2.75Å; S297-R300 PolarHBondContact O-N 2.02Å
301S44.9Very low42.5Very low97 Ų9795.1 Ų95.168%0.67852%0.524SS*.Hα-helixtrans-73.3-45.7175.8178.20000112.4S297 L298 L299 G304S297-S301 PolarHBondContact O-N 3.27Å; L298-S301 WeakPolarHBondContact O-CB 2.97Å; L298-S301 PolarHBondContact O-N 3.32Å; L299-S301 VanDerWaalsContact C-N 3.27Å; L299-S301 PolarHBondContact O-N 2.81Å; S301-G304 PolarHBondContact O-N 3.23Å
302L44.2Very low42.9Very low109 Ų10993.5 Ų93.557%0.57151%0.511SS*.Hα-helixtrans-70.3-33.8-174-78.4169.1000114.4L298 L299 G304L298-L302 HydrophobicContact CD2-CD1 3.89Å; L298-L302 WeakPolarHBondContact O-CB 3.04Å; L298-L302 WeakPolarHBondContact O-CG 3.45Å; L298-L302 PolarHBondContact O-N 3.05Å; L299-L302 PolarHBondContact O-N 2.85Å; L302-G304 VanDerWaalsContact C-N 3.31Å
303I50.3Low43.2Very low50 Ų5093.5 Ų93.526%0.25651%0.508SS..THydrogen-bonded Turntrans-89.80.3-176.8-45.1162.8000111.4A261 A265 L299 I305A261-I303 HydrophobicContact CB-CG2 4.42Å; A265-I303 HydrophobicContact CB-CD1 4.04Å; L299-I303 HydrophobicContact CD2-CD1 3.67Å; L299-I303 HydrophobicContact CG-CD1 3.71Å; L299-I303 HydrophobicContact CG-CG1 4.35Å; L299-I303 WeakPolarHBondContact O-CG1 3.37Å; L299-I303 PolarHBondContact O-N 3.4Å; L299-I303 VanDerWaalsContact O-N 3.16Å; I303-I305 HydrophobicContact CB-CD1 3.6Å; I303-I305 HydrophobicContact CB-CG1 3.48Å; I303-I305 VanDerWaalsContact CB-CG1 3.48Å; I303-I305 HydrophobicContact CD1-CD1 3.97Å; I303-I305 HydrophobicContact CG1-CD1 4.41Å; I303-I305 HydrophobicContact CG2-CD1 3.38Å; I303-I305 HydrophobicContact CG2-CG1 3.33Å; I303-I305 WeakPolarHBondContact O-CG1 3.16Å; I303-I305 PolarHBondContact O-N 2.59Å
304G39.5Very low43.4Very low42 Ų4293.1 Ų93.143%0.43350%0.502SS..  trans56.616.1-179.400000113.6S301 L302 S306S301-G304 PolarHBondContact O-N 3.23Å; L302-G304 VanDerWaalsContact C-N 3.31Å; G304-S306 PolarHBondContact O-N 3.03Å
305I48.9Very low43.7Very low47 Ų4790.2 Ų90.224%0.24149%0.492CS..G310 helixtrans-80.81.5-177.9-35.5169.7000110.4I303 K307 Y308 F309I303-I305 HydrophobicContact CB-CD1 3.6Å; I303-I305 HydrophobicContact CB-CG1 3.48Å; I303-I305 VanDerWaalsContact CB-CG1 3.48Å; I303-I305 HydrophobicContact CD1-CD1 3.97Å; I303-I305 HydrophobicContact CG1-CD1 4.41Å; I303-I305 HydrophobicContact CG2-CD1 3.38Å; I303-I305 HydrophobicContact CG2-CG1 3.33Å; I303-I305 WeakPolarHBondContact O-CG1 3.16Å; I303-I305 PolarHBondContact O-N 2.59Å; I305-K307 PolarHBondContact O-N 3.22Å; I305-Y308 HydrophobicContact CG2-CD2 4.23Å; I305-Y308 HydrophobicContact CG2-CG 4.45Å; I305-Y308 CarbonylContact O-C 3.59Å; I305-Y308 PolarHBondContact O-N 3.23Å; I305-F309 HydrophobicContact CB-CD2 4.32Å; I305-F309 HydrophobicContact CG2-CD2 3.51Å; I305-F309 HydrophobicContact CG2-CE2 3.96Å; I305-F309 PolarHBondContact O-N 3.06Å
306S39Very low43.1Very low77 Ų7792.1 Ų92.154%0.53850%0.504SS..G310 helixtrans-57.1-21.316866.70000112.3G304 V310G304-S306 PolarHBondContact O-N 3.03Å; S306-V310 VanDerWaalsContact O-CG2 3.27Å; S306-V310 WeakPolarHBondContact O-CG2 3.49Å
307K40.5Very low42.8Very low151 Ų15197.5 Ų97.566%0.65753%0.532SS*.G310 helixtrans-82-12.6172-70.8-172.1176-175.40115I305I305-K307 PolarHBondContact O-N 3.22Å
308Y42.3Very low42.3Very low182 Ų18298.2 Ų98.271%0.71453%0.527SS*.THydrogen-bonded Turntrans-118.9-4.2177.7-54.7-85.3000113.5I305I305-Y308 HydrophobicContact CG2-CD2 4.23Å; I305-Y308 HydrophobicContact CG2-CG 4.45Å; I305-Y308 CarbonylContact O-C 3.59Å; I305-Y308 PolarHBondContact O-N 3.23Å
309F31.8Very low41.8Very low132 Ų13298.9 Ų98.958%0.57953%0.532SS*.  trans-125.577.4165.2-78.6-86.1000107.8I305I305-F309 HydrophobicContact CB-CD2 4.32Å; I305-F309 HydrophobicContact CG2-CD2 3.51Å; I305-F309 HydrophobicContact CG2-CE2 3.96Å; I305-F309 PolarHBondContact O-N 3.06Å
310V29.7Very low41.2Very low105 Ų105106.1 Ų106.164%0.63657%0.57SS**  trans-98.8134.5158.8178.60000105.9S306S306-V310 VanDerWaalsContact O-CG2 3.27Å; S306-V310 WeakPolarHBondContact O-CG2 3.49Å
311S33.8Very low40.4Very low149 Ų149103.7 Ų103.7100%1.04258%0.577SS**  trans-4.30178.9-57.20000118.3

Retrieved 311 of 311 residues in 130.4 ms (Link to these results)