A0A096M0T4_POEFO Loading...

Transmembrane protein 231

Transmembrane component of the tectonic-like complex, a complex localized at the transition zone of primary cilia and acting as a barrier that prevents diffusion of transmembrane proteins between the cilia and plasma membranes. Required for ciliogenesis and sonic hedgehog/SHH signaling.

AlphaFold DB , UniProt , Accession A0A096M0T4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 309 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
1M48.7Very low67Low222 Ų222145.5 Ų145.5100%1.09477%0.765SS**  0126.60-76.4179.3176.800107.8F3M1-F3 PolarHBondContact O-N 3.2Å
2A55.5Low67.5Low102 Ų102143.4 Ų143.484%0.84375%0.754SS**  trans-79.6114.6176.900000108.6
3F70.2Confident67.9Low203 Ų203137.8 Ų137.889%0.8973%0.728SS**  trans-72.4128.8172.5-64.3-82.8000108.4M1M1-F3 PolarHBondContact O-N 3.2Å
4Y73.9Confident68.4Low189 Ų189138.9 Ų138.974%0.74172%0.718SS**  trans-115.3146171.766.3-88.8000109.5V6Y4-V6 HydrophobicContact CD2-CG2 4.14Å; Y4-V6 HydrophobicContact CE2-CG2 3.78Å; Y4-V6 PolarHBondContact O-N 3Å
5E73.8Confident68.9Low161 Ų161134.7 Ų134.775%0.75269%0.69SS**  trans-74.2111.1-176.7-154.7175.9-168.700109.2
6V79.7Confident69.3Low120 Ų120137 Ų13773%0.72769%0.687SS**  trans-82.6-29.9-176.3-177.60000111.5Y4Y4-V6 HydrophobicContact CD2-CG2 4.14Å; Y4-V6 HydrophobicContact CE2-CG2 3.78Å; Y4-V6 PolarHBondContact O-N 3Å
7Y61.3Low69.7Low185 Ų185132.6 Ų132.673%0.72567%0.669SS**  trans-159.9133.6-175.7-174.8-105.2000110.6H9Y7-H9 HydrophobicContact CE1-CB 3.99Å
8S74.4Confident70Confident85 Ų85129.6 Ų129.659%0.59466%0.662SS**  trans-129.5144.3169.964.90000109.7
9H55.6Low69.9Low133 Ų133129.8 Ų129.862%0.61667%0.67SS**  trans-134.3143.9175.770.4-62.9000109Y7 A11Y7-H9 HydrophobicContact CE1-CB 3.99Å; H9-A11 PolarHBondContact O-N 2.94Å
10P69.1Low70Confident129 Ų129129.8 Ų129.884%0.83868%0.68SS**  trans-72.3121.4-177.126.7-31.9000111.1
11A74.7Confident70.6Confident72 Ų72125.8 Ų125.860%0.59566%0.661SS**  trans-79.8128170.900000110.7H9 V13H9-A11 PolarHBondContact O-N 2.94Å; A11-V13 PolarHBondContact O-N 2.98Å
12L72.8Confident72.1Confident120 Ų120123.9 Ų123.963%0.62865%0.647SS**  trans-8498.2-178.3-159.6162.8000110.2R14L12-R14 HydrophobicContact CD2-CG 3.37Å
13V73.1Confident73.3Confident70 Ų70119.1 Ų119.142%0.42461%0.607SS.*  trans-84.8122.5173.6-175.40000109.4A11 Y15A11-V13 PolarHBondContact O-N 2.98Å; V13-Y15 HydrophobicContact CB-CE2 4.23Å; V13-Y15 HydrophobicContact CG1-CD2 4.39Å; V13-Y15 HydrophobicContact CG1-CE1 4.36Å; V13-Y15 HydrophobicContact CG1-CE2 3.7Å
14R75.4Confident73.9Confident154 Ų154110.9 Ų110.958%0.58157%0.574SS**EExtended strand (participates in β ladder)trans-102.5129.8178.5-65.4-175.3177.6177.2-1.8110.4L12 I301L12-R14 HydrophobicContact CD2-CG 3.37Å; R14-I301 HydrophobicContact CB-CD1 4.31Å; R14-I301 PolarHBondContact O-N 2.92Å
15Y75.1Confident74.5Confident76 Ų76107.5 Ų107.530%0.29857%0.568SS.*EExtended strand (participates in β ladder)trans-108129.6173.7-60.7-89.4000109.2V13 F291 T298 P300V13-Y15 HydrophobicContact CB-CE2 4.23Å; V13-Y15 HydrophobicContact CG1-CD2 4.39Å; V13-Y15 HydrophobicContact CG1-CE1 4.36Å; V13-Y15 HydrophobicContact CG1-CE2 3.7Å; Y15-F291 HydrophobicContact CD1-CB 4.35Å; Y15-F291 HydrophobicContact CD2-CB 4.14Å; Y15-F291 HydrophobicContact CE1-CB 4.12Å; Y15-F291 WeakPolarHBondContact CE1-O 3.33Å; Y15-F291 HydrophobicContact CE2-CB 3.92Å; Y15-F291 HydrophobicContact CG-CB 4.35Å; Y15-F291 PolarHBondContact OH-O 3.15Å; Y15-T298 WeakPolarHBondContact CD1-OG1 3.41Å; Y15-P300 HydrophobicContact CD1-CB 4.17Å; Y15-P300 HydrophobicContact CE1-CB 3.99Å
16R75.1Confident75.1Confident171 Ų171101.9 Ų101.965%0.64554%0.541SS*.EExtended strand (participates in β ladder)trans-114.3142.9176.8-72.2-168-179169.3-1.3111.9V299 I301R16-V299 PolarHBondContact N-O 3.03Å; R16-V299 VanDerWaalsContact N-O 3.15Å; R16-V299 PolarHBondContact O-N 3.35Å; R16-I301 HydrophobicContact CG-CD1 3.77Å
17T76.7Confident75.5Confident63 Ų6399.2 Ų99.239%0.38752%0.522SS..  trans-146.1165.9176.862.90000110.2A23 T298T17-A23 HydrophobicContact CG2-CB 3.66Å; T17-T298 HydrophobicContact CG2-CG2 3.56Å
18S74.4Confident76.7Confident78 Ų7894.7 Ų94.755%0.54551%0.514SS..  trans-94161172.576.40000111.8C20 T21 T24S18-C20 VanDerWaalsContact C-N 3.33Å; S18-C20 PolarHBondContact O-N 2.84Å; S18-T21 WeakPolarHBondContact O-CG2 3.17Å; S18-T21 PolarHBondContact O-OG1 3.26Å; S18-T21 WeakPolarHBondContact OG-CG2 3.49Å; S18-T24 WeakPolarHBondContact O-CG2 3.36Å
19V69.4Low77.5Confident134 Ų13493.8 Ų93.881%0.81251%0.505SS*.THydrogen-bonded Turntrans-61.8-32.1-166-168.50000113.9T24V19-T24 WeakPolarHBondContact O-CB 3.16Å; V19-T24 PolarHBondContact O-OG1 2.71Å
20C71.8Confident79.2Confident128 Ų12887.7 Ų87.787%0.86548%0.476SS*.THydrogen-bonded Turntrans-107.961.2179.1-82.20000112.3S18S18-C20 VanDerWaalsContact C-N 3.33Å; S18-C20 PolarHBondContact O-N 2.84Å
21T81.9Confident80.2Confident46 Ų4686.4 Ų86.428%0.28246%0.462SS..SBendtrans-125.1161.1179.356.40000112.1S18 A23 T24 L25S18-T21 WeakPolarHBondContact O-CG2 3.17Å; S18-T21 PolarHBondContact O-OG1 3.26Å; S18-T21 WeakPolarHBondContact OG-CG2 3.49Å; T21-A23 PolarHBondContact O-N 3.24Å; T21-A23 VanDerWaalsContact O-N 3.1Å; T21-T24 PolarHBondContact N-OG1 3.1Å; T21-T24 VanDerWaalsContact N-OG1 3.1Å; T21-T24 PolarHBondContact O-N 3.49Å; T21-T24 VanDerWaalsContact O-N 3.08Å; T21-T24 PolarHBondContact O-OG1 3Å; T21-L25 PolarHBondContact O-N 3.12Å; T21-L25 VanDerWaalsContact O-N 3.12Å
22K80.9Confident81.1Confident183 Ų18385.4 Ų85.480%0.79645%0.45SS*.Hα-helixtrans-55.4-29.1174.3-65.2-175.2179.9-176.60112.2F26 I296K22-F26 WeakPolarHBondContact O-CB 3.43Å; K22-F26 PolarHBondContact O-N 2.88Å; K22-I296 HydrophobicContact CB-CG2 4.48Å
23A80.6Confident82Confident1 Ų183.4 Ų83.41%0.00844%0.44CS..Hα-helixtrans-70.9-40176.700000113.5T17 T21 F26 L27 I296 T298T17-A23 HydrophobicContact CG2-CB 3.66Å; T21-A23 PolarHBondContact O-N 3.24Å; T21-A23 VanDerWaalsContact O-N 3.1Å; A23-F26 PolarHBondContact O-N 2.93Å; A23-L27 WeakPolarHBondContact O-CG 3.24Å; A23-L27 PolarHBondContact O-N 3.27Å; A23-I296 HydrophobicContact CB-CG2 3.7Å; A23-T298 HydrophobicContact CB-CG2 4.2Å
24T82.5Confident82.9Confident30 Ų3080.7 Ų80.718%0.18442%0.423CS..Hα-helixtrans-70.2-39.317653.70000111S18 V19 T21 F26 L27 V28S18-T24 WeakPolarHBondContact O-CG2 3.36Å; V19-T24 WeakPolarHBondContact O-CB 3.16Å; V19-T24 PolarHBondContact O-OG1 2.71Å; T21-T24 PolarHBondContact N-OG1 3.1Å; T21-T24 VanDerWaalsContact N-OG1 3.1Å; T21-T24 PolarHBondContact O-N 3.49Å; T21-T24 VanDerWaalsContact O-N 3.08Å; T21-T24 PolarHBondContact O-OG1 3Å; T24-F26 PolarHBondContact O-N 3.08Å; T24-L27 PolarHBondContact O-N 3.43Å; T24-V28 WeakPolarHBondContact O-CG2 3.42Å; T24-V28 PolarHBondContact O-N 2.96Å
25L85.6Confident83.7Confident119 Ų11978.8 Ų78.862%0.62342%0.417SS*.Hα-helixtrans-60.6-44.4171.9-175.2129.8000111.8T21 L27 V28 V29T21-L25 PolarHBondContact O-N 3.12Å; T21-L25 VanDerWaalsContact O-N 3.12Å; L25-L27 PolarHBondContact O-N 3.1Å; L25-V28 PolarHBondContact O-N 3.33Å; L25-V29 HydrophobicContact CD2-CG2 4.39Å; L25-V29 VanDerWaalsContact O-CG2 3.29Å; L25-V29 WeakPolarHBondContact O-CG2 3.18Å; L25-V29 PolarHBondContact O-N 3.47Å
26F87.5Confident84.6Confident42 Ų4279.5 Ų79.518%0.18443%0.425CS..Hα-helixtrans-59.4-45.8174.3172.8-101.8000112.3K22 A23 T24 V28 V29 V30 I286 Q287 V290 F291 I296K22-F26 WeakPolarHBondContact O-CB 3.43Å; K22-F26 PolarHBondContact O-N 2.88Å; A23-F26 PolarHBondContact O-N 2.93Å; T24-F26 PolarHBondContact O-N 3.08Å; F26-V28 PolarHBondContact O-N 2.65Å; F26-V29 PolarHBondContact O-N 3.4Å; F26-V30 HydrophobicContact CD1-CG2 4.3Å; F26-V30 HydrophobicContact CD2-CG2 4.09Å; F26-V30 HydrophobicContact CE1-CG2 3.86Å; F26-V30 HydrophobicContact CE2-CG2 3.62Å; F26-V30 HydrophobicContact CG-CG2 4.4Å; F26-V30 HydrophobicContact CZ-CG2 3.5Å; F26-V30 VanDerWaalsContact CZ-CG2 3.5Å; F26-V30 WeakPolarHBondContact O-CG2 3.46Å; F26-V30 PolarHBondContact O-N 3.23Å; F26-I286 HydrophobicContact CZ-CG2 4.43Å; F26-Q287 HydrophobicContact CE1-CG 4.32Å; F26-V290 HydrophobicContact CD1-CG1 4.35Å; F26-V290 HydrophobicContact CE1-CB 4.16Å; F26-V290 HydrophobicContact CE1-CG1 3.81Å; F26-V290 HydrophobicContact CE1-CG2 4.41Å; F26-V290 HydrophobicContact CE2-CG2 4.37Å; F26-V290 HydrophobicContact CZ-CB 4.04Å; F26-V290 HydrophobicContact CZ-CG1 3.94Å; F26-V290 HydrophobicContact CZ-CG2 3.78Å; F26-F291 HydrophobicContact CD1-CZ 4.28Å; F26-F291 HydrophobicContact CE1-CE2 4.39Å; F26-F291 HydrophobicContact CE1-CZ 4.4Å; F26-I296 HydrophobicContact CB-CD1 3.57Å; F26-I296 HydrophobicContact CD1-CD1 3.77Å; F26-I296 HydrophobicContact CD2-CD1 3.99Å; F26-I296 HydrophobicContact CE1-CD1 4.47Å; F26-I296 HydrophobicContact CG-CD1 3.49Å; F26-I296 VanDerWaalsContact CG-CD1 3.49Å
27L86.5Confident85.4Confident65 Ų6572.4 Ų72.434%0.3440%0.403SS..Hα-helixtrans-60.8-43.1176.6-78.3172.2000112.2A23 T24 L25 V30 L31 F291A23-L27 WeakPolarHBondContact O-CG 3.24Å; A23-L27 PolarHBondContact O-N 3.27Å; T24-L27 PolarHBondContact O-N 3.43Å; L25-L27 PolarHBondContact O-N 3.1Å; L27-V30 PolarHBondContact O-N 3.02Å; L27-L31 VanDerWaalsContact O-CB 3.26Å; L27-L31 WeakPolarHBondContact O-CB 3.28Å; L27-L31 PolarHBondContact O-N 3.39Å; L27-F291 HydrophobicContact CD1-CZ 4.37Å; L27-F291 HydrophobicContact CD2-CE2 3.94Å; L27-F291 HydrophobicContact CD2-CZ 3.87Å; L27-F291 HydrophobicContact CG-CZ 4.05Å
28V88.4Confident86.1Confident89 Ų8969.4 Ų69.454%0.53939%0.385SS..Hα-helixtrans-62.2-45.6176171.40000110.7T24 L25 F26 L31 C32T24-V28 WeakPolarHBondContact O-CG2 3.42Å; T24-V28 PolarHBondContact O-N 2.96Å; L25-V28 PolarHBondContact O-N 3.33Å; F26-V28 PolarHBondContact O-N 2.65Å; V28-L31 PolarHBondContact O-N 3.46Å; V28-C32 WeakPolarHBondContact O-CB 3.33Å; V28-C32 PolarHBondContact O-N 2.85Å; V28-C32 PolarHBondContact O-SG 2.89Å
29V90.7Very high86.9Confident67 Ų6769.5 Ų69.541%0.40638%0.379SS..Hα-helixtrans-62.2-45.7177.8170.20000111.2L25 F26 L31 C32 L33L25-V29 HydrophobicContact CD2-CG2 4.39Å; L25-V29 VanDerWaalsContact O-CG2 3.29Å; L25-V29 WeakPolarHBondContact O-CG2 3.18Å; L25-V29 PolarHBondContact O-N 3.47Å; F26-V29 PolarHBondContact O-N 3.4Å; V29-L31 VanDerWaalsContact C-N 3.34Å; V29-L31 PolarHBondContact O-N 3.11Å; V29-C32 PolarHBondContact O-N 3.35Å; V29-L33 HydrophobicContact CG1-CD1 3.86Å; V29-L33 HydrophobicContact CG1-CG 4.37Å; V29-L33 WeakPolarHBondContact O-CB 3.33Å; V29-L33 VanDerWaalsContact O-CG 3.31Å; V29-L33 WeakPolarHBondContact O-CG 3.44Å; V29-L33 PolarHBondContact O-N 3.42Å
30V90.4Very high88Confident4 Ų468 Ų682%0.02437%0.365CS..Hα-helixtrans-63.2-42.1177.1172.80000110.9F26 L27 L33 T34 F283 Q287F26-V30 HydrophobicContact CD1-CG2 4.3Å; F26-V30 HydrophobicContact CD2-CG2 4.09Å; F26-V30 HydrophobicContact CE1-CG2 3.86Å; F26-V30 HydrophobicContact CE2-CG2 3.62Å; F26-V30 HydrophobicContact CG-CG2 4.4Å; F26-V30 HydrophobicContact CZ-CG2 3.5Å; F26-V30 VanDerWaalsContact CZ-CG2 3.5Å; F26-V30 WeakPolarHBondContact O-CG2 3.46Å; F26-V30 PolarHBondContact O-N 3.23Å; L27-V30 PolarHBondContact O-N 3.02Å; V30-L33 PolarHBondContact O-N 3.3Å; V30-T34 VanDerWaalsContact O-CB 3.31Å; V30-T34 WeakPolarHBondContact O-CB 3.26Å; V30-T34 PolarHBondContact O-N 3.48Å; V30-T34 PolarHBondContact O-OG1 2.86Å; V30-F283 HydrophobicContact CG1-CB 3.87Å; V30-F283 HydrophobicContact CG1-CD1 3.7Å; V30-F283 HydrophobicContact CG1-CG 4.07Å; V30-Q287 HydrophobicContact CG1-CG 3.84Å; V30-Q287 HydrophobicContact CG2-CG 4.48Å
31L90.7Very high88.9Confident102 Ų10265.1 Ų65.153%0.53434%0.344SS..Hα-helixtrans-61.3-48.9176.6-169.6155.5000110.6L27 V28 V29 L33 T34 Y35L27-L31 VanDerWaalsContact O-CB 3.26Å; L27-L31 WeakPolarHBondContact O-CB 3.28Å; L27-L31 PolarHBondContact O-N 3.39Å; V28-L31 PolarHBondContact O-N 3.46Å; V29-L31 VanDerWaalsContact C-N 3.34Å; V29-L31 PolarHBondContact O-N 3.11Å; L31-L33 PolarHBondContact O-N 3.37Å; L31-T34 PolarHBondContact O-N 3.04Å; L31-T34 VanDerWaalsContact O-N 3.16Å; L31-Y35 HydrophobicContact CD2-CD2 3.8Å; L31-Y35 HydrophobicContact CD2-CE2 4.16Å; L31-Y35 HydrophobicContact CG-CD2 4Å; L31-Y35 HydrophobicContact CG-CE2 3.98Å; L31-Y35 VanDerWaalsContact O-CD2 3.28Å; L31-Y35 WeakPolarHBondContact O-CD2 3.36Å; L31-Y35 PolarHBondContact O-N 3.28Å; L31-Y35 VanDerWaalsContact O-N 3.09Å
32C92.4Very high89.3Confident51 Ų5162.9 Ų62.935%0.34533%0.33SS..Hα-helixtrans-55.9-48.7175-73.70000111.5V28 V29 T34 Y35 I36V28-C32 WeakPolarHBondContact O-CB 3.33Å; V28-C32 PolarHBondContact O-N 2.85Å; V28-C32 PolarHBondContact O-SG 2.89Å; V29-C32 PolarHBondContact O-N 3.35Å; C32-T34 VanDerWaalsContact C-N 3.32Å; C32-T34 PolarHBondContact O-N 3.16Å; C32-Y35 PolarHBondContact O-N 3.42Å; C32-I36 HydrophobicContact CB-CD1 4.04Å; C32-I36 WeakPolarHBondContact O-CA 3.25Å; C32-I36 WeakPolarHBondContact O-CB 3.39Å; C32-I36 VanDerWaalsContact O-CG1 3.29Å; C32-I36 WeakPolarHBondContact O-CG1 3.36Å; C32-I36 PolarHBondContact O-N 3.28Å
33L92.3Very high89.6Confident79 Ų7961.4 Ų61.441%0.41432%0.32SS..Hα-helixtrans-64-37177.7-72.2171.8000112.3V29 V30 L31 Y35 A37 F283V29-L33 HydrophobicContact CG1-CD1 3.86Å; V29-L33 HydrophobicContact CG1-CG 4.37Å; V29-L33 WeakPolarHBondContact O-CB 3.33Å; V29-L33 VanDerWaalsContact O-CG 3.31Å; V29-L33 WeakPolarHBondContact O-CG 3.44Å; V29-L33 PolarHBondContact O-N 3.42Å; V30-L33 PolarHBondContact O-N 3.3Å; L31-L33 PolarHBondContact O-N 3.37Å; L33-Y35 PolarHBondContact O-N 2.85Å; L33-A37 WeakPolarHBondContact O-CB 3.1Å; L33-A37 PolarHBondContact O-N 2.9Å; L33-F283 HydrophobicContact CB-CE1 3.92Å; L33-F283 HydrophobicContact CB-CE2 4.14Å; L33-F283 HydrophobicContact CB-CZ 3.6Å; L33-F283 HydrophobicContact CD1-CE1 4.03Å; L33-F283 HydrophobicContact CD1-CZ 4.16Å; L33-F283 HydrophobicContact CG-CZ 4.45Å
34T92.8Very high90.1Very high13 Ų1371.1 Ų71.18%0.0836%0.357CS..Hα-helixtrans-66.8-35.7-179.1-550000111.7V30 L31 C32 P38 L276 I280 F283V30-T34 VanDerWaalsContact O-CB 3.31Å; V30-T34 WeakPolarHBondContact O-CB 3.26Å; V30-T34 PolarHBondContact O-N 3.48Å; V30-T34 PolarHBondContact O-OG1 2.86Å; L31-T34 PolarHBondContact O-N 3.04Å; L31-T34 VanDerWaalsContact O-N 3.16Å; C32-T34 VanDerWaalsContact C-N 3.32Å; C32-T34 PolarHBondContact O-N 3.16Å; T34-P38 WeakPolarHBondContact O-CD 3.34Å; T34-P38 WeakPolarHBondContact O-CG 3.39Å; T34-L276 WeakPolarHBondContact O-CD1 3.31Å; T34-I280 HydrophobicContact CG2-CG1 3.81Å; T34-F283 WeakPolarHBondContact OG1-CB 3.37Å; T34-F283 WeakPolarHBondContact OG1-CG 3.29Å
35Y92.8Very high90.2Very high113 Ų11373.2 Ų73.244%0.44337%0.373SS..Hα-helixtrans-102-35.2-176.4-68.5-73.4000114.8L31 C32 L33 Y272 L276L31-Y35 HydrophobicContact CD2-CD2 3.8Å; L31-Y35 HydrophobicContact CD2-CE2 4.16Å; L31-Y35 HydrophobicContact CG-CD2 4Å; L31-Y35 HydrophobicContact CG-CE2 3.98Å; L31-Y35 VanDerWaalsContact O-CD2 3.28Å; L31-Y35 WeakPolarHBondContact O-CD2 3.36Å; L31-Y35 PolarHBondContact O-N 3.28Å; L31-Y35 VanDerWaalsContact O-N 3.09Å; C32-Y35 PolarHBondContact O-N 3.42Å; L33-Y35 PolarHBondContact O-N 2.85Å; Y35-Y272 PolarHBondContact O-OH 3.22Å; Y35-L276 HydrophobicContact CD1-CD1 3.76Å; Y35-L276 HydrophobicContact CE1-CD1 4.09Å; Y35-L276 HydrophobicContact CE1-CD2 4.46Å
36I93.1Very high89.8Confident92 Ų9274.9 Ų74.947%0.47238%0.378SS..Hα-helixtrans-83.5-39.3-176.2-57.8172.6000111.1C32 L39 L40C32-I36 HydrophobicContact CB-CD1 4.04Å; C32-I36 WeakPolarHBondContact O-CA 3.25Å; C32-I36 WeakPolarHBondContact O-CB 3.39Å; C32-I36 VanDerWaalsContact O-CG1 3.29Å; C32-I36 WeakPolarHBondContact O-CG1 3.36Å; C32-I36 PolarHBondContact O-N 3.28Å; I36-L39 WeakPolarHBondContact O-CB 3.15Å; I36-L39 PolarHBondContact O-N 3.49Å; I36-L39 VanDerWaalsContact O-N 3.17Å; I36-L40 HydrophobicContact CG2-CD1 4.1Å; I36-L40 HydrophobicContact CG2-CG 4.35Å; I36-L40 PolarHBondContact O-N 3.23Å
37A91.3Very high89.3Confident22 Ų2274.3 Ų74.318%0.18238%0.383CS..Hα-helixtrans-64.2-41.1-178.600000112.9L33 L39 L40 V41 F279L33-A37 WeakPolarHBondContact O-CB 3.1Å; L33-A37 PolarHBondContact O-N 2.9Å; A37-L39 VanDerWaalsContact C-N 3.28Å; A37-L39 PolarHBondContact O-N 3.08Å; A37-L40 PolarHBondContact O-N 3.1Å; A37-V41 VanDerWaalsContact O-CG2 3.31Å; A37-V41 WeakPolarHBondContact O-CG2 3.23Å; A37-V41 PolarHBondContact O-N 3.33Å; A37-F279 HydrophobicContact CB-CD1 4.01Å; A37-F279 HydrophobicContact CB-CE1 3.4Å; A37-F279 VanDerWaalsContact CB-CE1 3.4Å; A37-F279 HydrophobicContact CB-CZ 4.11Å
38P92.3Very high89.2Confident0 Ų073.1 Ų73.10%038%0.375CS..Hα-helixtrans-59.2-37.8171.7-25.133.2000113.4T34 V41 A42 Y272 V275 L276 F279T34-P38 WeakPolarHBondContact O-CD 3.34Å; T34-P38 WeakPolarHBondContact O-CG 3.39Å; P38-V41 PolarHBondContact O-N 3.46Å; P38-A42 VanDerWaalsContact O-CB 3.25Å; P38-A42 WeakPolarHBondContact O-CB 3.49Å; P38-A42 PolarHBondContact O-N 3.32Å; P38-Y272 HydrophobicContact CB-CD2 4.3Å; P38-Y272 HydrophobicContact CB-CE2 3.98Å; P38-V275 HydrophobicContact CB-CB 4.19Å; P38-V275 HydrophobicContact CB-CG1 3.82Å; P38-L276 HydrophobicContact CB-CB 4.36Å; P38-L276 HydrophobicContact CG-CD1 4.03Å; P38-F279 HydrophobicContact CB-CD2 4.46Å; P38-F279 HydrophobicContact CG-CB 3.67Å; P38-F279 HydrophobicContact CG-CD1 3.82Å; P38-F279 HydrophobicContact CG-CD2 3.82Å; P38-F279 HydrophobicContact CG-CE1 4.48Å; P38-F279 HydrophobicContact CG-CE2 4.41Å; P38-F279 HydrophobicContact CG-CG 3.49Å; P38-F279 VanDerWaalsContact CG-CG 3.49Å
39L91Very high89Confident80 Ų8075.9 Ų75.942%0.41938%0.376SS..Hα-helixtrans-64-45.4177.6-171.7106.5000110.6I36 A37 A42 Y43 F48 Y272I36-L39 WeakPolarHBondContact O-CB 3.15Å; I36-L39 PolarHBondContact O-N 3.49Å; I36-L39 VanDerWaalsContact O-N 3.17Å; A37-L39 VanDerWaalsContact C-N 3.28Å; A37-L39 PolarHBondContact O-N 3.08Å; L39-A42 PolarHBondContact O-N 2.95Å; L39-Y43 WeakPolarHBondContact O-CB 3.46Å; L39-Y43 PolarHBondContact O-N 3.02Å; L39-F48 HydrophobicContact CD1-CZ 4.5Å; L39-Y272 HydrophobicContact CB-CD2 4.25Å; L39-Y272 HydrophobicContact CB-CE2 3.92Å; L39-Y272 HydrophobicContact CD1-CD2 4.26Å; L39-Y272 HydrophobicContact CD1-CE2 4.2Å
40L91.6Very high88.7Confident102 Ų10274.4 Ų74.453%0.53437%0.366SS..Hα-helixtrans-63.5-42.1176.8-72.4171.8000112I36 A37 Y43 R44I36-L40 HydrophobicContact CG2-CD1 4.1Å; I36-L40 HydrophobicContact CG2-CG 4.35Å; I36-L40 PolarHBondContact O-N 3.23Å; A37-L40 PolarHBondContact O-N 3.1Å; L40-Y43 PolarHBondContact O-N 3.4Å; L40-R44 VanDerWaalsContact O-CB 3.31Å; L40-R44 WeakPolarHBondContact O-CB 3.2Å; L40-R44 VanDerWaalsContact O-CG 3.27Å; L40-R44 WeakPolarHBondContact O-CG 3.31Å; L40-R44 PolarHBondContact O-N 3.41Å
41V91.6Very high88.6Confident67 Ų6782 Ų8241%0.40640%0.398SS..Hα-helixtrans-62.8-51.2176.5171.50000110.3A37 P38 Y43 R44 S45 V275 F279A37-V41 VanDerWaalsContact O-CG2 3.31Å; A37-V41 WeakPolarHBondContact O-CG2 3.23Å; A37-V41 PolarHBondContact O-N 3.33Å; P38-V41 PolarHBondContact O-N 3.46Å; V41-Y43 VanDerWaalsContact C-N 3.31Å; V41-Y43 PolarHBondContact O-N 3.27Å; V41-R44 PolarHBondContact O-N 3.35Å; V41-R44 VanDerWaalsContact O-N 3.16Å; V41-S45 WeakPolarHBondContact O-CB 3.37Å; V41-S45 PolarHBondContact O-N 2.84Å; V41-S45 PolarHBondContact O-OG 3.35Å; V41-V275 HydrophobicContact CB-CG1 4.27Å; V41-V275 HydrophobicContact CG1-CG1 4.09Å; V41-F279 HydrophobicContact CG2-CZ 4.33Å
42A90.1Very high88.6Confident0 Ų085.8 Ų85.80%041%0.406CS..Hα-helixtrans-61.4-38.417900000112.3P38 L39 S45 F48 Q271P38-A42 VanDerWaalsContact O-CB 3.25Å; P38-A42 WeakPolarHBondContact O-CB 3.49Å; P38-A42 PolarHBondContact O-N 3.32Å; L39-A42 PolarHBondContact O-N 2.95Å; A42-S45 WeakPolarHBondContact CA-OG 3.32Å; A42-S45 PolarHBondContact O-OG 3.15Å; A42-F48 HydrophobicContact CB-CD2 4.19Å; A42-Q271 HydrophobicContact CB-CB 4.48Å
43Y88.2Confident88.7Confident151 Ų15185.2 Ų85.259%0.59240%0.397SS*.Hα-helixtrans-67.1-39.3175.8-174.1-99.9000112.2L39 L40 V41 F48L39-Y43 WeakPolarHBondContact O-CB 3.46Å; L39-Y43 PolarHBondContact O-N 3.02Å; L40-Y43 PolarHBondContact O-N 3.4Å; V41-Y43 VanDerWaalsContact C-N 3.31Å; V41-Y43 PolarHBondContact O-N 3.27Å; Y43-F48 AromaticContact CD2-CD1 3.9Å; Y43-F48 HydrophobicContact CD2-CD1 3.9Å; Y43-F48 HydrophobicContact CD2-CG 4.42Å
44R89.4Confident88.8Confident205 Ų20585.9 Ų85.977%0.77441%0.405SS*.Hα-helixtrans-75.4-28.7178.3-76.6-77.7-177.989.7-1.3113.3L40 V41 Q46L40-R44 VanDerWaalsContact O-CB 3.31Å; L40-R44 WeakPolarHBondContact O-CB 3.2Å; L40-R44 VanDerWaalsContact O-CG 3.27Å; L40-R44 WeakPolarHBondContact O-CG 3.31Å; L40-R44 PolarHBondContact O-N 3.41Å; V41-R44 PolarHBondContact O-N 3.35Å; V41-R44 VanDerWaalsContact O-N 3.16Å; R44-Q46 PolarHBondContact O-N 2.84Å; R44-Q46 VanDerWaalsContact O-N 3.09Å
45S84.6Confident88.9Confident74 Ų7486.2 Ų86.252%0.51740%0.404SS..THydrogen-bonded Turntrans-73.55.5-176.6620000114.7V41 A42V41-S45 WeakPolarHBondContact O-CB 3.37Å; V41-S45 PolarHBondContact O-N 2.84Å; V41-S45 PolarHBondContact O-OG 3.35Å; A42-S45 WeakPolarHBondContact CA-OG 3.32Å; A42-S45 PolarHBondContact O-OG 3.15Å
46Q77.3Confident89.1Confident155 Ų15585.8 Ų85.872%0.72441%0.407SS*.SBendtrans63.5152.3-175.4-54.7-69.1-19.600113.2R44 Q271R44-Q46 PolarHBondContact O-N 2.84Å; R44-Q46 VanDerWaalsContact O-N 3.09Å; Q46-Q271 PolarHBondContact O-NE2 2.84Å
47G78.6Confident89.2Confident29 Ų2982.2 Ų82.230%0.29939%0.388SS..  trans89.1-7.3179.100000116W49 I50G47-W49 VanDerWaalsContact C-N 3.32Å; G47-W49 PolarHBondContact O-N 3.28Å; G47-I50 WeakPolarHBondContact O-CG1 3.2Å
48F83.5Confident89.3Confident41 Ų4182.5 Ų82.518%0.1839%0.386CS..SBendtrans-62-41.2172.9-172.1-95000111.8L39 A42 Y43 A268 Q271L39-F48 HydrophobicContact CD1-CZ 4.5Å; A42-F48 HydrophobicContact CB-CD2 4.19Å; Y43-F48 AromaticContact CD2-CD1 3.9Å; Y43-F48 HydrophobicContact CD2-CD1 3.9Å; Y43-F48 HydrophobicContact CD2-CG 4.42Å; F48-A268 HydrophobicContact CD1-CB 4.47Å; F48-A268 HydrophobicContact CD2-CB 3.87Å; F48-A268 HydrophobicContact CE1-CB 4.31Å; F48-A268 HydrophobicContact CE2-CB 3.69Å; F48-A268 HydrophobicContact CG-CB 4.26Å; F48-A268 HydrophobicContact CZ-CB 3.92Å; F48-Q271 VanDerWaalsContact CA-OE1 3.29Å; F48-Q271 VanDerWaalsContact N-OE1 3.09Å
49W84Confident89.4Confident147 Ų14782.6 Ų82.656%0.55739%0.386SS*.SBendtrans-118.884.7176.3-160.5-92.4000111.3G47 K51 T264G47-W49 VanDerWaalsContact C-N 3.32Å; G47-W49 PolarHBondContact O-N 3.28Å; W49-K51 PolarHBondContact O-N 3.05Å; W49-T264 HydrophobicContact CD2-CG2 3.83Å; W49-T264 HydrophobicContact CE3-CG2 3.64Å; W49-T264 HydrophobicContact CG-CG2 4.36Å; W49-T264 HydrophobicContact CH2-CG2 4.43Å; W49-T264 HydrophobicContact CZ3-CG2 3.97Å
50I85.4Confident89.7Confident36 Ų3680.4 Ų80.419%0.18538%0.376CS..  trans-70.3119.1-178.3-51.9176.9000109.6G47 R52 K53 P259 F267G47-I50 WeakPolarHBondContact O-CG1 3.2Å; I50-R52 VanDerWaalsContact CG2-O 3.29Å; I50-R52 WeakPolarHBondContact CG2-O 3.08Å; I50-K53 VanDerWaalsContact CD1-CE 3.47Å; I50-K53 HydrophobicContact CG2-CD 4.35Å; I50-K53 HydrophobicContact CG2-CG 3.68Å; I50-P259 HydrophobicContact CB-CG 4.29Å; I50-P259 HydrophobicContact CG2-CG 4.25Å; I50-P259 WeakPolarHBondContact O-CG 3.43Å; I50-F267 HydrophobicContact CD1-CB 3.8Å; I50-F267 HydrophobicContact CD1-CD1 4.37Å; I50-F267 HydrophobicContact CD1-CD2 4.07Å; I50-F267 HydrophobicContact CD1-CG 3.8Å
51K86.9Confident89.9Confident162 Ų16275.6 Ų75.670%0.70435%0.351SS*.  trans-92.5-25.7-179.5-64.6-174.9-178.5179.40113.8W49W49-K51 PolarHBondContact O-N 3.05Å
52R92.1Very high90.1Very high183 Ų18380.1 Ų80.169%0.69136%0.361SS*.  trans-144.4140.3-175.5-60.4-177.4-174.7175-0.1109.6I50 P182 Y257I50-R52 VanDerWaalsContact CG2-O 3.29Å; I50-R52 WeakPolarHBondContact CG2-O 3.08Å; R52-P182 HydrophobicContact CG-CG 4.32Å; R52-Y257 WeakPolarHBondContact CA-O 3.48Å
53K93.1Very high90.4Very high39 Ų3980.5 Ų80.517%0.1736%0.362CS..EExtended strand (participates in β ladder)trans-137.8161.6169.5-76.4-166.4174.7-171.60110.3I50 S256 Y257 E263 F267I50-K53 VanDerWaalsContact CD1-CE 3.47Å; I50-K53 HydrophobicContact CG2-CD 4.35Å; I50-K53 HydrophobicContact CG2-CG 3.68Å; K53-S256 CarbonylContact O-C 3.58Å; K53-S256 VanDerWaalsContact O-CA 3.3Å; K53-S256 WeakPolarHBondContact O-CA 3.45Å; K53-Y257 HydrophobicContact CB-CD1 4.07Å; K53-Y257 HydrophobicContact CB-CE1 3.5Å; K53-Y257 VanDerWaalsContact CB-CE1 3.5Å; K53-Y257 PolarHBondContact N-O 3.26Å; K53-Y257 VanDerWaalsContact O-CD1 3.23Å; K53-Y257 WeakPolarHBondContact O-CD1 3.36Å; K53-Y257 PolarHBondContact O-N 2.97Å; K53-E263 WeakPolarHBondContact CD-OE1 3.44Å; K53-E263 WeakPolarHBondContact CE-OE1 3.34Å; K53-E263 IonicContact NZ-OE1 2.92Å; K53-E263 PolarHBondContact NZ-OE1 2.95Å; K53-F267 VanDerWaalsContact NZ-CD2 3.28Å
54T95.2Very high90.7Very high93 Ų9376 Ų7657%0.57135%0.347SS*.EExtended strand (participates in β ladder)trans-113.6154.3175.450.50000110.6I254 I255T54-I254 HydrophobicContact CG2-CG2 3.88Å; T54-I255 CarbonylContact C-O 3.55Å; T54-I255 VanDerWaalsContact CA-O 3.24Å; T54-I255 WeakPolarHBondContact CA-O 3.26Å
55Y95.4Very high90.9Very high19 Ų1972.9 Ų72.98%0.07534%0.336CS..EExtended strand (participates in β ladder)trans-144.2158.4166.667.9-82.1000108.6E57 R146 K147 I255 Y257Y55-E57 HydrophobicContact CD2-CB 4.08Å; Y55-E57 HydrophobicContact CE2-CB 3.73Å; Y55-E57 WeakPolarHBondContact CE2-OE2 3.32Å; Y55-R146 HydrophobicContact CD2-CB 4.37Å; Y55-R146 HydrophobicContact CD2-CG 4.4Å; Y55-R146 HydrophobicContact CE2-CB 3.99Å; Y55-R146 HydrophobicContact CE2-CG 4.49Å; Y55-K147 HydrophobicContact CD1-CG 4Å; Y55-K147 HydrophobicContact CD2-CG 4.39Å; Y55-K147 HydrophobicContact CE1-CB 4.06Å; Y55-K147 HydrophobicContact CE1-CG 3.83Å; Y55-K147 HydrophobicContact CE2-CG 4.2Å; Y55-K147 HydrophobicContact CG-CG 4.26Å; Y55-I255 HydrophobicContact CD1-CB 4.35Å; Y55-I255 WeakPolarHBondContact CD1-O 3.27Å; Y55-I255 HydrophobicContact CE1-CB 3.81Å; Y55-I255 HydrophobicContact CE1-CG2 3.81Å; Y55-I255 HydrophobicContact CE2-CB 4.24Å; Y55-I255 HydrophobicContact CE2-CD1 4.07Å; Y55-I255 PolarHBondContact N-O 3.16Å; Y55-I255 PolarHBondContact O-N 3.15Å; Y55-Y257 AromaticContact CD1-CD1 3.43Å; Y55-Y257 HydrophobicContact CD1-CD1 3.43Å; Y55-Y257 VanDerWaalsContact CD1-CD1 3.43Å; Y55-Y257 AromaticContact CD1-CE1 3.75Å; Y55-Y257 HydrophobicContact CD1-CE1 3.75Å; Y55-Y257 HydrophobicContact CD1-CG 4.25Å; Y55-Y257 AromaticContact CE1-CD1 3.89Å; Y55-Y257 HydrophobicContact CE1-CD1 3.89Å; Y55-Y257 HydrophobicContact CE1-CG 4.3Å
56E95.8Very high91.3Very high105 Ų10571.4 Ų71.449%0.49132%0.321SS..EExtended strand (participates in β ladder)trans-96.1134.6177.6-72.5174-17800110.3R146 L252 E253 I254E56-R146 PolarHBondContact O-NH1 2.98Å; E56-L252 HydrophobicContact CB-CD1 4.33Å; E56-L252 HydrophobicContact CB-CD2 3.61Å; E56-L252 HydrophobicContact CB-CG 4.29Å; E56-L252 HydrophobicContact CG-CD2 3.66Å; E56-E253 CarbonylContact C-O 3.58Å; E56-E253 VanDerWaalsContact CA-O 3.26Å; E56-E253 WeakPolarHBondContact CA-O 3.43Å; E56-I254 HydrophobicContact CG-CG1 4.11Å
57E94.9Very high92.1Very high16 Ų1664.2 Ų64.28%0.07529%0.287CS..EExtended strand (participates in β ladder)trans-150.8134.2172.2177169.9-158.600109.6Y55 L144 F145 R146 E253 I255Y55-E57 HydrophobicContact CD2-CB 4.08Å; Y55-E57 HydrophobicContact CE2-CB 3.73Å; Y55-E57 WeakPolarHBondContact CE2-OE2 3.32Å; E57-L144 HydrophobicContact CG-CD2 4.11Å; E57-F145 PolarHBondContact OE1-N 2.93Å; E57-R146 HydrophobicContact CB-CB 4.42Å; E57-R146 VanDerWaalsContact CD-CB 3.43Å; E57-R146 HydrophobicContact CG-CB 4.22Å; E57-R146 PolarHBondContact OE1-N 3.02Å; E57-R146 VanDerWaalsContact OE2-CB 3.23Å; E57-R146 WeakPolarHBondContact OE2-CB 3.45Å; E57-R146 PolarHBondContact OE2-N 2.86Å; E57-E253 PolarHBondContact N-O 3.4Å; E57-E253 PolarHBondContact O-N 3.46Å; E57-I255 HydrophobicContact CB-CD1 4.03Å
58Q94.6Very high92.9Very high29 Ų2962.9 Ų62.914%0.13627%0.273CS..  trans-82.7119.2165.9-175.4177.42.500109D111 K113 D115Q58-D111 PolarHBondContact OE1-OD2 3.38Å; Q58-K113 HydrophobicContact CB-CD 4.31Å; Q58-K113 HydrophobicContact CG-CD 4.13Å; Q58-K113 PolarHBondContact O-NZ 3Å; Q58-D115 PolarHBondContact NE2-OD1 3.17Å
59P95Very high93.5Very high2 Ų261.1 Ų61.11%0.01327%0.266CS..  trans-69.6151.8-179.730.8-36.4000111.8V61 Y142 L144 P251 E253P59-V61 HydrophobicContact CB-CG2 4.02Å; P59-V61 HydrophobicContact CG-CG2 3.86Å; P59-V61 PolarHBondContact O-N 3.18Å; P59-Y142 HydrophobicContact CB-CD1 4.36Å; P59-Y142 HydrophobicContact CB-CD2 4.23Å; P59-Y142 HydrophobicContact CB-CE1 3.7Å; P59-Y142 HydrophobicContact CB-CE2 3.55Å; P59-Y142 WeakPolarHBondContact CB-OH 3.31Å; P59-Y142 HydrophobicContact CG-CE2 3.62Å; P59-Y142 WeakPolarHBondContact CG-OH 3.36Å; P59-L144 HydrophobicContact CB-CD2 3.83Å; P59-P251 WeakPolarHBondContact CD-O 3.38Å; P59-E253 HydrophobicContact CG-CG 4.45Å
60V95.8Very high93.9Very high34 Ų3456.1 Ų56.121%0.20625%0.248CC..EExtended strand (participates in β ladder)trans-87.6105.31661800000107.1K113 Q143 F145V60-K113 HydrophobicContact CG2-CD 4.34Å; V60-K113 HydrophobicContact CG2-CG 4.28Å; V60-Q143 HydrophobicContact CB-CB 4.26Å; V60-Q143 PolarHBondContact N-O 3.48Å; V60-Q143 PolarHBondContact O-N 2.9Å; V60-F145 HydrophobicContact CB-CE2 4.31Å; V60-F145 HydrophobicContact CG2-CD2 4.29Å; V60-F145 HydrophobicContact CG2-CE2 3.98Å
61V96.1Very high94.3Very high1 Ų154.4 Ų54.41%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-106.3137.3178.2-172.40000109P59 F140 S141 Y142 L175 Y250P59-V61 HydrophobicContact CB-CG2 4.02Å; P59-V61 HydrophobicContact CG-CG2 3.86Å; P59-V61 PolarHBondContact O-N 3.18Å; V61-F140 HydrophobicContact CG1-CB 3.84Å; V61-F140 HydrophobicContact CG1-CD1 3.86Å; V61-F140 HydrophobicContact CG1-CG 4.12Å; V61-S141 CarbonylContact C-O 3.6Å; V61-S141 VanDerWaalsContact CA-O 3.31Å; V61-S141 WeakPolarHBondContact CA-O 3.3Å; V61-Y142 HydrophobicContact CG2-CD2 3.67Å; V61-Y142 HydrophobicContact CG2-CE2 3.9Å; V61-L175 HydrophobicContact CG1-CD2 3.87Å; V61-Y250 HydrophobicContact CB-CD1 4.04Å; V61-Y250 HydrophobicContact CB-CD2 4.02Å; V61-Y250 HydrophobicContact CB-CE1 4.1Å; V61-Y250 HydrophobicContact CB-CE2 4.05Å; V61-Y250 HydrophobicContact CB-CG 3.99Å; V61-Y250 HydrophobicContact CG1-CD1 4Å; V61-Y250 HydrophobicContact CG1-CE1 3.62Å; V61-Y250 HydrophobicContact CG1-CE2 4.15Å; V61-Y250 HydrophobicContact CG1-CG 4.43Å; V61-Y250 HydrophobicContact CG2-CD1 4.2Å; V61-Y250 HydrophobicContact CG2-CG 4.21Å
62R95.7Very high94.6Very high162 Ų16247.8 Ų47.861%0.61122%0.215SC*.EExtended strand (participates in β ladder)trans-135.7130.8170.1-69.3-170176-175.8-1.7110.2Q64 L114 F140 S141R62-Q64 PolarHBondContact O-N 3.46Å; R62-L114 HydrophobicContact CG-CD1 4.24Å; R62-F140 CarbonylContact O-C 3.6Å; R62-F140 WeakPolarHBondContact O-CA 3.3Å; R62-S141 PolarHBondContact N-O 3.29Å; R62-S141 PolarHBondContact O-N 2.91Å
63F96Very high94.5Very high8 Ų840 Ų404%0.03519%0.188CC..EExtended strand (participates in β ladder)trans-66.1130.5172.2-177.9-122.7000110.7Y65 T67 V103 E105 L117 F119 L138 T139 F140F63-Y65 VanDerWaalsContact C-N 3.28Å; F63-Y65 AromaticContact CD1-CD1 3.8Å; F63-Y65 HydrophobicContact CD1-CD1 3.8Å; F63-Y65 HydrophobicContact CD1-CD2 4.49Å; F63-Y65 HydrophobicContact CD1-CE1 4.06Å; F63-Y65 HydrophobicContact CD1-CG 4.04Å; F63-Y65 VanDerWaalsContact CE1-CA 3.43Å; F63-Y65 AromaticContact CE1-CD1 3.8Å; F63-Y65 HydrophobicContact CE1-CD1 3.8Å; F63-Y65 HydrophobicContact CE1-CE1 4.41Å; F63-Y65 HydrophobicContact CE1-CG 4.15Å; F63-Y65 PolarHBondContact O-N 3.42Å; F63-T67 HydrophobicContact CE2-CG2 4.2Å; F63-T67 HydrophobicContact CZ-CG2 3.5Å; F63-V103 HydrophobicContact CD1-CG1 3.74Å; F63-V103 HydrophobicContact CE1-CG1 4.01Å; F63-V103 HydrophobicContact CE1-CG2 4.03Å; F63-E105 VanDerWaalsContact CB-OE1 3.29Å; F63-E105 WeakPolarHBondContact CB-OE1 3.43Å; F63-E105 PolarHBondContact N-OE1 3.3Å; F63-L117 HydrophobicContact CB-CD1 4.28Å; F63-L117 HydrophobicContact CB-CD2 4.48Å; F63-L117 HydrophobicContact CD1-CD1 4.49Å; F63-L117 HydrophobicContact CD2-CD2 4.25Å; F63-L117 HydrophobicContact CG-CD1 4.4Å; F63-L117 HydrophobicContact CG-CD2 4.31Å; F63-F119 HydrophobicContact CZ-CD2 4.41Å; F63-F119 HydrophobicContact CZ-CE2 4.39Å; F63-L138 HydrophobicContact CE2-CB 4.05Å; F63-L138 HydrophobicContact CE2-CD2 4.03Å; F63-L138 HydrophobicContact CZ-CD2 4.21Å; F63-T139 VanDerWaalsContact CD2-O 3.26Å; F63-T139 WeakPolarHBondContact CD2-O 3.24Å; F63-F140 HydrophobicContact CB-CD1 4.15Å; F63-F140 HydrophobicContact CB-CE1 4.22Å; F63-F140 HydrophobicContact CD2-CD1 4.02Å; F63-F140 AromaticContact CD2-CE1 3.73Å; F63-F140 HydrophobicContact CD2-CE1 3.73Å; F63-F140 HydrophobicContact CD2-CZ 4.19Å; F63-F140 HydrophobicContact CG-CE1 4.39Å
64Q94.4Very high94.2Very high56 Ų5639.3 Ų39.326%0.26219%0.188SC..EExtended strand (participates in β ladder)trans-88.15.4-177-71.1-170.3-10.400113.5R62 Q66 T139R62-Q64 PolarHBondContact O-N 3.46Å; Q64-Q66 HydrophobicContact CB-CG 4.02Å; Q64-Q66 PolarHBondContact O-N 2.94Å; Q64-Q66 VanDerWaalsContact O-N 3.16Å; Q64-T139 PolarHBondContact N-O 3.48Å; Q64-T139 VanDerWaalsContact N-O 3.15Å
65Y94Very high93.4Very high139 Ų13941.8 Ų41.855%0.54520%0.197SC..EExtended strand (participates in β ladder)trans5628.7-173.9-55-87.6000113F63 T84 V103F63-Y65 VanDerWaalsContact C-N 3.28Å; F63-Y65 AromaticContact CD1-CD1 3.8Å; F63-Y65 HydrophobicContact CD1-CD1 3.8Å; F63-Y65 HydrophobicContact CD1-CD2 4.49Å; F63-Y65 HydrophobicContact CD1-CE1 4.06Å; F63-Y65 HydrophobicContact CD1-CG 4.04Å; F63-Y65 VanDerWaalsContact CE1-CA 3.43Å; F63-Y65 AromaticContact CE1-CD1 3.8Å; F63-Y65 HydrophobicContact CE1-CD1 3.8Å; F63-Y65 HydrophobicContact CE1-CE1 4.41Å; F63-Y65 HydrophobicContact CE1-CG 4.15Å; F63-Y65 PolarHBondContact O-N 3.42Å; Y65-T84 VanDerWaalsContact O-CG2 3.27Å; Y65-T84 WeakPolarHBondContact O-CG2 3.33Å; Y65-V103 HydrophobicContact CD1-CG2 4.49Å; Y65-V103 HydrophobicContact CE1-CB 4.13Å; Y65-V103 HydrophobicContact CE1-CG1 3.95Å; Y65-V103 HydrophobicContact CE1-CG2 4.43Å
66Q93.9Very high92.6Very high44 Ų4449.6 Ų49.621%0.20623%0.234CC..EExtended strand (participates in β ladder)trans-107.8120.4170.8-35.8174.3-34.600109.3Q64 T84 F85 T139Q64-Q66 HydrophobicContact CB-CG 4.02Å; Q64-Q66 PolarHBondContact O-N 2.94Å; Q64-Q66 VanDerWaalsContact O-N 3.16Å; Q66-T84 VanDerWaalsContact CA-OG1 3.29Å; Q66-T84 WeakPolarHBondContact CA-OG1 3.23Å; Q66-F85 HydrophobicContact CB-CE1 4.45Å; Q66-F85 HydrophobicContact CB-CE2 4.36Å; Q66-F85 HydrophobicContact CB-CZ 3.8Å; Q66-F85 HydrophobicContact CG-CZ 4.33Å; Q66-T139 HydrophobicContact CB-CG2 4.35Å; Q66-T139 VanDerWaalsContact CB-OG1 3.24Å; Q66-T139 WeakPolarHBondContact CB-OG1 3.38Å; Q66-T139 WeakPolarHBondContact CG-OG1 3.35Å; Q66-T139 PolarHBondContact O-N 3.03Å; Q66-T139 PolarHBondContact OE1-OG1 2.86Å
67T94.6Very high91.9Very high3 Ų347.1 Ų47.12%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-133.3142.9-176.6580000110.1F63 W82 S83 T84 F119 L137 L138F63-T67 HydrophobicContact CE2-CG2 4.2Å; F63-T67 HydrophobicContact CZ-CG2 3.5Å; T67-W82 WeakPolarHBondContact OG1-CH2 3.43Å; T67-W82 WeakPolarHBondContact OG1-CZ3 2.98Å; T67-S83 CarbonylContact O-C 3.59Å; T67-S83 WeakPolarHBondContact O-CA 3.3Å; T67-S83 WeakPolarHBondContact O-CB 3.26Å; T67-T84 PolarHBondContact N-OG1 3.32Å; T67-T84 PolarHBondContact O-N 3.07Å; T67-T84 PolarHBondContact O-OG1 2.83Å; T67-T84 WeakPolarHBondContact OG1-CG2 3.4Å; T67-F119 HydrophobicContact CG2-CE2 3.84Å; T67-F119 HydrophobicContact CG2-CZ 4.07Å; T67-L137 WeakPolarHBondContact CA-O 3.33Å; T67-L138 HydrophobicContact CG2-CD2 3.46Å; T67-L138 VanDerWaalsContact CG2-CD2 3.46Å
68L94.6Very high91.7Very high1 Ų150.9 Ų50.91%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-134.3123.8171.4174.8167.8000106.9F70 L88 L137 I197 L209L68-F70 HydrophobicContact CD1-CE2 4.13Å; L68-F70 HydrophobicContact CD2-CD2 3.27Å; L68-F70 HydrophobicContact CD2-CE2 3.34Å; L68-F70 HydrophobicContact CG-CD2 4.2Å; L68-F70 HydrophobicContact CG-CE2 3.84Å; L68-L88 HydrophobicContact CD1-CD2 4.03Å; L68-L88 HydrophobicContact CG-CD2 4.39Å; L68-L137 HydrophobicContact CB-CB 4.27Å; L68-L137 HydrophobicContact CD2-CB 4.3Å; L68-L137 PolarHBondContact N-O 2.94Å; L68-L137 PolarHBondContact O-N 3.16Å; L68-I197 HydrophobicContact CD1-CD1 4.27Å; L68-L209 HydrophobicContact CD1-CD2 4.41Å; L68-L209 HydrophobicContact CD2-CD1 4.48Å; L68-L209 HydrophobicContact CD2-CD2 3.8Å; L68-L209 HydrophobicContact CD2-CG 4.39Å
69L95Very high91.5Very high5 Ų554.3 Ų54.33%0.02627%0.27CS..EExtended strand (participates in β ladder)trans-122.4127.1-177.9178.873.7000108.4A81 W82 L121 L123 I134 Q135 L136 L244L69-A81 CarbonylContact O-C 3.56Å; L69-A81 VanDerWaalsContact O-CA 3.26Å; L69-A81 WeakPolarHBondContact O-CA 3.42Å; L69-W82 HydrophobicContact CB-CE3 4.35Å; L69-W82 PolarHBondContact N-O 2.95Å; L69-W82 PolarHBondContact O-N 2.86Å; L69-L121 HydrophobicContact CD2-CD1 3.98Å; L69-L121 HydrophobicContact CD2-CD2 3.72Å; L69-L123 HydrophobicContact CD2-CD1 4.09Å; L69-L123 HydrophobicContact CD2-CD2 4.32Å; L69-I134 HydrophobicContact CD1-CG2 3.88Å; L69-Q135 WeakPolarHBondContact CA-O 3.26Å; L69-L136 HydrophobicContact CD1-CD1 4.11Å; L69-L244 HydrophobicContact CD1-CD1 4.22Å
70F94.3Very high91.5Very high41 Ų4154.4 Ų54.418%0.1827%0.27CS..EExtended strand (participates in β ladder)trans-121.5131.8165-77.1-85.6000108.8L68 Y79 A81 L92 I134 Q135 L209L68-F70 HydrophobicContact CD1-CE2 4.13Å; L68-F70 HydrophobicContact CD2-CD2 3.27Å; L68-F70 HydrophobicContact CD2-CE2 3.34Å; L68-F70 HydrophobicContact CG-CD2 4.2Å; L68-F70 HydrophobicContact CG-CE2 3.84Å; F70-Y79 HydrophobicContact CD1-CD2 4.17Å; F70-Y79 HydrophobicContact CE1-CD2 4.35Å; F70-Y79 HydrophobicContact CE1-CE2 4.3Å; F70-A81 HydrophobicContact CD1-CB 3.4Å; F70-A81 HydrophobicContact CE1-CB 3.4Å; F70-A81 VanDerWaalsContact CE1-CB 3.4Å; F70-A81 HydrophobicContact CG-CB 4.15Å; F70-A81 HydrophobicContact CZ-CB 4.17Å; F70-L92 HydrophobicContact CE1-CD2 4.41Å; F70-I134 CarbonylContact O-C 3.58Å; F70-I134 WeakPolarHBondContact O-CA 3.22Å; F70-Q135 HydrophobicContact CB-CB 4.27Å; F70-Q135 PolarHBondContact N-O 3.3Å; F70-Q135 PolarHBondContact O-N 3.49Å; F70-L209 HydrophobicContact CD2-CD1 3.72Å; F70-L209 HydrophobicContact CD2-CG 4.37Å; F70-L209 HydrophobicContact CE2-CD1 4.12Å; F70-L209 HydrophobicContact CE2-CG 4.32Å
71A93.7Very high91.4Very high1 Ų152.8 Ų52.81%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-127.8121.5176.800000109.3Y79 V80 L123 V131 S133 I134A71-Y79 CarbonylContact O-C 3.57Å; A71-Y79 WeakPolarHBondContact O-CA 3.29Å; A71-V80 PolarHBondContact N-O 3.09Å; A71-V80 PolarHBondContact O-N 3.46Å; A71-V80 VanDerWaalsContact O-O 3.12Å; A71-L123 HydrophobicContact CB-CD2 3.99Å; A71-V131 HydrophobicContact CB-CG1 4.06Å; A71-V131 HydrophobicContact CB-CG2 4.29Å; A71-S133 CarbonylContact C-O 3.51Å; A71-S133 WeakPolarHBondContact CA-O 3.38Å; A71-I134 HydrophobicContact CB-CG1 4.45Å
72A93.4Very high91.3Very high23 Ų2354.2 Ų54.219%0.1927%0.266CS..EExtended strand (participates in β ladder)trans-80.1126.9174.100000109.8Y132 S133A72-Y132 PolarHBondContact O-N 3.33Å; A72-S133 WeakPolarHBondContact CB-OG 3.36Å; A72-S133 PolarHBondContact N-O 2.91Å
73T89.4Confident91.3Very high18 Ų1846.5 Ų46.511%0.1124%0.237CC..  trans-99.2-16.5-176.850.80000114D78 V80 E129 H130 Y132T73-D78 PolarHBondContact N-O 3.19Å; T73-D78 VanDerWaalsContact OG1-C 3.31Å; T73-D78 WeakPolarHBondContact OG1-CB 3.31Å; T73-D78 PolarHBondContact OG1-O 2.98Å; T73-V80 HydrophobicContact CG2-CB 4.1Å; T73-V80 HydrophobicContact CG2-CG2 3.64Å; T73-E129 HydrophobicContact CG2-CB 4.37Å; T73-H130 CarbonylContact C-O 3.47Å; T73-H130 VanDerWaalsContact C-O 3.24Å; T73-H130 WeakPolarHBondContact CA-O 3.16Å; T73-Y132 WeakPolarHBondContact O-CE2 3.37Å
74S86.8Confident91.1Very high25 Ų2548.7 Ų48.718%0.17525%0.251CS..  trans-143.2158177800000111.7Q76 G77 D78S74-Q76 PolarHBondContact O-N 3.45Å; S74-Q76 PolarHBondContact OG-N 3.37Å; S74-G77 PolarHBondContact O-N 3.33Å; S74-G77 PolarHBondContact OG-N 3.32Å; S74-D78 WeakPolarHBondContact CB-OD2 3.5Å; S74-D78 PolarHBondContact N-O 3.41Å; S74-D78 VanDerWaalsContact OG-CB 3.25Å; S74-D78 WeakPolarHBondContact OG-CB 3.1Å; S74-D78 PolarHBondContact OG-N 3.19Å; S74-D78 PolarHBondContact OG-OD2 2.9Å
75L78.4Confident91Very high145 Ų14546.7 Ų46.776%0.75924%0.241SC*.THydrogen-bonded Turntrans-71-12.1171.3-61.9174.1000112.3Y132L75-Y132 HydrophobicContact CD2-CD1 4.3Å
76Q79.3Confident90.8Very high184 Ų18443.8 Ų43.886%0.8624%0.24SC*.THydrogen-bonded Turntrans-89.1-4.8-179.5-63.7-179-6.200112.8S74S74-Q76 PolarHBondContact O-N 3.45Å; S74-Q76 PolarHBondContact OG-N 3.37Å
77G80.4Confident90.7Very high53 Ų5345 Ų4555%0.54625%0.245SC..SBendtrans1069.4175.400000114.9S74S74-G77 PolarHBondContact O-N 3.33Å; S74-G77 PolarHBondContact OG-N 3.32Å
78D89.8Confident90.5Very high94 Ų9445.4 Ų45.450%0.50325%0.247SC..  trans-68.6140.7170.6-55.8-51.2000109.7T73 S74T73-D78 PolarHBondContact N-O 3.19Å; T73-D78 VanDerWaalsContact OG1-C 3.31Å; T73-D78 WeakPolarHBondContact OG1-CB 3.31Å; T73-D78 PolarHBondContact OG1-O 2.98Å; S74-D78 WeakPolarHBondContact CB-OD2 3.5Å; S74-D78 PolarHBondContact N-O 3.41Å; S74-D78 VanDerWaalsContact OG-CB 3.25Å; S74-D78 WeakPolarHBondContact OG-CB 3.1Å; S74-D78 PolarHBondContact OG-N 3.19Å; S74-D78 PolarHBondContact OG-OD2 2.9Å
79Y92.2Very high90.3Very high101 Ų10146.7 Ų46.740%0.39625%0.254SS..EExtended strand (participates in β ladder)trans-142.3151.3-178.667.3-87000111.1F70 A71 A81 L92 N95F70-Y79 HydrophobicContact CD1-CD2 4.17Å; F70-Y79 HydrophobicContact CE1-CD2 4.35Å; F70-Y79 HydrophobicContact CE1-CE2 4.3Å; A71-Y79 CarbonylContact O-C 3.57Å; A71-Y79 WeakPolarHBondContact O-CA 3.29Å; Y79-A81 HydrophobicContact CD2-CB 4.3Å; Y79-L92 HydrophobicContact CE2-CD2 4.08Å; Y79-N95 HydrophobicContact CD2-CB 4.48Å; Y79-N95 HydrophobicContact CE2-CB 4.14Å; Y79-N95 WeakPolarHBondContact O-CB 3.5Å
80V93.8Very high90.1Very high4 Ų452.6 Ų52.62%0.02429%0.286CS..EExtended strand (participates in β ladder)trans-114139.7168.3163.80000107.4A71 T73 N95 R97 L123A71-V80 PolarHBondContact N-O 3.09Å; A71-V80 PolarHBondContact O-N 3.46Å; A71-V80 VanDerWaalsContact O-O 3.12Å; T73-V80 HydrophobicContact CG2-CB 4.1Å; T73-V80 HydrophobicContact CG2-CG2 3.64Å; V80-N95 WeakPolarHBondContact CA-O 3.4Å; V80-R97 HydrophobicContact CB-CG 4.25Å; V80-R97 HydrophobicContact CG1-CB 3.53Å; V80-R97 HydrophobicContact CG1-CG 3.27Å; V80-R97 HydrophobicContact CG2-CG 3.93Å; V80-L123 HydrophobicContact CG1-CD1 4.18Å; V80-L123 HydrophobicContact CG1-CD2 4.26Å
81A93.8Very high89.9Confident1 Ų154.5 Ų54.51%0.00830%0.296CS..EExtended strand (participates in β ladder)trans-138.6154.8178.500000111.5L69 F70 Y79 L92 N95 R97L69-A81 CarbonylContact O-C 3.56Å; L69-A81 VanDerWaalsContact O-CA 3.26Å; L69-A81 WeakPolarHBondContact O-CA 3.42Å; F70-A81 HydrophobicContact CD1-CB 3.4Å; F70-A81 HydrophobicContact CE1-CB 3.4Å; F70-A81 VanDerWaalsContact CE1-CB 3.4Å; F70-A81 HydrophobicContact CG-CB 4.15Å; F70-A81 HydrophobicContact CZ-CB 4.17Å; Y79-A81 HydrophobicContact CD2-CB 4.3Å; A81-L92 HydrophobicContact CB-CD1 3.6Å; A81-L92 HydrophobicContact CB-CD2 3.71Å; A81-L92 HydrophobicContact CB-CG 4.3Å; A81-N95 PolarHBondContact N-O 3.4Å; A81-R97 PolarHBondContact O-N 2.63Å
82W94.8Very high89.6Confident30 Ų3055.1 Ų55.111%0.11430%0.299CS..EExtended strand (participates in β ladder)trans-149.4143.7174.217672.1000110.1T67 L69 T84 R97 P99 V101 L121T67-W82 WeakPolarHBondContact OG1-CH2 3.43Å; T67-W82 WeakPolarHBondContact OG1-CZ3 2.98Å; L69-W82 HydrophobicContact CB-CE3 4.35Å; L69-W82 PolarHBondContact N-O 2.95Å; L69-W82 PolarHBondContact O-N 2.86Å; W82-T84 HydrophobicContact CH2-CG2 3.96Å; W82-T84 HydrophobicContact CZ2-CG2 4.2Å; W82-R97 VanDerWaalsContact CB-O 3.31Å; W82-R97 WeakPolarHBondContact CB-O 3.37Å; W82-P99 HydrophobicContact CB-CG 4.31Å; W82-P99 HydrophobicContact CD2-CG 3.38Å; W82-P99 HydrophobicContact CE3-CG 3.49Å; W82-P99 VanDerWaalsContact CE3-CG 3.49Å; W82-P99 HydrophobicContact CG-CG 3.73Å; W82-P99 HydrophobicContact CH2-CG 4.38Å; W82-P99 HydrophobicContact CZ2-CG 4.29Å; W82-P99 HydrophobicContact CZ3-CG 3.99Å; W82-V101 HydrophobicContact CH2-CG2 3.56Å; W82-V101 HydrophobicContact CZ2-CG2 4.22Å; W82-V101 HydrophobicContact CZ3-CG2 3.8Å; W82-L121 HydrophobicContact CE3-CD1 4.02Å; W82-L121 HydrophobicContact CZ3-CD1 3.83Å
83S94.1Very high89.4Confident1 Ų156.4 Ų56.41%0.00732%0.315CS..EExtended strand (participates in β ladder)trans-143.6166.6171.675.30000111.7T67 F85 N89T67-S83 CarbonylContact O-C 3.59Å; T67-S83 WeakPolarHBondContact O-CA 3.3Å; T67-S83 WeakPolarHBondContact O-CB 3.26Å; S83-F85 PolarHBondContact OG-N 3.44Å; S83-F85 VanDerWaalsContact OG-N 3.17Å; S83-F85 PolarHBondContact OG-O 2.79Å; S83-F85 VanDerWaalsContact OG-O 3.14Å; S83-N89 PolarHBondContact N-OD1 2.68Å; S83-N89 VanDerWaalsContact N-OD1 3.08Å; S83-N89 PolarHBondContact O-ND2 3.19Å; S83-N89 PolarHBondContact O-OD1 3.31Å; S83-N89 PolarHBondContact OG-OD1 3.2Å
84T92.8Very high89.2Confident54 Ų5461.1 Ų61.133%0.33134%0.344SS..SBendtrans-79.2-6.7167.451.40000112.4Y65 Q66 T67 W82Y65-T84 VanDerWaalsContact O-CG2 3.27Å; Y65-T84 WeakPolarHBondContact O-CG2 3.33Å; Q66-T84 VanDerWaalsContact CA-OG1 3.29Å; Q66-T84 WeakPolarHBondContact CA-OG1 3.23Å; T67-T84 PolarHBondContact N-OG1 3.32Å; T67-T84 PolarHBondContact O-N 3.07Å; T67-T84 PolarHBondContact O-OG1 2.83Å; T67-T84 WeakPolarHBondContact OG1-CG2 3.4Å; W82-T84 HydrophobicContact CH2-CG2 3.96Å; W82-T84 HydrophobicContact CZ2-CG2 4.2Å
85F92.4Very high89.4Confident13 Ų1362.3 Ų62.36%0.05735%0.348CS..  trans-89.8116.6-177.4-59.7-70.8000110.4Q66 S83 H87 L88 N89 I197 Y207Q66-F85 HydrophobicContact CB-CE1 4.45Å; Q66-F85 HydrophobicContact CB-CE2 4.36Å; Q66-F85 HydrophobicContact CB-CZ 3.8Å; Q66-F85 HydrophobicContact CG-CZ 4.33Å; S83-F85 PolarHBondContact OG-N 3.44Å; S83-F85 VanDerWaalsContact OG-N 3.17Å; S83-F85 PolarHBondContact OG-O 2.79Å; S83-F85 VanDerWaalsContact OG-O 3.14Å; F85-H87 VanDerWaalsContact C-N 3.34Å; F85-H87 PolarHBondContact O-N 2.87Å; F85-L88 HydrophobicContact CB-CB 4.22Å; F85-L88 PolarHBondContact O-N 3.33Å; F85-N89 PolarHBondContact O-N 3.24Å; F85-N89 VanDerWaalsContact O-N 3.14Å; F85-N89 PolarHBondContact O-ND2 3.44Å; F85-I197 HydrophobicContact CD2-CG2 4.11Å; F85-I197 HydrophobicContact CE1-CG2 4.36Å; F85-I197 HydrophobicContact CE2-CB 3.97Å; F85-I197 HydrophobicContact CE2-CD1 3.76Å; F85-I197 HydrophobicContact CE2-CG1 4.47Å; F85-I197 HydrophobicContact CE2-CG2 3.63Å; F85-I197 HydrophobicContact CZ-CB 3.77Å; F85-I197 HydrophobicContact CZ-CD1 4.21Å; F85-I197 HydrophobicContact CZ-CG2 3.76Å; F85-Y207 HydrophobicContact CB-CE1 3.95Å; F85-Y207 HydrophobicContact CD2-CE1 4.37Å; F85-Y207 HydrophobicContact CG-CE1 4.12Å
86P90.5Very high90.1Very high78 Ų7857.5 Ų57.551%0.50632%0.323SS..Hα-helixtrans-64.9-37.7-173.424.7-33.4000112.5L88 N89 N90P86-L88 PolarHBondContact O-N 2.85Å; P86-N89 PolarHBondContact O-N 3.46Å; P86-N90 VanDerWaalsContact O-CG 3.25Å; P86-N90 PolarHBondContact O-N 3.27Å; P86-N90 PolarHBondContact O-ND2 2.93Å
87H91Very high90.7Very high69 Ų6951 Ų5132%0.31929%0.291SS..Hα-helixtrans-64.4-41.3179.6-68.5-63.5000112.4F85 N90 M91 G199 L202F85-H87 VanDerWaalsContact C-N 3.34Å; F85-H87 PolarHBondContact O-N 2.87Å; H87-N90 PolarHBondContact O-N 3.34Å; H87-M91 WeakPolarHBondContact O-CG 3.19Å; H87-M91 PolarHBondContact O-N 3.28Å; H87-G199 PolarHBondContact CD2-O 3.47Å; H87-L202 WeakPolarHBondContact ND1-CD2 3.28Å
88L89.4Confident91.3Very high13 Ų1354.4 Ų54.47%0.06830%0.295CS..Hα-helixtrans-64.2-44.5174.4179.758.6000111.3L68 F85 P86 N90 M91 L92 Y207L68-L88 HydrophobicContact CD1-CD2 4.03Å; L68-L88 HydrophobicContact CG-CD2 4.39Å; F85-L88 HydrophobicContact CB-CB 4.22Å; F85-L88 PolarHBondContact O-N 3.33Å; P86-L88 PolarHBondContact O-N 2.85Å; L88-N90 VanDerWaalsContact C-N 3.27Å; L88-N90 PolarHBondContact O-N 3.29Å; L88-M91 HydrophobicContact CD1-CE 4.26Å; L88-M91 PolarHBondContact O-N 3.4Å; L88-L92 HydrophobicContact CD1-CG 4.38Å; L88-L92 HydrophobicContact CG-CD1 4.22Å; L88-L92 HydrophobicContact CG-CG 4.44Å; L88-L92 WeakPolarHBondContact O-CG 3.47Å; L88-L92 PolarHBondContact O-N 3.24Å; L88-Y207 HydrophobicContact CB-CD1 3.83Å; L88-Y207 HydrophobicContact CB-CD2 4.41Å; L88-Y207 HydrophobicContact CB-CE1 3.9Å; L88-Y207 HydrophobicContact CB-CE2 4.48Å; L88-Y207 HydrophobicContact CB-CG 4.09Å; L88-Y207 HydrophobicContact CD1-CD1 4.36Å; L88-Y207 HydrophobicContact CD1-CD2 4.3Å; L88-Y207 HydrophobicContact CD1-CG 3.89Å; L88-Y207 HydrophobicContact CD2-CD1 3.81Å; L88-Y207 HydrophobicContact CD2-CG 4.11Å; L88-Y207 HydrophobicContact CG-CD1 4.22Å; L88-Y207 HydrophobicContact CG-CG 4.25Å
89N91.9Very high91.6Very high28 Ų2850.5 Ų50.515%0.1528%0.275CS..Hα-helixtrans-60.4-37.3178.7-66.1-15.2000112.6S83 F85 P86 M91 L92 L96S83-N89 PolarHBondContact N-OD1 2.68Å; S83-N89 VanDerWaalsContact N-OD1 3.08Å; S83-N89 PolarHBondContact O-ND2 3.19Å; S83-N89 PolarHBondContact O-OD1 3.31Å; S83-N89 PolarHBondContact OG-OD1 3.2Å; F85-N89 PolarHBondContact O-N 3.24Å; F85-N89 VanDerWaalsContact O-N 3.14Å; F85-N89 PolarHBondContact O-ND2 3.44Å; P86-N89 PolarHBondContact O-N 3.46Å; N89-M91 VanDerWaalsContact C-N 3.33Å; N89-M91 PolarHBondContact O-N 3.23Å; N89-L92 PolarHBondContact O-N 3.4Å; N89-L96 HydrophobicContact CB-CD1 4Å; N89-L96 HydrophobicContact CB-CD2 4.14Å
90N90.7Very high91.7Very high129 Ų12948.8 Ų48.869%0.6928%0.281SS*.Hα-helixtrans-66.5-34.6175.1-68.1-18.6000112.4P86 H87 L88P86-N90 VanDerWaalsContact O-CG 3.25Å; P86-N90 PolarHBondContact O-N 3.27Å; P86-N90 PolarHBondContact O-ND2 2.93Å; H87-N90 PolarHBondContact O-N 3.34Å; L88-N90 VanDerWaalsContact C-N 3.27Å; L88-N90 PolarHBondContact O-N 3.29Å
91M89.4Confident91.8Very high80 Ų8051.3 Ų51.339%0.39430%0.297SS..Hα-helixtrans-73.8-26.1176.3-68.8-174-73.100113.1H87 L88 N89 G93 A204 Y207H87-M91 WeakPolarHBondContact O-CG 3.19Å; H87-M91 PolarHBondContact O-N 3.28Å; L88-M91 HydrophobicContact CD1-CE 4.26Å; L88-M91 PolarHBondContact O-N 3.4Å; N89-M91 VanDerWaalsContact C-N 3.33Å; N89-M91 PolarHBondContact O-N 3.23Å; M91-G93 VanDerWaalsContact C-N 3.35Å; M91-A204 HydrophobicContact SD-CB 4.13Å; M91-Y207 HydrophobicContact CE-CD2 3.52Å; M91-Y207 HydrophobicContact CE-CE2 3.54Å
92L87.7Confident91.9Very high14 Ų1454.4 Ų54.47%0.07332%0.319CS..Hα-helixtrans-73-23.3-179-73.1171.3000113.8F70 Y79 A81 L88 N89 T94 N95 L96F70-L92 HydrophobicContact CE1-CD2 4.41Å; Y79-L92 HydrophobicContact CE2-CD2 4.08Å; A81-L92 HydrophobicContact CB-CD1 3.6Å; A81-L92 HydrophobicContact CB-CD2 3.71Å; A81-L92 HydrophobicContact CB-CG 4.3Å; L88-L92 HydrophobicContact CD1-CG 4.38Å; L88-L92 HydrophobicContact CG-CD1 4.22Å; L88-L92 HydrophobicContact CG-CG 4.44Å; L88-L92 WeakPolarHBondContact O-CG 3.47Å; L88-L92 PolarHBondContact O-N 3.24Å; N89-L92 PolarHBondContact O-N 3.4Å; L92-T94 PolarHBondContact O-N 3.29Å; L92-T94 VanDerWaalsContact O-N 3.08Å; L92-N95 PolarHBondContact O-N 3.38Å; L92-L96 HydrophobicContact CB-CB 4.21Å; L92-L96 HydrophobicContact CD1-CD1 4.26Å
93G88.3Confident92Very high51 Ų5155 Ų5553%0.52633%0.325SS..G310 helixtrans51-113.817400000113.5M91 N95 L96M91-G93 VanDerWaalsContact C-N 3.35Å; G93-N95 VanDerWaalsContact C-N 3.3Å; G93-N95 PolarHBondContact O-N 3.3Å; G93-L96 WeakPolarHBondContact O-CB 3.5Å; G93-L96 PolarHBondContact O-N 3.45Å
94T86.5Confident92.1Very high116 Ų11662.4 Ų62.471%0.71235%0.353SS*.G310 helixtrans-69.7-22.8-17752.60000114.4L92 L96 R97L92-T94 PolarHBondContact O-N 3.29Å; L92-T94 VanDerWaalsContact O-N 3.08Å; T94-L96 VanDerWaalsContact C-N 3.29Å; T94-R97 PolarHBondContact O-NH1 3.09Å
95N90.8Very high92.2Very high50 Ų5062.2 Ų62.227%0.26735%0.348SS..G310 helixtrans-87-3.2-176.9-63-4.5000112.3Y79 V80 A81 L92 G93Y79-N95 HydrophobicContact CD2-CB 4.48Å; Y79-N95 HydrophobicContact CE2-CB 4.14Å; Y79-N95 WeakPolarHBondContact O-CB 3.5Å; V80-N95 WeakPolarHBondContact CA-O 3.4Å; A81-N95 PolarHBondContact N-O 3.4Å; L92-N95 PolarHBondContact O-N 3.38Å; G93-N95 VanDerWaalsContact C-N 3.3Å; G93-N95 PolarHBondContact O-N 3.3Å
96L93.3Very high92.4Very high44 Ų4463.9 Ų63.923%0.2336%0.356CS..BIsolated β-bridgetrans-72.1129.3175-17765.4000110.5N89 L92 G93 T94 I98N89-L96 HydrophobicContact CB-CD1 4Å; N89-L96 HydrophobicContact CB-CD2 4.14Å; L92-L96 HydrophobicContact CB-CB 4.21Å; L92-L96 HydrophobicContact CD1-CD1 4.26Å; G93-L96 WeakPolarHBondContact O-CB 3.5Å; G93-L96 PolarHBondContact O-N 3.45Å; T94-L96 VanDerWaalsContact C-N 3.29Å; L96-I98 HydrophobicContact CG-CG1 4.49Å
97R92.1Very high92.6Very high48 Ų4862.6 Ų62.618%0.18135%0.345CS..  trans-128.2132.3165.4-62.8-69.6177.3-94.9-5.9107.8V80 A81 W82 T94 P99 L123 E129V80-R97 HydrophobicContact CB-CG 4.25Å; V80-R97 HydrophobicContact CG1-CB 3.53Å; V80-R97 HydrophobicContact CG1-CG 3.27Å; V80-R97 HydrophobicContact CG2-CG 3.93Å; A81-R97 PolarHBondContact O-N 2.63Å; W82-R97 VanDerWaalsContact CB-O 3.31Å; W82-R97 WeakPolarHBondContact CB-O 3.37Å; T94-R97 PolarHBondContact O-NH1 3.09Å; R97-P99 VanDerWaalsContact O-CD 3.28Å; R97-P99 WeakPolarHBondContact O-CD 3.46Å; R97-L123 HydrophobicContact CB-CD1 3.94Å; R97-E129 IonicContact CZ-OE1 2.78Å; R97-E129 IonicContact NE-OE1 3.54Å; R97-E129 IonicContact NE-OE2 2.9Å; R97-E129 IonicContact NH2-OE1 3.97Å; R97-E129 PolarHBondContact NH2-OE1 2.98Å; R97-E129 IonicContact NH2-OE2 3.87Å
98I92.9Very high92.6Very high125 Ų12565.5 Ų65.564%0.64136%0.359SS*.  trans-96109.9-177.7-58.9172.1000108L96 P124L96-I98 HydrophobicContact CG-CG1 4.49Å; I98-P124 WeakPolarHBondContact O-CD 3.46Å; I98-P124 VanDerWaalsContact O-CG 3.26Å; I98-P124 WeakPolarHBondContact O-CG 3.14Å
99P94.4Very high92.8Very high11 Ų1169 Ų697%0.07138%0.378CS..  trans-80.8159.5177.834-33.7000112.4W82 R97 V101 L121 H122 L123W82-P99 HydrophobicContact CB-CG 4.31Å; W82-P99 HydrophobicContact CD2-CG 3.38Å; W82-P99 HydrophobicContact CE3-CG 3.49Å; W82-P99 VanDerWaalsContact CE3-CG 3.49Å; W82-P99 HydrophobicContact CG-CG 3.73Å; W82-P99 HydrophobicContact CH2-CG 4.38Å; W82-P99 HydrophobicContact CZ2-CG 4.29Å; W82-P99 HydrophobicContact CZ3-CG 3.99Å; R97-P99 VanDerWaalsContact O-CD 3.28Å; R97-P99 WeakPolarHBondContact O-CD 3.46Å; P99-V101 HydrophobicContact CB-CG2 4.37Å; P99-V101 HydrophobicContact CG-CG2 3.95Å; P99-L121 HydrophobicContact CB-CD1 4.22Å; P99-L121 HydrophobicContact CB-CD2 3.85Å; P99-L121 HydrophobicContact CB-CG 3.8Å; P99-L121 HydrophobicContact CG-CD1 3.92Å; P99-L121 HydrophobicContact CG-CD2 4.34Å; P99-L121 HydrophobicContact CG-CG 4.07Å; P99-H122 CarbonylContact C-O 3.51Å; P99-H122 WeakPolarHBondContact CA-O 3.48Å; P99-H122 WeakPolarHBondContact CB-O 3.4Å; P99-L123 HydrophobicContact CB-CD1 4.23Å
100A95.4Very high92.8Very high65 Ų6576 Ų7654%0.53741%0.409SS..EExtended strand (participates in β ladder)trans-83.1126.8162.100000108.6L121 H122A100-L121 CarbonylContact O-C 3.51Å; A100-L121 WeakPolarHBondContact O-CA 3.37Å; A100-H122 HydrophobicContact CB-CB 4.35Å; A100-H122 PolarHBondContact N-O 3.18Å; A100-H122 PolarHBondContact O-N 3.27Å
101V95.8Very high92.8Very high58 Ų5873.5 Ų73.535%0.35240%0.396SS..EExtended strand (participates in β ladder)trans-122.2129.2-176.7-176.20000109.8W82 P99 V103 F119 Q120 L121W82-V101 HydrophobicContact CH2-CG2 3.56Å; W82-V101 HydrophobicContact CZ2-CG2 4.22Å; W82-V101 HydrophobicContact CZ3-CG2 3.8Å; P99-V101 HydrophobicContact CB-CG2 4.37Å; P99-V101 HydrophobicContact CG-CG2 3.95Å; V101-V103 HydrophobicContact CG1-CG2 3.97Å; V101-F119 HydrophobicContact CG1-CD2 4.28Å; V101-F119 HydrophobicContact CG1-CE2 3.48Å; V101-F119 VanDerWaalsContact CG1-CE2 3.48Å; V101-F119 HydrophobicContact CG1-CZ 3.86Å; V101-Q120 WeakPolarHBondContact CA-O 3.19Å; V101-L121 HydrophobicContact CG2-CB 4.49Å; V101-L121 HydrophobicContact CG2-CD1 3.85Å; V101-L121 HydrophobicContact CG2-CG 4.05Å
102S96.4Very high92.8Very high66 Ų6673 Ų7346%0.46241%0.412SS..EExtended strand (participates in β ladder)trans-121.2133.8173.9178.30000108.9Q120S102-Q120 PolarHBondContact N-O 3Å; S102-Q120 PolarHBondContact O-N 2.99Å
103V96.5Very high93.1Very high41 Ų4175.1 Ų75.125%0.24842%0.42CS..EExtended strand (participates in β ladder)trans-132.1129.5-175.4-176.70000108.3F63 Y65 V101 L117 F119F63-V103 HydrophobicContact CD1-CG1 3.74Å; F63-V103 HydrophobicContact CE1-CG1 4.01Å; F63-V103 HydrophobicContact CE1-CG2 4.03Å; Y65-V103 HydrophobicContact CD1-CG2 4.49Å; Y65-V103 HydrophobicContact CE1-CB 4.13Å; Y65-V103 HydrophobicContact CE1-CG1 3.95Å; Y65-V103 HydrophobicContact CE1-CG2 4.43Å; V101-V103 HydrophobicContact CG1-CG2 3.97Å; V103-L117 HydrophobicContact CG1-CD1 3.65Å; V103-F119 HydrophobicContact CG2-CD2 3.94Å; V103-F119 HydrophobicContact CG2-CE2 4.25Å
104R96.3Very high93.4Very high158 Ų15874.6 Ų74.660%0.59641%0.405SS*.EExtended strand (participates in β ladder)trans-136124.4175.3-173.4178.4-179-169.3-10.5109.1E106 T118R104-E106 WeakPolarHBondContact CD-OE1 3.32Å; R104-E106 HydrophobicContact CG-CG 4.09Å; R104-E106 IonicContact CZ-OE1 2.82Å; R104-E106 IonicContact NE-OE1 3.64Å; R104-E106 PolarHBondContact NE-OE1 2.92Å; R104-E106 IonicContact NH1-OE1 3.86Å; R104-E106 PolarHBondContact NH1-OE1 3.31Å; R104-E106 IonicContact NH2-OE1 3.5Å; R104-E106 PolarHBondContact NH2-OE1 2.77Å; R104-T118 PolarHBondContact N-O 2.85Å; R104-T118 PolarHBondContact O-N 3.18Å
105E95.5Very high93.8Very high49 Ų4970.1 Ų70.123%0.22938%0.377CS..EExtended strand (participates in β ladder)trans-105.7130.9169.4-66.2-179.1123.200108.3F63 L114 L116 L117F63-E105 VanDerWaalsContact CB-OE1 3.29Å; F63-E105 WeakPolarHBondContact CB-OE1 3.43Å; F63-E105 PolarHBondContact N-OE1 3.3Å; E105-L114 HydrophobicContact CB-CD1 3.84Å; E105-L114 HydrophobicContact CB-CD2 3.96Å; E105-L114 HydrophobicContact CB-CG 4.36Å; E105-L114 HydrophobicContact CG-CD1 4.22Å; E105-L114 WeakPolarHBondContact OE2-CD1 3.23Å; E105-L116 CarbonylContact C-O 3.59Å; E105-L116 WeakPolarHBondContact CA-O 3.42Å; E105-L117 HydrophobicContact CG-CD1 3.72Å
106E94.6Very high94.1Very high48 Ų4868.5 Ų68.522%0.22437%0.368CS..EExtended strand (participates in β ladder)trans-119.1137.6-178-61.9-175169.500110.7R104 D115 L116R104-E106 WeakPolarHBondContact CD-OE1 3.32Å; R104-E106 HydrophobicContact CG-CG 4.09Å; R104-E106 IonicContact CZ-OE1 2.82Å; R104-E106 IonicContact NE-OE1 3.64Å; R104-E106 PolarHBondContact NE-OE1 2.92Å; R104-E106 IonicContact NH1-OE1 3.86Å; R104-E106 PolarHBondContact NH1-OE1 3.31Å; R104-E106 IonicContact NH2-OE1 3.5Å; R104-E106 PolarHBondContact NH2-OE1 2.77Å; E106-D115 PolarHBondContact O-N 3.46Å; E106-L116 PolarHBondContact N-O 3.23Å; E106-L116 PolarHBondContact O-N 2.76Å; E106-L116 VanDerWaalsContact O-N 3.16Å
107D94.9Very high94.2Very high51 Ų5166.4 Ų66.427%0.27336%0.357SS..  trans-101.2103.8164.3176.1-5.5000106.2N109 Q110 D111 G112 K113 L114D107-N109 PolarHBondContact OD1-N 3Å; D107-N109 PolarHBondContact OD1-OD1 3.38Å; D107-Q110 WeakPolarHBondContact OD1-CA 3.43Å; D107-Q110 PolarHBondContact OD1-N 3.36Å; D107-Q110 WeakPolarHBondContact OD2-CA 3.26Å; D107-D111 PolarHBondContact OD1-N 3.24Å; D107-D111 PolarHBondContact OD2-N 3.04Å; D107-G112 WeakPolarHBondContact OD2-CA 3.22Å; D107-G112 PolarHBondContact OD2-N 3.23Å; D107-K113 WeakPolarHBondContact CB-O 3.19Å; D107-L114 HydrophobicContact CB-CD2 4.47Å
108Q92.8Very high94.5Very high131 Ų13165.4 Ų65.461%0.61236%0.357SS*.SBendtrans-82.1-30.9-172.7-67.5-171.9-18.100111.4D115Q108-D115 HydrophobicContact CB-CB 4.38Å; Q108-D115 HydrophobicContact CG-CB 4.33Å; Q108-D115 PolarHBondContact N-OD2 2.92Å
109N92.8Very high94.7Very high87 Ų8759.5 Ų59.547%0.46533%0.326SS..SBendtrans-98.6-4.2-176.371.511.4000113.5D107 D111 D115D107-N109 PolarHBondContact OD1-N 3Å; D107-N109 PolarHBondContact OD1-OD1 3.38Å; N109-D111 VanDerWaalsContact C-N 3.29Å; N109-D111 PolarHBondContact ND2-OD2 3.49Å; N109-D111 PolarHBondContact O-N 2.84Å; N109-D111 VanDerWaalsContact OD1-CB 3.22Å; N109-D111 WeakPolarHBondContact OD1-CB 3.37Å; N109-D111 PolarHBondContact OD1-N 3.42Å; N109-D111 PolarHBondContact OD1-OD1 2.86Å; N109-D111 PolarHBondContact OD1-OD2 2.91Å; N109-D115 PolarHBondContact N-OD2 2.95Å
110Q91.6Very high94.8Very high173 Ų17362.6 Ų62.681%0.80834%0.34SS*.  trans59.931.9-179.1-58-177.5-15.500113.8D107 G112D107-Q110 WeakPolarHBondContact OD1-CA 3.43Å; D107-Q110 PolarHBondContact OD1-N 3.36Å; D107-Q110 WeakPolarHBondContact OD2-CA 3.26Å; Q110-G112 VanDerWaalsContact C-N 3.33Å
111D90.9Very high94.8Very high78 Ų7859.6 Ų59.642%0.41731%0.314SS..SBendtrans-88.2-0.6179.978.59.7000113.9Q58 D107 N109 K113Q58-D111 PolarHBondContact OE1-OD2 3.38Å; D107-D111 PolarHBondContact OD1-N 3.24Å; D107-D111 PolarHBondContact OD2-N 3.04Å; N109-D111 VanDerWaalsContact C-N 3.29Å; N109-D111 PolarHBondContact ND2-OD2 3.49Å; N109-D111 PolarHBondContact O-N 2.84Å; N109-D111 VanDerWaalsContact OD1-CB 3.22Å; N109-D111 WeakPolarHBondContact OD1-CB 3.37Å; N109-D111 PolarHBondContact OD1-N 3.42Å; N109-D111 PolarHBondContact OD1-OD1 2.86Å; N109-D111 PolarHBondContact OD1-OD2 2.91Å; D111-K113 VanDerWaalsContact C-N 3.35Å; D111-K113 WeakPolarHBondContact OD1-CA 3.35Å; D111-K113 WeakPolarHBondContact OD1-CB 3.25Å; D111-K113 PolarHBondContact OD1-N 2.87Å
112G90.1Very high94.8Very high70 Ų7060.3 Ų60.372%0.72231%0.314SS*.SBendtrans86.62.8-178.500000114D107 Q110D107-G112 WeakPolarHBondContact OD2-CA 3.22Å; D107-G112 PolarHBondContact OD2-N 3.23Å; Q110-G112 VanDerWaalsContact C-N 3.33Å
113K93.1Very high94.7Very high58 Ų5857.2 Ų57.225%0.25229%0.292SS..SBendtrans-108.5145.9169.7-55.9-179.5179.8178.20109.4Q58 V60 D107 D111Q58-K113 HydrophobicContact CB-CD 4.31Å; Q58-K113 HydrophobicContact CG-CD 4.13Å; Q58-K113 PolarHBondContact O-NZ 3Å; V60-K113 HydrophobicContact CG2-CD 4.34Å; V60-K113 HydrophobicContact CG2-CG 4.28Å; D107-K113 WeakPolarHBondContact CB-O 3.19Å; D111-K113 VanDerWaalsContact C-N 3.35Å; D111-K113 WeakPolarHBondContact OD1-CA 3.35Å; D111-K113 WeakPolarHBondContact OD1-CB 3.25Å; D111-K113 PolarHBondContact OD1-N 2.87Å
114L94.9Very high94.5Very high39 Ų3958 Ų5820%0.20430%0.298CS..  trans-76.6140.5175.9-59.3170000108.6R62 E105 D107 Y250R62-L114 HydrophobicContact CG-CD1 4.24Å; E105-L114 HydrophobicContact CB-CD1 3.84Å; E105-L114 HydrophobicContact CB-CD2 3.96Å; E105-L114 HydrophobicContact CB-CG 4.36Å; E105-L114 HydrophobicContact CG-CD1 4.22Å; E105-L114 WeakPolarHBondContact OE2-CD1 3.23Å; D107-L114 HydrophobicContact CB-CD2 4.47Å; L114-Y250 HydrophobicContact CB-CD2 4.13Å; L114-Y250 HydrophobicContact CB-CE2 4.13Å; L114-Y250 WeakPolarHBondContact O-CD2 3.31Å
115D94.9Very high94.2Very high22 Ų2251.2 Ų51.212%0.11827%0.274CS..  trans-111.4-33.1-178.2-68-46.8000112.4Q58 E106 Q108 N109 R249 Y250Q58-D115 PolarHBondContact NE2-OD1 3.17Å; E106-D115 PolarHBondContact O-N 3.46Å; Q108-D115 HydrophobicContact CB-CB 4.38Å; Q108-D115 HydrophobicContact CG-CB 4.33Å; Q108-D115 PolarHBondContact N-OD2 2.92Å; N109-D115 PolarHBondContact N-OD2 2.95Å; D115-R249 CarbonylContact O-C 3.55Å; D115-R249 WeakPolarHBondContact O-CA 3.26Å; D115-Y250 PolarHBondContact O-N 3.35Å
116L95.9Very high93.8Very high17 Ų1754.2 Ų54.29%0.08929%0.286CS..EExtended strand (participates in β ladder)trans-140.1132-172.3177.366.1000111.2E105 E106 E247 R249E105-L116 CarbonylContact C-O 3.59Å; E105-L116 WeakPolarHBondContact CA-O 3.42Å; E106-L116 PolarHBondContact N-O 3.23Å; E106-L116 PolarHBondContact O-N 2.76Å; E106-L116 VanDerWaalsContact O-N 3.16Å; L116-E247 HydrophobicContact CD1-CB 4.23Å; L116-R249 HydrophobicContact CD1-CG 3.82Å
117L97Very high93.2Very high0 Ų055.6 Ų55.60%030%0.301CS..EExtended strand (participates in β ladder)trans-102.2121.6163.6171.172.6000109.5F63 V103 E105 F119 F140 E247 I248 Y250F63-L117 HydrophobicContact CB-CD1 4.28Å; F63-L117 HydrophobicContact CB-CD2 4.48Å; F63-L117 HydrophobicContact CD1-CD1 4.49Å; F63-L117 HydrophobicContact CD2-CD2 4.25Å; F63-L117 HydrophobicContact CG-CD1 4.4Å; F63-L117 HydrophobicContact CG-CD2 4.31Å; V103-L117 HydrophobicContact CG1-CD1 3.65Å; E105-L117 HydrophobicContact CG-CD1 3.72Å; L117-F119 HydrophobicContact CD2-CB 4.46Å; L117-F119 HydrophobicContact CG-CB 4.43Å; L117-F140 HydrophobicContact CD2-CE1 3.54Å; L117-F140 HydrophobicContact CD2-CZ 3.89Å; L117-E247 CarbonylContact O-C 3.56Å; L117-E247 WeakPolarHBondContact O-CA 3.41Å; L117-I248 HydrophobicContact CB-CB 4.33Å; L117-I248 HydrophobicContact CD2-CD1 4.32Å; L117-I248 PolarHBondContact N-O 3.33Å; L117-I248 PolarHBondContact O-N 2.87Å; L117-Y250 HydrophobicContact CB-CE2 4.43Å; L117-Y250 WeakPolarHBondContact CB-OH 3.33Å
118T97.2Very high92.7Very high27 Ų2759.1 Ų59.117%0.16632%0.319CS..EExtended strand (participates in β ladder)trans-101.8112.5164.5-52.40000108.9R104 Q120R104-T118 PolarHBondContact N-O 2.85Å; R104-T118 PolarHBondContact O-N 3.18Å; T118-Q120 HydrophobicContact CG2-CG 4.23Å
119F96.9Very high92.5Very high0 Ų054 Ų540%030%0.295CS..EExtended strand (participates in β ladder)trans-113.1117.8178.2177.7-92.8000109.1F63 T67 V101 V103 L117 L121 L136 L138 L244 N245 A246F63-F119 HydrophobicContact CZ-CD2 4.41Å; F63-F119 HydrophobicContact CZ-CE2 4.39Å; T67-F119 HydrophobicContact CG2-CE2 3.84Å; T67-F119 HydrophobicContact CG2-CZ 4.07Å; V101-F119 HydrophobicContact CG1-CD2 4.28Å; V101-F119 HydrophobicContact CG1-CE2 3.48Å; V101-F119 VanDerWaalsContact CG1-CE2 3.48Å; V101-F119 HydrophobicContact CG1-CZ 3.86Å; V103-F119 HydrophobicContact CG2-CD2 3.94Å; V103-F119 HydrophobicContact CG2-CE2 4.25Å; L117-F119 HydrophobicContact CD2-CB 4.46Å; L117-F119 HydrophobicContact CG-CB 4.43Å; F119-L121 HydrophobicContact CD1-CB 4.48Å; F119-L121 HydrophobicContact CE1-CB 3.68Å; F119-L121 HydrophobicContact CE1-CD1 3.99Å; F119-L121 HydrophobicContact CE1-CG 4.5Å; F119-L121 HydrophobicContact CZ-CB 4.05Å; F119-L121 HydrophobicContact CZ-CD1 3.81Å; F119-L136 HydrophobicContact CD1-CD2 4.41Å; F119-L136 HydrophobicContact CE1-CD1 4.3Å; F119-L136 HydrophobicContact CE1-CD2 4.23Å; F119-L138 HydrophobicContact CD2-CD2 4.44Å; F119-L138 HydrophobicContact CE1-CD2 4.44Å; F119-L138 HydrophobicContact CE2-CD2 4.21Å; F119-L138 HydrophobicContact CZ-CD2 4.2Å; F119-L244 HydrophobicContact CD1-CD2 3.94Å; F119-L244 HydrophobicContact CE1-CD2 4.07Å; F119-N245 CarbonylContact O-C 3.55Å; F119-N245 WeakPolarHBondContact O-CA 3.23Å; F119-A246 HydrophobicContact CB-CB 4.24Å; F119-A246 HydrophobicContact CD1-CB 4.28Å; F119-A246 PolarHBondContact N-O 3.33Å; F119-A246 PolarHBondContact O-N 3.18Å
120Q97Very high92.4Very high77 Ų7753.2 Ų53.236%0.3629%0.289SS..EExtended strand (participates in β ladder)trans-117.8130.4177.4-58.9-178.4-29.200109.2V101 S102 T118 L244 N245V101-Q120 WeakPolarHBondContact CA-O 3.19Å; S102-Q120 PolarHBondContact N-O 3Å; S102-Q120 PolarHBondContact O-N 2.99Å; T118-Q120 HydrophobicContact CG2-CG 4.23Å; Q120-L244 CarbonylContact C-O 3.53Å; Q120-L244 WeakPolarHBondContact CA-O 3.45Å; Q120-N245 WeakPolarHBondContact CG-OD1 3.46Å
121L96.3Very high92.4Very high1 Ų145 Ų451%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-134.9126.4-178.7-179.9150.6000109.9L69 W82 P99 A100 V101 F119 L123 L244L69-L121 HydrophobicContact CD2-CD1 3.98Å; L69-L121 HydrophobicContact CD2-CD2 3.72Å; W82-L121 HydrophobicContact CE3-CD1 4.02Å; W82-L121 HydrophobicContact CZ3-CD1 3.83Å; P99-L121 HydrophobicContact CB-CD1 4.22Å; P99-L121 HydrophobicContact CB-CD2 3.85Å; P99-L121 HydrophobicContact CB-CG 3.8Å; P99-L121 HydrophobicContact CG-CD1 3.92Å; P99-L121 HydrophobicContact CG-CD2 4.34Å; P99-L121 HydrophobicContact CG-CG 4.07Å; A100-L121 CarbonylContact O-C 3.51Å; A100-L121 WeakPolarHBondContact O-CA 3.37Å; V101-L121 HydrophobicContact CG2-CB 4.49Å; V101-L121 HydrophobicContact CG2-CD1 3.85Å; V101-L121 HydrophobicContact CG2-CG 4.05Å; F119-L121 HydrophobicContact CD1-CB 4.48Å; F119-L121 HydrophobicContact CE1-CB 3.68Å; F119-L121 HydrophobicContact CE1-CD1 3.99Å; F119-L121 HydrophobicContact CE1-CG 4.5Å; F119-L121 HydrophobicContact CZ-CB 4.05Å; F119-L121 HydrophobicContact CZ-CD1 3.81Å; L121-L123 HydrophobicContact CD2-CB 3.96Å; L121-L244 HydrophobicContact CB-CB 4.25Å; L121-L244 HydrophobicContact CD2-CB 4.44Å; L121-L244 PolarHBondContact N-O 3.31Å; L121-L244 PolarHBondContact O-N 3.17Å
122H95.6Very high92.5Very high73 Ų7343.5 Ų43.534%0.33824%0.24SC..EExtended strand (participates in β ladder)trans-110.8105.7175.6-59.3170.4000109.1P99 A100 P124 P241 F242P99-H122 CarbonylContact C-O 3.51Å; P99-H122 WeakPolarHBondContact CA-O 3.48Å; P99-H122 WeakPolarHBondContact CB-O 3.4Å; A100-H122 HydrophobicContact CB-CB 4.35Å; A100-H122 PolarHBondContact N-O 3.18Å; A100-H122 PolarHBondContact O-N 3.27Å; H122-P124 WeakPolarHBondContact O-CD 3.08Å; H122-P241 HydrophobicContact CB-CB 4.14Å; H122-P241 HydrophobicContact CB-CG 4.24Å; H122-F242 CarbonylContact C-O 3.52Å; H122-F242 WeakPolarHBondContact CA-O 3.25Å
123L94.1Very high92.6Very high2 Ų241.4 Ų41.41%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-88.2113.3-179.7-176.368.7000110.2L69 A71 V80 R97 P99 L121 L125 P241 F242L69-L123 HydrophobicContact CD2-CD1 4.09Å; L69-L123 HydrophobicContact CD2-CD2 4.32Å; A71-L123 HydrophobicContact CB-CD2 3.99Å; V80-L123 HydrophobicContact CG1-CD1 4.18Å; V80-L123 HydrophobicContact CG1-CD2 4.26Å; R97-L123 HydrophobicContact CB-CD1 3.94Å; P99-L123 HydrophobicContact CB-CD1 4.23Å; L121-L123 HydrophobicContact CD2-CB 3.96Å; L123-L125 HydrophobicContact CD2-CD2 3.99Å; L123-L125 HydrophobicContact CG-CD2 4.22Å; L123-L125 HydrophobicContact CG-CG 4.47Å; L123-L125 PolarHBondContact O-N 3.09Å; L123-P241 CarbonylContact O-C 3.54Å; L123-P241 VanDerWaalsContact O-CA 3.24Å; L123-P241 WeakPolarHBondContact O-CA 2.95Å; L123-P241 VanDerWaalsContact O-CB 3.31Å; L123-P241 WeakPolarHBondContact O-CB 3.46Å; L123-F242 HydrophobicContact CB-CB 4.27Å; L123-F242 PolarHBondContact N-O 2.78Å; L123-F242 PolarHBondContact O-N 2.77Å
124P93Very high92.7Very high57 Ų5738.8 Ų38.837%0.3720%0.203SC..  trans-70.3128.4174.929-34.2000109.7I98 H122I98-P124 WeakPolarHBondContact O-CD 3.46Å; I98-P124 VanDerWaalsContact O-CG 3.26Å; I98-P124 WeakPolarHBondContact O-CG 3.14Å; H122-P124 WeakPolarHBondContact O-CD 3.08Å
125L88.9Confident92.7Very high16 Ų1640 Ų408%0.08421%0.207CC..  trans-122.3149.8178.4-64.1167.9000108.6L123 E129 V131 F242L123-L125 HydrophobicContact CD2-CD2 3.99Å; L123-L125 HydrophobicContact CG-CD2 4.22Å; L123-L125 HydrophobicContact CG-CG 4.47Å; L123-L125 PolarHBondContact O-N 3.09Å; L125-E129 HydrophobicContact CB-CB 4.31Å; L125-E129 HydrophobicContact CD2-CB 4.38Å; L125-V131 HydrophobicContact CD1-CG2 3.47Å; L125-V131 VanDerWaalsContact CD1-CG2 3.47Å; L125-V131 HydrophobicContact CD2-CG2 4.03Å; L125-V131 HydrophobicContact CG-CG2 4.39Å; L125-F242 HydrophobicContact CD1-CB 3.65Å
126K87.4Confident92.7Very high112 Ų11239 Ų3949%0.48720%0.202SC..  trans-72.4163.7169.3-60.4178.3-173.7165.90110.6D128 E129 R236K126-D128 WeakPolarHBondContact CB-OD1 3.29Å; K126-D128 PolarHBondContact O-N 3.47Å; K126-E129 HydrophobicContact CB-CB 4.37Å; K126-E129 HydrophobicContact CB-CG 4Å; K126-E129 WeakPolarHBondContact CD-OE1 3.21Å; K126-E129 HydrophobicContact CG-CG 4.5Å; K126-E129 PolarHBondContact N-OE2 2.93Å; K126-E129 IonicContact NZ-OE1 3.68Å; K126-E129 PolarHBondContact O-N 3.46Å; K126-E129 VanDerWaalsContact O-N 3.12Å; K126-R236 PolarHBondContact O-NH2 2.79Å
127S81.6Confident92.7Very high77 Ų7738.2 Ų38.254%0.53820%0.198SC..THydrogen-bonded Turntrans-60.1-29.9-178.4-51.30000113.2
128D84.5Confident92.7Very high124 Ų12438.3 Ų38.366%0.66320%0.198SC*.THydrogen-bonded Turntrans-89.3-14.4178.559.8-33.5000114.3K126K126-D128 WeakPolarHBondContact CB-OD1 3.29Å; K126-D128 PolarHBondContact O-N 3.47Å
129E88.4Confident92.6Very high23 Ų2337 Ų3711%0.10719%0.19CC..  trans-89129.2-178.8-70.6171176.600110T73 R97 L125 K126 R236T73-E129 HydrophobicContact CG2-CB 4.37Å; R97-E129 IonicContact CZ-OE1 2.78Å; R97-E129 IonicContact NE-OE1 3.54Å; R97-E129 IonicContact NE-OE2 2.9Å; R97-E129 IonicContact NH2-OE1 3.97Å; R97-E129 PolarHBondContact NH2-OE1 2.98Å; R97-E129 IonicContact NH2-OE2 3.87Å; L125-E129 HydrophobicContact CB-CB 4.31Å; L125-E129 HydrophobicContact CD2-CB 4.38Å; K126-E129 HydrophobicContact CB-CB 4.37Å; K126-E129 HydrophobicContact CB-CG 4Å; K126-E129 WeakPolarHBondContact CD-OE1 3.21Å; K126-E129 HydrophobicContact CG-CG 4.5Å; K126-E129 PolarHBondContact N-OE2 2.93Å; K126-E129 IonicContact NZ-OE1 3.68Å; K126-E129 PolarHBondContact O-N 3.46Å; K126-E129 VanDerWaalsContact O-N 3.12Å; E129-R236 PolarHBondContact O-NH1 3.24Å; E129-R236 PolarHBondContact O-NH2 2.76Å
130H90Very high92.6Very high71 Ų7137 Ų3733%0.32919%0.19SC..  trans-127.8139.5177.4-62.6-57.5000111.7T73 Y132 P165 R236T73-H130 CarbonylContact C-O 3.47Å; T73-H130 VanDerWaalsContact C-O 3.24Å; T73-H130 WeakPolarHBondContact CA-O 3.16Å; H130-Y132 HydrophobicContact CB-CE2 4.05Å; H130-Y132 WeakPolarHBondContact O-CD2 3.4Å; H130-P165 HydrophobicContact CB-CB 3.74Å; H130-R236 PolarHBondContact ND1-NH2 3.49Å
131V92.3Very high92.5Very high0 Ų034.4 Ų34.40%018%0.181CC..EExtended strand (participates in β ladder)trans-93.2124.4-176.4179.80000111.4A71 L125 I134 P165 G166 W232 F242A71-V131 HydrophobicContact CB-CG1 4.06Å; A71-V131 HydrophobicContact CB-CG2 4.29Å; L125-V131 HydrophobicContact CD1-CG2 3.47Å; L125-V131 VanDerWaalsContact CD1-CG2 3.47Å; L125-V131 HydrophobicContact CD2-CG2 4.03Å; L125-V131 HydrophobicContact CG-CG2 4.39Å; V131-I134 HydrophobicContact CG1-CD1 3.87Å; V131-I134 HydrophobicContact CG1-CG1 3.59Å; V131-P165 WeakPolarHBondContact O-CA 3.18Å; V131-G166 PolarHBondContact O-N 3.28Å; V131-W232 HydrophobicContact CG1-CH2 4.27Å; V131-W232 WeakPolarHBondContact O-CZ2 3.42Å; V131-F242 HydrophobicContact CB-CD2 4.11Å; V131-F242 HydrophobicContact CB-CE2 4.41Å; V131-F242 HydrophobicContact CG1-CE2 4.47Å; V131-F242 HydrophobicContact CG2-CB 4.47Å; V131-F242 HydrophobicContact CG2-CD2 4.35Å; V131-F242 HydrophobicContact CG2-CG 4.39Å
132Y92.9Very high92.5Very high48 Ų4834.4 Ų34.419%0.18818%0.18CC..EExtended strand (participates in β ladder)trans-107-35.8178.5-68.3-86.6000112.9A72 T73 L75 H130 S162 P165A72-Y132 PolarHBondContact O-N 3.33Å; T73-Y132 WeakPolarHBondContact O-CE2 3.37Å; L75-Y132 HydrophobicContact CD2-CD1 4.3Å; H130-Y132 HydrophobicContact CB-CE2 4.05Å; H130-Y132 WeakPolarHBondContact O-CD2 3.4Å; Y132-S162 PolarHBondContact O-N 2.99Å; Y132-S162 VanDerWaalsContact O-O 3.12Å; Y132-P165 HydrophobicContact CE1-CB 4.41Å
133S93.6Very high92.5Very high26 Ų2633.6 Ų33.618%0.18218%0.177CC..EExtended strand (participates in β ladder)trans-137.5151.6177.977.20000111.1A71 A72 H160A71-S133 CarbonylContact C-O 3.51Å; A71-S133 WeakPolarHBondContact CA-O 3.38Å; A72-S133 WeakPolarHBondContact CB-OG 3.36Å; A72-S133 PolarHBondContact N-O 2.91Å; S133-H160 CarbonylContact C-O 3.24Å; S133-H160 WeakPolarHBondContact CA-O 3.31Å; S133-H160 WeakPolarHBondContact CB-O 3.27Å
134I94.3Very high92.6Very high3 Ų333.6 Ų33.62%0.01518%0.177CC..EExtended strand (participates in β ladder)trans-135.2135179-66.3177.8000108.6L69 F70 A71 V131 Q159 H160 M169 W232 F242 L244L69-I134 HydrophobicContact CD1-CG2 3.88Å; F70-I134 CarbonylContact O-C 3.58Å; F70-I134 WeakPolarHBondContact O-CA 3.22Å; A71-I134 HydrophobicContact CB-CG1 4.45Å; V131-I134 HydrophobicContact CG1-CD1 3.87Å; V131-I134 HydrophobicContact CG1-CG1 3.59Å; I134-Q159 CarbonylContact O-C 3.5Å; I134-Q159 VanDerWaalsContact O-CA 3.31Å; I134-Q159 WeakPolarHBondContact O-CA 3.39Å; I134-H160 PolarHBondContact N-O 3.06Å; I134-H160 PolarHBondContact O-N 3.19Å; I134-M169 HydrophobicContact CB-SD 4.14Å; I134-M169 HydrophobicContact CD1-SD 3.93Å; I134-M169 HydrophobicContact CG2-SD 4.11Å; I134-W232 HydrophobicContact CD1-CH2 4.33Å; I134-W232 HydrophobicContact CD1-CZ3 4.04Å; I134-F242 HydrophobicContact CD1-CD1 3.93Å; I134-F242 HydrophobicContact CD1-CE1 3.05Å; I134-F242 HydrophobicContact CD1-CE2 4.02Å; I134-F242 HydrophobicContact CD1-CZ 3.11Å; I134-F242 HydrophobicContact CG1-CE1 4.49Å; I134-F242 HydrophobicContact CG1-CZ 4.49Å; I134-L244 HydrophobicContact CG2-CD1 3.95Å
135Q95.1Very high92.6Very high64 Ų6435.8 Ų35.830%0.29918%0.181SC..EExtended strand (participates in β ladder)trans-124.5115.7168.9-61.7172.34.300107L69 F70 F157 V158 Q159 L209L69-Q135 WeakPolarHBondContact CA-O 3.26Å; F70-Q135 HydrophobicContact CB-CB 4.27Å; F70-Q135 PolarHBondContact N-O 3.3Å; F70-Q135 PolarHBondContact O-N 3.49Å; Q135-F157 HydrophobicContact CB-CE2 4.29Å; Q135-V158 CarbonylContact C-O 3.59Å; Q135-V158 WeakPolarHBondContact CA-O 3.5Å; Q135-Q159 HydrophobicContact CG-CB 4.16Å; Q135-L209 HydrophobicContact CB-CD1 4.38Å
136L95.2Very high92.7Very high2 Ų243 Ų431%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-116.1129179.1179.567.8000108.9L69 F119 L138 V158 L244L69-L136 HydrophobicContact CD1-CD1 4.11Å; F119-L136 HydrophobicContact CD1-CD2 4.41Å; F119-L136 HydrophobicContact CE1-CD1 4.3Å; F119-L136 HydrophobicContact CE1-CD2 4.23Å; L136-L138 HydrophobicContact CD1-CD2 3.92Å; L136-L138 HydrophobicContact CD1-CG 4.43Å; L136-L138 HydrophobicContact CD2-CD1 4.13Å; L136-L138 HydrophobicContact CD2-CD2 4.26Å; L136-L138 HydrophobicContact CD2-CG 4.15Å; L136-L138 HydrophobicContact CG-CD2 4.09Å; L136-L138 HydrophobicContact CG-CG 4.05Å; L136-V158 PolarHBondContact N-O 2.85Å; L136-V158 PolarHBondContact O-N 3.38Å; L136-L244 HydrophobicContact CD2-CD1 4.06Å; L136-L244 HydrophobicContact CD2-CD2 3.82Å
137L95.6Very high92.9Very high0 Ų041.5 Ų41.50%020%0.2CC..EExtended strand (participates in β ladder)trans-123.5121.8175.3-170.1167.3000108.3T67 L68 T139 L155 A156 F157 I197 L209 I212 M213T67-L137 WeakPolarHBondContact CA-O 3.33Å; L68-L137 HydrophobicContact CB-CB 4.27Å; L68-L137 HydrophobicContact CD2-CB 4.3Å; L68-L137 PolarHBondContact N-O 2.94Å; L68-L137 PolarHBondContact O-N 3.16Å; L137-T139 HydrophobicContact CD2-CG2 3.82Å; L137-L155 HydrophobicContact CD1-CD1 3.8Å; L137-L155 HydrophobicContact CD2-CD1 3.5Å; L137-L155 HydrophobicContact CD2-CG 3.8Å; L137-L155 HydrophobicContact CG-CD1 3.64Å; L137-L155 HydrophobicContact CG-CD2 4.22Å; L137-L155 HydrophobicContact CG-CG 3.91Å; L137-A156 WeakPolarHBondContact CA-O 3.47Å; L137-F157 HydrophobicContact CB-CD2 4.46Å; L137-I197 HydrophobicContact CD1-CD1 4.02Å; L137-I197 HydrophobicContact CD2-CD1 3.56Å; L137-I197 HydrophobicContact CG-CD1 4.42Å; L137-L209 HydrophobicContact CD1-CD2 3.71Å; L137-I212 HydrophobicContact CD1-CG2 4.3Å; L137-M213 HydrophobicContact CD1-CE 4.08Å
138L95.8Very high93.3Very high2 Ų237.8 Ų37.81%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-118.1136.5177.5-58.2177.9000108.8F63 T67 F119 L136 F140 L155 A156 I248F63-L138 HydrophobicContact CE2-CB 4.05Å; F63-L138 HydrophobicContact CE2-CD2 4.03Å; F63-L138 HydrophobicContact CZ-CD2 4.21Å; T67-L138 HydrophobicContact CG2-CD2 3.46Å; T67-L138 VanDerWaalsContact CG2-CD2 3.46Å; F119-L138 HydrophobicContact CD2-CD2 4.44Å; F119-L138 HydrophobicContact CE1-CD2 4.44Å; F119-L138 HydrophobicContact CE2-CD2 4.21Å; F119-L138 HydrophobicContact CZ-CD2 4.2Å; L136-L138 HydrophobicContact CD1-CD2 3.92Å; L136-L138 HydrophobicContact CD1-CG 4.43Å; L136-L138 HydrophobicContact CD2-CD1 4.13Å; L136-L138 HydrophobicContact CD2-CD2 4.26Å; L136-L138 HydrophobicContact CD2-CG 4.15Å; L136-L138 HydrophobicContact CG-CD2 4.09Å; L136-L138 HydrophobicContact CG-CG 4.05Å; L138-F140 HydrophobicContact CB-CE2 3.65Å; L138-F140 HydrophobicContact CB-CZ 3.77Å; L138-F140 HydrophobicContact CD1-CZ 4.23Å; L138-L155 CarbonylContact O-C 3.42Å; L138-L155 WeakPolarHBondContact O-CA 3.31Å; L138-A156 HydrophobicContact CB-CB 4.49Å; L138-A156 PolarHBondContact N-O 2.82Å; L138-A156 PolarHBondContact O-N 2.88Å; L138-I248 HydrophobicContact CD1-CD1 3.57Å
139T95.9Very high93.8Very high0 Ų034.1 Ų34.10%016%0.156CC..EExtended strand (participates in β ladder)trans-107.9146.7175.272.70000112.1F63 Q64 Q66 L137 S154 I197F63-T139 VanDerWaalsContact CD2-O 3.26Å; F63-T139 WeakPolarHBondContact CD2-O 3.24Å; Q64-T139 PolarHBondContact N-O 3.48Å; Q64-T139 VanDerWaalsContact N-O 3.15Å; Q66-T139 HydrophobicContact CB-CG2 4.35Å; Q66-T139 VanDerWaalsContact CB-OG1 3.24Å; Q66-T139 WeakPolarHBondContact CB-OG1 3.38Å; Q66-T139 WeakPolarHBondContact CG-OG1 3.35Å; Q66-T139 PolarHBondContact O-N 3.03Å; Q66-T139 PolarHBondContact OE1-OG1 2.86Å; L137-T139 HydrophobicContact CD2-CG2 3.82Å; T139-S154 WeakPolarHBondContact CA-O 3.32Å; T139-I197 HydrophobicContact CG2-CD1 4.44Å
140F96.4Very high94.1Very high0 Ų033 Ų330%015%0.152CC..EExtended strand (participates in β ladder)trans-134.4148.7-177.5-53.4-94.8000110.5V61 R62 F63 L117 L138 Q153 S154 A156 L175 I248 Y250V61-F140 HydrophobicContact CG1-CB 3.84Å; V61-F140 HydrophobicContact CG1-CD1 3.86Å; V61-F140 HydrophobicContact CG1-CG 4.12Å; R62-F140 CarbonylContact O-C 3.6Å; R62-F140 WeakPolarHBondContact O-CA 3.3Å; F63-F140 HydrophobicContact CB-CD1 4.15Å; F63-F140 HydrophobicContact CB-CE1 4.22Å; F63-F140 HydrophobicContact CD2-CD1 4.02Å; F63-F140 AromaticContact CD2-CE1 3.73Å; F63-F140 HydrophobicContact CD2-CE1 3.73Å; F63-F140 HydrophobicContact CD2-CZ 4.19Å; F63-F140 HydrophobicContact CG-CE1 4.39Å; L117-F140 HydrophobicContact CD2-CE1 3.54Å; L117-F140 HydrophobicContact CD2-CZ 3.89Å; L138-F140 HydrophobicContact CB-CE2 3.65Å; L138-F140 HydrophobicContact CB-CZ 3.77Å; L138-F140 HydrophobicContact CD1-CZ 4.23Å; F140-Q153 CarbonylContact O-C 3.58Å; F140-Q153 WeakPolarHBondContact O-CA 3.15Å; F140-S154 PolarHBondContact N-O 3.32Å; F140-S154 PolarHBondContact O-N 3.44Å; F140-A156 HydrophobicContact CE2-CB 3.59Å; F140-A156 HydrophobicContact CZ-CB 4.31Å; F140-L175 HydrophobicContact CD1-CD2 4.48Å; F140-L175 HydrophobicContact CD2-CD2 4.18Å; F140-L175 HydrophobicContact CG-CD2 4.17Å; F140-I248 HydrophobicContact CZ-CD1 3.93Å; F140-Y250 HydrophobicContact CD1-CE1 4.43Å; F140-Y250 WeakPolarHBondContact CD1-OH 3.28Å; F140-Y250 HydrophobicContact CE1-CE1 4.29Å; F140-Y250 VanDerWaalsContact CE1-OH 3.26Å; F140-Y250 WeakPolarHBondContact CE1-OH 3.42Å
141S96.3Very high94.4Very high22 Ų2230.9 Ų30.915%0.15414%0.143CC..EExtended strand (participates in β ladder)trans-84.1127.1160.5-170.10000107.7V61 R62V61-S141 CarbonylContact C-O 3.6Å; V61-S141 VanDerWaalsContact CA-O 3.31Å; V61-S141 WeakPolarHBondContact CA-O 3.3Å; R62-S141 PolarHBondContact N-O 3.29Å; R62-S141 PolarHBondContact O-N 2.91Å
142Y96.1Very high94.6Very high0 Ų031 Ų310%014%0.144CC..EExtended strand (participates in β ladder)trans-123121.7-177.8-169.4-78.1000109.5P59 V61 L144 M152 L177 T223P59-Y142 HydrophobicContact CB-CD1 4.36Å; P59-Y142 HydrophobicContact CB-CD2 4.23Å; P59-Y142 HydrophobicContact CB-CE1 3.7Å; P59-Y142 HydrophobicContact CB-CE2 3.55Å; P59-Y142 WeakPolarHBondContact CB-OH 3.31Å; P59-Y142 HydrophobicContact CG-CE2 3.62Å; P59-Y142 WeakPolarHBondContact CG-OH 3.36Å; V61-Y142 HydrophobicContact CG2-CD2 3.67Å; V61-Y142 HydrophobicContact CG2-CE2 3.9Å; Y142-L144 HydrophobicContact CD1-CG 4.34Å; Y142-L144 HydrophobicContact CE1-CD1 3.95Å; Y142-L144 HydrophobicContact CE1-CD2 3.88Å; Y142-L144 HydrophobicContact CE1-CG 3.72Å; Y142-M152 HydrophobicContact CD1-CE 3.5Å; Y142-M152 VanDerWaalsContact CD1-CE 3.5Å; Y142-M152 HydrophobicContact CD1-CG 4.38Å; Y142-M152 HydrophobicContact CD2-CE 4.47Å; Y142-M152 HydrophobicContact CE1-CE 4.01Å; Y142-M152 HydrophobicContact CG-CE 3.75Å; Y142-M152 PolarHBondContact N-O 2.9Å; Y142-M152 PolarHBondContact O-N 2.66Å; Y142-L177 HydrophobicContact CE1-CD1 4.03Å; Y142-T223 HydrophobicContact CD2-CG2 3.82Å; Y142-T223 HydrophobicContact CE2-CG2 3.92Å; Y142-T223 HydrophobicContact CG-CG2 4.44Å
143Q95.9Very high94.7Very high57 Ų5729.3 Ų29.327%0.26614%0.138SC..EExtended strand (participates in β ladder)trans-129.6138.5-175.6-56.3179.75.600112.4V60 F145 V150 V151V60-Q143 HydrophobicContact CB-CB 4.26Å; V60-Q143 PolarHBondContact N-O 3.48Å; V60-Q143 PolarHBondContact O-N 2.9Å; Q143-F145 HydrophobicContact CB-CE2 3.78Å; Q143-F145 HydrophobicContact CB-CZ 3.96Å; Q143-F145 VanDerWaalsContact OE1-CZ 3.29Å; Q143-V150 VanDerWaalsContact CA-O 3.26Å; Q143-V150 WeakPolarHBondContact CA-O 3.1Å; Q143-V151 HydrophobicContact CG-CG1 4.36Å; Q143-V151 HydrophobicContact CG-CG2 4.38Å
144L95.3Very high94.7Very high2 Ų228.1 Ų28.11%0.0113%0.129CC..EExtended strand (participates in β ladder)trans-126.6145.7174.9-62.1167.9000109E57 P59 Y142 T149 V150 L177 L183 I255E57-L144 HydrophobicContact CG-CD2 4.11Å; P59-L144 HydrophobicContact CB-CD2 3.83Å; Y142-L144 HydrophobicContact CD1-CG 4.34Å; Y142-L144 HydrophobicContact CE1-CD1 3.95Å; Y142-L144 HydrophobicContact CE1-CD2 3.88Å; Y142-L144 HydrophobicContact CE1-CG 3.72Å; L144-T149 CarbonylContact O-C 3.53Å; L144-T149 VanDerWaalsContact O-CA 3.23Å; L144-T149 WeakPolarHBondContact O-CA 3.39Å; L144-V150 HydrophobicContact CB-CB 4.05Å; L144-V150 HydrophobicContact CB-CG2 4.31Å; L144-V150 HydrophobicContact CD1-CB 4.04Å; L144-V150 HydrophobicContact CD1-CG2 4Å; L144-V150 HydrophobicContact CG-CB 4.36Å; L144-V150 PolarHBondContact N-O 2.69Å; L144-V150 PolarHBondContact O-N 2.95Å; L144-L177 HydrophobicContact CD1-CD2 4.35Å; L144-L183 HydrophobicContact CD1-CD1 4.32Å; L144-I255 HydrophobicContact CD1-CD1 3.67Å; L144-I255 HydrophobicContact CD2-CD1 3.48Å; L144-I255 VanDerWaalsContact CD2-CD1 3.48Å; L144-I255 HydrophobicContact CG-CD1 4.18Å
145F93.1Very high94.8Very high103 Ų10328.1 Ų28.145%0.45213%0.129SC..  trans-133.7-24-173.3-65.3-75.4000114.8E57 V60 Q143 K147 T149E57-F145 PolarHBondContact OE1-N 2.93Å; V60-F145 HydrophobicContact CB-CE2 4.31Å; V60-F145 HydrophobicContact CG2-CD2 4.29Å; V60-F145 HydrophobicContact CG2-CE2 3.98Å; Q143-F145 HydrophobicContact CB-CE2 3.78Å; Q143-F145 HydrophobicContact CB-CZ 3.96Å; Q143-F145 VanDerWaalsContact OE1-CZ 3.29Å; F145-K147 PolarHBondContact O-N 2.77Å; F145-T149 HydrophobicContact CD1-CG2 3.9Å; F145-T149 HydrophobicContact CE1-CG2 4Å
146R91.1Very high94.8Very high167 Ų16725.1 Ų25.163%0.6312%0.115SC*.SBendtrans-64-34.8-166.7-168.9173.2-175.6177.95.2114.3Y55 E56 E57Y55-R146 HydrophobicContact CD2-CB 4.37Å; Y55-R146 HydrophobicContact CD2-CG 4.4Å; Y55-R146 HydrophobicContact CE2-CB 3.99Å; Y55-R146 HydrophobicContact CE2-CG 4.49Å; E56-R146 PolarHBondContact O-NH1 2.98Å; E57-R146 HydrophobicContact CB-CB 4.42Å; E57-R146 VanDerWaalsContact CD-CB 3.43Å; E57-R146 HydrophobicContact CG-CB 4.22Å; E57-R146 PolarHBondContact OE1-N 3.02Å; E57-R146 VanDerWaalsContact OE2-CB 3.23Å; E57-R146 WeakPolarHBondContact OE2-CB 3.45Å; E57-R146 PolarHBondContact OE2-N 2.86Å
147K90.6Very high94.7Very high80 Ų8027.7 Ų27.735%0.34813%0.127SC..SBendtrans-125-86.7179.8-68.5-67.6-171.8174.90111.4Y55 F145Y55-K147 HydrophobicContact CD1-CG 4Å; Y55-K147 HydrophobicContact CD2-CG 4.39Å; Y55-K147 HydrophobicContact CE1-CB 4.06Å; Y55-K147 HydrophobicContact CE1-CG 3.83Å; Y55-K147 HydrophobicContact CE2-CG 4.2Å; Y55-K147 HydrophobicContact CG-CG 4.26Å; F145-K147 PolarHBondContact O-N 2.77Å
148S91.4Very high94.7Very high0 Ų028.4 Ų28.40%013%0.131CC..SBendtrans-84.8130.3169.1-167.30000107.7V150 G187S148-V150 PolarHBondContact O-N 2.8Å; S148-V150 VanDerWaalsContact O-N 3.17Å; S148-G187 CarbonylContact C-O 3.55Å; S148-G187 PolarHBondContact OG-O 3.36Å
149T94.6Very high94.5Very high46 Ų4634.3 Ų34.328%0.28216%0.158SC..EExtended strand (participates in β ladder)trans-73.3107.4171.2-53.30000108L144 F145 G187 L188 H189L144-T149 CarbonylContact O-C 3.53Å; L144-T149 VanDerWaalsContact O-CA 3.23Å; L144-T149 WeakPolarHBondContact O-CA 3.39Å; F145-T149 HydrophobicContact CD1-CG2 3.9Å; F145-T149 HydrophobicContact CE1-CG2 4Å; T149-G187 PolarHBondContact N-O 2.82Å; T149-L188 HydrophobicContact CG2-CD1 3.9Å; T149-L188 CarbonylContact O-C 3.6Å; T149-L188 WeakPolarHBondContact O-CA 3.29Å; T149-H189 PolarHBondContact O-N 3.4Å
150V95.4Very high94.4Very high1 Ų136.8 Ų36.81%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-104.2130.4177.9-176.40000107.7Q143 L144 S148 M152 L183 H189 L221Q143-V150 VanDerWaalsContact CA-O 3.26Å; Q143-V150 WeakPolarHBondContact CA-O 3.1Å; L144-V150 HydrophobicContact CB-CB 4.05Å; L144-V150 HydrophobicContact CB-CG2 4.31Å; L144-V150 HydrophobicContact CD1-CB 4.04Å; L144-V150 HydrophobicContact CD1-CG2 4Å; L144-V150 HydrophobicContact CG-CB 4.36Å; L144-V150 PolarHBondContact N-O 2.69Å; L144-V150 PolarHBondContact O-N 2.95Å; S148-V150 PolarHBondContact O-N 2.8Å; S148-V150 VanDerWaalsContact O-N 3.17Å; V150-M152 HydrophobicContact CG1-CG 4.48Å; V150-L183 HydrophobicContact CG2-CD1 3.72Å; V150-L183 HydrophobicContact CG2-CD2 3.89Å; V150-L183 HydrophobicContact CG2-CG 4.48Å; V150-H189 WeakPolarHBondContact CA-O 3.31Å; V150-H189 HydrophobicContact CG2-CB 4.22Å; V150-L221 HydrophobicContact CG1-CD1 4.35Å
151V95.8Very high94.2Very high26 Ų2641.2 Ų41.216%0.15820%0.201CC..EExtended strand (participates in β ladder)trans-127.1119.4170.1-178.10000106.9Q143 L188 H189 N193Q143-V151 HydrophobicContact CG-CG1 4.36Å; Q143-V151 HydrophobicContact CG-CG2 4.38Å; V151-L188 HydrophobicContact CG2-CD1 4.47Å; V151-H189 PolarHBondContact N-O 3.32Å; V151-H189 VanDerWaalsContact N-O 3.09Å; V151-N193 HydrophobicContact CG1-CB 4.28Å
152M95.4Very high94Very high3 Ų341.1 Ų41.12%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-145156.1177.866.7178-173.800112Y142 V150 L177 Y192 L221 T223Y142-M152 HydrophobicContact CD1-CE 3.5Å; Y142-M152 VanDerWaalsContact CD1-CE 3.5Å; Y142-M152 HydrophobicContact CD1-CG 4.38Å; Y142-M152 HydrophobicContact CD2-CE 4.47Å; Y142-M152 HydrophobicContact CE1-CE 4.01Å; Y142-M152 HydrophobicContact CG-CE 3.75Å; Y142-M152 PolarHBondContact N-O 2.9Å; Y142-M152 PolarHBondContact O-N 2.66Å; V150-M152 HydrophobicContact CG1-CG 4.48Å; M152-L177 HydrophobicContact CE-CD1 3.43Å; M152-L177 VanDerWaalsContact CE-CD1 3.43Å; M152-Y192 WeakPolarHBondContact CA-O 3.49Å; M152-L221 HydrophobicContact SD-CB 3.98Å; M152-T223 HydrophobicContact CE-CG2 4.02Å
153Q95.6Very high93.6Very high12 Ų1246.6 Ų46.66%0.05624%0.236CC..EExtended strand (participates in β ladder)trans-90.5120.3163.2-171.1169-25.400109.1F140 Y192 S195 V196 R219F140-Q153 CarbonylContact O-C 3.58Å; F140-Q153 WeakPolarHBondContact O-CA 3.15Å; Q153-Y192 PolarHBondContact N-O 3.39Å; Q153-S195 VanDerWaalsContact OE1-CA 3.25Å; Q153-V196 HydrophobicContact CB-CG2 4.14Å; Q153-V196 HydrophobicContact CG-CG2 3.89Å; Q153-V196 WeakPolarHBondContact O-CG2 3.49Å; Q153-R219 PolarHBondContact O-NH1 3.25Å
154S94.6Very high93.4Very high0 Ų047.3 Ų47.30%024%0.244CC..EExtended strand (participates in β ladder)trans-108.4172.4-179.886.40000110.9T139 F140 T223T139-S154 WeakPolarHBondContact CA-O 3.32Å; F140-S154 PolarHBondContact N-O 3.32Å; F140-S154 PolarHBondContact O-N 3.44Å; S154-T223 WeakPolarHBondContact CB-OG1 3.35Å; S154-T223 PolarHBondContact OG-OG1 2.76Å
155L95.2Very high93.2Very high3 Ų349.5 Ų49.52%0.01626%0.259CS..EExtended strand (participates in β ladder)trans-145140.2-170-180155.2000109.9L137 L138 F157 V196 I212 M213 Y216 T223L137-L155 HydrophobicContact CD1-CD1 3.8Å; L137-L155 HydrophobicContact CD2-CD1 3.5Å; L137-L155 HydrophobicContact CD2-CG 3.8Å; L137-L155 HydrophobicContact CG-CD1 3.64Å; L137-L155 HydrophobicContact CG-CD2 4.22Å; L137-L155 HydrophobicContact CG-CG 3.91Å; L138-L155 CarbonylContact O-C 3.42Å; L138-L155 WeakPolarHBondContact O-CA 3.31Å; L155-F157 HydrophobicContact CD2-CB 3.72Å; L155-V196 HydrophobicContact CD1-CB 4.46Å; L155-V196 HydrophobicContact CD1-CG1 3.56Å; L155-I212 HydrophobicContact CD1-CG2 4.37Å; L155-M213 HydrophobicContact CD1-CE 3.52Å; L155-M213 HydrophobicContact CD2-CE 3.68Å; L155-M213 HydrophobicContact CD2-SD 4.33Å; L155-M213 HydrophobicContact CG-CE 4.3Å; L155-Y216 HydrophobicContact CB-CD2 4.27Å; L155-Y216 HydrophobicContact CB-CE1 4.05Å; L155-Y216 HydrophobicContact CB-CE2 3.75Å; L155-Y216 HydrophobicContact CD2-CD1 4.48Å; L155-Y216 HydrophobicContact CD2-CE1 4.29Å; L155-Y216 PolarHBondContact N-OH 2.82Å; L155-Y216 PolarHBondContact O-OH 2.95Å; L155-T223 PolarHBondContact N-OG1 2.72Å; L155-T223 VanDerWaalsContact O-O 3.13Å; L155-T223 PolarHBondContact O-OG1 3.5Å
156A95Very high93Very high1 Ų144.7 Ų44.71%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-111.8125.1162.900000108.6L137 L138 F140 L175 I248L137-A156 WeakPolarHBondContact CA-O 3.47Å; L138-A156 HydrophobicContact CB-CB 4.49Å; L138-A156 PolarHBondContact N-O 2.82Å; L138-A156 PolarHBondContact O-N 2.88Å; F140-A156 HydrophobicContact CE2-CB 3.59Å; F140-A156 HydrophobicContact CZ-CB 4.31Å; A156-L175 HydrophobicContact CB-CD1 4.02Å; A156-I248 HydrophobicContact CB-CD1 4.28Å
157F94.6Very high93.1Very high56 Ų5637.1 Ų37.125%0.24621%0.211CC..EExtended strand (participates in β ladder)trans-113.9127.1176-179.5-118.6000108.5Q135 L137 L155 Q159 M213Q135-F157 HydrophobicContact CB-CE2 4.29Å; L137-F157 HydrophobicContact CB-CD2 4.46Å; L155-F157 HydrophobicContact CD2-CB 3.72Å; F157-Q159 HydrophobicContact CE1-CB 3.99Å; F157-Q159 HydrophobicContact CE1-CG 3.88Å; F157-Q159 HydrophobicContact CZ-CB 3.91Å; F157-Q159 HydrophobicContact CZ-CG 4.29Å; F157-M213 HydrophobicContact CB-SD 4.09Å; F157-M213 HydrophobicContact CD1-SD 4.2Å; F157-M213 HydrophobicContact CD2-SD 4.37Å; F157-M213 HydrophobicContact CG-SD 3.97Å
158V93.9Very high93.3Very high16 Ų1637.8 Ų37.810%0.09721%0.214CC..EExtended strand (participates in β ladder)trans-126.2130.9174.7-1750000108.1Q135 L136 M169 I171 L225Q135-V158 CarbonylContact C-O 3.59Å; Q135-V158 WeakPolarHBondContact CA-O 3.5Å; L136-V158 PolarHBondContact N-O 2.85Å; L136-V158 PolarHBondContact O-N 3.38Å; V158-M169 HydrophobicContact CG1-CE 4.23Å; V158-I171 HydrophobicContact CB-CD1 4.31Å; V158-I171 HydrophobicContact CG1-CD1 3.66Å; V158-I171 HydrophobicContact CG1-CG1 4.12Å; V158-I171 HydrophobicContact CG1-CG2 4.36Å; V158-I171 HydrophobicContact CG2-CG2 4.4Å; V158-L225 HydrophobicContact CG2-CD2 3.54Å
159Q93.3Very high93.4Very high125 Ų12537.9 Ų37.958%0.58421%0.214SC*.EExtended strand (participates in β ladder)trans-132.8139.5174.162179.7-8.900109.8I134 Q135 F157I134-Q159 CarbonylContact O-C 3.5Å; I134-Q159 VanDerWaalsContact O-CA 3.31Å; I134-Q159 WeakPolarHBondContact O-CA 3.39Å; Q135-Q159 HydrophobicContact CG-CB 4.16Å; F157-Q159 HydrophobicContact CE1-CB 3.99Å; F157-Q159 HydrophobicContact CE1-CG 3.88Å; F157-Q159 HydrophobicContact CZ-CB 3.91Å; F157-Q159 HydrophobicContact CZ-CG 4.29Å
160H93.2Very high93.5Very high52 Ų5238.8 Ų38.824%0.24122%0.215CC..EExtended strand (participates in β ladder)trans-148.8141.8173.8-174.669.9000110.1S133 I134 M169 L230 W232S133-H160 CarbonylContact C-O 3.24Å; S133-H160 WeakPolarHBondContact CA-O 3.31Å; S133-H160 WeakPolarHBondContact CB-O 3.27Å; I134-H160 PolarHBondContact N-O 3.06Å; I134-H160 PolarHBondContact O-N 3.19Å; H160-M169 HydrophobicContact CB-CE 3.43Å; H160-M169 VanDerWaalsContact CB-CE 3.43Å; H160-L230 HydrophobicContact CB-CD1 3.7Å; H160-W232 AromaticContact CD2-CD2 3.96Å; H160-W232 AromaticContact CD2-CE3 3.5Å; H160-W232 VanDerWaalsContact CD2-CE3 3.5Å; H160-W232 AromaticContact CD2-CZ3 3.9Å; H160-W232 AromaticContact NE2-CD2 3.96Å; H160-W232 AromaticContact NE2-CE3 3.95Å; H160-W232 AromaticContact NE2-CG 4Å
161S92.7Very high93.6Very high93 Ų9338.8 Ų38.865%0.6522%0.215SC*.EExtended strand (participates in β ladder)trans-134.3131175.557.60000108.8
162S91.4Very high93.6Very high21 Ų2138 Ų3815%0.14721%0.21CC..EExtended strand (participates in β ladder)trans-125.1141.7175.5178.20000109.4Y132 V164 W232Y132-S162 PolarHBondContact O-N 2.99Å; Y132-S162 VanDerWaalsContact O-O 3.12Å; S162-V164 PolarHBondContact O-N 3.2Å; S162-V164 PolarHBondContact OG-N 3.12Å; S162-V164 PolarHBondContact OG-O 3.09Å; S162-W232 PolarHBondContact OG-NE1 2.79Å
163P88.1Confident93.6Very high115 Ų11537.9 Ų37.975%0.74721%0.21SC*.EExtended strand (participates in β ladder)trans-70.6-13.3171.629.4-33.5000112.5
164V91Very high93.6Very high72 Ų7239 Ų3944%0.43622%0.216SC..EExtended strand (participates in β ladder)trans-109133.7-177.4-174.50000109.9S162 G166 W232 V234S162-V164 PolarHBondContact O-N 3.2Å; S162-V164 PolarHBondContact OG-N 3.12Å; S162-V164 PolarHBondContact OG-O 3.09Å; V164-G166 PolarHBondContact O-N 2.92Å; V164-W232 PolarHBondContact O-NE1 3.16Å; V164-W232 VanDerWaalsContact O-NE1 3.12Å; V164-V234 HydrophobicContact CB-CG1 4.32Å; V164-V234 HydrophobicContact CG1-CB 4.37Å; V164-V234 HydrophobicContact CG1-CG1 3.68Å
165P90.7Very high93.7Very high48 Ų4839 Ų3931%0.31222%0.216SC..EExtended strand (participates in β ladder)trans-61.4129.6-178.627-37.1000111.8H130 V131 Y132H130-P165 HydrophobicContact CB-CB 3.74Å; V131-P165 WeakPolarHBondContact O-CA 3.18Å; Y132-P165 HydrophobicContact CE1-CB 4.41Å
166G90.3Very high93.8Very high2 Ų242.5 Ų42.52%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-90148.2-178.500000113V131 V164 W232 F242V131-G166 PolarHBondContact O-N 3.28Å; V164-G166 PolarHBondContact O-N 2.92Å; G166-W232 VanDerWaalsContact N-CZ2 3.27Å; G166-F242 WeakPolarHBondContact O-CD2 3.46Å
167A92.7Very high93.8Very high8 Ų843.8 Ų43.87%0.06624%0.235CC..EExtended strand (participates in β ladder)trans-100.9-44.4168.300000111.1T233 R236 F242 E243A167-T233 PolarHBondContact N-O 2.77Å; A167-R236 HydrophobicContact CB-CB 3.73Å; A167-R236 HydrophobicContact CB-CG 4.26Å; A167-F242 WeakPolarHBondContact O-CA 3.4Å; A167-F242 VanDerWaalsContact O-CD2 3.28Å; A167-F242 WeakPolarHBondContact O-CD2 3.35Å; A167-E243 PolarHBondContact O-N 2.86Å; A167-E243 VanDerWaalsContact O-N 3.08Å
168K94.4Very high93.8Very high93 Ų9344.6 Ų44.640%0.40424%0.24SC..EExtended strand (participates in β ladder)trans-141.4144.8-179.4-31.2-178.7169.1-151.10111.9T233 E243K168-T233 WeakPolarHBondContact CA-OG1 3.19Å; K168-T233 WeakPolarHBondContact CB-OG1 3.15Å; K168-T233 WeakPolarHBondContact CG-OG1 3.16Å; K168-T233 PolarHBondContact N-O 2.86Å; K168-T233 PolarHBondContact N-OG1 2.87Å; K168-T233 PolarHBondContact O-N 2.85Å; K168-T233 PolarHBondContact O-OG1 3.09Å; K168-E243 CarbonylContact C-O 3.55Å; K168-E243 WeakPolarHBondContact CA-O 3.35Å; K168-E243 HydrophobicContact CB-CB 4.02Å; K168-E243 HydrophobicContact CD-CB 4.31Å; K168-E243 VanDerWaalsContact CD-OE2 3.25Å; K168-E243 WeakPolarHBondContact CD-OE2 3.31Å; K168-E243 VanDerWaalsContact CE-CD 3.49Å; K168-E243 WeakPolarHBondContact CE-OE1 3.24Å; K168-E243 WeakPolarHBondContact CE-OE2 3.22Å; K168-E243 HydrophobicContact CG-CB 3.99Å; K168-E243 HydrophobicContact CG-CG 4.5Å; K168-E243 IonicContact NZ-OE1 3.86Å; K168-E243 PolarHBondContact NZ-OE1 3.36Å; K168-E243 IonicContact NZ-OE2 2.74Å; K168-E243 PolarHBondContact NZ-OE2 2.83Å
169M94.5Very high93.8Very high2 Ų245.9 Ų45.91%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-122.8122.8173.8175-174.9-154.400109.6I134 V158 H160 I171 L230 W232 F242 E243 L244 N245I134-M169 HydrophobicContact CB-SD 4.14Å; I134-M169 HydrophobicContact CD1-SD 3.93Å; I134-M169 HydrophobicContact CG2-SD 4.11Å; V158-M169 HydrophobicContact CG1-CE 4.23Å; H160-M169 HydrophobicContact CB-CE 3.43Å; H160-M169 VanDerWaalsContact CB-CE 3.43Å; M169-I171 HydrophobicContact CE-CD1 3.58Å; M169-I171 HydrophobicContact CE-CG1 3.73Å; M169-I171 HydrophobicContact CG-CD1 4.04Å; M169-I171 HydrophobicContact CG-CG1 3.98Å; M169-I171 HydrophobicContact SD-CD1 3.74Å; M169-I171 HydrophobicContact SD-CG1 4.22Å; M169-L230 HydrophobicContact CE-CD1 3.52Å; M169-L230 HydrophobicContact CE-CD2 4.43Å; M169-L230 HydrophobicContact CE-CG 4.02Å; M169-W232 HydrophobicContact CB-CE3 4.08Å; M169-W232 HydrophobicContact CB-CZ3 4.13Å; M169-W232 HydrophobicContact CG-CE3 4.37Å; M169-W232 HydrophobicContact SD-CZ3 4.44Å; M169-F242 HydrophobicContact CB-CE1 4.1Å; M169-F242 HydrophobicContact CB-CZ 3.62Å; M169-E243 PolarHBondContact N-O 3.26Å; M169-L244 WeakPolarHBondContact O-CA 3.28Å; M169-L244 HydrophobicContact SD-CD1 4.29Å; M169-N245 PolarHBondContact O-N 3.41Å
170F96.4Very high93.8Very high66 Ų6646.1 Ų46.129%0.28924%0.241SC..EExtended strand (participates in β ladder)trans-108.6130.3170.4177.1-100000109.7L230 V231 N245 E247F170-L230 WeakPolarHBondContact O-CA 3.47Å; F170-V231 HydrophobicContact CB-CB 4.28Å; F170-V231 HydrophobicContact CD1-CG2 4.36Å; F170-V231 PolarHBondContact N-O 2.85Å; F170-V231 PolarHBondContact O-N 2.9Å; F170-N245 CarbonylContact C-O 3.51Å; F170-N245 VanDerWaalsContact CA-O 3.3Å; F170-N245 WeakPolarHBondContact CA-O 3.3Å; F170-N245 HydrophobicContact CD2-CB 3.96Å; F170-E247 HydrophobicContact CE2-CG 4.07Å; F170-E247 HydrophobicContact CZ-CG 4.38Å; F170-E247 WeakPolarHBondContact CZ-OE2 3.33Å
171I95.9Very high93.7Very high1 Ų147.2 Ų47.21%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-126.9127.8176.8-58.6147.5000107.6V158 M169 L225 P228 V229 L230 N245 A246 E247V158-I171 HydrophobicContact CB-CD1 4.31Å; V158-I171 HydrophobicContact CG1-CD1 3.66Å; V158-I171 HydrophobicContact CG1-CG1 4.12Å; V158-I171 HydrophobicContact CG1-CG2 4.36Å; V158-I171 HydrophobicContact CG2-CG2 4.4Å; M169-I171 HydrophobicContact CE-CD1 3.58Å; M169-I171 HydrophobicContact CE-CG1 3.73Å; M169-I171 HydrophobicContact CG-CD1 4.04Å; M169-I171 HydrophobicContact CG-CG1 3.98Å; M169-I171 HydrophobicContact SD-CD1 3.74Å; M169-I171 HydrophobicContact SD-CG1 4.22Å; I171-L225 HydrophobicContact CG2-CD2 3.91Å; I171-P228 HydrophobicContact CG2-CB 4.39Å; I171-V229 CarbonylContact C-O 3.57Å; I171-V229 WeakPolarHBondContact CA-O 3.26Å; I171-L230 HydrophobicContact CG1-CG 4.45Å; I171-N245 PolarHBondContact N-O 3.5Å; I171-A246 HydrophobicContact CB-CB 4.42Å; I171-A246 CarbonylContact O-C 3.55Å; I171-A246 WeakPolarHBondContact O-CA 3.43Å; I171-E247 PolarHBondContact O-N 2.81Å
172S96.3Very high93.8Very high10 Ų1043.4 Ų43.47%0.0722%0.22CC..EExtended strand (participates in β ladder)trans-132.1122.1172.1-170.90000109.7P228 V229 E247 R249S172-P228 CarbonylContact O-C 3.47Å; S172-P228 VanDerWaalsContact O-CA 3.31Å; S172-P228 WeakPolarHBondContact O-CA 3.33Å; S172-V229 PolarHBondContact N-O 3.24Å; S172-V229 PolarHBondContact O-N 3.02Å; S172-E247 CarbonylContact C-O 3.55Å; S172-E247 VanDerWaalsContact CA-O 3.28Å; S172-E247 WeakPolarHBondContact CA-O 3.49Å; S172-E247 PolarHBondContact OG-OE2 3.14Å; S172-R249 PolarHBondContact OG-NH1 2.86Å
173G95.6Very high93.9Very high0 Ų042.6 Ų42.60%022%0.215CC..EExtended strand (participates in β ladder)trans-160172.5-176.100000113.8E247 I248 R249G173-E247 PolarHBondContact N-O 3.08Å; G173-I248 WeakPolarHBondContact O-CA 3.41Å; G173-R249 PolarHBondContact O-N 3.14Å
174D96.5Very high94.1Very high34 Ų3439.6 Ų39.618%0.18220%0.195CC..EExtended strand (participates in β ladder)trans-103.4127.4-177.4-71.29.3000110.2R176 L225 S226 R249 P251D174-R176 HydrophobicContact CB-CG 4.14Å; D174-R176 PolarHBondContact O-N 2.64Å; D174-R176 VanDerWaalsContact O-N 3.09Å; D174-R176 IonicContact OD2-NE 2.72Å; D174-R176 IonicContact OD2-NH2 2.95Å; D174-L225 CarbonylContact O-C 3.59Å; D174-L225 WeakPolarHBondContact O-CA 3.41Å; D174-S226 PolarHBondContact N-O 3.47Å; D174-S226 VanDerWaalsContact N-O 3.14Å; D174-S226 PolarHBondContact O-N 3.09Å; D174-R249 IonicContact OD1-CZ 3.43Å; D174-R249 IonicContact OD1-NE 3.97Å; D174-R249 PolarHBondContact OD1-NE 3.03Å; D174-R249 IonicContact OD1-NH2 3.5Å; D174-R249 PolarHBondContact OD1-NH2 3.19Å; D174-P251 HydrophobicContact CB-CG 4.08Å
175L96.2Very high94.1Very high2 Ų239.9 Ų39.91%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-7698.3173-173.167.9000109.6V61 F140 A156 T223 I248 R249 Y250V61-L175 HydrophobicContact CG1-CD2 3.87Å; F140-L175 HydrophobicContact CD1-CD2 4.48Å; F140-L175 HydrophobicContact CD2-CD2 4.18Å; F140-L175 HydrophobicContact CG-CD2 4.17Å; A156-L175 HydrophobicContact CB-CD1 4.02Å; L175-T223 HydrophobicContact CG-CG2 4.42Å; L175-I248 HydrophobicContact CB-CG2 3.72Å; L175-R249 PolarHBondContact N-O 3.04Å; L175-Y250 HydrophobicContact CB-CD1 4.05Å; L175-Y250 HydrophobicContact CB-CE1 4.34Å; L175-Y250 HydrophobicContact CD2-CD1 4.06Å; L175-Y250 HydrophobicContact CD2-CE1 3.89Å
176R96Very high94.1Very high76 Ų7646.9 Ų46.929%0.28721%0.212SC..EExtended strand (participates in β ladder)trans-99.5138.7-174.9-69.9-67.5-173.1174.8-8.3113.9D174 T223 V224 S226 L252 E253D174-R176 HydrophobicContact CB-CG 4.14Å; D174-R176 PolarHBondContact O-N 2.64Å; D174-R176 VanDerWaalsContact O-N 3.09Å; D174-R176 IonicContact OD2-NE 2.72Å; D174-R176 IonicContact OD2-NH2 2.95Å; R176-T223 CarbonylContact O-C 3.57Å; R176-T223 WeakPolarHBondContact O-CA 3.41Å; R176-V224 PolarHBondContact N-O 2.56Å; R176-V224 PolarHBondContact O-N 3.28Å; R176-S226 VanDerWaalsContact CG-CB 3.48Å; R176-L252 PolarHBondContact NH1-O 2.88Å; R176-E253 WeakPolarHBondContact CA-OE1 3.28Å; R176-E253 VanDerWaalsContact CD-OE1 3.28Å; R176-E253 WeakPolarHBondContact CD-OE1 3.31Å; R176-E253 VanDerWaalsContact CD-OE2 3.28Å; R176-E253 WeakPolarHBondContact CD-OE2 3.44Å; R176-E253 IonicContact CZ-OE2 3.33Å; R176-E253 IonicContact NH1-OE2 2.95Å; R176-E253 PolarHBondContact NH1-OE2 3.37Å
177L95.6Very high94.2Very high27 Ų2748.9 Ų48.914%0.14123%0.233CC..EExtended strand (participates in β ladder)trans-75.8121.1172.1-17572.3000110.9Y142 L144 M152 T223 E253 I255Y142-L177 HydrophobicContact CE1-CD1 4.03Å; L144-L177 HydrophobicContact CD1-CD2 4.35Å; M152-L177 HydrophobicContact CE-CD1 3.43Å; M152-L177 VanDerWaalsContact CE-CD1 3.43Å; L177-T223 HydrophobicContact CD1-CG2 4.39Å; L177-E253 HydrophobicContact CB-CG 4.45Å; L177-E253 PolarHBondContact N-OE1 3.43Å; L177-I255 HydrophobicContact CD2-CD1 4.42Å; L177-I255 HydrophobicContact CD2-CG1 4.07Å
178Q94.6Very high94.2Very high74 Ų7454 Ų5435%0.34626%0.258SS..EExtended strand (participates in β ladder)trans-100.8117.4170-172.4177.410.300110.1S222 V224Q178-S222 WeakPolarHBondContact CA-O 3.48Å; Q178-S222 PolarHBondContact N-O 3.06Å; Q178-S222 PolarHBondContact O-N 3.37Å; Q178-S222 VanDerWaalsContact O-O 3.14Å; Q178-V224 HydrophobicContact CB-CG2 4.41Å
179Q93.6Very high94.1Very high43 Ų4351.8 Ų51.820%0.20125%0.249CC..EExtended strand (participates in β ladder)trans-117122.6-177179.917630.400111I181 P182 L221 S256Q179-I181 WeakPolarHBondContact CG-O 3.48Å; Q179-I181 PolarHBondContact NE2-O 3.37Å; Q179-P182 VanDerWaalsContact NE2-CA 3.25Å; Q179-L221 HydrophobicContact CB-CD2 4.08Å; Q179-L221 HydrophobicContact CG-CD2 3.77Å; Q179-S256 PolarHBondContact NE2-O 3.03Å; Q179-S256 PolarHBondContact NE2-OG 2.88Å; Q179-S256 PolarHBondContact OE1-O 3.11Å; Q179-S256 PolarHBondContact OE1-OG 3.36Å
180R93.1Very high94Very high130 Ų13055.8 Ų55.849%0.49127%0.271SS..SBendtrans-90.2-32.7174.5-64.2-174.2172.51704.1113.1Q217 N220R180-Q217 PolarHBondContact NH1-O 2.91Å; R180-Q217 PolarHBondContact NH2-O 2.86Å; R180-N220 PolarHBondContact N-O 3.35Å
181I92.8Very high93.8Very high74 Ų7456.8 Ų56.838%0.37928%0.282SS..SBendtrans-127.9133.8-177.2-56-177000109.2Q179 L183 N220Q179-I181 WeakPolarHBondContact CG-O 3.48Å; Q179-I181 PolarHBondContact NE2-O 3.37Å; I181-L183 PolarHBondContact O-N 3.26Å; I181-N220 HydrophobicContact CB-CB 4.49Å; I181-N220 HydrophobicContact CD1-CB 4.28Å; I181-N220 WeakPolarHBondContact CD1-ND2 3.34Å; I181-N220 WeakPolarHBondContact CD1-OD1 3.27Å; I181-N220 HydrophobicContact CG1-CB 4.28Å
182P94.1Very high93.6Very high13 Ų1358.4 Ų58.48%0.08429%0.289CS..PPolyproline II helixtrans-59.6137.5176.125.2-35.2000111.2R52 Q179 R258R52-P182 HydrophobicContact CG-CG 4.32Å; Q179-P182 VanDerWaalsContact NE2-CA 3.25Å; P182-R258 HydrophobicContact CB-CG 3.99Å; P182-R258 HydrophobicContact CG-CG 3.79Å
183L94.3Very high93.5Very high5 Ų562.1 Ų62.13%0.02631%0.308CS..BIsolated β-bridgetrans-65.6156.2177.8-74.4174.9000110.7L144 V150 I181 L221 I255 S256 Y257 R258L144-L183 HydrophobicContact CD1-CD1 4.32Å; V150-L183 HydrophobicContact CG2-CD1 3.72Å; V150-L183 HydrophobicContact CG2-CD2 3.89Å; V150-L183 HydrophobicContact CG2-CG 4.48Å; I181-L183 PolarHBondContact O-N 3.26Å; L183-L221 HydrophobicContact CD2-CD1 3.58Å; L183-L221 HydrophobicContact CD2-CD2 4.22Å; L183-L221 HydrophobicContact CD2-CG 4.46Å; L183-I255 HydrophobicContact CD1-CG2 3.66Å; L183-S256 PolarHBondContact N-O 3.19Å; L183-Y257 CarbonylContact O-C 3.59Å; L183-Y257 WeakPolarHBondContact O-CA 3.42Å; L183-Y257 WeakPolarHBondContact O-CB 3.38Å; L183-R258 PolarHBondContact O-N 3.27Å
184P92.3Very high93.3Very high51 Ų5166.1 Ų66.133%0.33133%0.332SS..PPolyproline II helixtrans-64.9159.7167.229.5-33.8000110.8R186P184-R186 VanDerWaalsContact C-N 3.25Å; P184-R186 PolarHBondContact O-N 3.43Å
185H90.1Very high92.9Very high79 Ų7967.6 Ų67.637%0.36635%0.345SS..SBendtrans-69.2-22.3178.856.8-76.1000113.6Y257 R258H185-Y257 HydrophobicContact CB-CD2 4.05Å; H185-Y257 HydrophobicContact CB-CE2 4.4Å; H185-R258 VanDerWaalsContact CB-O 3.26Å; H185-R258 WeakPolarHBondContact CB-O 3.33Å; H185-R258 PolarHBondContact N-O 2.98Å
186R90.8Very high92.6Very high194 Ų19468.3 Ų68.373%0.73235%0.349SS*.SBendtrans-154.3164-177.2-73.3-177.1178.7177.5-2.4110.2P184P184-R186 VanDerWaalsContact C-N 3.25Å; P184-R186 PolarHBondContact O-N 3.43Å
187G92.1Very high92.3Very high45 Ų4564.8 Ų64.846%0.46434%0.336SS..SBendtrans113.416817300000112.9S148 T149S148-G187 CarbonylContact C-O 3.55Å; S148-G187 PolarHBondContact OG-O 3.36Å; T149-G187 PolarHBondContact N-O 2.82Å
188L93.6Very high91.8Very high116 Ų11667.2 Ų67.261%0.60735%0.349SS*.EExtended strand (participates in β ladder)trans-87.9127173-179.866.8000109.2T149 V151 N190T149-L188 HydrophobicContact CG2-CD1 3.9Å; T149-L188 CarbonylContact O-C 3.6Å; T149-L188 WeakPolarHBondContact O-CA 3.29Å; V151-L188 HydrophobicContact CG2-CD1 4.47Å; L188-N190 HydrophobicContact CD2-CB 4.48Å; L188-N190 HydrophobicContact CG-CB 4.28Å
189H91.6Very high91.2Very high45 Ų4564.6 Ų64.621%0.20834%0.343CS..EExtended strand (participates in β ladder)trans-12089.9176.4-168.6-83.6000109.1T149 V150 V151T149-H189 PolarHBondContact O-N 3.4Å; V150-H189 WeakPolarHBondContact CA-O 3.31Å; V150-H189 HydrophobicContact CG2-CB 4.22Å; V151-H189 PolarHBondContact N-O 3.32Å; V151-H189 VanDerWaalsContact N-O 3.09Å
190N92.7Very high90.7Very high87 Ų8766.2 Ų66.247%0.46536%0.363SS..  trans-110.512.1-176.466.4-12.6000113.2L188 Y192 N193L188-N190 HydrophobicContact CD2-CB 4.48Å; L188-N190 HydrophobicContact CG-CB 4.28Å; N190-Y192 PolarHBondContact O-N 2.72Å; N190-N193 HydrophobicContact CB-CB 4.18Å; N190-N193 VanDerWaalsContact O-CB 3.25Å; N190-N193 WeakPolarHBondContact O-CB 3.47Å; N190-N193 PolarHBondContact O-N 2.99Å
191T91.8Very high90.4Very high87 Ų8760.7 Ų60.753%0.53434%0.344SS..THydrogen-bonded Turntrans-53.7-31.6-178-44.30000113.2
192Y92.8Very high90Very high34 Ų3463 Ų6313%0.13336%0.357CS..THydrogen-bonded Turntrans-105.716.7-179.6-55.6-52.6000112.9M152 Q153 N190 V194 R219 N220 L221M152-Y192 WeakPolarHBondContact CA-O 3.49Å; Q153-Y192 PolarHBondContact N-O 3.39Å; N190-Y192 PolarHBondContact O-N 2.72Å; Y192-V194 PolarHBondContact O-N 3.39Å; Y192-R219 HydrophobicContact CD1-CB 4.33Å; Y192-R219 HydrophobicContact CD1-CG 3.87Å; Y192-R219 HydrophobicContact CE1-CB 3.84Å; Y192-R219 HydrophobicContact CE1-CG 3.64Å; Y192-R219 HydrophobicContact CE2-CB 4.29Å; Y192-N220 PolarHBondContact OH-N 3.43Å; Y192-L221 HydrophobicContact CD2-CB 4.05Å; Y192-L221 HydrophobicContact CD2-CD1 4.41Å; Y192-L221 HydrophobicContact CE2-CB 3.96Å; Y192-L221 HydrophobicContact CE2-CD1 4.35Å; Y192-L221 HydrophobicContact CE2-CG 4.38Å
193N93.3Very high89.5Confident89 Ų8969.7 Ų69.748%0.47639%0.385SS..  trans-80.652.6169.4-16930.2000110.7V151 N190V151-N193 HydrophobicContact CG1-CB 4.28Å; N190-N193 HydrophobicContact CB-CB 4.18Å; N190-N193 VanDerWaalsContact O-CB 3.25Å; N190-N193 WeakPolarHBondContact O-CB 3.47Å; N190-N193 PolarHBondContact O-N 2.99Å
194V91Very high88.9Confident84 Ų8472.8 Ų72.851%0.50941%0.411SS..SBendtrans-133.6146.3178.7-65.70000107.9Y192 V196Y192-V194 PolarHBondContact O-N 3.39Å; V194-V196 PolarHBondContact O-N 3.01Å
195S89.6Confident88.5Confident64 Ų6473.9 Ų73.945%0.44842%0.42SS..  trans-58.4127-178.655.30000111.4Q153 I197Q153-S195 VanDerWaalsContact OE1-CA 3.25Å; S195-I197 VanDerWaalsContact C-N 3.28Å; S195-I197 WeakPolarHBondContact CB-O 3.27Å
196V89.3Confident88.2Confident18 Ų1870.8 Ų70.811%0.10941%0.407CS..SBendtrans-67.7-37.4178.1-179.40000110Q153 L155 V194 I212 Y216Q153-V196 HydrophobicContact CB-CG2 4.14Å; Q153-V196 HydrophobicContact CG-CG2 3.89Å; Q153-V196 WeakPolarHBondContact O-CG2 3.49Å; L155-V196 HydrophobicContact CD1-CB 4.46Å; L155-V196 HydrophobicContact CD1-CG1 3.56Å; V194-V196 PolarHBondContact O-N 3.01Å; V196-I212 HydrophobicContact CG1-CG2 3.9Å; V196-Y216 HydrophobicContact CG1-CD2 3.96Å; V196-Y216 HydrophobicContact CG2-CD2 4.19Å; V196-Y216 HydrophobicContact CG2-CE2 4.31Å
197I88.3Confident88Confident1 Ų161.9 Ų61.91%0.00537%0.374CS..SBendtrans-111.4126.5174.1-57.2174000107.4L68 F85 L137 T139 S195 G199 Y207 I212L68-I197 HydrophobicContact CD1-CD1 4.27Å; F85-I197 HydrophobicContact CD2-CG2 4.11Å; F85-I197 HydrophobicContact CE1-CG2 4.36Å; F85-I197 HydrophobicContact CE2-CB 3.97Å; F85-I197 HydrophobicContact CE2-CD1 3.76Å; F85-I197 HydrophobicContact CE2-CG1 4.47Å; F85-I197 HydrophobicContact CE2-CG2 3.63Å; F85-I197 HydrophobicContact CZ-CB 3.77Å; F85-I197 HydrophobicContact CZ-CD1 4.21Å; F85-I197 HydrophobicContact CZ-CG2 3.76Å; L137-I197 HydrophobicContact CD1-CD1 4.02Å; L137-I197 HydrophobicContact CD2-CD1 3.56Å; L137-I197 HydrophobicContact CG-CD1 4.42Å; T139-I197 HydrophobicContact CG2-CD1 4.44Å; S195-I197 VanDerWaalsContact C-N 3.28Å; S195-I197 WeakPolarHBondContact CB-O 3.27Å; I197-G199 PolarHBondContact O-N 3.26Å; I197-G199 VanDerWaalsContact O-N 3.09Å; I197-Y207 HydrophobicContact CG2-CD1 3.95Å; I197-Y207 HydrophobicContact CG2-CE1 4.08Å; I197-I212 HydrophobicContact CD1-CD1 4.44Å; I197-I212 HydrophobicContact CG1-CD1 4.05Å; I197-I212 HydrophobicContact CG1-CG2 4.15Å
198D85.4Confident87.9Confident78 Ų7862.6 Ų62.642%0.41737%0.367SS..  trans-81.786.5175.6-175.1-2.5000109.9A200 S201 Y207D198-A200 PolarHBondContact O-N 2.95Å; D198-A200 PolarHBondContact OD1-N 2.84Å; D198-S201 PolarHBondContact O-N 2.74Å; D198-S201 PolarHBondContact O-OG 2.96Å; D198-S201 PolarHBondContact OD1-N 2.81Å; D198-Y207 PolarHBondContact O-OH 3.36Å
199G82Confident87.7Confident20 Ų2058.1 Ų58.121%0.20634%0.344CS..THydrogen-bonded Turntrans-66.8-11.1-179.300000115.3H87 I197 Y207H87-G199 PolarHBondContact CD2-O 3.47Å; I197-G199 PolarHBondContact O-N 3.26Å; I197-G199 VanDerWaalsContact O-N 3.09Å; G199-Y207 PolarHBondContact O-OH 2.79Å; G199-Y207 VanDerWaalsContact O-OH 3.12Å
200A84.4Confident87.8Confident76 Ų7661.1 Ų61.163%0.62836%0.36SS*.THydrogen-bonded Turntrans-94-13.7178.600000112.6D198D198-A200 PolarHBondContact O-N 2.95Å; D198-A200 PolarHBondContact OD1-N 2.84Å
201S86.1Confident87.7Confident14 Ų1459 Ų5910%0.09835%0.348CS..  trans-69142.1-179.664.40000112.2D198 S206 Y207D198-S201 PolarHBondContact O-N 2.74Å; D198-S201 PolarHBondContact O-OG 2.96Å; D198-S201 PolarHBondContact OD1-N 2.81Å; S201-S206 WeakPolarHBondContact CB-OG 3.33Å; S201-S206 WeakPolarHBondContact OG-CB 3.36Å; S201-S206 PolarHBondContact OG-OG 3.16Å; S201-Y207 WeakPolarHBondContact O-CE2 3.26Å; S201-Y207 PolarHBondContact O-OH 2.94Å
202L84.4Confident87.8Confident124 Ų12455 Ų5565%0.64932%0.324SS*.  trans-93.5-7.4178.9-60.7174.8000113.2H87H87-L202 WeakPolarHBondContact ND1-CD2 3.28Å
203F83.9Confident87.8Confident153 Ų15354.9 Ų54.967%0.67133%0.325SS*.  trans-90.2138.9-175-60.4-75.1000110.7S205 S206 Y207F203-S205 PolarHBondContact O-N 3.15Å; F203-S206 PolarHBondContact O-N 2.9Å; F203-S206 PolarHBondContact O-OG 3.17Å; F203-Y207 WeakPolarHBondContact O-CD2 3.28Å
204A81.3Confident87.8Confident69 Ų6957.3 Ų57.357%0.5733%0.327SS*.G310 helixtrans-64.3-27.5175.300000112.9M91 S206 Y207 D208M91-A204 HydrophobicContact SD-CB 4.13Å; A204-S206 VanDerWaalsContact C-N 3.28Å; A204-S206 PolarHBondContact O-N 2.75Å; A204-Y207 PolarHBondContact O-N 3.36Å; A204-D208 PolarHBondContact O-N 3.46Å
205S83.8Confident87.9Confident74 Ų7461 Ų6152%0.51733%0.332SS..G310 helixtrans-68-21.8-176.258.20000114.7F203 Y207 N211F203-S205 PolarHBondContact O-N 3.15Å; S205-Y207 VanDerWaalsContact C-N 3.34Å; S205-N211 PolarHBondContact O-ND2 3.45Å
206S84.1Confident88.1Confident15 Ų1558.1 Ų58.111%0.10531%0.311CS..G310 helixtrans-77.2-22.8175.556.20000112.8S201 F203 A204S201-S206 WeakPolarHBondContact CB-OG 3.33Å; S201-S206 WeakPolarHBondContact OG-CB 3.36Å; S201-S206 PolarHBondContact OG-OG 3.16Å; F203-S206 PolarHBondContact O-N 2.9Å; F203-S206 PolarHBondContact O-OG 3.17Å; A204-S206 VanDerWaalsContact C-N 3.28Å; A204-S206 PolarHBondContact O-N 2.75Å
207Y86.6Confident88.3Confident6 Ų660.7 Ų60.72%0.02432%0.322CS..SBendtrans-95.3-2.9176.1-59.1-80.8000112.9F85 L88 M91 I197 D198 G199 S201 F203 A204 S205 L209F85-Y207 HydrophobicContact CB-CE1 3.95Å; F85-Y207 HydrophobicContact CD2-CE1 4.37Å; F85-Y207 HydrophobicContact CG-CE1 4.12Å; L88-Y207 HydrophobicContact CB-CD1 3.83Å; L88-Y207 HydrophobicContact CB-CD2 4.41Å; L88-Y207 HydrophobicContact CB-CE1 3.9Å; L88-Y207 HydrophobicContact CB-CE2 4.48Å; L88-Y207 HydrophobicContact CB-CG 4.09Å; L88-Y207 HydrophobicContact CD1-CD1 4.36Å; L88-Y207 HydrophobicContact CD1-CD2 4.3Å; L88-Y207 HydrophobicContact CD1-CG 3.89Å; L88-Y207 HydrophobicContact CD2-CD1 3.81Å; L88-Y207 HydrophobicContact CD2-CG 4.11Å; L88-Y207 HydrophobicContact CG-CD1 4.22Å; L88-Y207 HydrophobicContact CG-CG 4.25Å; M91-Y207 HydrophobicContact CE-CD2 3.52Å; M91-Y207 HydrophobicContact CE-CE2 3.54Å; I197-Y207 HydrophobicContact CG2-CD1 3.95Å; I197-Y207 HydrophobicContact CG2-CE1 4.08Å; D198-Y207 PolarHBondContact O-OH 3.36Å; G199-Y207 PolarHBondContact O-OH 2.79Å; G199-Y207 VanDerWaalsContact O-OH 3.12Å; S201-Y207 WeakPolarHBondContact O-CE2 3.26Å; S201-Y207 PolarHBondContact O-OH 2.94Å; F203-Y207 WeakPolarHBondContact O-CD2 3.28Å; A204-Y207 PolarHBondContact O-N 3.36Å; S205-Y207 VanDerWaalsContact C-N 3.34Å; Y207-L209 PolarHBondContact O-N 3.25Å
208D89.8Confident88.5Confident61 Ų6166.8 Ų66.833%0.32635%0.351SS..  trans-63.2117.4174.2176.519.8000110.3A204 I210 N211 I212A204-D208 PolarHBondContact O-N 3.46Å; D208-I210 PolarHBondContact O-N 3.03Å; D208-I210 PolarHBondContact OD1-N 2.78Å; D208-I210 VanDerWaalsContact OD1-N 3.16Å; D208-N211 HydrophobicContact CB-CB 4.4Å; D208-N211 PolarHBondContact O-N 2.92Å; D208-N211 VanDerWaalsContact O-N 3.11Å; D208-N211 PolarHBondContact OD2-ND2 2.83Å; D208-N211 VanDerWaalsContact OD2-ND2 3.15Å; D208-I212 WeakPolarHBondContact O-CG1 3.24Å; D208-I212 PolarHBondContact O-N 2.9Å
209L90.5Very high88.9Confident22 Ų2264.2 Ų64.212%0.11534%0.335CS..Hα-helixtrans-55.3-35.8-179-77.2174.1000112.3L68 F70 Q135 L137 Y207 I212 M213L68-L209 HydrophobicContact CD1-CD2 4.41Å; L68-L209 HydrophobicContact CD2-CD1 4.48Å; L68-L209 HydrophobicContact CD2-CD2 3.8Å; L68-L209 HydrophobicContact CD2-CG 4.39Å; F70-L209 HydrophobicContact CD2-CD1 3.72Å; F70-L209 HydrophobicContact CD2-CG 4.37Å; F70-L209 HydrophobicContact CE2-CD1 4.12Å; F70-L209 HydrophobicContact CE2-CG 4.32Å; Q135-L209 HydrophobicContact CB-CD1 4.38Å; L137-L209 HydrophobicContact CD1-CD2 3.71Å; Y207-L209 PolarHBondContact O-N 3.25Å; L209-I212 PolarHBondContact O-N 3.26Å; L209-M213 VanDerWaalsContact O-CB 3.31Å; L209-M213 WeakPolarHBondContact O-CB 3.08Å; L209-M213 VanDerWaalsContact O-CG 3.24Å; L209-M213 WeakPolarHBondContact O-CG 3.32Å; L209-M213 PolarHBondContact O-N 3.36Å
210I92.2Very high89.5Confident108 Ų10866.2 Ų66.255%0.55434%0.341SS*.Hα-helixtrans-64.1-47-180-61.3175000110.1D208 M213 R214D208-I210 PolarHBondContact O-N 3.03Å; D208-I210 PolarHBondContact OD1-N 2.78Å; D208-I210 VanDerWaalsContact OD1-N 3.16Å; I210-M213 PolarHBondContact O-N 3.29Å; I210-R214 VanDerWaalsContact O-CB 3.3Å; I210-R214 WeakPolarHBondContact O-CB 3.29Å; I210-R214 PolarHBondContact O-N 2.84Å
211N92.2Very high90Very high41 Ų4162.9 Ų62.922%0.21931%0.313CS..Hα-helixtrans-67.2-40179.4-70.2-32.8000111.9S205 D208 R214 R215S205-N211 PolarHBondContact O-ND2 3.45Å; D208-N211 HydrophobicContact CB-CB 4.4Å; D208-N211 PolarHBondContact O-N 2.92Å; D208-N211 VanDerWaalsContact O-N 3.11Å; D208-N211 PolarHBondContact OD2-ND2 2.83Å; D208-N211 VanDerWaalsContact OD2-ND2 3.15Å; N211-R214 PolarHBondContact O-N 3Å; N211-R214 PolarHBondContact OD1-NH1 3.49Å; N211-R215 WeakPolarHBondContact O-CB 3.48Å; N211-R215 VanDerWaalsContact O-CG 3.31Å; N211-R215 WeakPolarHBondContact O-CG 3.45Å; N211-R215 PolarHBondContact O-N 2.97Å
212I92.7Very high90.4Very high5 Ų562.2 Ų62.23%0.02631%0.308CS..Hα-helixtrans-61.8-48.9176.4-62.4161.6000109.8L137 L155 V196 I197 D208 L209 R215 Y216L137-I212 HydrophobicContact CD1-CG2 4.3Å; L155-I212 HydrophobicContact CD1-CG2 4.37Å; V196-I212 HydrophobicContact CG1-CG2 3.9Å; I197-I212 HydrophobicContact CD1-CD1 4.44Å; I197-I212 HydrophobicContact CG1-CD1 4.05Å; I197-I212 HydrophobicContact CG1-CG2 4.15Å; D208-I212 WeakPolarHBondContact O-CG1 3.24Å; D208-I212 PolarHBondContact O-N 2.9Å; L209-I212 PolarHBondContact O-N 3.26Å; I212-R215 PolarHBondContact O-N 2.72Å; I212-Y216 VanDerWaalsContact O-CB 3.27Å; I212-Y216 WeakPolarHBondContact O-CB 3.5Å; I212-Y216 PolarHBondContact O-N 3.41Å
213M93.5Very high90.9Very high30 Ų3056.4 Ų56.415%0.14828%0.278CS..Hα-helixtrans-64.7-41.1179.3-70.7-58.69300112.4L137 L155 F157 L209 I210 Y216 Q217L137-M213 HydrophobicContact CD1-CE 4.08Å; L155-M213 HydrophobicContact CD1-CE 3.52Å; L155-M213 HydrophobicContact CD2-CE 3.68Å; L155-M213 HydrophobicContact CD2-SD 4.33Å; L155-M213 HydrophobicContact CG-CE 4.3Å; F157-M213 HydrophobicContact CB-SD 4.09Å; F157-M213 HydrophobicContact CD1-SD 4.2Å; F157-M213 HydrophobicContact CD2-SD 4.37Å; F157-M213 HydrophobicContact CG-SD 3.97Å; L209-M213 VanDerWaalsContact O-CB 3.31Å; L209-M213 WeakPolarHBondContact O-CB 3.08Å; L209-M213 VanDerWaalsContact O-CG 3.24Å; L209-M213 WeakPolarHBondContact O-CG 3.32Å; L209-M213 PolarHBondContact O-N 3.36Å; I210-M213 PolarHBondContact O-N 3.29Å; M213-Y216 PolarHBondContact O-N 3Å; M213-Q217 VanDerWaalsContact O-CB 3.28Å; M213-Q217 WeakPolarHBondContact O-CB 3.4Å; M213-Q217 WeakPolarHBondContact O-CG 3.19Å; M213-Q217 PolarHBondContact O-N 3.18Å
214R93.9Very high91.4Very high141 Ų14151.4 Ų51.453%0.53226%0.259SS..Hα-helixtrans-58.2-53.2175.2-174.1-178.4-63.5142.22111.4I210 N211 Y216 Q217 E218I210-R214 VanDerWaalsContact O-CB 3.3Å; I210-R214 WeakPolarHBondContact O-CB 3.29Å; I210-R214 PolarHBondContact O-N 2.84Å; N211-R214 PolarHBondContact O-N 3Å; N211-R214 PolarHBondContact OD1-NH1 3.49Å; R214-Y216 VanDerWaalsContact C-N 3.3Å; R214-Y216 PolarHBondContact O-N 3.03Å; R214-Q217 PolarHBondContact O-N 3.43Å; R214-E218 WeakPolarHBondContact O-CG 3.16Å; R214-E218 PolarHBondContact O-N 3.28Å
215R92.4Very high92Very high160 Ų16049.3 Ų49.360%0.60424%0.239SC*.Hα-helixtrans-61.9-37.7179.1-70.3175.6-176.81762.1112.4N211 I212N211-R215 WeakPolarHBondContact O-CB 3.48Å; N211-R215 VanDerWaalsContact O-CG 3.31Å; N211-R215 WeakPolarHBondContact O-CG 3.45Å; N211-R215 PolarHBondContact O-N 2.97Å; I212-R215 PolarHBondContact O-N 2.72Å
216Y93.9Very high92.5Very high4 Ų448.7 Ų48.72%0.01623%0.234CC..Hα-helixtrans-69.7-41.1178.7-173.8-107.4000112L155 V196 I212 M213 R214 E218 R219 T223L155-Y216 HydrophobicContact CB-CD2 4.27Å; L155-Y216 HydrophobicContact CB-CE1 4.05Å; L155-Y216 HydrophobicContact CB-CE2 3.75Å; L155-Y216 HydrophobicContact CD2-CD1 4.48Å; L155-Y216 HydrophobicContact CD2-CE1 4.29Å; L155-Y216 PolarHBondContact N-OH 2.82Å; L155-Y216 PolarHBondContact O-OH 2.95Å; V196-Y216 HydrophobicContact CG1-CD2 3.96Å; V196-Y216 HydrophobicContact CG2-CD2 4.19Å; V196-Y216 HydrophobicContact CG2-CE2 4.31Å; I212-Y216 VanDerWaalsContact O-CB 3.27Å; I212-Y216 WeakPolarHBondContact O-CB 3.5Å; I212-Y216 PolarHBondContact O-N 3.41Å; M213-Y216 PolarHBondContact O-N 3Å; R214-Y216 VanDerWaalsContact C-N 3.3Å; R214-Y216 PolarHBondContact O-N 3.03Å; Y216-E218 VanDerWaalsContact C-N 3.3Å; Y216-E218 PolarHBondContact O-N 3.01Å; Y216-R219 VanDerWaalsContact O-CB 3.31Å; Y216-R219 WeakPolarHBondContact O-CB 3.44Å; Y216-R219 WeakPolarHBondContact O-CG 3.36Å; Y216-R219 PolarHBondContact O-N 2.93Å; Y216-T223 WeakPolarHBondContact CE1-O 3.34Å; Y216-T223 PolarHBondContact OH-N 2.71Å; Y216-T223 PolarHBondContact OH-O 3.21Å; Y216-T223 PolarHBondContact OH-OG1 3.31Å
217Q92.3Very high92.6Very high72 Ų7250.7 Ų50.734%0.33626%0.258SS..Hα-helixtrans-73.5-16.3177.7-70.7-65.6-24.400113.4R180 M213 R214R180-Q217 PolarHBondContact NH1-O 2.91Å; R180-Q217 PolarHBondContact NH2-O 2.86Å; M213-Q217 VanDerWaalsContact O-CB 3.28Å; M213-Q217 WeakPolarHBondContact O-CB 3.4Å; M213-Q217 WeakPolarHBondContact O-CG 3.19Å; M213-Q217 PolarHBondContact O-N 3.18Å; R214-Q217 PolarHBondContact O-N 3.43Å
218E93.5Very high92.6Very high129 Ų12953.5 Ų53.560%0.60328%0.277SS*.THydrogen-bonded Turntrans-74.2-17.5171.8-77168.7-173.200112.7R214 Y216R214-E218 WeakPolarHBondContact O-CG 3.16Å; R214-E218 PolarHBondContact O-N 3.28Å; Y216-E218 VanDerWaalsContact C-N 3.3Å; Y216-E218 PolarHBondContact O-N 3.01Å
219R94.3Very high92.7Very high25 Ų2554.7 Ų54.79%0.09429%0.286CS..SBendtrans-64.9147.8179.8-58.5-179.5178.7-168.8-2.2111.4Q153 Y192 Y216 L221Q153-R219 PolarHBondContact O-NH1 3.25Å; Y192-R219 HydrophobicContact CD1-CB 4.33Å; Y192-R219 HydrophobicContact CD1-CG 3.87Å; Y192-R219 HydrophobicContact CE1-CB 3.84Å; Y192-R219 HydrophobicContact CE1-CG 3.64Å; Y192-R219 HydrophobicContact CE2-CB 4.29Å; Y216-R219 VanDerWaalsContact O-CB 3.31Å; Y216-R219 WeakPolarHBondContact O-CB 3.44Å; Y216-R219 WeakPolarHBondContact O-CG 3.36Å; Y216-R219 PolarHBondContact O-N 2.93Å; R219-L221 VanDerWaalsContact C-N 3.3Å; R219-L221 WeakPolarHBondContact CB-O 3.31Å
220N94Very high92.9Very high62 Ų6256.2 Ų56.233%0.33229%0.294SS..SBendtrans-79-19.1173.9-70-41.8000112.8R180 I181 Y192R180-N220 PolarHBondContact N-O 3.35Å; I181-N220 HydrophobicContact CB-CB 4.49Å; I181-N220 HydrophobicContact CD1-CB 4.28Å; I181-N220 WeakPolarHBondContact CD1-ND2 3.34Å; I181-N220 WeakPolarHBondContact CD1-OD1 3.27Å; I181-N220 HydrophobicContact CG1-CB 4.28Å; Y192-N220 PolarHBondContact OH-N 3.43Å
221L94.1Very high92.9Very high6 Ų654.4 Ų54.43%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-129.6120.9175.9-64.9165.6000107.8V150 M152 Q179 L183 Y192 R219V150-L221 HydrophobicContact CG1-CD1 4.35Å; M152-L221 HydrophobicContact SD-CB 3.98Å; Q179-L221 HydrophobicContact CB-CD2 4.08Å; Q179-L221 HydrophobicContact CG-CD2 3.77Å; L183-L221 HydrophobicContact CD2-CD1 3.58Å; L183-L221 HydrophobicContact CD2-CD2 4.22Å; L183-L221 HydrophobicContact CD2-CG 4.46Å; Y192-L221 HydrophobicContact CD2-CB 4.05Å; Y192-L221 HydrophobicContact CD2-CD1 4.41Å; Y192-L221 HydrophobicContact CE2-CB 3.96Å; Y192-L221 HydrophobicContact CE2-CD1 4.35Å; Y192-L221 HydrophobicContact CE2-CG 4.38Å; R219-L221 VanDerWaalsContact C-N 3.3Å; R219-L221 WeakPolarHBondContact CB-O 3.31Å
222S95.2Very high93Very high0 Ų054.5 Ų54.50%029%0.285CS..EExtended strand (participates in β ladder)trans-141.7165.2176.154.50000109Q178Q178-S222 WeakPolarHBondContact CA-O 3.48Å; Q178-S222 PolarHBondContact N-O 3.06Å; Q178-S222 PolarHBondContact O-N 3.37Å; Q178-S222 VanDerWaalsContact O-O 3.14Å
223T95.5Very high93.1Very high2 Ų257 Ų571%0.01230%0.3CS..EExtended strand (participates in β ladder)trans-110.8149.6165.559.10000110.5Y142 M152 S154 L155 L175 R176 L177 Y216Y142-T223 HydrophobicContact CD2-CG2 3.82Å; Y142-T223 HydrophobicContact CE2-CG2 3.92Å; Y142-T223 HydrophobicContact CG-CG2 4.44Å; M152-T223 HydrophobicContact CE-CG2 4.02Å; S154-T223 WeakPolarHBondContact CB-OG1 3.35Å; S154-T223 PolarHBondContact OG-OG1 2.76Å; L155-T223 PolarHBondContact N-OG1 2.72Å; L155-T223 VanDerWaalsContact O-O 3.13Å; L155-T223 PolarHBondContact O-OG1 3.5Å; L175-T223 HydrophobicContact CG-CG2 4.42Å; R176-T223 CarbonylContact O-C 3.57Å; R176-T223 WeakPolarHBondContact O-CA 3.41Å; L177-T223 HydrophobicContact CD1-CG2 4.39Å; Y216-T223 WeakPolarHBondContact CE1-O 3.34Å; Y216-T223 PolarHBondContact OH-N 2.71Å; Y216-T223 PolarHBondContact OH-O 3.21Å; Y216-T223 PolarHBondContact OH-OG1 3.31Å
224V94.6Very high92.9Very high47 Ų4759.7 Ų59.729%0.28532%0.319SS..EExtended strand (participates in β ladder)trans-136.1149.7175.6-65.50000109.4R176 Q178 S226R176-V224 PolarHBondContact N-O 2.56Å; R176-V224 PolarHBondContact O-N 3.28Å; Q178-V224 HydrophobicContact CB-CG2 4.41Å; V224-S226 PolarHBondContact O-N 3.28Å
225L94.1Very high92.5Very high25 Ų2556.4 Ų56.413%0.13133%0.329CS..EExtended strand (participates in β ladder)trans-80.3111.5171.8-164.371.4000108.4V158 I171 D174 P228 I248V158-L225 HydrophobicContact CG2-CD2 3.54Å; I171-L225 HydrophobicContact CG2-CD2 3.91Å; D174-L225 CarbonylContact O-C 3.59Å; D174-L225 WeakPolarHBondContact O-CA 3.41Å; L225-P228 HydrophobicContact CD2-CB 3.84Å; L225-P228 HydrophobicContact CG-CB 4.26Å; L225-I248 HydrophobicContact CD1-CG1 4.13Å; L225-I248 HydrophobicContact CD1-CG2 4.02Å
226S92.7Very high92.1Very high61 Ų6150.6 Ų50.643%0.42731%0.306SS..EExtended strand (participates in β ladder)trans-100.2140.7-177.5-162.90000111.4D174 R176 V224 P228D174-S226 PolarHBondContact N-O 3.47Å; D174-S226 VanDerWaalsContact N-O 3.14Å; D174-S226 PolarHBondContact O-N 3.09Å; R176-S226 VanDerWaalsContact CG-CB 3.48Å; V224-S226 PolarHBondContact O-N 3.28Å; S226-P228 VanDerWaalsContact C-CD 3.47Å
227G85.9Confident91.6Very high58 Ų5853.5 Ų53.560%0.59833%0.331SS*.EExtended strand (participates in β ladder)trans53.244.9-177.900000115.3V229G227-V229 PolarHBondContact O-N 2.84Å
228P87.9Confident90.8Very high65 Ų6556.7 Ų56.742%0.42235%0.351SS..EExtended strand (participates in β ladder)trans-68.3119.8-179.429.4-33.6000110.8I171 S172 L225 S226I171-P228 HydrophobicContact CG2-CB 4.39Å; S172-P228 CarbonylContact O-C 3.47Å; S172-P228 VanDerWaalsContact O-CA 3.31Å; S172-P228 WeakPolarHBondContact O-CA 3.33Å; L225-P228 HydrophobicContact CD2-CB 3.84Å; L225-P228 HydrophobicContact CG-CB 4.26Å; S226-P228 VanDerWaalsContact C-CD 3.47Å
229V91.9Very high90.1Very high85 Ų8553 Ų5352%0.51535%0.348SS..EExtended strand (participates in β ladder)trans-76.6121.7163.1178.50000107.2I171 S172 G227 V231I171-V229 CarbonylContact C-O 3.57Å; I171-V229 WeakPolarHBondContact CA-O 3.26Å; S172-V229 PolarHBondContact N-O 3.24Å; S172-V229 PolarHBondContact O-N 3.02Å; G227-V229 PolarHBondContact O-N 2.84Å; V229-V231 HydrophobicContact CG1-CG2 4.35Å
230L93.2Very high89.8Confident55 Ų5553.6 Ų53.629%0.28836%0.356SS..EExtended strand (participates in β ladder)trans-121.3122.3-179.3-169.8156.4000109.6H160 M169 F170 I171 W232H160-L230 HydrophobicContact CB-CD1 3.7Å; M169-L230 HydrophobicContact CE-CD1 3.52Å; M169-L230 HydrophobicContact CE-CD2 4.43Å; M169-L230 HydrophobicContact CE-CG 4.02Å; F170-L230 WeakPolarHBondContact O-CA 3.47Å; I171-L230 HydrophobicContact CG1-CG 4.45Å; L230-W232 HydrophobicContact CD2-CB 4.45Å
231V94.1Very high89.8Confident70 Ų7053 Ų5342%0.42436%0.355SS..EExtended strand (participates in β ladder)trans-117.9117.9176.3-175.50000108.8F170 V229 T233F170-V231 HydrophobicContact CB-CB 4.28Å; F170-V231 HydrophobicContact CD1-CG2 4.36Å; F170-V231 PolarHBondContact N-O 2.85Å; F170-V231 PolarHBondContact O-N 2.9Å; V229-V231 HydrophobicContact CG1-CG2 4.35Å; V231-T233 HydrophobicContact CG1-CG2 4.17Å
232W94.1Very high89.8Confident43 Ų4352.8 Ų52.816%0.16335%0.354CS..EExtended strand (participates in β ladder)trans-99.8120.9174.2-172.9-101000109.3V131 I134 H160 S162 V164 G166 M169 L230 F242V131-W232 HydrophobicContact CG1-CH2 4.27Å; V131-W232 WeakPolarHBondContact O-CZ2 3.42Å; I134-W232 HydrophobicContact CD1-CH2 4.33Å; I134-W232 HydrophobicContact CD1-CZ3 4.04Å; H160-W232 AromaticContact CD2-CD2 3.96Å; H160-W232 AromaticContact CD2-CE3 3.5Å; H160-W232 VanDerWaalsContact CD2-CE3 3.5Å; H160-W232 AromaticContact CD2-CZ3 3.9Å; H160-W232 AromaticContact NE2-CD2 3.96Å; H160-W232 AromaticContact NE2-CE3 3.95Å; H160-W232 AromaticContact NE2-CG 4Å; S162-W232 PolarHBondContact OG-NE1 2.79Å; V164-W232 PolarHBondContact O-NE1 3.16Å; V164-W232 VanDerWaalsContact O-NE1 3.12Å; G166-W232 VanDerWaalsContact N-CZ2 3.27Å; M169-W232 HydrophobicContact CB-CE3 4.08Å; M169-W232 HydrophobicContact CB-CZ3 4.13Å; M169-W232 HydrophobicContact CG-CE3 4.37Å; M169-W232 HydrophobicContact SD-CZ3 4.44Å; L230-W232 HydrophobicContact CD2-CB 4.45Å; W232-F242 HydrophobicContact CH2-CE2 4.03Å; W232-F242 HydrophobicContact CH2-CZ 4.22Å; W232-F242 HydrophobicContact CZ3-CE2 4.15Å; W232-F242 AromaticContact CZ3-CZ 3.93Å; W232-F242 HydrophobicContact CZ3-CZ 3.93Å
233T93.3Very high89.8Confident56 Ų5655.2 Ų55.234%0.34437%0.365SS..EExtended strand (participates in β ladder)trans-111.5139.3177.761.60000110.2A167 K168 V231A167-T233 PolarHBondContact N-O 2.77Å; K168-T233 WeakPolarHBondContact CA-OG1 3.19Å; K168-T233 WeakPolarHBondContact CB-OG1 3.15Å; K168-T233 WeakPolarHBondContact CG-OG1 3.16Å; K168-T233 PolarHBondContact N-O 2.86Å; K168-T233 PolarHBondContact N-OG1 2.87Å; K168-T233 PolarHBondContact O-N 2.85Å; K168-T233 PolarHBondContact O-OG1 3.09Å; V231-T233 HydrophobicContact CG1-CG2 4.17Å
234V91.1Very high89.8Confident88 Ų8855.1 Ų55.153%0.53337%0.365SS..EExtended strand (participates in β ladder)trans-110.4170.2-177.2-600000110V164V164-V234 HydrophobicContact CB-CG1 4.32Å; V164-V234 HydrophobicContact CG1-CB 4.37Å; V164-V234 HydrophobicContact CG1-CG1 3.68Å
235G83.7Confident89.9Confident72 Ų7254.9 Ų54.974%0.74236%0.362SS*.  trans90.359.3177.900000112.9
236R85.1Confident90Very high37 Ų3753.9 Ų53.914%0.1436%0.357CS..PPolyproline II helixtrans-75.9137176.3-165.6-172.276.7-160.81.9109.6K126 E129 H130 A167 S240K126-R236 PolarHBondContact O-NH2 2.79Å; E129-R236 PolarHBondContact O-NH1 3.24Å; E129-R236 PolarHBondContact O-NH2 2.76Å; H130-R236 PolarHBondContact ND1-NH2 3.49Å; A167-R236 HydrophobicContact CB-CB 3.73Å; A167-R236 HydrophobicContact CB-CG 4.26Å; R236-S240 WeakPolarHBondContact CD-O 3.19Å; R236-S240 WeakPolarHBondContact CG-OG 3.2Å
237A82.1Confident90.2Very high65 Ų6554 Ų5454%0.53735%0.351SS..PPolyproline II helixtrans-75.3151.6169.500000110.5G239 S240A237-G239 PolarHBondContact O-N 3.21Å; A237-S240 PolarHBondContact N-OG 3.18Å; A237-S240 PolarHBondContact O-N 2.98Å; A237-S240 VanDerWaalsContact O-N 3.12Å; A237-S240 PolarHBondContact O-OG 2.94Å
238D76.8Confident90.7Very high139 Ų13951.4 Ų51.474%0.74332%0.323SS*.THydrogen-bonded Turntrans-62129.4177.9-69.6-22.5000110.5S240D238-S240 PolarHBondContact O-N 2.96Å
239G79.2Confident91.1Very high53 Ų5352.9 Ų52.955%0.54632%0.32SS..THydrogen-bonded Turntrans74.3-0.3-177.500000115.8A237A237-G239 PolarHBondContact O-N 3.21Å
240S88.1Confident91.3Very high37 Ų3749.1 Ų49.126%0.25930%0.297SS..PPolyproline II helixtrans-78.2141.5173.376.50000111.1R236 A237 D238R236-S240 WeakPolarHBondContact CD-O 3.19Å; R236-S240 WeakPolarHBondContact CG-OG 3.2Å; A237-S240 PolarHBondContact N-OG 3.18Å; A237-S240 PolarHBondContact O-N 2.98Å; A237-S240 VanDerWaalsContact O-N 3.12Å; A237-S240 PolarHBondContact O-OG 2.94Å; D238-S240 PolarHBondContact O-N 2.96Å
241P92.8Very high91.3Very high49 Ų4947.5 Ų47.532%0.31829%0.29SS..PPolyproline II helixtrans-65.8159.9175.829.7-35.4000111.2H122 L123H122-P241 HydrophobicContact CB-CB 4.14Å; H122-P241 HydrophobicContact CB-CG 4.24Å; L123-P241 CarbonylContact O-C 3.54Å; L123-P241 VanDerWaalsContact O-CA 3.24Å; L123-P241 WeakPolarHBondContact O-CA 2.95Å; L123-P241 VanDerWaalsContact O-CB 3.31Å; L123-P241 WeakPolarHBondContact O-CB 3.46Å
242F93.9Very high91.3Very high2 Ų248.3 Ų48.31%0.00929%0.291CS..EExtended strand (participates in β ladder)trans-79.8128.2166.6176.8-84.3000109.9H122 L123 L125 V131 I134 G166 A167 M169 W232 L244H122-F242 CarbonylContact C-O 3.52Å; H122-F242 WeakPolarHBondContact CA-O 3.25Å; L123-F242 HydrophobicContact CB-CB 4.27Å; L123-F242 PolarHBondContact N-O 2.78Å; L123-F242 PolarHBondContact O-N 2.77Å; L125-F242 HydrophobicContact CD1-CB 3.65Å; V131-F242 HydrophobicContact CB-CD2 4.11Å; V131-F242 HydrophobicContact CB-CE2 4.41Å; V131-F242 HydrophobicContact CG1-CE2 4.47Å; V131-F242 HydrophobicContact CG2-CB 4.47Å; V131-F242 HydrophobicContact CG2-CD2 4.35Å; V131-F242 HydrophobicContact CG2-CG 4.39Å; I134-F242 HydrophobicContact CD1-CD1 3.93Å; I134-F242 HydrophobicContact CD1-CE1 3.05Å; I134-F242 HydrophobicContact CD1-CE2 4.02Å; I134-F242 HydrophobicContact CD1-CZ 3.11Å; I134-F242 HydrophobicContact CG1-CE1 4.49Å; I134-F242 HydrophobicContact CG1-CZ 4.49Å; G166-F242 WeakPolarHBondContact O-CD2 3.46Å; A167-F242 WeakPolarHBondContact O-CA 3.4Å; A167-F242 VanDerWaalsContact O-CD2 3.28Å; A167-F242 WeakPolarHBondContact O-CD2 3.35Å; M169-F242 HydrophobicContact CB-CE1 4.1Å; M169-F242 HydrophobicContact CB-CZ 3.62Å; W232-F242 HydrophobicContact CH2-CE2 4.03Å; W232-F242 HydrophobicContact CH2-CZ 4.22Å; W232-F242 HydrophobicContact CZ3-CE2 4.15Å; W232-F242 AromaticContact CZ3-CZ 3.93Å; W232-F242 HydrophobicContact CZ3-CZ 3.93Å; F242-L244 HydrophobicContact CE1-CB 4.08Å
243E95.3Very high91.3Very high50 Ų5046.9 Ų46.923%0.23429%0.286CS..EExtended strand (participates in β ladder)trans-99.9121.4-177.5-64.5175.6-154.500111.2A167 K168 M169A167-E243 PolarHBondContact O-N 2.86Å; A167-E243 VanDerWaalsContact O-N 3.08Å; K168-E243 CarbonylContact C-O 3.55Å; K168-E243 WeakPolarHBondContact CA-O 3.35Å; K168-E243 HydrophobicContact CB-CB 4.02Å; K168-E243 HydrophobicContact CD-CB 4.31Å; K168-E243 VanDerWaalsContact CD-OE2 3.25Å; K168-E243 WeakPolarHBondContact CD-OE2 3.31Å; K168-E243 VanDerWaalsContact CE-CD 3.49Å; K168-E243 WeakPolarHBondContact CE-OE1 3.24Å; K168-E243 WeakPolarHBondContact CE-OE2 3.22Å; K168-E243 HydrophobicContact CG-CB 3.99Å; K168-E243 HydrophobicContact CG-CG 4.5Å; K168-E243 IonicContact NZ-OE1 3.86Å; K168-E243 PolarHBondContact NZ-OE1 3.36Å; K168-E243 IonicContact NZ-OE2 2.74Å; K168-E243 PolarHBondContact NZ-OE2 2.83Å; M169-E243 PolarHBondContact N-O 3.26Å
244L95.9Very high91.4Very high1 Ų149.5 Ų49.51%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-113118.1172.2-172.4159.8000109.1L69 F119 Q120 L121 I134 L136 M169 F242 A246L69-L244 HydrophobicContact CD1-CD1 4.22Å; F119-L244 HydrophobicContact CD1-CD2 3.94Å; F119-L244 HydrophobicContact CE1-CD2 4.07Å; Q120-L244 CarbonylContact C-O 3.53Å; Q120-L244 WeakPolarHBondContact CA-O 3.45Å; L121-L244 HydrophobicContact CB-CB 4.25Å; L121-L244 HydrophobicContact CD2-CB 4.44Å; L121-L244 PolarHBondContact N-O 3.31Å; L121-L244 PolarHBondContact O-N 3.17Å; I134-L244 HydrophobicContact CG2-CD1 3.95Å; L136-L244 HydrophobicContact CD2-CD1 4.06Å; L136-L244 HydrophobicContact CD2-CD2 3.82Å; M169-L244 WeakPolarHBondContact O-CA 3.28Å; M169-L244 HydrophobicContact SD-CD1 4.29Å; F242-L244 HydrophobicContact CE1-CB 4.08Å; L244-A246 HydrophobicContact CD2-CB 3.98Å
245N96.8Very high91.7Very high42 Ų4245.3 Ų45.323%0.22527%0.272CS..EExtended strand (participates in β ladder)trans-115.2116.1174.2-67.4-27.4000108.8F119 Q120 M169 F170 I171F119-N245 CarbonylContact O-C 3.55Å; F119-N245 WeakPolarHBondContact O-CA 3.23Å; Q120-N245 WeakPolarHBondContact CG-OD1 3.46Å; M169-N245 PolarHBondContact O-N 3.41Å; F170-N245 CarbonylContact C-O 3.51Å; F170-N245 VanDerWaalsContact CA-O 3.3Å; F170-N245 WeakPolarHBondContact CA-O 3.3Å; F170-N245 HydrophobicContact CD2-CB 3.96Å; I171-N245 PolarHBondContact N-O 3.5Å
246A96.3Very high92.2Very high3 Ų343.2 Ų43.23%0.02525%0.246CC..EExtended strand (participates in β ladder)trans-117.6124176.300000110.4F119 I171 L244F119-A246 HydrophobicContact CB-CB 4.24Å; F119-A246 HydrophobicContact CD1-CB 4.28Å; F119-A246 PolarHBondContact N-O 3.33Å; F119-A246 PolarHBondContact O-N 3.18Å; I171-A246 HydrophobicContact CB-CB 4.42Å; I171-A246 CarbonylContact O-C 3.55Å; I171-A246 WeakPolarHBondContact O-CA 3.43Å; L244-A246 HydrophobicContact CD2-CB 3.98Å
247E96.7Very high92.7Very high65 Ų6542 Ų4230%0.30424%0.241SC..EExtended strand (participates in β ladder)trans-110.3113.5173.1-71.2178.8-177.500108.8L116 L117 F170 I171 S172 G173L116-E247 HydrophobicContact CD1-CB 4.23Å; L117-E247 CarbonylContact O-C 3.56Å; L117-E247 WeakPolarHBondContact O-CA 3.41Å; F170-E247 HydrophobicContact CE2-CG 4.07Å; F170-E247 HydrophobicContact CZ-CG 4.38Å; F170-E247 WeakPolarHBondContact CZ-OE2 3.33Å; I171-E247 PolarHBondContact O-N 2.81Å; S172-E247 CarbonylContact C-O 3.55Å; S172-E247 VanDerWaalsContact CA-O 3.28Å; S172-E247 WeakPolarHBondContact CA-O 3.49Å; S172-E247 PolarHBondContact OG-OE2 3.14Å; G173-E247 PolarHBondContact N-O 3.08Å
248I96.8Very high93.3Very high2 Ų245.6 Ų45.61%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-117.5113.4-178.2-59.8176.1000108.3L117 L138 F140 A156 G173 L175 L225 Y250L117-I248 HydrophobicContact CB-CB 4.33Å; L117-I248 HydrophobicContact CD2-CD1 4.32Å; L117-I248 PolarHBondContact N-O 3.33Å; L117-I248 PolarHBondContact O-N 2.87Å; L138-I248 HydrophobicContact CD1-CD1 3.57Å; F140-I248 HydrophobicContact CZ-CD1 3.93Å; A156-I248 HydrophobicContact CB-CD1 4.28Å; G173-I248 WeakPolarHBondContact O-CA 3.41Å; L175-I248 HydrophobicContact CB-CG2 3.72Å; L225-I248 HydrophobicContact CD1-CG1 4.13Å; L225-I248 HydrophobicContact CD1-CG2 4.02Å; I248-Y250 HydrophobicContact CG2-CD1 4.41Å; I248-Y250 HydrophobicContact CG2-CE1 3.94Å
249R96.1Very high94.1Very high97 Ų9739.8 Ų39.837%0.36621%0.211SC..EExtended strand (participates in β ladder)trans-85.6147.3176.8-68.6179.7-66.3-94.9-6.1111D115 L116 S172 G173 D174 L175 P251D115-R249 CarbonylContact O-C 3.55Å; D115-R249 WeakPolarHBondContact O-CA 3.26Å; L116-R249 HydrophobicContact CD1-CG 3.82Å; S172-R249 PolarHBondContact OG-NH1 2.86Å; G173-R249 PolarHBondContact O-N 3.14Å; D174-R249 IonicContact OD1-CZ 3.43Å; D174-R249 IonicContact OD1-NE 3.97Å; D174-R249 PolarHBondContact OD1-NE 3.03Å; D174-R249 IonicContact OD1-NH2 3.5Å; D174-R249 PolarHBondContact OD1-NH2 3.19Å; L175-R249 PolarHBondContact N-O 3.04Å; R249-P251 WeakPolarHBondContact O-CD 3.46Å
250Y95.6Very high94.6Very high5 Ų537.6 Ų37.62%0.0219%0.189CC..  trans-109.981.4176.9-54.9-35.7000109.5V61 L114 D115 L117 F140 L175 I248V61-Y250 HydrophobicContact CB-CD1 4.04Å; V61-Y250 HydrophobicContact CB-CD2 4.02Å; V61-Y250 HydrophobicContact CB-CE1 4.1Å; V61-Y250 HydrophobicContact CB-CE2 4.05Å; V61-Y250 HydrophobicContact CB-CG 3.99Å; V61-Y250 HydrophobicContact CG1-CD1 4Å; V61-Y250 HydrophobicContact CG1-CE1 3.62Å; V61-Y250 HydrophobicContact CG1-CE2 4.15Å; V61-Y250 HydrophobicContact CG1-CG 4.43Å; V61-Y250 HydrophobicContact CG2-CD1 4.2Å; V61-Y250 HydrophobicContact CG2-CG 4.21Å; L114-Y250 HydrophobicContact CB-CD2 4.13Å; L114-Y250 HydrophobicContact CB-CE2 4.13Å; L114-Y250 WeakPolarHBondContact O-CD2 3.31Å; D115-Y250 PolarHBondContact O-N 3.35Å; L117-Y250 HydrophobicContact CB-CE2 4.43Å; L117-Y250 WeakPolarHBondContact CB-OH 3.33Å; F140-Y250 HydrophobicContact CD1-CE1 4.43Å; F140-Y250 WeakPolarHBondContact CD1-OH 3.28Å; F140-Y250 HydrophobicContact CE1-CE1 4.29Å; F140-Y250 VanDerWaalsContact CE1-OH 3.26Å; F140-Y250 WeakPolarHBondContact CE1-OH 3.42Å; L175-Y250 HydrophobicContact CB-CD1 4.05Å; L175-Y250 HydrophobicContact CB-CE1 4.34Å; L175-Y250 HydrophobicContact CD2-CD1 4.06Å; L175-Y250 HydrophobicContact CD2-CE1 3.89Å; I248-Y250 HydrophobicContact CG2-CD1 4.41Å; I248-Y250 HydrophobicContact CG2-CE1 3.94Å
251P93.9Very high94.7Very high22 Ų2241.7 Ų41.714%0.14320%0.202CC..  trans-75.6167.2-174.234.1-39.2000112.4P59 D174 R249P59-P251 WeakPolarHBondContact CD-O 3.38Å; D174-P251 HydrophobicContact CB-CG 4.08Å; R249-P251 WeakPolarHBondContact O-CD 3.46Å
252L94.1Very high94.7Very high86 Ų8649 Ų4945%0.4522%0.223SC..  trans-66.5136.2165.4-179.3147.7000111.1E56 R176E56-L252 HydrophobicContact CB-CD1 4.33Å; E56-L252 HydrophobicContact CB-CD2 3.61Å; E56-L252 HydrophobicContact CB-CG 4.29Å; E56-L252 HydrophobicContact CG-CD2 3.66Å; R176-L252 PolarHBondContact NH1-O 2.88Å
253E94.3Very high94.5Very high13 Ų1350.7 Ų50.76%0.06123%0.231CC..EExtended strand (participates in β ladder)trans-114.8142.9-173-65-72.6-150.800113.5E56 E57 P59 R176 L177 I255E56-E253 CarbonylContact C-O 3.58Å; E56-E253 VanDerWaalsContact CA-O 3.26Å; E56-E253 WeakPolarHBondContact CA-O 3.43Å; E57-E253 PolarHBondContact N-O 3.4Å; E57-E253 PolarHBondContact O-N 3.46Å; P59-E253 HydrophobicContact CG-CG 4.45Å; R176-E253 WeakPolarHBondContact CA-OE1 3.28Å; R176-E253 VanDerWaalsContact CD-OE1 3.28Å; R176-E253 WeakPolarHBondContact CD-OE1 3.31Å; R176-E253 VanDerWaalsContact CD-OE2 3.28Å; R176-E253 WeakPolarHBondContact CD-OE2 3.44Å; R176-E253 IonicContact CZ-OE2 3.33Å; R176-E253 IonicContact NH1-OE2 2.95Å; R176-E253 PolarHBondContact NH1-OE2 3.37Å; L177-E253 HydrophobicContact CB-CG 4.45Å; L177-E253 PolarHBondContact N-OE1 3.43Å; E253-I255 HydrophobicContact CB-CD1 4.43Å; E253-I255 HydrophobicContact CB-CG1 4.05Å
254I95.4Very high94.4Very high111 Ų11148.5 Ų48.557%0.56922%0.222SC*.EExtended strand (participates in β ladder)trans-95.9105.2172.8-57.7173.2000108T54 E56T54-I254 HydrophobicContact CG2-CG2 3.88Å; E56-I254 HydrophobicContact CG-CG1 4.11Å
255I95.9Very high94.1Very high0 Ų051.5 Ų51.50%024%0.237CC..EExtended strand (participates in β ladder)trans-105132.4-172-55.9170.5000109.7T54 Y55 E57 L144 L177 L183 E253T54-I255 CarbonylContact C-O 3.55Å; T54-I255 VanDerWaalsContact CA-O 3.24Å; T54-I255 WeakPolarHBondContact CA-O 3.26Å; Y55-I255 HydrophobicContact CD1-CB 4.35Å; Y55-I255 WeakPolarHBondContact CD1-O 3.27Å; Y55-I255 HydrophobicContact CE1-CB 3.81Å; Y55-I255 HydrophobicContact CE1-CG2 3.81Å; Y55-I255 HydrophobicContact CE2-CB 4.24Å; Y55-I255 HydrophobicContact CE2-CD1 4.07Å; Y55-I255 PolarHBondContact N-O 3.16Å; Y55-I255 PolarHBondContact O-N 3.15Å; E57-I255 HydrophobicContact CB-CD1 4.03Å; L144-I255 HydrophobicContact CD1-CD1 3.67Å; L144-I255 HydrophobicContact CD2-CD1 3.48Å; L144-I255 VanDerWaalsContact CD2-CD1 3.48Å; L144-I255 HydrophobicContact CG-CD1 4.18Å; L177-I255 HydrophobicContact CD2-CD1 4.42Å; L177-I255 HydrophobicContact CD2-CG1 4.07Å; L183-I255 HydrophobicContact CD1-CG2 3.66Å; E253-I255 HydrophobicContact CB-CD1 4.43Å; E253-I255 HydrophobicContact CB-CG1 4.05Å
256S95.6Very high93.9Very high29 Ų2954.9 Ų54.920%0.20325%0.25CC..EExtended strand (participates in β ladder)trans-91.1138.6177.275.50000112.2K53 Q179 L183K53-S256 CarbonylContact O-C 3.58Å; K53-S256 VanDerWaalsContact O-CA 3.3Å; K53-S256 WeakPolarHBondContact O-CA 3.45Å; Q179-S256 PolarHBondContact NE2-O 3.03Å; Q179-S256 PolarHBondContact NE2-OG 2.88Å; Q179-S256 PolarHBondContact OE1-O 3.11Å; Q179-S256 PolarHBondContact OE1-OG 3.36Å; L183-S256 PolarHBondContact N-O 3.19Å
257Y95Very high93.6Very high11 Ų1157.9 Ų57.94%0.04326%0.262CS..EExtended strand (participates in β ladder)trans-139.9160.5177.275.3-72.8000112.5R52 K53 Y55 L183 H185 P259 E263R52-Y257 WeakPolarHBondContact CA-O 3.48Å; K53-Y257 HydrophobicContact CB-CD1 4.07Å; K53-Y257 HydrophobicContact CB-CE1 3.5Å; K53-Y257 VanDerWaalsContact CB-CE1 3.5Å; K53-Y257 PolarHBondContact N-O 3.26Å; K53-Y257 VanDerWaalsContact O-CD1 3.23Å; K53-Y257 WeakPolarHBondContact O-CD1 3.36Å; K53-Y257 PolarHBondContact O-N 2.97Å; Y55-Y257 AromaticContact CD1-CD1 3.43Å; Y55-Y257 HydrophobicContact CD1-CD1 3.43Å; Y55-Y257 VanDerWaalsContact CD1-CD1 3.43Å; Y55-Y257 AromaticContact CD1-CE1 3.75Å; Y55-Y257 HydrophobicContact CD1-CE1 3.75Å; Y55-Y257 HydrophobicContact CD1-CG 4.25Å; Y55-Y257 AromaticContact CE1-CD1 3.89Å; Y55-Y257 HydrophobicContact CE1-CD1 3.89Å; Y55-Y257 HydrophobicContact CE1-CG 4.3Å; L183-Y257 CarbonylContact O-C 3.59Å; L183-Y257 WeakPolarHBondContact O-CA 3.42Å; L183-Y257 WeakPolarHBondContact O-CB 3.38Å; H185-Y257 HydrophobicContact CB-CD2 4.05Å; H185-Y257 HydrophobicContact CB-CE2 4.4Å; Y257-P259 HydrophobicContact CE2-CB 4.48Å; Y257-E263 PolarHBondContact OH-OE1 2.92Å; Y257-E263 PolarHBondContact OH-OE2 2.82Å
258R94.1Very high93.3Very high140 Ų14055.1 Ų55.153%0.52825%0.251SS..PPolyproline II helixtrans-88.6117.2172.2-63.8-174.3-176.7-179.10.9108.8P182 L183 H185P182-R258 HydrophobicContact CB-CG 3.99Å; P182-R258 HydrophobicContact CG-CG 3.79Å; L183-R258 PolarHBondContact O-N 3.27Å; H185-R258 VanDerWaalsContact CB-O 3.26Å; H185-R258 WeakPolarHBondContact CB-O 3.33Å; H185-R258 PolarHBondContact N-O 2.98Å
259P93.4Very high93Very high17 Ų1763.1 Ų63.111%0.1128%0.281CS..PPolyproline II helixtrans-62.6148.1179.627.1-33.8000111.1I50 Y257 E263I50-P259 HydrophobicContact CB-CG 4.29Å; I50-P259 HydrophobicContact CG2-CG 4.25Å; I50-P259 WeakPolarHBondContact O-CG 3.43Å; Y257-P259 HydrophobicContact CE2-CB 4.48Å; P259-E263 HydrophobicContact CB-CB 4.18Å; P259-E263 HydrophobicContact CB-CG 4.16Å
260G91.4Very high92.8Very high8 Ų862.7 Ų62.78%0.08229%0.285CS..PPolyproline II helixtrans-76.4167.3175.800000112.2W262 E263 T264G260-W262 PolarHBondContact O-N 2.79Å; G260-E263 WeakPolarHBondContact O-CB 3.15Å; G260-E263 PolarHBondContact O-N 2.81Å; G260-E263 VanDerWaalsContact O-N 3.1Å; G260-T264 PolarHBondContact O-N 2.83Å; G260-T264 PolarHBondContact O-OG1 3.14Å
261F90.4Very high92.6Very high122 Ų12265.2 Ų65.254%0.53530%0.297SS..Hα-helixtrans-50.8-52.6-178.9175.8-100.6000112.9E263 T264 I265F261-E263 VanDerWaalsContact C-N 3.28Å; F261-E263 PolarHBondContact O-N 2.87Å; F261-T264 PolarHBondContact O-N 2.82Å; F261-I265 HydrophobicContact CD1-CG1 4.18Å; F261-I265 HydrophobicContact CD2-CG1 4.21Å; F261-I265 HydrophobicContact CE1-CG1 3.78Å; F261-I265 HydrophobicContact CE2-CD1 3.99Å; F261-I265 HydrophobicContact CE2-CG1 3.8Å; F261-I265 HydrophobicContact CG-CG1 4.39Å; F261-I265 HydrophobicContact CZ-CD1 3.88Å; F261-I265 HydrophobicContact CZ-CG1 3.58Å; F261-I265 WeakPolarHBondContact O-CG1 3.26Å; F261-I265 PolarHBondContact O-N 2.85Å
262W90.9Very high92.5Very high202 Ų20266.1 Ų66.177%0.76530%0.298SS*.Hα-helixtrans-64.2-32.7-178.7-68.9114.8000113.6G260 K266G260-W262 PolarHBondContact O-N 2.79Å; W262-K266 WeakPolarHBondContact O-CB 3.16Å; W262-K266 PolarHBondContact O-N 2.77Å
263E91.3Very high92.5Very high38 Ų3864.1 Ų64.118%0.17829%0.289CS..Hα-helixtrans-67.4-47.9175.3-173.1176177.900110.2K53 Y257 P259 G260 F261 I265 K266 F267K53-E263 WeakPolarHBondContact CD-OE1 3.44Å; K53-E263 WeakPolarHBondContact CE-OE1 3.34Å; K53-E263 IonicContact NZ-OE1 2.92Å; K53-E263 PolarHBondContact NZ-OE1 2.95Å; Y257-E263 PolarHBondContact OH-OE1 2.92Å; Y257-E263 PolarHBondContact OH-OE2 2.82Å; P259-E263 HydrophobicContact CB-CB 4.18Å; P259-E263 HydrophobicContact CB-CG 4.16Å; G260-E263 WeakPolarHBondContact O-CB 3.15Å; G260-E263 PolarHBondContact O-N 2.81Å; G260-E263 VanDerWaalsContact O-N 3.1Å; F261-E263 VanDerWaalsContact C-N 3.28Å; F261-E263 PolarHBondContact O-N 2.87Å; E263-I265 PolarHBondContact O-N 2.89Å; E263-K266 WeakPolarHBondContact O-CB 3.4Å; E263-K266 PolarHBondContact O-N 2.79Å; E263-F267 HydrophobicContact CG-CD2 4.08Å; E263-F267 HydrophobicContact CG-CE2 3.87Å; E263-F267 WeakPolarHBondContact O-CD2 3.34Å; E263-F267 PolarHBondContact O-N 2.97Å
264T92.1Very high92.4Very high5 Ų566.9 Ų66.93%0.03131%0.309CS..Hα-helixtrans-59.7-46.6177.6-54.30000111.6W49 G260 F261 K266 F267 A268W49-T264 HydrophobicContact CD2-CG2 3.83Å; W49-T264 HydrophobicContact CE3-CG2 3.64Å; W49-T264 HydrophobicContact CG-CG2 4.36Å; W49-T264 HydrophobicContact CH2-CG2 4.43Å; W49-T264 HydrophobicContact CZ3-CG2 3.97Å; G260-T264 PolarHBondContact O-N 2.83Å; G260-T264 PolarHBondContact O-OG1 3.14Å; F261-T264 PolarHBondContact O-N 2.82Å; T264-K266 VanDerWaalsContact C-N 3.33Å; T264-K266 PolarHBondContact O-N 2.91Å; T264-F267 PolarHBondContact O-N 2.86Å; T264-A268 WeakPolarHBondContact O-CB 3.31Å; T264-A268 PolarHBondContact O-N 2.82Å
265I91.1Very high92.3Very high64 Ų6463 Ų6333%0.32829%0.291SS..Hα-helixtrans-60.6-41.4177.9-69-68000111.6F261 E263 F267 A268 W269F261-I265 HydrophobicContact CD1-CG1 4.18Å; F261-I265 HydrophobicContact CD2-CG1 4.21Å; F261-I265 HydrophobicContact CE1-CG1 3.78Å; F261-I265 HydrophobicContact CE2-CD1 3.99Å; F261-I265 HydrophobicContact CE2-CG1 3.8Å; F261-I265 HydrophobicContact CG-CG1 4.39Å; F261-I265 HydrophobicContact CZ-CD1 3.88Å; F261-I265 HydrophobicContact CZ-CG1 3.58Å; F261-I265 WeakPolarHBondContact O-CG1 3.26Å; F261-I265 PolarHBondContact O-N 2.85Å; E263-I265 PolarHBondContact O-N 2.89Å; I265-F267 VanDerWaalsContact C-N 3.34Å; I265-F267 PolarHBondContact O-N 2.83Å; I265-A268 PolarHBondContact O-N 2.84Å; I265-W269 VanDerWaalsContact O-CB 3.25Å; I265-W269 WeakPolarHBondContact O-CB 3.3Å; I265-W269 PolarHBondContact O-N 3.39Å
266K92.1Very high92.2Very high113 Ų11364.1 Ų64.149%0.49130%0.297SS..Hα-helixtrans-57.6-46.5176.9-177.7-171.469.1173.90111.7W262 E263 T264 I270W262-K266 WeakPolarHBondContact O-CB 3.16Å; W262-K266 PolarHBondContact O-N 2.77Å; E263-K266 WeakPolarHBondContact O-CB 3.4Å; E263-K266 PolarHBondContact O-N 2.79Å; T264-K266 VanDerWaalsContact C-N 3.33Å; T264-K266 PolarHBondContact O-N 2.91Å; K266-I270 HydrophobicContact CG-CD1 4.26Å; K266-I270 WeakPolarHBondContact O-CD1 3.31Å; K266-I270 VanDerWaalsContact O-CG1 3.3Å; K266-I270 WeakPolarHBondContact O-CG1 3.37Å; K266-I270 PolarHBondContact O-N 2.88Å
267F89.1Confident92.2Very high66 Ų6668 Ų6829%0.28932%0.315SS..Hα-helixtrans-71.3-40.4179.5-75.3-77.9000112.3I50 K53 E263 T264 I265 W269 I270 Q271I50-F267 HydrophobicContact CD1-CB 3.8Å; I50-F267 HydrophobicContact CD1-CD1 4.37Å; I50-F267 HydrophobicContact CD1-CD2 4.07Å; I50-F267 HydrophobicContact CD1-CG 3.8Å; K53-F267 VanDerWaalsContact NZ-CD2 3.28Å; E263-F267 HydrophobicContact CG-CD2 4.08Å; E263-F267 HydrophobicContact CG-CE2 3.87Å; E263-F267 WeakPolarHBondContact O-CD2 3.34Å; E263-F267 PolarHBondContact O-N 2.97Å; T264-F267 PolarHBondContact O-N 2.86Å; I265-F267 VanDerWaalsContact C-N 3.34Å; I265-F267 PolarHBondContact O-N 2.83Å; F267-W269 VanDerWaalsContact C-N 3.29Å; F267-W269 PolarHBondContact O-N 3.41Å; F267-I270 PolarHBondContact O-N 2.93Å; F267-Q271 PolarHBondContact O-N 2.79Å
268A90.6Very high92.1Very high7 Ų772.4 Ų72.46%0.05834%0.338CS..Hα-helixtrans-57.7-43.2174.200000111.7F48 T264 I265 Q271 Y272F48-A268 HydrophobicContact CD1-CB 4.47Å; F48-A268 HydrophobicContact CD2-CB 3.87Å; F48-A268 HydrophobicContact CE1-CB 4.31Å; F48-A268 HydrophobicContact CE2-CB 3.69Å; F48-A268 HydrophobicContact CG-CB 4.26Å; F48-A268 HydrophobicContact CZ-CB 3.92Å; T264-A268 WeakPolarHBondContact O-CB 3.31Å; T264-A268 PolarHBondContact O-N 2.82Å; I265-A268 PolarHBondContact O-N 2.84Å; A268-Q271 PolarHBondContact O-N 2.85Å; A268-Y272 WeakPolarHBondContact O-CB 3.4Å; A268-Y272 PolarHBondContact O-N 3.08Å
269W91.1Very high92.1Very high169 Ų16967.9 Ų67.964%0.6432%0.322SS*.Hα-helixtrans-61.5-47.8178.2-179.4-91.8000112.4I265 F267 Q271 Y272 V273I265-W269 VanDerWaalsContact O-CB 3.25Å; I265-W269 WeakPolarHBondContact O-CB 3.3Å; I265-W269 PolarHBondContact O-N 3.39Å; F267-W269 VanDerWaalsContact C-N 3.29Å; F267-W269 PolarHBondContact O-N 3.41Å; W269-Q271 VanDerWaalsContact C-N 3.32Å; W269-Q271 PolarHBondContact O-N 2.81Å; W269-Y272 PolarHBondContact O-N 3.01Å; W269-V273 HydrophobicContact CD2-CG2 4.11Å; W269-V273 HydrophobicContact CG-CG2 4.37Å; W269-V273 HydrophobicContact CZ2-CG2 3.96Å; W269-V273 WeakPolarHBondContact O-CG2 3.46Å; W269-V273 PolarHBondContact O-N 3.48Å
270I91.4Very high92.1Very high89 Ų8970.1 Ų70.146%0.45633%0.332SS..Hα-helixtrans-59.4-44.6179.8-66.8162.2000110.7K266 F267 S274K266-I270 HydrophobicContact CG-CD1 4.26Å; K266-I270 WeakPolarHBondContact O-CD1 3.31Å; K266-I270 VanDerWaalsContact O-CG1 3.3Å; K266-I270 WeakPolarHBondContact O-CG1 3.37Å; K266-I270 PolarHBondContact O-N 2.88Å; F267-I270 PolarHBondContact O-N 2.93Å; I270-S274 WeakPolarHBondContact O-CB 3.21Å; I270-S274 PolarHBondContact O-N 3.01Å; I270-S274 PolarHBondContact O-OG 2.84Å
271Q90.6Very high92.3Very high57 Ų5777.2 Ų77.227%0.26636%0.357SS..Hα-helixtrans-65.3-46.6178.1-68.9-174.9-12.100111.9A42 Q46 F48 F267 A268 W269 S274 V275A42-Q271 HydrophobicContact CB-CB 4.48Å; Q46-Q271 PolarHBondContact O-NE2 2.84Å; F48-Q271 VanDerWaalsContact CA-OE1 3.29Å; F48-Q271 VanDerWaalsContact N-OE1 3.09Å; F267-Q271 PolarHBondContact O-N 2.79Å; A268-Q271 PolarHBondContact O-N 2.85Å; W269-Q271 VanDerWaalsContact C-N 3.32Å; W269-Q271 PolarHBondContact O-N 2.81Å; Q271-S274 PolarHBondContact O-N 3.44Å; Q271-V275 WeakPolarHBondContact O-CG2 3.39Å; Q271-V275 PolarHBondContact O-N 2.79Å
272Y92.6Very high92.4Very high42 Ų4274 Ų7417%0.16535%0.347CS..Hα-helixtrans-61-49.9-179.4177.3-110000112.2Y35 P38 L39 A268 W269 S274 V275 L276Y35-Y272 PolarHBondContact O-OH 3.22Å; P38-Y272 HydrophobicContact CB-CD2 4.3Å; P38-Y272 HydrophobicContact CB-CE2 3.98Å; L39-Y272 HydrophobicContact CB-CD2 4.25Å; L39-Y272 HydrophobicContact CB-CE2 3.92Å; L39-Y272 HydrophobicContact CD1-CD2 4.26Å; L39-Y272 HydrophobicContact CD1-CE2 4.2Å; A268-Y272 WeakPolarHBondContact O-CB 3.4Å; A268-Y272 PolarHBondContact O-N 3.08Å; W269-Y272 PolarHBondContact O-N 3.01Å; Y272-S274 VanDerWaalsContact C-N 3.32Å; Y272-S274 PolarHBondContact O-N 3.05Å; Y272-V275 PolarHBondContact O-N 2.8Å; Y272-L276 HydrophobicContact CD1-CD2 4.5Å; Y272-L276 HydrophobicContact CE1-CD2 3.78Å; Y272-L276 VanDerWaalsContact O-CB 3.23Å; Y272-L276 WeakPolarHBondContact O-CB 3.2Å; Y272-L276 PolarHBondContact O-N 2.88Å
273V93.6Very high92.5Very high44 Ų4465.7 Ų65.727%0.26732%0.316SS..Hα-helixtrans-63.3-39.8-178.2172.80000111.4W269 V275 L276 L277W269-V273 HydrophobicContact CD2-CG2 4.11Å; W269-V273 HydrophobicContact CG-CG2 4.37Å; W269-V273 HydrophobicContact CZ2-CG2 3.96Å; W269-V273 WeakPolarHBondContact O-CG2 3.46Å; W269-V273 PolarHBondContact O-N 3.48Å; V273-V275 VanDerWaalsContact C-N 3.32Å; V273-V275 PolarHBondContact O-N 2.8Å; V273-L276 PolarHBondContact O-N 2.78Å; V273-L277 HydrophobicContact CG1-CD1 4.37Å; V273-L277 HydrophobicContact CG1-CG 4.46Å; V273-L277 WeakPolarHBondContact O-CG 3.24Å; V273-L277 PolarHBondContact O-N 2.96Å; V273-L277 VanDerWaalsContact O-N 3.09Å
274S92.8Very high92.4Very high70 Ų7067.8 Ų67.849%0.4933%0.326SS..Hα-helixtrans-59.9-41.7179.3-58.30000112.2I270 Q271 Y272I270-S274 WeakPolarHBondContact O-CB 3.21Å; I270-S274 PolarHBondContact O-N 3.01Å; I270-S274 PolarHBondContact O-OG 2.84Å; Q271-S274 PolarHBondContact O-N 3.44Å; Y272-S274 VanDerWaalsContact C-N 3.32Å; Y272-S274 PolarHBondContact O-N 3.05Å
275V92.8Very high92.3Very high30 Ų3074.6 Ų74.618%0.18235%0.351CS..Hα-helixtrans-76.9-39.6176.7-177.10000111.2P38 V41 Q271 Y272 V273 L277 I278 F279P38-V275 HydrophobicContact CB-CB 4.19Å; P38-V275 HydrophobicContact CB-CG1 3.82Å; V41-V275 HydrophobicContact CB-CG1 4.27Å; V41-V275 HydrophobicContact CG1-CG1 4.09Å; Q271-V275 WeakPolarHBondContact O-CG2 3.39Å; Q271-V275 PolarHBondContact O-N 2.79Å; Y272-V275 PolarHBondContact O-N 2.8Å; V273-V275 VanDerWaalsContact C-N 3.32Å; V273-V275 PolarHBondContact O-N 2.8Å; V275-L277 VanDerWaalsContact C-N 3.29Å; V275-L277 PolarHBondContact O-N 2.85Å; V275-I278 PolarHBondContact O-N 3.08Å; V275-F279 HydrophobicContact CG1-CD2 3.78Å; V275-F279 HydrophobicContact CG1-CE2 3.64Å; V275-F279 WeakPolarHBondContact O-CD2 3.43Å; V275-F279 PolarHBondContact O-N 2.92Å
276L94.6Very high92.2Very high23 Ų2374.9 Ų74.912%0.1235%0.353CS..Hα-helixtrans-57.2-41-179178.565.5000112.1T34 Y35 P38 Y272 V273 I278 F279 I280T34-L276 WeakPolarHBondContact O-CD1 3.31Å; Y35-L276 HydrophobicContact CD1-CD1 3.76Å; Y35-L276 HydrophobicContact CE1-CD1 4.09Å; Y35-L276 HydrophobicContact CE1-CD2 4.46Å; P38-L276 HydrophobicContact CB-CB 4.36Å; P38-L276 HydrophobicContact CG-CD1 4.03Å; Y272-L276 HydrophobicContact CD1-CD2 4.5Å; Y272-L276 HydrophobicContact CE1-CD2 3.78Å; Y272-L276 VanDerWaalsContact O-CB 3.23Å; Y272-L276 WeakPolarHBondContact O-CB 3.2Å; Y272-L276 PolarHBondContact O-N 2.88Å; V273-L276 PolarHBondContact O-N 2.78Å; L276-I278 VanDerWaalsContact C-N 3.3Å; L276-I278 PolarHBondContact O-N 2.95Å; L276-F279 PolarHBondContact O-N 2.72Å; L276-F279 VanDerWaalsContact O-N 3.15Å; L276-I280 HydrophobicContact CD1-CD1 4.14Å; L276-I280 HydrophobicContact CD1-CG1 4.14Å; L276-I280 HydrophobicContact CD2-CD1 4.24Å; L276-I280 HydrophobicContact CG-CD1 3.77Å; L276-I280 HydrophobicContact CG-CG1 4.21Å; L276-I280 WeakPolarHBondContact O-CG1 3.25Å; L276-I280 PolarHBondContact O-N 3.41Å
277L94.9Very high91.9Very high111 Ų11172 Ų7258%0.58134%0.341SS*.Hα-helixtrans-59.8-39.5179.7-72.3173.6000112.7V273 V275 W281V273-L277 HydrophobicContact CG1-CD1 4.37Å; V273-L277 HydrophobicContact CG1-CG 4.46Å; V273-L277 WeakPolarHBondContact O-CG 3.24Å; V273-L277 PolarHBondContact O-N 2.96Å; V273-L277 VanDerWaalsContact O-N 3.09Å; V275-L277 VanDerWaalsContact C-N 3.29Å; V275-L277 PolarHBondContact O-N 2.85Å; L277-W281 WeakPolarHBondContact O-CB 3.36Å; L277-W281 PolarHBondContact O-N 2.74Å
278I94.3Very high91.7Very high103 Ų10374.6 Ų74.653%0.52835%0.349SS..Hα-helixtrans-65.7-44.6176.8-61.7166.4000109.8V275 L276 W281 V282V275-I278 PolarHBondContact O-N 3.08Å; L276-I278 VanDerWaalsContact C-N 3.3Å; L276-I278 PolarHBondContact O-N 2.95Å; I278-W281 PolarHBondContact O-N 2.91Å; I278-V282 HydrophobicContact CG2-CG2 4.41Å; I278-V282 WeakPolarHBondContact O-CG2 3.46Å; I278-V282 PolarHBondContact O-N 2.83Å
279F93.3Very high91.5Very high46 Ų4680.2 Ų80.220%0.20237%0.372CS..Hα-helixtrans-64.6-44.1179.1-85.7-110.1000111.9A37 P38 V41 V275 L276 W281 V282 F283A37-F279 HydrophobicContact CB-CD1 4.01Å; A37-F279 HydrophobicContact CB-CE1 3.4Å; A37-F279 VanDerWaalsContact CB-CE1 3.4Å; A37-F279 HydrophobicContact CB-CZ 4.11Å; P38-F279 HydrophobicContact CB-CD2 4.46Å; P38-F279 HydrophobicContact CG-CB 3.67Å; P38-F279 HydrophobicContact CG-CD1 3.82Å; P38-F279 HydrophobicContact CG-CD2 3.82Å; P38-F279 HydrophobicContact CG-CE1 4.48Å; P38-F279 HydrophobicContact CG-CE2 4.41Å; P38-F279 HydrophobicContact CG-CG 3.49Å; P38-F279 VanDerWaalsContact CG-CG 3.49Å; V41-F279 HydrophobicContact CG2-CZ 4.33Å; V275-F279 HydrophobicContact CG1-CD2 3.78Å; V275-F279 HydrophobicContact CG1-CE2 3.64Å; V275-F279 WeakPolarHBondContact O-CD2 3.43Å; V275-F279 PolarHBondContact O-N 2.92Å; L276-F279 PolarHBondContact O-N 2.72Å; L276-F279 VanDerWaalsContact O-N 3.15Å; F279-W281 VanDerWaalsContact C-N 3.29Å; F279-W281 PolarHBondContact O-N 2.85Å; F279-V282 PolarHBondContact O-N 2.91Å; F279-F283 HydrophobicContact CB-CD2 4.32Å; F279-F283 HydrophobicContact CD1-CD2 4.04Å; F279-F283 AromaticContact CD1-CE2 3.54Å; F279-F283 HydrophobicContact CD1-CE2 3.54Å; F279-F283 HydrophobicContact CE1-CE2 4.06Å; F279-F283 HydrophobicContact CG-CE2 4.45Å; F279-F283 WeakPolarHBondContact O-CB 3.07Å; F279-F283 VanDerWaalsContact O-CD2 3.27Å; F279-F283 WeakPolarHBondContact O-CD2 3.34Å; F279-F283 PolarHBondContact O-N 2.94Å
280I93.9Very high91.2Very high63 Ų6373 Ų7332%0.32335%0.347SS..Hα-helixtrans-55.5-48.8173.8-70.2170.7000109.7T34 L276 V282 E284T34-I280 HydrophobicContact CG2-CG1 3.81Å; L276-I280 HydrophobicContact CD1-CD1 4.14Å; L276-I280 HydrophobicContact CD1-CG1 4.14Å; L276-I280 HydrophobicContact CD2-CD1 4.24Å; L276-I280 HydrophobicContact CG-CD1 3.77Å; L276-I280 HydrophobicContact CG-CG1 4.21Å; L276-I280 WeakPolarHBondContact O-CG1 3.25Å; L276-I280 PolarHBondContact O-N 3.41Å; I280-V282 PolarHBondContact O-N 2.87Å; I280-E284 WeakPolarHBondContact O-CB 3.15Å; I280-E284 PolarHBondContact O-N 3.07Å
281W94.6Very high90.8Very high158 Ų15869.9 Ų69.960%0.59833%0.33SS*.Hα-helixtrans-61.3-45.5179.8178.687.9000113L277 I278 F279 R285L277-W281 WeakPolarHBondContact O-CB 3.36Å; L277-W281 PolarHBondContact O-N 2.74Å; I278-W281 PolarHBondContact O-N 2.91Å; F279-W281 VanDerWaalsContact C-N 3.29Å; F279-W281 PolarHBondContact O-N 2.85Å; W281-R285 WeakPolarHBondContact O-CG 3.38Å; W281-R285 PolarHBondContact O-N 3.12Å
282V93.8Very high90.3Very high54 Ų5473.5 Ų73.533%0.32735%0.347SS..Hα-helixtrans-64.8-50.8178.6171.40000111I278 F279 I280 E284 R285 I286I278-V282 HydrophobicContact CG2-CG2 4.41Å; I278-V282 WeakPolarHBondContact O-CG2 3.46Å; I278-V282 PolarHBondContact O-N 2.83Å; F279-V282 PolarHBondContact O-N 2.91Å; I280-V282 PolarHBondContact O-N 2.87Å; V282-E284 PolarHBondContact O-N 2.83Å; V282-R285 WeakPolarHBondContact O-CB 3.38Å; V282-R285 PolarHBondContact O-N 3.31Å; V282-I286 HydrophobicContact CG1-CD1 3.81Å; V282-I286 HydrophobicContact CG1-CG1 4.49Å; V282-I286 WeakPolarHBondContact O-CG1 3.44Å; V282-I286 PolarHBondContact O-N 3.24Å
283F91.6Very high89.8Confident28 Ų2875.8 Ų75.812%0.12336%0.362CS..Hα-helixtrans-71.5-31.1-174.8-80.2-71.7000112.6V30 L33 T34 F279 R285 I286 Q287V30-F283 HydrophobicContact CG1-CB 3.87Å; V30-F283 HydrophobicContact CG1-CD1 3.7Å; V30-F283 HydrophobicContact CG1-CG 4.07Å; L33-F283 HydrophobicContact CB-CE1 3.92Å; L33-F283 HydrophobicContact CB-CE2 4.14Å; L33-F283 HydrophobicContact CB-CZ 3.6Å; L33-F283 HydrophobicContact CD1-CE1 4.03Å; L33-F283 HydrophobicContact CD1-CZ 4.16Å; L33-F283 HydrophobicContact CG-CZ 4.45Å; T34-F283 WeakPolarHBondContact OG1-CB 3.37Å; T34-F283 WeakPolarHBondContact OG1-CG 3.29Å; F279-F283 HydrophobicContact CB-CD2 4.32Å; F279-F283 HydrophobicContact CD1-CD2 4.04Å; F279-F283 AromaticContact CD1-CE2 3.54Å; F279-F283 HydrophobicContact CD1-CE2 3.54Å; F279-F283 HydrophobicContact CE1-CE2 4.06Å; F279-F283 HydrophobicContact CG-CE2 4.45Å; F279-F283 WeakPolarHBondContact O-CB 3.07Å; F279-F283 VanDerWaalsContact O-CD2 3.27Å; F279-F283 WeakPolarHBondContact O-CD2 3.34Å; F279-F283 PolarHBondContact O-N 2.94Å; F283-R285 VanDerWaalsContact C-N 3.31Å; F283-R285 PolarHBondContact O-N 3.4Å; F283-I286 HydrophobicContact CD1-CD1 4.05Å; F283-I286 HydrophobicContact CE1-CD1 4.2Å; F283-I286 PolarHBondContact O-N 2.91Å; F283-Q287 WeakPolarHBondContact O-CB 3.35Å; F283-Q287 WeakPolarHBondContact O-CG 3.25Å; F283-Q287 PolarHBondContact O-N 3.23Å
284E90.2Very high88.9Confident82 Ų8279 Ų7938%0.38337%0.374SS..Hα-helixtrans-62-40.1170.7-170.4-177.6-176.300111.2I280 V282 Q287 R288I280-E284 WeakPolarHBondContact O-CB 3.15Å; I280-E284 PolarHBondContact O-N 3.07Å; V282-E284 PolarHBondContact O-N 2.83Å; E284-Q287 PolarHBondContact O-N 3.39Å; E284-R288 WeakPolarHBondContact O-CB 3.07Å; E284-R288 VanDerWaalsContact O-CG 3.31Å; E284-R288 WeakPolarHBondContact O-CG 3.39Å; E284-R288 PolarHBondContact O-N 2.83Å; E284-R288 IonicContact OE1-CZ 2.97Å; E284-R288 IonicContact OE1-NE 3.26Å; E284-R288 IonicContact OE1-NH2 2.77Å; E284-R288 PolarHBondContact OE1-NH2 3.29Å; E284-R288 IonicContact OE2-NH2 2.65Å
285R89.3Confident88.1Confident147 Ų14780.3 Ų80.356%0.55538%0.379SS*.Hα-helixtrans-66-42.6175.2-70.7-72.7-176.9153.90.3112.4W281 V282 F283 R288 F289W281-R285 WeakPolarHBondContact O-CG 3.38Å; W281-R285 PolarHBondContact O-N 3.12Å; V282-R285 WeakPolarHBondContact O-CB 3.38Å; V282-R285 PolarHBondContact O-N 3.31Å; F283-R285 VanDerWaalsContact C-N 3.31Å; F283-R285 PolarHBondContact O-N 3.4Å; R285-R288 PolarHBondContact O-N 3.38Å; R285-F289 WeakPolarHBondContact O-CB 3.37Å; R285-F289 PolarHBondContact O-N 3.03Å
286I88.3Confident87.4Confident70 Ų7080.4 Ų80.436%0.35938%0.378SS..Hα-helixtrans-62.1-45.4176-66.1168.5000110.4F26 V282 F283 F289 V290F26-I286 HydrophobicContact CZ-CG2 4.43Å; V282-I286 HydrophobicContact CG1-CD1 3.81Å; V282-I286 HydrophobicContact CG1-CG1 4.49Å; V282-I286 WeakPolarHBondContact O-CG1 3.44Å; V282-I286 PolarHBondContact O-N 3.24Å; F283-I286 HydrophobicContact CD1-CD1 4.05Å; F283-I286 HydrophobicContact CE1-CD1 4.2Å; F283-I286 PolarHBondContact O-N 2.91Å; I286-F289 PolarHBondContact O-N 3.49Å; I286-V290 HydrophobicContact CG2-CG2 4.36Å; I286-V290 VanDerWaalsContact O-CG2 3.3Å; I286-V290 WeakPolarHBondContact O-CG2 3.19Å; I286-V290 PolarHBondContact O-N 3.27Å
287Q86.3Confident86.3Confident54 Ų5490.7 Ų90.725%0.25242%0.415SS..Hα-helixtrans-60.8-48.6176.9-75.9-179.2-19.500111.7F26 V30 F283 E284 F289 V290 F291F26-Q287 HydrophobicContact CE1-CG 4.32Å; V30-Q287 HydrophobicContact CG1-CG 3.84Å; V30-Q287 HydrophobicContact CG2-CG 4.48Å; F283-Q287 WeakPolarHBondContact O-CB 3.35Å; F283-Q287 WeakPolarHBondContact O-CG 3.25Å; F283-Q287 PolarHBondContact O-N 3.23Å; E284-Q287 PolarHBondContact O-N 3.39Å; Q287-F289 VanDerWaalsContact C-N 3.3Å; Q287-F289 PolarHBondContact O-N 2.67Å; Q287-V290 PolarHBondContact O-N 2.8Å; Q287-F291 HydrophobicContact CB-CD2 4.35Å; Q287-F291 HydrophobicContact CB-CE2 4.3Å; Q287-F291 WeakPolarHBondContact O-CD2 3.09Å; Q287-F291 PolarHBondContact O-N 2.87Å
288R84.8Confident85.3Confident119 Ų11986.1 Ų86.145%0.44939%0.392SS..Hα-helixtrans-55.8-46.1176.6-73.5178.4-168-1723.9111.1E284 R285 Q292E284-R288 WeakPolarHBondContact O-CB 3.07Å; E284-R288 VanDerWaalsContact O-CG 3.31Å; E284-R288 WeakPolarHBondContact O-CG 3.39Å; E284-R288 PolarHBondContact O-N 2.83Å; E284-R288 IonicContact OE1-CZ 2.97Å; E284-R288 IonicContact OE1-NE 3.26Å; E284-R288 IonicContact OE1-NH2 2.77Å; E284-R288 PolarHBondContact OE1-NH2 3.29Å; E284-R288 IonicContact OE2-NH2 2.65Å; R285-R288 PolarHBondContact O-N 3.38Å; R288-Q292 WeakPolarHBondContact O-CB 3.28Å; R288-Q292 WeakPolarHBondContact O-CG 3.03Å; R288-Q292 PolarHBondContact O-N 3.18Å
289F85.9Confident84.1Confident126 Ų12686 Ų8655%0.55340%0.396SS*.Hα-helixtrans-60.5-47.3177.5179.3-92.7000112.7R285 I286 Q287 F291 N293R285-F289 WeakPolarHBondContact O-CB 3.37Å; R285-F289 PolarHBondContact O-N 3.03Å; I286-F289 PolarHBondContact O-N 3.49Å; Q287-F289 VanDerWaalsContact C-N 3.3Å; Q287-F289 PolarHBondContact O-N 2.67Å; F289-F291 PolarHBondContact O-N 3.45Å; F289-N293 WeakPolarHBondContact CD2-ND2 3.46Å; F289-N293 WeakPolarHBondContact CE2-ND2 3.49Å; F289-N293 VanDerWaalsContact CZ-ND2 3.26Å; F289-N293 WeakPolarHBondContact CZ-ND2 3.45Å; F289-N293 WeakPolarHBondContact O-CB 3.17Å; F289-N293 PolarHBondContact O-N 3.12Å; F289-N293 PolarHBondContact O-ND2 3.21Å
290V85.9Confident83Confident16 Ų1686.2 Ų86.210%0.09740%0.402CS..Hα-helixtrans-63.8-41.1-177.9167.80000112F26 I286 Q287 Q294 V295 I296F26-V290 HydrophobicContact CD1-CG1 4.35Å; F26-V290 HydrophobicContact CE1-CB 4.16Å; F26-V290 HydrophobicContact CE1-CG1 3.81Å; F26-V290 HydrophobicContact CE1-CG2 4.41Å; F26-V290 HydrophobicContact CE2-CG2 4.37Å; F26-V290 HydrophobicContact CZ-CB 4.04Å; F26-V290 HydrophobicContact CZ-CG1 3.94Å; F26-V290 HydrophobicContact CZ-CG2 3.78Å; I286-V290 HydrophobicContact CG2-CG2 4.36Å; I286-V290 VanDerWaalsContact O-CG2 3.3Å; I286-V290 WeakPolarHBondContact O-CG2 3.19Å; I286-V290 PolarHBondContact O-N 3.27Å; Q287-V290 PolarHBondContact O-N 2.8Å; V290-Q294 PolarHBondContact O-N 3.36Å; V290-V295 HydrophobicContact CG1-CB 4.31Å; V290-V295 PolarHBondContact O-N 2.91Å; V290-V295 VanDerWaalsContact O-N 3.11Å; V290-I296 HydrophobicContact CG1-CD1 3.73Å; V290-I296 HydrophobicContact CG1-CG1 3.89Å
291F82.9Confident81.8Confident25 Ų2586.2 Ų86.211%0.1140%0.402CS..Hα-helixtrans-80.9-35.8-179.4-67.7-60.5000113.4Y15 F26 L27 Q287 F289 Q294 T298Y15-F291 HydrophobicContact CD1-CB 4.35Å; Y15-F291 HydrophobicContact CD2-CB 4.14Å; Y15-F291 HydrophobicContact CE1-CB 4.12Å; Y15-F291 WeakPolarHBondContact CE1-O 3.33Å; Y15-F291 HydrophobicContact CE2-CB 3.92Å; Y15-F291 HydrophobicContact CG-CB 4.35Å; Y15-F291 PolarHBondContact OH-O 3.15Å; F26-F291 HydrophobicContact CD1-CZ 4.28Å; F26-F291 HydrophobicContact CE1-CE2 4.39Å; F26-F291 HydrophobicContact CE1-CZ 4.4Å; L27-F291 HydrophobicContact CD1-CZ 4.37Å; L27-F291 HydrophobicContact CD2-CE2 3.94Å; L27-F291 HydrophobicContact CD2-CZ 3.87Å; L27-F291 HydrophobicContact CG-CZ 4.05Å; Q287-F291 HydrophobicContact CB-CD2 4.35Å; Q287-F291 HydrophobicContact CB-CE2 4.3Å; Q287-F291 WeakPolarHBondContact O-CD2 3.09Å; Q287-F291 PolarHBondContact O-N 2.87Å; F289-F291 PolarHBondContact O-N 3.45Å; F291-Q294 PolarHBondContact O-N 3.12Å; F291-T298 HydrophobicContact CD1-CG2 3.77Å; F291-T298 HydrophobicContact CE1-CG2 3.72Å
292Q81.1Confident80Confident132 Ų13283.9 Ų83.962%0.61741%0.407SS*.Hα-helixtrans-64.6-42.4175-76.4177.1-21.500111.7R288 Q294R288-Q292 WeakPolarHBondContact O-CB 3.28Å; R288-Q292 WeakPolarHBondContact O-CG 3.03Å; R288-Q292 PolarHBondContact O-N 3.18Å; Q292-Q294 VanDerWaalsContact C-N 3.27Å; Q292-Q294 PolarHBondContact O-N 2.83Å
293N80.2Confident78.3Confident91 Ų9186.5 Ų86.549%0.48742%0.423SS..THydrogen-bonded Turntrans-86.15.5-178.7-64.8-29.4000113.6F289 V295F289-N293 WeakPolarHBondContact CD2-ND2 3.46Å; F289-N293 WeakPolarHBondContact CE2-ND2 3.49Å; F289-N293 VanDerWaalsContact CZ-ND2 3.26Å; F289-N293 WeakPolarHBondContact CZ-ND2 3.45Å; F289-N293 WeakPolarHBondContact O-CB 3.17Å; F289-N293 PolarHBondContact O-N 3.12Å; F289-N293 PolarHBondContact O-ND2 3.21Å; N293-V295 HydrophobicContact CB-CG2 3.94Å; N293-V295 PolarHBondContact O-N 3.18Å
294Q75.5Confident76.2Confident111 Ų11187.7 Ų87.752%0.51944%0.443SS..THydrogen-bonded Turntrans48.233.6-177.4-60.3-165.7-9.100114.3V290 F291 Q292 I296V290-Q294 PolarHBondContact O-N 3.36Å; F291-Q294 PolarHBondContact O-N 3.12Å; Q292-Q294 VanDerWaalsContact C-N 3.27Å; Q292-Q294 PolarHBondContact O-N 2.83Å; Q294-I296 PolarHBondContact O-N 3.34Å; Q294-I296 VanDerWaalsContact O-N 3.08Å
295V76.2Confident74.1Confident98 Ų9892.7 Ų92.759%0.59446%0.463SS*.SBendtrans-57.9-28.8177.5-179.10000110.3V290 N293V290-V295 HydrophobicContact CG1-CB 4.31Å; V290-V295 PolarHBondContact O-N 2.91Å; V290-V295 VanDerWaalsContact O-N 3.11Å; N293-V295 HydrophobicContact CB-CG2 3.94Å; N293-V295 PolarHBondContact O-N 3.18Å
296I77.9Confident71.9Confident31 Ų3190.5 Ų90.516%0.15947%0.468CS..SBendtrans-115.9134.4169.9-53.8174.8000108.7K22 A23 F26 V290 Q294 T298K22-I296 HydrophobicContact CB-CG2 4.48Å; A23-I296 HydrophobicContact CB-CG2 3.7Å; F26-I296 HydrophobicContact CB-CD1 3.57Å; F26-I296 HydrophobicContact CD1-CD1 3.77Å; F26-I296 HydrophobicContact CD2-CD1 3.99Å; F26-I296 HydrophobicContact CE1-CD1 4.47Å; F26-I296 HydrophobicContact CG-CD1 3.49Å; F26-I296 VanDerWaalsContact CG-CD1 3.49Å; V290-I296 HydrophobicContact CG1-CD1 3.73Å; V290-I296 HydrophobicContact CG1-CG1 3.89Å; Q294-I296 PolarHBondContact O-N 3.34Å; Q294-I296 VanDerWaalsContact O-N 3.08Å; I296-T298 PolarHBondContact O-N 3.29Å
297R70.6Confident69.9Low240 Ų24095.5 Ų95.591%0.90649%0.49SS*.  trans-57.7110.1177.3-71.3-174.4177.6-178.8-1.1110.3
298T74.5Confident67.9Low14 Ų14102.2 Ų102.29%0.08652%0.518CS..  trans-135.7151.9173.556.90000108.4Y15 T17 A23 F291 I296 P300Y15-T298 WeakPolarHBondContact CD1-OG1 3.41Å; T17-T298 HydrophobicContact CG2-CG2 3.56Å; A23-T298 HydrophobicContact CB-CG2 4.2Å; F291-T298 HydrophobicContact CD1-CG2 3.77Å; F291-T298 HydrophobicContact CE1-CG2 3.72Å; I296-T298 PolarHBondContact O-N 3.29Å; T298-P300 VanDerWaalsContact O-CD 3.24Å; T298-P300 WeakPolarHBondContact O-CD 3.39Å
299V69.9Low65.6Low101 Ų101105.3 Ų105.361%0.61256%0.558SS**EExtended strand (participates in β ladder)trans-95.1107.1175.3-176.90000107.6R16R16-V299 PolarHBondContact N-O 3.03Å; R16-V299 VanDerWaalsContact N-O 3.15Å; R16-V299 PolarHBondContact O-N 3.35Å
300P70.6Confident64.6Low51 Ų51104.3 Ų104.333%0.33156%0.559SS.*EExtended strand (participates in β ladder)trans-71.4130.8171.330.1-33.1000108.7Y15 T298 P302Y15-P300 HydrophobicContact CD1-CB 4.17Å; Y15-P300 HydrophobicContact CE1-CB 3.99Å; T298-P300 VanDerWaalsContact O-CD 3.24Å; T298-P300 WeakPolarHBondContact O-CD 3.39Å; P300-P302 WeakPolarHBondContact O-CD 3.41Å
301I67.3Low63.5Low63 Ų63108.9 Ų108.932%0.32358%0.583SS.*EExtended strand (participates in β ladder)trans-88.1113.2170.8-59.7169.1000106.9R14 R16R14-I301 HydrophobicContact CB-CD1 4.31Å; R14-I301 PolarHBondContact O-N 2.92Å; R16-I301 HydrophobicContact CG-CD1 3.77Å
302P58.3Low62.4Low109 Ų109113.6 Ų113.671%0.70861%0.609SS**  trans-63.4139.9177.324.6-31.7000110.6P300 G304P300-P302 WeakPolarHBondContact O-CD 3.41Å; P302-G304 VanDerWaalsContact C-N 3.26Å; P302-G304 PolarHBondContact O-N 3.42Å
303V57.4Low61.3Low109 Ų109112.5 Ų112.566%0.66161%0.609SS**SBendtrans-80.577177.8-166.50000107.9
304G48.2Very low60.2Low53 Ų53113.8 Ų113.855%0.54662%0.616SS.*  trans-167.2117.9176.300000111.3P302 P306P302-G304 VanDerWaalsContact C-N 3.26Å; P302-G304 PolarHBondContact O-N 3.42Å; G304-P306 WeakPolarHBondContact O-CD 3.35Å
305K45.3Very low59.1Low186 Ų186114 Ų11481%0.80962%0.623SS**  trans-59.3123.7155.9-88.6-179.8173.8178.10106.1H307K305-H307 VanDerWaalsContact C-N 3.35Å; K305-H307 PolarHBondContact O-N 2.67Å
306P43.3Very low57.9Low101 Ų101115.1 Ų115.166%0.65663%0.625SS**  trans-64.5104.6164.426.4-29.3000106.2G304 F308G304-P306 WeakPolarHBondContact O-CD 3.35Å; P306-F308 VanDerWaalsContact C-N 3.26Å; P306-F308 HydrophobicContact CB-CD2 4.35Å; P306-F308 HydrophobicContact CB-CE2 4.29Å; P306-F308 HydrophobicContact CG-CD2 4.46Å; P306-F308 HydrophobicContact CG-CE2 4.21Å; P306-F308 PolarHBondContact O-N 3.34Å
307H46.8Very low56.4Low176 Ų176121.6 Ų121.682%0.81566%0.661SS**  trans-66.898.5160.5-78.4-79.9000105.6K305 S309K305-H307 VanDerWaalsContact C-N 3.35Å; K305-H307 PolarHBondContact O-N 2.67Å; H307-S309 PolarHBondContact O-N 3.46Å
308F42.7Very low55.2Low194 Ų194111.8 Ų111.885%0.85164%0.64SS**  trans-64.8110.4163.9-85-88.7000106.8P306P306-F308 VanDerWaalsContact C-N 3.26Å; P306-F308 HydrophobicContact CB-CD2 4.35Å; P306-F308 HydrophobicContact CB-CE2 4.29Å; P306-F308 HydrophobicContact CG-CD2 4.46Å; P306-F308 HydrophobicContact CG-CE2 4.21Å; P306-F308 PolarHBondContact O-N 3.34Å
309S38.2Very low53.5Low184 Ų184120.6 Ų120.6100%1.28769%0.691SS**  trans-79.90162.659.20000109.9H307H307-S309 PolarHBondContact O-N 3.46Å

Retrieved 309 of 309 residues in 1893.8 ms (Link to these results)

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