A0A087Y701_POEFO Loading...

Gonadotropin subunit beta-2

AlphaFold DB , UniProt , Accession A0A087Y701, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 146 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
1M52.3Low60.7Low207 Ų207114.5 Ų114.5100%1.0261%0.605SS**  0-11.90-75.2165.366.900113.1S4M1-S4 PolarHBondContact O-OG 3.05Å
2E58.3Low60.8Low166 Ų166116.7 Ų116.778%0.77661%0.606SS**Hα-helixtrans-80.8-31.1178.6-62.9-68.6103.800114.2A5 F6E2-A5 PolarHBondContact O-N 3.3Å; E2-F6 PolarHBondContact O-N 2.96Å
3T58Low60.9Low118 Ų118118.8 Ų118.872%0.72462%0.618SS**Hα-helixtrans-73-29.5-17549.80000113.6S7T3-S7 PolarHBondContact O-N 2.78Å; T3-S7 PolarHBondContact O-OG 3.35Å
4S58.8Low60.9Low76 Ų76120.1 Ų120.153%0.53163%0.625SS.*Hα-helixtrans-74.8-30.4177.760.40000112.8M1 S7 C8M1-S4 PolarHBondContact O-OG 3.05Å; S4-S7 WeakPolarHBondContact CA-OG 3.26Å; S4-S7 PolarHBondContact O-OG 3.04Å; S4-S7 VanDerWaalsContact O-OG 3.13Å; S4-C8 VanDerWaalsContact O-CB 3.29Å; S4-C8 WeakPolarHBondContact O-CB 3.25Å; S4-C8 PolarHBondContact O-N 3.34Å
5A60.8Low60.9Low49 Ų49120.1 Ų120.141%0.40562%0.624SS.*Hα-helixtrans-72.1-43.2175.900000110.6E2 C8 W9E2-A5 PolarHBondContact O-N 3.3Å; A5-C8 PolarHBondContact O-N 2.65Å; A5-W9 PolarHBondContact O-N 3.24Å
6F60.5Low61.2Low157 Ų157124.3 Ų124.369%0.68963%0.631SS**Hα-helixtrans-65.4-42.3179.7-150.3-92.2000112.5E2 C8 W9 V10E2-F6 PolarHBondContact O-N 2.96Å; F6-C8 VanDerWaalsContact C-N 3.34Å; F6-C8 PolarHBondContact O-N 3.32Å; F6-W9 PolarHBondContact O-N 3.27Å; F6-V10 HydrophobicContact CD1-CG2 4.36Å; F6-V10 HydrophobicContact CE1-CG2 4.42Å; F6-V10 WeakPolarHBondContact O-CG2 3.35Å; F6-V10 PolarHBondContact O-N 2.85Å; F6-V10 VanDerWaalsContact O-N 3.13Å
7S61.6Low61.2Low62 Ų62122.6 Ų122.643%0.43463%0.631SS.*Hα-helixtrans-66.1-35.7175.354.60000112.5T3 S4 L11T3-S7 PolarHBondContact O-N 2.78Å; T3-S7 PolarHBondContact O-OG 3.35Å; S4-S7 WeakPolarHBondContact CA-OG 3.26Å; S4-S7 PolarHBondContact O-OG 3.04Å; S4-S7 VanDerWaalsContact O-OG 3.13Å; S7-L11 WeakPolarHBondContact O-CB 3.38Å; S7-L11 WeakPolarHBondContact O-CD1 3.38Å; S7-L11 VanDerWaalsContact O-CG 3.27Å; S7-L11 WeakPolarHBondContact O-CG 3.33Å; S7-L11 PolarHBondContact O-N 2.92Å
8C62Low61.6Low57 Ų57123.3 Ų123.339%0.38564%0.641SS.*Hα-helixtrans-65.6-40.6175.4-153.30000111.7S4 A5 F6 L11 F12S4-C8 VanDerWaalsContact O-CB 3.29Å; S4-C8 WeakPolarHBondContact O-CB 3.25Å; S4-C8 PolarHBondContact O-N 3.34Å; A5-C8 PolarHBondContact O-N 2.65Å; F6-C8 VanDerWaalsContact C-N 3.34Å; F6-C8 PolarHBondContact O-N 3.32Å; C8-L11 PolarHBondContact O-N 3.49Å; C8-F12 WeakPolarHBondContact O-CD2 3.28Å; C8-F12 PolarHBondContact O-N 2.86Å
9W66.6Low62.2Low198 Ų198121.2 Ų121.275%0.7563%0.634SS**Hα-helixtrans-65.9-41.1177.4-77.437.5000113A5 F6 L11 F12 L13A5-W9 PolarHBondContact O-N 3.24Å; F6-W9 PolarHBondContact O-N 3.27Å; W9-L11 VanDerWaalsContact C-N 3.33Å; W9-F12 PolarHBondContact O-N 2.79Å; W9-L13 PolarHBondContact O-N 2.88Å
10V67Low63.1Low71 Ų71119.3 Ų119.343%0.4363%0.629SS.*Hα-helixtrans-64.6-40175.2174.40000110.8F6 L13 L14F6-V10 HydrophobicContact CD1-CG2 4.36Å; F6-V10 HydrophobicContact CE1-CG2 4.42Å; F6-V10 WeakPolarHBondContact O-CG2 3.35Å; F6-V10 PolarHBondContact O-N 2.85Å; F6-V10 VanDerWaalsContact O-N 3.13Å; V10-L13 PolarHBondContact O-N 2.04Å; V10-L14 HydrophobicContact CG1-CD1 4.27Å; V10-L14 WeakPolarHBondContact O-CG 3.49Å; V10-L14 PolarHBondContact O-N 2.65Å
11L62.4Low64.3Low98 Ų98120.1 Ų120.151%0.51363%0.631SS.*Hα-helixtrans-62.9-40.8174.6-74163.7000112S7 C8 W9 L13 L14 I15S7-L11 WeakPolarHBondContact O-CB 3.38Å; S7-L11 WeakPolarHBondContact O-CD1 3.38Å; S7-L11 VanDerWaalsContact O-CG 3.27Å; S7-L11 WeakPolarHBondContact O-CG 3.33Å; S7-L11 PolarHBondContact O-N 2.92Å; C8-L11 PolarHBondContact O-N 3.49Å; W9-L11 VanDerWaalsContact C-N 3.33Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.19Å; L11-L14 PolarHBondContact O-N 3.37Å; L11-I15 WeakPolarHBondContact O-CD1 3.11Å; L11-I15 WeakPolarHBondContact O-CG1 3.37Å; L11-I15 PolarHBondContact O-N 2.74Å
12F61Low66.4Low141 Ų141111 Ų11162%0.61859%0.588SS**Hα-helixtrans-62.7-35.8177-87.8-69.7000113.7C8 W9 I15 Y16C8-F12 WeakPolarHBondContact O-CD2 3.28Å; C8-F12 PolarHBondContact O-N 2.86Å; W9-F12 PolarHBondContact O-N 2.79Å; F12-I15 PolarHBondContact O-N 3.45Å; F12-Y16 PolarHBondContact O-N 3.1Å
13L62.9Low68.1Low144 Ų144107.7 Ų107.775%0.75458%0.575SS**Hα-helixtrans-69.6-32.3176.4-71.7173000112.8W9 V10 L11 I15W9-L13 PolarHBondContact O-N 2.88Å; V10-L13 PolarHBondContact O-N 2.04Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 3.19Å; L13-I15 VanDerWaalsContact C-N 3.31Å
14L61.1Low70Confident138 Ų138104.7 Ų104.772%0.72356%0.557SS**Hα-helixtrans-76.9-17.6179.3-67.4171.7000113.4V10 L11V10-L14 HydrophobicContact CG1-CD1 4.27Å; V10-L14 WeakPolarHBondContact O-CG 3.49Å; V10-L14 PolarHBondContact O-N 2.65Å; L11-L14 PolarHBondContact O-N 3.37Å
15I60.3Low71.7Confident120 Ų120103.8 Ų103.862%0.61555%0.549SS*.Hα-helixtrans-101.4-8.9-176.1-55.3159.7000111.6L11 F12 L13 P17L11-I15 WeakPolarHBondContact O-CD1 3.11Å; L11-I15 WeakPolarHBondContact O-CG1 3.37Å; L11-I15 PolarHBondContact O-N 2.74Å; F12-I15 PolarHBondContact O-N 3.45Å; L13-I15 VanDerWaalsContact C-N 3.31Å; I15-P17 WeakPolarHBondContact O-CD 3.34Å
16Y65.8Low73.2Confident186 Ų186109.7 Ų109.773%0.72957%0.568SS**SBendtrans-64.7113.3178.8-139.2-90.5000109.1F12 V18F12-Y16 PolarHBondContact O-N 3.1Å; Y16-V18 PolarHBondContact O-N 3.21Å
17P61.2Low74.7Confident97 Ų97104.4 Ų104.463%0.6355%0.551SS**  trans-65.4108.7177.926.7-31.2000107.2I15 V19I15-P17 WeakPolarHBondContact O-CD 3.34Å; P17-V19 PolarHBondContact O-N 3.13Å
18V68.7Low76Confident135 Ų135104.4 Ų104.482%0.81855%0.548SS*.  trans-71.289.9169.1-177.60000105.9Y16 P20Y16-V18 PolarHBondContact O-N 3.21Å; V18-P20 WeakPolarHBondContact O-CD 3.09Å
19V72.8Confident77.3Confident82 Ų82104.3 Ų104.350%0.49754%0.543SS..PPolyproline II helixtrans-69.1122.2172.6-171.80000106.9P17 M21 V50P17-V19 PolarHBondContact O-N 3.13Å; V19-M21 PolarHBondContact O-N 2.89Å; V19-V50 HydrophobicContact CB-CG2 4.23Å; V19-V50 HydrophobicContact CG1-CB 4.22Å; V19-V50 HydrophobicContact CG1-CG1 3.47Å; V19-V50 VanDerWaalsContact CG1-CG1 3.47Å; V19-V50 HydrophobicContact CG1-CG2 3.69Å
20P80.3Confident78.5Confident84 Ų8498.9 Ų98.955%0.54553%0.525SS..PPolyproline II helixtrans-62.8131.6-178.924.7-32.2000109.5V18 G49 V50V18-P20 WeakPolarHBondContact O-CD 3.09Å; P20-G49 WeakPolarHBondContact O-CA 3.02Å; P20-V50 PolarHBondContact O-N 3.11Å; P20-V50 VanDerWaalsContact O-N 3.12Å
21M88.7Confident79.6Confident136 Ų13695.6 Ų95.667%0.6751%0.505SS*.BIsolated β-bridgetrans-58.8167.5167.2-66-70.8-170.100109.7V19 L23V19-M21 PolarHBondContact O-N 2.89Å; M21-L23 HydrophobicContact CB-CD1 3.82Å; M21-L23 WeakPolarHBondContact O-CD1 3.13Å; M21-L23 PolarHBondContact O-N 2.79Å
22C95.3Very high81Confident16 Ų1694.1 Ų94.111%0.10850%0.496CS..SBendtrans-58.5109.9176.2-179.80000112.5V50 C72 H104C22-V50 PolarHBondContact N-O 2.86Å; C22-C72 WeakPolarHBondContact CA-SG 3.27Å; C22-C72 HydrophobicContact CB-CB 3.7Å; C22-C72 WeakPolarHBondContact CB-SG 3.37Å; C22-C72 WeakPolarHBondContact SG-CA 3.42Å; C22-C72 WeakPolarHBondContact SG-CB 3.17Å; C22-C72 CovalentContact SG-SG 2.03Å; C22-C72 PolarHBondContact SG-SG 2.97Å; C22-H104 PolarHBondContact SG-O 2.82Å
23L95.6Very high82.4Confident97 Ų9788.8 Ų88.851%0.50847%0.472SS..EExtended strand (participates in β ladder)trans-144.8159.2-179.3-79.5100.2000112.2M21 T25 M48 C103M21-L23 HydrophobicContact CB-CD1 3.82Å; M21-L23 WeakPolarHBondContact O-CD1 3.13Å; M21-L23 PolarHBondContact O-N 2.79Å; L23-T25 PolarHBondContact O-N 3.13Å; L23-T25 PolarHBondContact O-OG1 2.92Å; L23-M48 PolarHBondContact N-O 3.05Å; L23-M48 PolarHBondContact O-N 3.29Å; L23-M48 VanDerWaalsContact O-N 3.13Å; L23-M48 VanDerWaalsContact O-O 3.05Å; L23-C103 VanDerWaalsContact C-SG 3.59Å
24P96.6Very high83.8Confident54 Ų5487.6 Ų87.635%0.35147%0.473SS..EExtended strand (participates in β ladder)trans-62128.8169-19.831.8000111I46 A100 C103P24-I46 CarbonylContact C-O 3.52Å; P24-I46 WeakPolarHBondContact CA-O 3.32Å; P24-A100 HydrophobicContact CB-CB 4.22Å; P24-C103 VanDerWaalsContact N-SG 3.39Å
25T93.9Very high85.3Confident57 Ų5784.5 Ų84.535%0.3546%0.455SS..EExtended strand (participates in β ladder)trans-130.5136.5-177.6-57.40000109.5L23 S27 T45 I46L23-T25 PolarHBondContact O-N 3.13Å; L23-T25 PolarHBondContact O-OG1 2.92Å; T25-S27 PolarHBondContact O-N 3.35Å; T25-T45 CarbonylContact O-C 3.56Å; T25-T45 VanDerWaalsContact O-CA 3.32Å; T25-T45 WeakPolarHBondContact O-CA 3.49Å; T25-I46 PolarHBondContact N-O 3.48Å; T25-I46 PolarHBondContact O-N 3.07Å
26E93.6Very high86.8Confident174 Ų17478.8 Ų78.881%0.81343%0.426SS*.EExtended strand (participates in β ladder)trans-64.8132.1176.4-65.5-167.8143.600110.7T44 T45E26-T44 WeakPolarHBondContact CA-O 3.37Å; E26-T45 HydrophobicContact CG-CG2 4.28Å
27S90.6Very high88Confident46 Ų4675.2 Ų75.232%0.32242%0.419SS..EExtended strand (participates in β ladder)trans-145.7155.6178.5-173.10000110.2T25 T44T25-S27 PolarHBondContact O-N 3.35Å; S27-T44 PolarHBondContact N-O 3.31Å; S27-T44 PolarHBondContact O-N 3.02Å
28T89.8Confident89.4Confident62 Ų6274 Ų7438%0.3840%0.403SS..EExtended strand (participates in β ladder)trans-96116.1174.5-55.30000109F30 A41 V42T28-F30 HydrophobicContact CG2-CE1 4.35Å; T28-F30 HydrophobicContact CG2-CE2 4.04Å; T28-F30 HydrophobicContact CG2-CZ 3.93Å; T28-A41 HydrophobicContact CG2-CB 3.87Å; T28-V42 CarbonylContact C-O 3.59Å; T28-V42 WeakPolarHBondContact CA-O 3.23Å
29L89.8Confident90.5Very high54 Ų5467.6 Ų67.628%0.28336%0.364SS..EExtended strand (participates in β ladder)trans-88.5129.6171.7179.666.4000109.5V31 A41 V42 T44 Y97L29-V31 HydrophobicContact CD2-CG2 3.79Å; L29-V31 HydrophobicContact CG-CG2 3.81Å; L29-A41 WeakPolarHBondContact O-CA 3.27Å; L29-V42 PolarHBondContact N-O 2Å; L29-V42 PolarHBondContact O-N 2.85Å; L29-T44 HydrophobicContact CB-CG2 3.88Å; L29-Y97 HydrophobicContact CD2-CD2 4.13Å; L29-Y97 HydrophobicContact CD2-CG 4.01Å
30F90.8Very high91.4Very high85 Ų8563.7 Ų63.737%0.37334%0.34SS..EExtended strand (participates in β ladder)trans-100120.7173.7-67.5-83.5000109.3T28 A41 A124 V130T28-F30 HydrophobicContact CG2-CE1 4.35Å; T28-F30 HydrophobicContact CG2-CE2 4.04Å; T28-F30 HydrophobicContact CG2-CZ 3.93Å; F30-A41 HydrophobicContact CD1-CB 3.98Å; F30-A41 HydrophobicContact CE1-CB 3.79Å; F30-A124 VanDerWaalsContact CD2-O 3.27Å; F30-A124 WeakPolarHBondContact CD2-O 3.28Å; F30-V130 HydrophobicContact CD1-CG1 4.32Å; F30-V130 HydrophobicContact CE1-CG1 4.14Å
31V90.7Very high91.9Very high2 Ų260.1 Ų60.11%0.01232%0.317CS..EExtended strand (participates in β ladder)trans-117.2126.1-174-179.40000109.6L29 C39 V40 V42 L84 Y95L29-V31 HydrophobicContact CD2-CG2 3.79Å; L29-V31 HydrophobicContact CG-CG2 3.81Å; V31-C39 CarbonylContact O-C 3.56Å; V31-C39 WeakPolarHBondContact O-CA 2.96Å; V31-V40 PolarHBondContact N-O 2.8Å; V31-V40 PolarHBondContact O-N 2.98Å; V31-V42 HydrophobicContact CG2-CG2 4.46Å; V31-L84 HydrophobicContact CG1-CD1 4.11Å; V31-L84 HydrophobicContact CG1-CD2 4.3Å; V31-Y95 HydrophobicContact CB-CD1 4.25Å; V31-Y95 HydrophobicContact CB-CE1 4.33Å; V31-Y95 HydrophobicContact CG1-CD1 3.3Å; V31-Y95 HydrophobicContact CG1-CD2 3.62Å; V31-Y95 HydrophobicContact CG1-CE1 3.59Å; V31-Y95 HydrophobicContact CG1-CE2 3.9Å; V31-Y95 HydrophobicContact CG1-CG 3.31Å; V31-Y95 HydrophobicContact CG2-CD1 3.89Å; V31-Y95 HydrophobicContact CG2-CE1 3.73Å
32E90.8Very high91.9Very high66 Ų6654.3 Ų54.331%0.30829%0.289SS..  trans-133.4140.5178.2-166.1178.9137.200110.2C39 A127 K128E32-C39 HydrophobicContact CB-CB 4.35Å; E32-C39 HydrophobicContact CG-CB 4.39Å; E32-A127 PolarHBondContact OE2-N 3.33Å; E32-K128 HydrophobicContact CG-CB 4.34Å; E32-K128 HydrophobicContact CG-CD 3.77Å; E32-K128 HydrophobicContact CG-CG 4.25Å; E32-K128 VanDerWaalsContact OE1-CD 3.27Å; E32-K128 WeakPolarHBondContact OE1-CD 3.41Å; E32-K128 WeakPolarHBondContact OE1-CE 3.27Å; E32-K128 VanDerWaalsContact OE1-CG 3.28Å; E32-K128 WeakPolarHBondContact OE1-CG 3.49Å; E32-K128 IonicContact OE1-NZ 3.68Å; E32-K128 PolarHBondContact OE2-N 3.13Å; E32-K128 VanDerWaalsContact OE2-N 3.13Å
33K91.6Very high91.7Very high30 Ų3059.8 Ų59.813%0.1332%0.318CS..  trans-121.7141170-77.4-178.7162.6-1500110.2E35 C36 L84 N92 A94 K128K33-E35 VanDerWaalsContact C-N 3.27Å; K33-E35 HydrophobicContact CB-CG 4.3Å; K33-E35 WeakPolarHBondContact CD-OE1 3.29Å; K33-E35 IonicContact NZ-OE1 3.11Å; K33-E35 PolarHBondContact O-N 2.84Å; K33-C36 HydrophobicContact CB-CB 4.39Å; K33-C36 PolarHBondContact O-N 2.92Å; K33-L84 HydrophobicContact CB-CD2 3.96Å; K33-L84 HydrophobicContact CD-CD1 4.19Å; K33-L84 HydrophobicContact CD-CD2 4.31Å; K33-L84 HydrophobicContact CG-CD2 3.97Å; K33-N92 PolarHBondContact NZ-O 2.8Å; K33-A94 VanDerWaalsContact CE-O 3.28Å; K33-A94 WeakPolarHBondContact CE-O 3.49Å; K33-A94 PolarHBondContact NZ-O 3.28Å; K33-K128 PolarHBondContact O-NZ 3.26Å
34P91.6Very high91.5Very high119 Ų11955.7 Ų55.777%0.77330%0.297SS*.THydrogen-bonded Turntrans-53.9-41.4178.3-27.534.8000113.7C36 K128P34-C36 VanDerWaalsContact C-N 3.29Å; P34-C36 PolarHBondContact O-N 3.02Å; P34-K128 PolarHBondContact O-NZ 2.91Å
35E92.3Very high91.4Very high73 Ų7354.6 Ų54.634%0.34129%0.289SS..THydrogen-bonded Turntrans-76.8-2.8-176.161.8-91.8-156.300115.7K33 C87 A88K33-E35 VanDerWaalsContact C-N 3.27Å; K33-E35 HydrophobicContact CB-CG 4.3Å; K33-E35 WeakPolarHBondContact CD-OE1 3.29Å; K33-E35 IonicContact NZ-OE1 3.11Å; K33-E35 PolarHBondContact O-N 2.84Å; E35-C87 WeakPolarHBondContact O-CA 3.26Å; E35-A88 PolarHBondContact O-N 2.71Å
36C91.8Very high91.5Very high0 Ų054.4 Ų54.40%029%0.286CS..BIsolated β-bridgetrans-119.2143-177.4-52.30000112.2K33 P34 Y38 L84 G86 C87 K128K33-C36 HydrophobicContact CB-CB 4.39Å; K33-C36 PolarHBondContact O-N 2.92Å; P34-C36 VanDerWaalsContact C-N 3.29Å; P34-C36 PolarHBondContact O-N 3.02Å; C36-Y38 VanDerWaalsContact C-N 3.32Å; C36-Y38 PolarHBondContact O-N 2.97Å; C36-L84 HydrophobicContact CB-CB 4.16Å; C36-L84 HydrophobicContact CB-CD2 4.35Å; C36-G86 CarbonylContact C-O 3.58Å; C36-G86 WeakPolarHBondContact CA-O 3.48Å; C36-C87 HydrophobicContact CB-CB 4.04Å; C36-C87 WeakPolarHBondContact CB-SG 3.3Å; C36-C87 WeakPolarHBondContact SG-CB 2.99Å; C36-C87 CovalentContact SG-SG 2.04Å; C36-C87 PolarHBondContact SG-SG 2.84Å; C36-K128 WeakPolarHBondContact O-CD 2.97Å; C36-K128 WeakPolarHBondContact O-CE 3.26Å; C36-K128 PolarHBondContact O-NZ 3.3Å
37D92.3Very high91.5Very high111 Ų11147.1 Ų47.159%0.59425%0.254SS*.SBendtrans-77.4-13.6-173.7-65.5-31.5000115.1G86D37-G86 PolarHBondContact N-O 3.24Å
38Y90.7Very high91.6Very high72 Ų7250.7 Ų50.728%0.28227%0.267SS..  trans-125.5150.6-173.2-64-81.9000112.3C36 P85 P129 R131C36-Y38 VanDerWaalsContact C-N 3.32Å; C36-Y38 PolarHBondContact O-N 2.97Å; Y38-P85 HydrophobicContact CD2-CB 4.25Å; Y38-P85 HydrophobicContact CD2-CG 4.03Å; Y38-P85 HydrophobicContact CG-CG 4.17Å; Y38-P129 HydrophobicContact CD1-CB 4.29Å; Y38-P129 HydrophobicContact CD1-CG 3.82Å; Y38-P129 HydrophobicContact CE1-CG 4.02Å; Y38-R131 HydrophobicContact CD1-CG 4Å
39C91.2Very high91.7Very high0 Ų049.1 Ų49.10%026%0.262CS..EExtended strand (participates in β ladder)trans-94.7145.3164.2155.60000110.2V31 E32 C126 K128 P129 V130 R131V31-C39 CarbonylContact O-C 3.56Å; V31-C39 WeakPolarHBondContact O-CA 2.96Å; E32-C39 HydrophobicContact CB-CB 4.35Å; E32-C39 HydrophobicContact CG-CB 4.39Å; C39-C126 HydrophobicContact CB-CB 3.29Å; C39-C126 WeakPolarHBondContact CB-SG 3.38Å; C39-C126 WeakPolarHBondContact SG-CB 3.19Å; C39-C126 CovalentContact SG-SG 2Å; C39-C126 PolarHBondContact SG-SG 3.06Å; C39-K128 HydrophobicContact CB-CB 4.27Å; C39-P129 PolarHBondContact N-O 2.99Å; C39-V130 HydrophobicContact CB-CG2 4.48Å; C39-V130 CarbonylContact O-C 3.59Å; C39-V130 WeakPolarHBondContact O-CA 3.44Å; C39-R131 PolarHBondContact O-N 3.37Å
40V90.8Very high91.8Very high0 Ų049.8 Ų49.80%027%0.269CS..EExtended strand (participates in β ladder)trans-113.4128.4178.9175.90000110.8V31 V42 V82 L84 R131 V133V31-V40 PolarHBondContact N-O 2.8Å; V31-V40 PolarHBondContact O-N 2.98Å; V40-V42 HydrophobicContact CG1-CG2 3.64Å; V40-V82 HydrophobicContact CG1-CG2 4.11Å; V40-L84 HydrophobicContact CG2-CG 4.23Å; V40-R131 WeakPolarHBondContact CA-O 3.27Å; V40-V133 HydrophobicContact CB-CG2 4.36Å; V40-V133 HydrophobicContact CG1-CB 3.95Å; V40-V133 HydrophobicContact CG1-CG2 3.33Å; V40-V133 HydrophobicContact CG2-CG2 4.07Å
41A90.9Very high91.9Very high8 Ų846.9 Ų46.97%0.06626%0.259CS..EExtended strand (participates in β ladder)trans-91.2119.416900000110.2T28 L29 F30 V130 R131 R132T28-A41 HydrophobicContact CG2-CB 3.87Å; L29-A41 WeakPolarHBondContact O-CA 3.27Å; F30-A41 HydrophobicContact CD1-CB 3.98Å; F30-A41 HydrophobicContact CE1-CB 3.79Å; A41-V130 HydrophobicContact CB-CG1 3.93Å; A41-R131 PolarHBondContact N-O 3.03Å; A41-R132 HydrophobicContact CB-CG 4.4Å
42V89.6Confident91.9Very high14 Ų1454.1 Ų54.19%0.08529%0.29CS..EExtended strand (participates in β ladder)trans-119.4129.4-176.6-173.60000110.2T28 L29 V31 V40 T44 V82 Y97T28-V42 CarbonylContact C-O 3.59Å; T28-V42 WeakPolarHBondContact CA-O 3.23Å; L29-V42 PolarHBondContact N-O 2Å; L29-V42 PolarHBondContact O-N 2.85Å; V31-V42 HydrophobicContact CG2-CG2 4.46Å; V40-V42 HydrophobicContact CG1-CG2 3.64Å; V42-T44 PolarHBondContact O-N 2.96Å; V42-V82 HydrophobicContact CG2-CB 4.4Å; V42-V82 HydrophobicContact CG2-CG1 4.2Å; V42-V82 HydrophobicContact CG2-CG2 4.24Å; V42-Y97 HydrophobicContact CG1-CE1 3.94Å; V42-Y97 HydrophobicContact CG1-CE2 3.86Å; V42-Y97 VanDerWaalsContact CG1-CZ 3.45Å; V42-Y97 VanDerWaalsContact CG1-OH 3.32Å; V42-Y97 WeakPolarHBondContact CG1-OH 3.02Å
43N91.4Very high91.8Very high132 Ų13254.7 Ų54.771%0.70630%0.299SS*.EExtended strand (participates in β ladder)trans-76.6124.5170.8-66.9-1.7000109.3
44T91.5Very high91.6Very high11 Ų1161.2 Ų61.27%0.06732%0.322CS..EExtended strand (participates in β ladder)trans-139.4175.1177.3-167.80000109.9E26 S27 L29 V42 I46 P98E26-T44 WeakPolarHBondContact CA-O 3.37Å; S27-T44 PolarHBondContact N-O 3.31Å; S27-T44 PolarHBondContact O-N 3.02Å; L29-T44 HydrophobicContact CB-CG2 3.88Å; V42-T44 PolarHBondContact O-N 2.96Å; T44-I46 HydrophobicContact CG2-CG2 4.15Å; T44-P98 PolarHBondContact OG1-O 2.04Å; T44-P98 VanDerWaalsContact OG1-O 3.06Å
45T94.8Very high91.3Very high31 Ų3160 Ų6019%0.1931%0.309CS..EExtended strand (participates in β ladder)trans-110135.8170.551.30000109.5T25 E26 V99 A100T25-T45 CarbonylContact O-C 3.56Å; T25-T45 VanDerWaalsContact O-CA 3.32Å; T25-T45 WeakPolarHBondContact O-CA 3.49Å; E26-T45 HydrophobicContact CG-CG2 4.28Å; T45-V99 WeakPolarHBondContact OG1-CG1 3.46Å; T45-A100 VanDerWaalsContact O-CB 3.3Å; T45-A100 WeakPolarHBondContact O-CB 3.04Å; T45-A100 PolarHBondContact O-N 3.13Å; T45-A100 PolarHBondContact OG1-N 3.4Å; T45-A100 VanDerWaalsContact OG1-N 3.14Å; T45-A100 PolarHBondContact OG1-O 3.41Å
46I94.1Very high90.7Very high53 Ų5357.6 Ų57.627%0.27230%0.3SS..EExtended strand (participates in β ladder)trans-123.6162.7176.763.9172000110.1P24 T25 T44P24-I46 CarbonylContact C-O 3.52Å; P24-I46 WeakPolarHBondContact CA-O 3.32Å; T25-I46 PolarHBondContact N-O 3.48Å; T25-I46 PolarHBondContact O-N 3.07Å; T44-I46 HydrophobicContact CG2-CG2 4.15Å
47C93.9Very high90.1Very high21 Ų2165.8 Ų65.814%0.14234%0.344CS..EExtended strand (participates in β ladder)trans-84.1119.7173.7-66.90000111.2Y74 C103C47-Y74 VanDerWaalsContact SG-CD1 3.57Å; C47-C103 WeakPolarHBondContact CA-SG 3.49Å; C47-C103 HydrophobicContact CB-CB 3.73Å; C47-C103 WeakPolarHBondContact CB-SG 3.49Å; C47-C103 VanDerWaalsContact SG-CA 3.58Å; C47-C103 WeakPolarHBondContact SG-CB 3.37Å; C47-C103 CovalentContact SG-SG 2.03Å; C47-C103 PolarHBondContact SG-SG 3.12Å
48M92.8Very high89.1Confident121 Ų12165 Ų6560%0.59634%0.339SS*.EExtended strand (participates in β ladder)trans-138.3150.9178.4-167.7174.5-179.300110.2L23L23-M48 PolarHBondContact N-O 3.05Å; L23-M48 PolarHBondContact O-N 3.29Å; L23-M48 VanDerWaalsContact O-N 3.13Å; L23-M48 VanDerWaalsContact O-O 3.05Å
49G92.1Very high88Confident28 Ų2864.2 Ų64.229%0.28935%0.353SS..SBendtrans135.6-171.7177.100000112.1P20P20-G49 WeakPolarHBondContact O-CA 3.02Å
50V91.6Very high86.8Confident69 Ų6971.3 Ų71.342%0.41839%0.391SS..BIsolated β-bridgetrans-106.3150.5-178.7-650000112.6V19 P20 C22V19-V50 HydrophobicContact CB-CG2 4.23Å; V19-V50 HydrophobicContact CG1-CB 4.22Å; V19-V50 HydrophobicContact CG1-CG1 3.47Å; V19-V50 VanDerWaalsContact CG1-CG1 3.47Å; V19-V50 HydrophobicContact CG1-CG2 3.69Å; P20-V50 PolarHBondContact O-N 3.11Å; P20-V50 VanDerWaalsContact O-N 3.12Å; C22-V50 PolarHBondContact N-O 2.86Å
51C92.8Very high85.6Confident24 Ų2478.6 Ų78.616%0.16243%0.428CS..  trans-126.4142.8175.3-70.60000110T53 R70 S71 C72 C105C51-T53 PolarHBondContact O-N 2.98Å; C51-R70 HydrophobicContact CB-CB 4.34Å; C51-S71 VanDerWaalsContact SG-C 3.58Å; C51-C72 PolarHBondContact SG-N 2.82Å; C51-C105 WeakPolarHBondContact CA-SG 3.08Å; C51-C105 HydrophobicContact CB-CB 3.72Å; C51-C105 WeakPolarHBondContact CB-SG 3.46Å; C51-C105 WeakPolarHBondContact SG-CA 3.34Å; C51-C105 WeakPolarHBondContact SG-CB 3.47Å; C51-C105 CovalentContact SG-SG 2.04Å; C51-C105 PolarHBondContact SG-SG 3.31Å
52F90.6Very high84.2Confident153 Ų15383 Ų8367%0.67145%0.446SS*.  trans-65.5129173.9178.1-96.8000110.2R54 F68F52-R54 HydrophobicContact CE1-CB 4.15Å; F52-R54 HydrophobicContact CZ-CB 4.32Å; F52-F68 HydrophobicContact CD1-CD1 4.42Å; F52-F68 HydrophobicContact CD1-CE1 4.19Å
53T90.1Very high82.9Confident79 Ų7985.4 Ų85.449%0.48546%0.456SS..  trans-127.8154.7173.859.90000109.5C51 F68 R70C51-T53 PolarHBondContact O-N 2.98Å; T53-F68 CarbonylContact C-O 3.55Å; T53-F68 VanDerWaalsContact CA-O 3.28Å; T53-F68 WeakPolarHBondContact CA-O 3.46Å; T53-F68 WeakPolarHBondContact CB-O 3.46Å; T53-R70 WeakPolarHBondContact CG2-O 3.4Å
54R87.3Confident81.7Confident167 Ų16784.1 Ų84.163%0.6346%0.458SS*.BIsolated β-bridgetrans-138.5132.9177.2176.8-179.4173.9174.1-1109.2F52 F68F52-R54 HydrophobicContact CE1-CB 4.15Å; F52-R54 HydrophobicContact CZ-CB 4.32Å; R54-F68 HydrophobicContact CB-CB 4.2Å; R54-F68 PolarHBondContact N-O 3.04Å; R54-F68 PolarHBondContact O-N 3.21Å
55D83.8Confident80.6Confident92 Ų9293 Ų9349%0.49249%0.49SS..  trans-108.7158.5172.5-156.7-4.8000110.6H63 V67D55-H63 IonicContact OD1-CE1 3.48Å; D55-H63 PolarHBondContact OD1-CE1 2.9Å; D55-H63 IonicContact OD1-ND1 3.42Å; D55-H63 IonicContact OD1-NE2 3.98Å; D55-V67 WeakPolarHBondContact OD1-CG2 2.99Å
56S80.9Confident79.4Confident23 Ų2397 Ų9716%0.16151%0.505CS..  trans-103127178.4-171.50000111I58S56-I58 PolarHBondContact O-N 3.27Å; S56-I58 VanDerWaalsContact OG-CG2 3.32Å; S56-I58 WeakPolarHBondContact OG-CG2 3.19Å; S56-I58 PolarHBondContact OG-N 3.14Å
57N78.3Confident78.7Confident173 Ų17396.3 Ų96.393%0.92550%0.503SS*.  trans-79.92.2173.2-61.1-30.2000112.9
58I72.9Confident78.3Confident94 Ų9499 Ų9948%0.48251%0.513SS..SBendtrans-83.3142.4179.6-143.4129.1000110.2S56 F62 F66S56-I58 PolarHBondContact O-N 3.27Å; S56-I58 VanDerWaalsContact OG-CG2 3.32Å; S56-I58 WeakPolarHBondContact OG-CG2 3.19Å; S56-I58 PolarHBondContact OG-N 3.14Å; I58-F62 HydrophobicContact CG2-CB 4.02Å; I58-F66 HydrophobicContact CG2-CD2 4.15Å
59G66.4Low78Confident56 Ų56100 Ų10058%0.57752%0.516SS*.  trans-55.9160.7-17600000114.8I61 F62G59-I61 PolarHBondContact O-N 3.48Å; G59-F62 PolarHBondContact O-N 3.42Å
60D66.3Low78Confident148 Ų148104 Ų10479%0.79152%0.522SS*.G310 helixtrans-44.3-32.6-162.6-136.1-4.7000116.2F62 H63D60-F62 PolarHBondContact O-N 2.85Å; D60-F62 VanDerWaalsContact O-N 3.15Å; D60-H63 PolarHBondContact O-N 2.76Å
61I65.4Low78Confident154 Ų154102.9 Ų102.979%0.7952%0.517SS*.G310 helixtrans-61.6-28.1-173.9-59.2173.1000113.2G59G59-I61 PolarHBondContact O-N 3.48Å
62F62Low78.1Confident100 Ų100103.2 Ų103.244%0.43952%0.519SS..G310 helixtrans-119.18.3179.5-61.5-75.4000114.2I58 G59 D60 S64 R65 F66I58-F62 HydrophobicContact CG2-CB 4.02Å; G59-F62 PolarHBondContact O-N 3.42Å; D60-F62 PolarHBondContact O-N 2.85Å; D60-F62 VanDerWaalsContact O-N 3.15Å; F62-S64 PolarHBondContact O-N 3.06Å; F62-R65 PolarHBondContact O-N 3.47Å; F62-F66 HydrophobicContact CB-CD2 3.95Å; F62-F66 HydrophobicContact CB-CE2 3.76Å; F62-F66 HydrophobicContact CG-CE2 4.46Å; F62-F66 VanDerWaalsContact O-CD2 3.26Å; F62-F66 WeakPolarHBondContact O-CD2 3.4Å
63H62.5Low78.2Confident65 Ų6596.3 Ų96.330%0.30149%0.49SS..Hα-helixtrans-56.5-50.9-169.9-172.271000112.3D55 D60 R65 F66 V67D55-H63 IonicContact OD1-CE1 3.48Å; D55-H63 PolarHBondContact OD1-CE1 2.9Å; D55-H63 IonicContact OD1-ND1 3.42Å; D55-H63 IonicContact OD1-NE2 3.98Å; D60-H63 PolarHBondContact O-N 2.76Å; H63-R65 PolarHBondContact O-N 2.03Å; H63-R65 VanDerWaalsContact O-N 3.09Å; H63-F66 PolarHBondContact O-N 2.79Å; H63-F66 VanDerWaalsContact O-N 3.12Å; H63-V67 WeakPolarHBondContact O-CG2 3.04Å; H63-V67 PolarHBondContact O-N 3.03Å
64S65.9Low78.4Confident104 Ų10495.9 Ų95.973%0.72748%0.48SS*.Hα-helixtrans-62.1-22.4-177.8660000115.5F62F62-S64 PolarHBondContact O-N 3.06Å
65R68.8Low78.7Confident198 Ų19891.9 Ų91.975%0.74747%0.471SS*.Hα-helixtrans-81.4-19.4179.9-67.2-170.9-176.1-176.91.9113.5F62 H63F62-R65 PolarHBondContact O-N 3.47Å; H63-R65 PolarHBondContact O-N 2.03Å; H63-R65 VanDerWaalsContact O-N 3.09Å
66F68.4Low79.3Confident114 Ų11493.8 Ų93.850%0.548%0.475SS..Hα-helixtrans-116.3-2.8-174.2-63.9-66.6000113I58 F62 H63I58-F66 HydrophobicContact CG2-CD2 4.15Å; F62-F66 HydrophobicContact CB-CD2 3.95Å; F62-F66 HydrophobicContact CB-CE2 3.76Å; F62-F66 HydrophobicContact CG-CE2 4.46Å; F62-F66 VanDerWaalsContact O-CD2 3.26Å; F62-F66 WeakPolarHBondContact O-CD2 3.4Å; H63-F66 PolarHBondContact O-N 2.79Å; H63-F66 VanDerWaalsContact O-N 3.12Å
67V79.6Confident79.9Confident40 Ų4095.5 Ų95.524%0.24248%0.484CS..  trans-79.1131.7172.9171.90000110D55 H63 Q69D55-V67 WeakPolarHBondContact OD1-CG2 2.99Å; H63-V67 WeakPolarHBondContact O-CG2 3.04Å; H63-V67 PolarHBondContact O-N 3.03Å; V67-Q69 HydrophobicContact CG1-CB 4.5Å; V67-Q69 HydrophobicContact CG1-CG 3.69Å
68F84.7Confident80.7Confident77 Ų7790 Ų9034%0.33845%0.453SS..BIsolated β-bridgetrans-129.790.9176.6-175-98.1000108.9F52 T53 R54 R70F52-F68 HydrophobicContact CD1-CD1 4.42Å; F52-F68 HydrophobicContact CD1-CE1 4.19Å; T53-F68 CarbonylContact C-O 3.55Å; T53-F68 VanDerWaalsContact CA-O 3.28Å; T53-F68 WeakPolarHBondContact CA-O 3.46Å; T53-F68 WeakPolarHBondContact CB-O 3.46Å; R54-F68 HydrophobicContact CB-CB 4.2Å; R54-F68 PolarHBondContact N-O 3.04Å; R54-F68 PolarHBondContact O-N 3.21Å; F68-R70 HydrophobicContact CD1-CG 4.37Å; F68-R70 HydrophobicContact CE1-CG 4.03Å; F68-R70 HydrophobicContact CZ-CG 4.36Å
69Q88.3Confident81.6Confident142 Ų14290.7 Ų90.766%0.66445%0.451SS*.  trans-104.7127.6176.9-70.3-179.1-0.800109.4V67V67-Q69 HydrophobicContact CG1-CB 4.5Å; V67-Q69 HydrophobicContact CG1-CG 3.69Å
70R91.4Very high82.9Confident112 Ų11292.3 Ų92.342%0.42344%0.439SS..  trans-133.6138.8176.9-69.4-174.9172.3179.3-0.3108.7C51 T53 F68 G106C51-R70 HydrophobicContact CB-CB 4.34Å; T53-R70 WeakPolarHBondContact CG2-O 3.4Å; F68-R70 HydrophobicContact CD1-CG 4.37Å; F68-R70 HydrophobicContact CE1-CG 4.03Å; F68-R70 HydrophobicContact CZ-CG 4.36Å; R70-G106 CarbonylContact C-O 3.59Å; R70-G106 VanDerWaalsContact CA-O 3.26Å; R70-G106 WeakPolarHBondContact CA-O 3.32Å
71S92.4Very high84.1Confident45 Ų4588.4 Ų88.432%0.31542%0.421SS..EExtended strand (participates in β ladder)trans-108.2159.9171.159.50000110.1C51 T73 C105 G106C51-S71 VanDerWaalsContact SG-C 3.58Å; S71-T73 PolarHBondContact O-N 2.71Å; S71-C105 WeakPolarHBondContact O-CA 3.19Å; S71-G106 PolarHBondContact N-O 3.12Å; S71-G106 PolarHBondContact O-N 3.39Å
72C94Very high85.2Confident31 Ų3181.4 Ų81.421%0.20939%0.385CS..EExtended strand (participates in β ladder)trans-75.5115.9167.1-176.30000107.9C22 C51C22-C72 WeakPolarHBondContact CA-SG 3.27Å; C22-C72 HydrophobicContact CB-CB 3.7Å; C22-C72 WeakPolarHBondContact CB-SG 3.37Å; C22-C72 WeakPolarHBondContact SG-CA 3.42Å; C22-C72 WeakPolarHBondContact SG-CB 3.17Å; C22-C72 CovalentContact SG-SG 2.03Å; C22-C72 PolarHBondContact SG-SG 2.97Å; C51-C72 PolarHBondContact SG-N 2.82Å
73T93.7Very high86.6Confident9 Ų980.9 Ų80.96%0.05539%0.386CS..EExtended strand (participates in β ladder)trans-134.8166.1-178-173.40000111.2S71 C103 H104 D113S71-T73 PolarHBondContact O-N 2.71Å; T73-C103 WeakPolarHBondContact O-CA 3.26Å; T73-H104 VanDerWaalsContact CG2-CE1 3.49Å; T73-H104 WeakPolarHBondContact CG2-CE1 3.48Å; T73-H104 PolarHBondContact N-O 3.18Å; T73-H104 PolarHBondContact O-N 2.88Å; T73-H104 PolarHBondContact O-ND1 3.25Å; T73-D113 PolarHBondContact OG1-OD2 3.48Å
74Y93.9Very high87.9Confident69 Ų6978 Ų7827%0.27137%0.373SS..EExtended strand (participates in β ladder)trans-65131.9179-62.8-85.6000111C47 V77 A100 H104C47-Y74 VanDerWaalsContact SG-CD1 3.57Å; Y74-V77 HydrophobicContact CD1-CG1 3.48Å; Y74-V77 VanDerWaalsContact CD1-CG1 3.48Å; Y74-V77 HydrophobicContact CE1-CG1 4.33Å; Y74-V77 HydrophobicContact CG-CG1 3.74Å; Y74-A100 HydrophobicContact CD1-CB 3.89Å; Y74-A100 HydrophobicContact CE1-CB 3.75Å; Y74-H104 PolarHBondContact O-CE1 3.07Å; Y74-H104 VanDerWaalsContact O-CE1 3.3Å; Y74-H104 PolarHBondContact O-ND1 2.87Å
75D93.9Very high89Confident83 Ų8374.9 Ų74.944%0.44435%0.35SS..EExtended strand (participates in β ladder)trans-97.6-58.8169172.343.7000109.8S102 H104D75-S102 WeakPolarHBondContact CB-OG 3.48Å; D75-S102 PolarHBondContact N-O 3.19Å; D75-S102 PolarHBondContact OD2-OG 3.36Å; D75-H104 HydrophobicContact CB-CB 4.23Å; D75-H104 WeakPolarHBondContact CB-ND1 3.28Å
76K94.8Very high90Very high132 Ų13267.2 Ų67.257%0.57433%0.332SS*.EExtended strand (participates in β ladder)trans-122.7133174.7-62174.8-173.6175.20110.5I101 S102K76-I101 HydrophobicContact CB-CB 4.14Å; K76-I101 PolarHBondContact O-N 3.06Å; K76-S102 VanDerWaalsContact CB-OG 3.29Å; K76-S102 WeakPolarHBondContact CB-OG 3.04Å; K76-S102 WeakPolarHBondContact CG-OG 3.37Å; K76-S102 PolarHBondContact N-O 3.09Å; K76-S102 PolarHBondContact N-OG 3.2Å; K76-S102 PolarHBondContact O-N 2.96Å
77V93.6Very high91.2Very high59 Ų5963.4 Ų63.436%0.35832%0.32SS..EExtended strand (participates in β ladder)trans-125.1140.6179.1-64.10000110.4Y74 Y79 V99Y74-V77 HydrophobicContact CD1-CG1 3.48Å; Y74-V77 VanDerWaalsContact CD1-CG1 3.48Å; Y74-V77 HydrophobicContact CE1-CG1 4.33Å; Y74-V77 HydrophobicContact CG-CG1 3.74Å; V77-Y79 HydrophobicContact CG2-CD2 4.44Å; V77-Y79 HydrophobicContact CG2-CE2 3.74Å; V77-V99 WeakPolarHBondContact CA-O 3.45Å
78E95Very high91.8Very high59 Ų5964.3 Ų64.328%0.27633%0.332SS..EExtended strand (participates in β ladder)trans-108.8134.5166.2-176.6-168.8136.900107.2R80 P98 V99 I101E78-R80 IonicContact OE1-CZ 3.78Å; E78-R80 IonicContact OE1-NE 3.91Å; E78-R80 PolarHBondContact OE1-NE 3.3Å; E78-R80 IonicContact OE1-NH2 3.07Å; E78-R80 PolarHBondContact OE1-NH2 3.47Å; E78-R80 VanDerWaalsContact OE1-NH2 3.11Å; E78-R80 IonicContact OE2-NH2 2.82Å; E78-R80 PolarHBondContact OE2-NH2 3.47Å; E78-P98 CarbonylContact O-C 3.52Å; E78-V99 HydrophobicContact CB-CB 4.47Å; E78-V99 PolarHBondContact N-O 3.45Å; E78-V99 WeakPolarHBondContact O-CB 3Å; E78-V99 PolarHBondContact O-N 3.5Å; E78-I101 HydrophobicContact CB-CD1 3.84Å; E78-I101 HydrophobicContact CB-CG1 3.92Å
79Y93.6Very high92.1Very high108 Ų10869.3 Ų69.342%0.42436%0.36SS..EExtended strand (participates in β ladder)trans-97.4131.9175.3-66-93.7000110.3V77 T96 Y97 P98 M143V77-Y79 HydrophobicContact CG2-CD2 4.44Å; V77-Y79 HydrophobicContact CG2-CE2 3.74Å; Y79-T96 HydrophobicContact CD1-CG2 4.09Å; Y79-T96 HydrophobicContact CG-CG2 4.29Å; Y79-Y97 WeakPolarHBondContact CA-O 3.39Å; Y79-P98 HydrophobicContact CD1-CB 4.21Å; Y79-P98 HydrophobicContact CE1-CB 3.98Å; Y79-M143 VanDerWaalsContact CB-CE 3.49Å; Y79-M143 HydrophobicContact CD2-CE 4.28Å; Y79-M143 HydrophobicContact CG-CE 4.39Å; Y79-M143 WeakPolarHBondContact O-CE 3.29Å
80R92.1Very high92.2Very high90 Ų9066.7 Ų66.734%0.3437%0.371SS..EExtended strand (participates in β ladder)trans-118.8157.4175.9-67.4-170-176.2164.84.9110.1E78 T96 Y97 V99E78-R80 IonicContact OE1-CZ 3.78Å; E78-R80 IonicContact OE1-NE 3.91Å; E78-R80 PolarHBondContact OE1-NE 3.3Å; E78-R80 IonicContact OE1-NH2 3.07Å; E78-R80 PolarHBondContact OE1-NH2 3.47Å; E78-R80 VanDerWaalsContact OE1-NH2 3.11Å; E78-R80 IonicContact OE2-NH2 2.82Å; E78-R80 PolarHBondContact OE2-NH2 3.47Å; R80-T96 CarbonylContact O-C 3.56Å; R80-T96 VanDerWaalsContact O-CA 3.27Å; R80-T96 WeakPolarHBondContact O-CA 3.39Å; R80-Y97 HydrophobicContact CB-CD1 4.47Å; R80-Y97 HydrophobicContact CB-CE1 3.79Å; R80-Y97 HydrophobicContact CB-CE2 4.12Å; R80-Y97 PolarHBondContact N-O 3.32Å; R80-Y97 VanDerWaalsContact O-CD1 3.23Å; R80-Y97 WeakPolarHBondContact O-CD1 3.29Å; R80-Y97 PolarHBondContact O-N 2.97Å; R80-V99 HydrophobicContact CB-CG2 4.27Å; R80-V99 HydrophobicContact CG-CG2 3.87Å
81T91.8Very high92.2Very high65 Ų6563 Ų6340%0.39936%0.363SS..EExtended strand (participates in β ladder)trans-120.1132.8-178.2-62.40000111.1A94 Y95 T96T81-A94 HydrophobicContact CG2-CB 3.78Å; T81-Y95 CarbonylContact C-O 3.57Å; T81-Y95 VanDerWaalsContact CA-O 3.26Å; T81-Y95 WeakPolarHBondContact CA-O 3.49Å; T81-T96 PolarHBondContact OG1-OG1 3.06Å; T81-T96 VanDerWaalsContact OG1-OG1 3.13Å
82V89.1Confident92.1Very high8 Ų865.8 Ų65.85%0.04837%0.374CS..EExtended strand (participates in β ladder)trans-114.7149.2172.168.30000109.8V40 V42 L84 A94 Y95 Y97 V133V40-V82 HydrophobicContact CG1-CG2 4.11Å; V42-V82 HydrophobicContact CG2-CB 4.4Å; V42-V82 HydrophobicContact CG2-CG1 4.2Å; V42-V82 HydrophobicContact CG2-CG2 4.24Å; V82-L84 HydrophobicContact CG1-CD1 4.38Å; V82-A94 WeakPolarHBondContact O-CA 3.46Å; V82-Y95 PolarHBondContact N-O 2.97Å; V82-Y95 PolarHBondContact O-N 3.15Å; V82-Y97 HydrophobicContact CB-CE1 4.25Å; V82-Y97 HydrophobicContact CG1-CD1 4.4Å; V82-Y97 HydrophobicContact CG1-CE1 4.42Å; V82-V133 HydrophobicContact CG2-CG1 4.39Å; V82-V133 HydrophobicContact CG2-CG2 4.22Å
83I90.6Very high92Very high89 Ų8966.3 Ų66.346%0.45638%0.377SS..EExtended strand (participates in β ladder)trans-101.1120.6176.1-55.5-56.2000108.5P93 A94I83-P93 HydrophobicContact CG2-CB 3.88Å; I83-P93 HydrophobicContact CG2-CG 3.99Å; I83-A94 HydrophobicContact CD1-CB 3.89Å
84L90.6Very high91.9Very high3 Ų367 Ų672%0.01638%0.384CS..PPolyproline II helixtrans-79.3137.1176.2-74.884.3000110.4V31 K33 C36 V40 V82 C87 P93 Y95V31-L84 HydrophobicContact CG1-CD1 4.11Å; V31-L84 HydrophobicContact CG1-CD2 4.3Å; K33-L84 HydrophobicContact CB-CD2 3.96Å; K33-L84 HydrophobicContact CD-CD1 4.19Å; K33-L84 HydrophobicContact CD-CD2 4.31Å; K33-L84 HydrophobicContact CG-CD2 3.97Å; C36-L84 HydrophobicContact CB-CB 4.16Å; C36-L84 HydrophobicContact CB-CD2 4.35Å; V40-L84 HydrophobicContact CG2-CG 4.23Å; V82-L84 HydrophobicContact CG1-CD1 4.38Å; L84-C87 PolarHBondContact O-SG 2.91Å; L84-P93 WeakPolarHBondContact CD1-O 3.32Å; L84-P93 PolarHBondContact N-O 3.47Å; L84-Y95 VanDerWaalsContact CD1-CB 3.45Å; L84-Y95 HydrophobicContact CD1-CG 4.45Å
85P89.5Confident91.7Very high40 Ų4067.8 Ų67.826%0.2639%0.387SS..SBendtrans-84.5156.5176.830.6-28.1000111.9Y38Y38-P85 HydrophobicContact CD2-CB 4.25Å; Y38-P85 HydrophobicContact CD2-CG 4.03Å; Y38-P85 HydrophobicContact CG-CG 4.17Å
86G89.6Confident91.7Very high36 Ų3667.6 Ų67.637%0.37139%0.389SS..SBendtrans72.631173.800000114.2C36 D37C36-G86 CarbonylContact C-O 3.58Å; C36-G86 WeakPolarHBondContact CA-O 3.48Å; D37-G86 PolarHBondContact N-O 3.24Å
87C92.3Very high91.5Very high34 Ų3462.2 Ų62.223%0.2337%0.365CS..BIsolated β-bridgetrans-84.7147.4177.5-48.30000112E35 C36 L84 S91 P93E35-C87 WeakPolarHBondContact O-CA 3.26Å; C36-C87 HydrophobicContact CB-CB 4.04Å; C36-C87 WeakPolarHBondContact CB-SG 3.3Å; C36-C87 WeakPolarHBondContact SG-CB 2.99Å; C36-C87 CovalentContact SG-SG 2.04Å; C36-C87 PolarHBondContact SG-SG 2.84Å; L84-C87 PolarHBondContact O-SG 2.91Å; C87-S91 WeakPolarHBondContact CB-OG 3.01Å; C87-P93 HydrophobicContact CB-CB 4.14Å; C87-P93 VanDerWaalsContact SG-CB 3.55Å
88A93Very high91.5Very high60 Ų6061.6 Ų61.650%0.49636%0.362SS..PPolyproline II helixtrans-58.7150.2178.200000112.7E35 G90 S91E35-A88 PolarHBondContact O-N 2.71Å; A88-G90 PolarHBondContact O-N 2.99Å; A88-S91 PolarHBondContact N-OG 2.03Å; A88-S91 WeakPolarHBondContact O-CB 3.3Å; A88-S91 PolarHBondContact O-N 3.41Å; A88-S91 PolarHBondContact O-OG 2.85Å
89I91.1Very high91.5Very high182 Ų18259.2 Ų59.293%0.93335%0.352SS*.THydrogen-bonded Turntrans-60.2128.1178.2-59173.3000109.4S91I89-S91 VanDerWaalsContact C-N 3.31Å
90G89.3Confident91.7Very high87 Ų8754.3 Ų54.390%0.89733%0.333SS*.THydrogen-bonded Turntrans83.9-1.7-178.800000114.9A88A88-G90 PolarHBondContact O-N 2.99Å
91S91.9Very high91.9Very high35 Ų3554.2 Ų54.225%0.24534%0.339CS..SBendtrans-84.2157.9170730000111.8C87 A88 I89 P93C87-S91 WeakPolarHBondContact CB-OG 3.01Å; A88-S91 PolarHBondContact N-OG 2.03Å; A88-S91 WeakPolarHBondContact O-CB 3.3Å; A88-S91 PolarHBondContact O-N 3.41Å; A88-S91 PolarHBondContact O-OG 2.85Å; I89-S91 VanDerWaalsContact C-N 3.31Å; S91-P93 VanDerWaalsContact O-CD 3.26Å; S91-P93 WeakPolarHBondContact O-CD 3.46Å
92N90.6Very high92.1Very high103 Ų10352.4 Ų52.455%0.55133%0.328SS*.  trans-90.7108.2176.7-178.55.4000110.7K33 A94K33-N92 PolarHBondContact NZ-O 2.8Å; N92-A94 PolarHBondContact O-N 2.87Å; N92-A94 VanDerWaalsContact OD1-CB 3.25Å; N92-A94 WeakPolarHBondContact OD1-CB 3.4Å; N92-A94 PolarHBondContact OD1-N 2.83Å
93P91.1Very high92.4Very high41 Ų4153 Ų5327%0.26633%0.333SS..  trans-76.6-8.7-179.234.6-38.4000113.3I83 L84 C87 S91I83-P93 HydrophobicContact CG2-CB 3.88Å; I83-P93 HydrophobicContact CG2-CG 3.99Å; L84-P93 WeakPolarHBondContact CD1-O 3.32Å; L84-P93 PolarHBondContact N-O 3.47Å; C87-P93 HydrophobicContact CB-CB 4.14Å; C87-P93 VanDerWaalsContact SG-CB 3.55Å; S91-P93 VanDerWaalsContact O-CD 3.26Å; S91-P93 WeakPolarHBondContact O-CD 3.46Å
94A91.6Very high92.6Very high25 Ų2551.6 Ų51.621%0.20732%0.324CS..EExtended strand (participates in β ladder)trans-76.3133.5-177.300000112.1K33 T81 V82 I83 N92K33-A94 VanDerWaalsContact CE-O 3.28Å; K33-A94 WeakPolarHBondContact CE-O 3.49Å; K33-A94 PolarHBondContact NZ-O 3.28Å; T81-A94 HydrophobicContact CG2-CB 3.78Å; V82-A94 WeakPolarHBondContact O-CA 3.46Å; I83-A94 HydrophobicContact CD1-CB 3.89Å; N92-A94 PolarHBondContact O-N 2.87Å; N92-A94 VanDerWaalsContact OD1-CB 3.25Å; N92-A94 WeakPolarHBondContact OD1-CB 3.4Å; N92-A94 PolarHBondContact OD1-N 2.83Å
95Y91.6Very high92.8Very high84 Ų8453.5 Ų53.533%0.32934%0.337SS..EExtended strand (participates in β ladder)trans-127.4130.4172.4-176.4-88.7000110.6V31 T81 V82 L84V31-Y95 HydrophobicContact CB-CD1 4.25Å; V31-Y95 HydrophobicContact CB-CE1 4.33Å; V31-Y95 HydrophobicContact CG1-CD1 3.3Å; V31-Y95 HydrophobicContact CG1-CD2 3.62Å; V31-Y95 HydrophobicContact CG1-CE1 3.59Å; V31-Y95 HydrophobicContact CG1-CE2 3.9Å; V31-Y95 HydrophobicContact CG1-CG 3.31Å; V31-Y95 HydrophobicContact CG2-CD1 3.89Å; V31-Y95 HydrophobicContact CG2-CE1 3.73Å; T81-Y95 CarbonylContact C-O 3.57Å; T81-Y95 VanDerWaalsContact CA-O 3.26Å; T81-Y95 WeakPolarHBondContact CA-O 3.49Å; V82-Y95 PolarHBondContact N-O 2.97Å; V82-Y95 PolarHBondContact O-N 3.15Å; L84-Y95 VanDerWaalsContact CD1-CB 3.45Å; L84-Y95 HydrophobicContact CD1-CG 4.45Å
96T93.4Very high93Very high79 Ų7952 Ų5249%0.48533%0.329SS..EExtended strand (participates in β ladder)trans-104.7127.9-177.9-54.80000110.3Y79 R80 T81Y79-T96 HydrophobicContact CD1-CG2 4.09Å; Y79-T96 HydrophobicContact CG-CG2 4.29Å; R80-T96 CarbonylContact O-C 3.56Å; R80-T96 VanDerWaalsContact O-CA 3.27Å; R80-T96 WeakPolarHBondContact O-CA 3.39Å; T81-T96 PolarHBondContact OG1-OG1 3.06Å; T81-T96 VanDerWaalsContact OG1-OG1 3.13Å
97Y91Very high93Very high20 Ų2053.8 Ų53.88%0.07834%0.34CS..EExtended strand (participates in β ladder)trans-130.6149.9-17666.6-85.4000111.8L29 V42 Y79 R80 V82 V99L29-Y97 HydrophobicContact CD2-CD2 4.13Å; L29-Y97 HydrophobicContact CD2-CG 4.01Å; V42-Y97 HydrophobicContact CG1-CE1 3.94Å; V42-Y97 HydrophobicContact CG1-CE2 3.86Å; V42-Y97 VanDerWaalsContact CG1-CZ 3.45Å; V42-Y97 VanDerWaalsContact CG1-OH 3.32Å; V42-Y97 WeakPolarHBondContact CG1-OH 3.02Å; Y79-Y97 WeakPolarHBondContact CA-O 3.39Å; R80-Y97 HydrophobicContact CB-CD1 4.47Å; R80-Y97 HydrophobicContact CB-CE1 3.79Å; R80-Y97 HydrophobicContact CB-CE2 4.12Å; R80-Y97 PolarHBondContact N-O 3.32Å; R80-Y97 VanDerWaalsContact O-CD1 3.23Å; R80-Y97 WeakPolarHBondContact O-CD1 3.29Å; R80-Y97 PolarHBondContact O-N 2.97Å; V82-Y97 HydrophobicContact CB-CE1 4.25Å; V82-Y97 HydrophobicContact CG1-CD1 4.4Å; V82-Y97 HydrophobicContact CG1-CE1 4.42Å; Y97-V99 HydrophobicContact CD2-CG2 4.17Å; Y97-V99 HydrophobicContact CE2-CG2 3.73Å
98P93.1Very high92.9Very high46 Ų4654.2 Ų54.230%0.29934%0.343SS..EExtended strand (participates in β ladder)trans-80.6147178.332.7-34.6000112.3T44 E78 Y79T44-P98 PolarHBondContact OG1-O 2.04Å; T44-P98 VanDerWaalsContact OG1-O 3.06Å; E78-P98 CarbonylContact O-C 3.52Å; Y79-P98 HydrophobicContact CD1-CB 4.21Å; Y79-P98 HydrophobicContact CE1-CB 3.98Å
99V95.4Very high92.7Very high9 Ų957.4 Ų57.46%0.05534%0.342CS..EExtended strand (participates in β ladder)trans-123.7119.3172.9-175.80000107.5T45 V77 E78 R80 Y97 I101T45-V99 WeakPolarHBondContact OG1-CG1 3.46Å; V77-V99 WeakPolarHBondContact CA-O 3.45Å; E78-V99 HydrophobicContact CB-CB 4.47Å; E78-V99 PolarHBondContact N-O 3.45Å; E78-V99 WeakPolarHBondContact O-CB 3Å; E78-V99 PolarHBondContact O-N 3.5Å; R80-V99 HydrophobicContact CB-CG2 4.27Å; R80-V99 HydrophobicContact CG-CG2 3.87Å; Y97-V99 HydrophobicContact CD2-CG2 4.17Å; Y97-V99 HydrophobicContact CE2-CG2 3.73Å; V99-I101 PolarHBondContact O-N 2.03Å
100A96.1Very high92.7Very high4 Ų454.3 Ų54.33%0.03333%0.332CS..EExtended strand (participates in β ladder)trans-68.4116.1178.300000110.7P24 T45 Y74P24-A100 HydrophobicContact CB-CB 4.22Å; T45-A100 VanDerWaalsContact O-CB 3.3Å; T45-A100 WeakPolarHBondContact O-CB 3.04Å; T45-A100 PolarHBondContact O-N 3.13Å; T45-A100 PolarHBondContact OG1-N 3.4Å; T45-A100 VanDerWaalsContact OG1-N 3.14Å; T45-A100 PolarHBondContact OG1-O 3.41Å; Y74-A100 HydrophobicContact CD1-CB 3.89Å; Y74-A100 HydrophobicContact CE1-CB 3.75Å
101I96.5Very high92.7Very high89 Ų8958.8 Ų58.846%0.45633%0.329SS..EExtended strand (participates in β ladder)trans-91.2-41.1171.2-53.4-55.8000110K76 E78 V99K76-I101 HydrophobicContact CB-CB 4.14Å; K76-I101 PolarHBondContact O-N 3.06Å; E78-I101 HydrophobicContact CB-CD1 3.84Å; E78-I101 HydrophobicContact CB-CG1 3.92Å; V99-I101 PolarHBondContact O-N 2.03Å
102S95.9Very high92.3Very high26 Ų2666.1 Ų66.118%0.18235%0.352CS..EExtended strand (participates in β ladder)trans-144.2154.5172.958.90000111.4D75 K76D75-S102 WeakPolarHBondContact CB-OG 3.48Å; D75-S102 PolarHBondContact N-O 3.19Å; D75-S102 PolarHBondContact OD2-OG 3.36Å; K76-S102 VanDerWaalsContact CB-OG 3.29Å; K76-S102 WeakPolarHBondContact CB-OG 3.04Å; K76-S102 WeakPolarHBondContact CG-OG 3.37Å; K76-S102 PolarHBondContact N-O 3.09Å; K76-S102 PolarHBondContact N-OG 3.2Å; K76-S102 PolarHBondContact O-N 2.96Å
103C95.8Very high92.1Very high21 Ų2163.6 Ų63.614%0.14234%0.339CS..EExtended strand (participates in β ladder)trans-127153.6179.5-56.90000109.8L23 P24 C47 T73L23-C103 VanDerWaalsContact C-SG 3.59Å; P24-C103 VanDerWaalsContact N-SG 3.39Å; C47-C103 WeakPolarHBondContact CA-SG 3.49Å; C47-C103 HydrophobicContact CB-CB 3.73Å; C47-C103 WeakPolarHBondContact CB-SG 3.49Å; C47-C103 VanDerWaalsContact SG-CA 3.58Å; C47-C103 WeakPolarHBondContact SG-CB 3.37Å; C47-C103 CovalentContact SG-SG 2.03Å; C47-C103 PolarHBondContact SG-SG 3.12Å; T73-C103 WeakPolarHBondContact O-CA 3.26Å
104H95.6Very high92Very high60 Ų6069.9 Ų69.928%0.27836%0.364SS..EExtended strand (participates in β ladder)trans-147.7160.7175.974.8-62.6000111.6C22 T73 Y74 D75C22-H104 PolarHBondContact SG-O 2.82Å; T73-H104 VanDerWaalsContact CG2-CE1 3.49Å; T73-H104 WeakPolarHBondContact CG2-CE1 3.48Å; T73-H104 PolarHBondContact N-O 3.18Å; T73-H104 PolarHBondContact O-N 2.88Å; T73-H104 PolarHBondContact O-ND1 3.25Å; Y74-H104 PolarHBondContact O-CE1 3.07Å; Y74-H104 VanDerWaalsContact O-CE1 3.3Å; Y74-H104 PolarHBondContact O-ND1 2.87Å; D75-H104 HydrophobicContact CB-CB 4.23Å; D75-H104 WeakPolarHBondContact CB-ND1 3.28Å
105C95.1Very high91.9Very high42 Ų4271.9 Ų71.928%0.28438%0.376SS..EExtended strand (participates in β ladder)trans-88110.4171.8-68.60000110.1C51 S71C51-C105 WeakPolarHBondContact CA-SG 3.08Å; C51-C105 HydrophobicContact CB-CB 3.72Å; C51-C105 WeakPolarHBondContact CB-SG 3.46Å; C51-C105 WeakPolarHBondContact SG-CA 3.34Å; C51-C105 WeakPolarHBondContact SG-CB 3.47Å; C51-C105 CovalentContact SG-SG 2.04Å; C51-C105 PolarHBondContact SG-SG 3.31Å; S71-C105 WeakPolarHBondContact O-CA 3.19Å
106G93Very high91.7Very high9 Ų971.2 Ų71.29%0.09338%0.381CS..EExtended strand (participates in β ladder)trans-145.1179.6-175.700000112.4R70 S71R70-G106 CarbonylContact C-O 3.59Å; R70-G106 VanDerWaalsContact CA-O 3.26Å; R70-G106 WeakPolarHBondContact CA-O 3.32Å; S71-G106 PolarHBondContact N-O 3.12Å; S71-G106 PolarHBondContact O-N 3.39Å
107A90.8Very high91Very high74 Ų7475.8 Ų75.861%0.61240%0.396SS*.  trans-68.6140.4166.500000109.2R109A107-R109 PolarHBondContact O-N 3.31Å
108C90.3Very high90.1Very high42 Ų4284.3 Ų84.328%0.28443%0.428SS..  trans-64.5129.6172.9-177.50000109.8T110 C115C108-T110 PolarHBondContact O-N 3.34Å; C108-C115 HydrophobicContact CB-CB 3.85Å; C108-C115 WeakPolarHBondContact CB-SG 3.16Å; C108-C115 WeakPolarHBondContact SG-CA 3.14Å; C108-C115 WeakPolarHBondContact SG-CB 3.18Å; C108-C115 CovalentContact SG-SG 2.03Å; C108-C115 PolarHBondContact SG-SG 3.3Å
109R88.8Confident88.9Confident128 Ų12887.3 Ų87.348%0.48345%0.445SS..  trans-89.893.6-175.1-64.8-175-178.5-172.64.3109.7A107 E111 R112 D113A107-R109 PolarHBondContact O-N 3.31Å; R109-E111 PolarHBondContact O-N 3.35Å; R109-R112 PolarHBondContact O-N 2.88Å; R109-D113 WeakPolarHBondContact O-CB 3.4Å; R109-D113 PolarHBondContact O-N 2.91Å
110T89.8Confident87.1Confident117 Ų11792.4 Ų92.472%0.71847%0.472SS*.THydrogen-bonded Turntrans-59.6-14.8-17954.40000114.7C108 R112 C115C108-T110 PolarHBondContact O-N 3.34Å; T110-R112 VanDerWaalsContact C-N 3.32Å; T110-C115 HydrophobicContact CG2-CB 4.41Å; T110-C115 VanDerWaalsContact CG2-SG 3.59Å
111E89.1Confident85.2Confident180 Ų18097.6 Ų97.684%0.84150%0.504SS*.THydrogen-bonded Turntrans-71.9-24.6174.5-63.3175.9-17100113.4R109R109-E111 PolarHBondContact O-N 3.35Å
112R84.5Confident83Confident189 Ų189102.9 Ų102.971%0.71352%0.519SS*.THydrogen-bonded Turntrans-130.2-29.1-173.5-61.5-175.7-174-177.6-1.4113.4R109 T110R109-R112 PolarHBondContact O-N 2.88Å; T110-R112 VanDerWaalsContact C-N 3.32Å
113D86.8Confident81.1Confident51 Ų51108.4 Ų108.427%0.27355%0.546SS..SBendtrans-113.5142.7-172.8-53.8-42.5000110.6T73 R109 C115T73-D113 PolarHBondContact OG1-OD2 3.48Å; R109-D113 WeakPolarHBondContact O-CB 3.4Å; R109-D113 PolarHBondContact O-N 2.91Å; D113-C115 PolarHBondContact O-N 3.45Å
114E88.9Confident79.5Confident173 Ų173109.6 Ų109.681%0.80856%0.558SS**  trans-82.6106169.3-170.3179.9168.700110T116E114-T116 PolarHBondContact O-N 3.24Å
115C89.6Confident78.5Confident66 Ų66112.5 Ų112.545%0.44658%0.576SS.*  trans-83.279-175.9-54.50000111.6C108 T110 D113C108-C115 HydrophobicContact CB-CB 3.85Å; C108-C115 WeakPolarHBondContact CB-SG 3.16Å; C108-C115 WeakPolarHBondContact SG-CA 3.14Å; C108-C115 WeakPolarHBondContact SG-CB 3.18Å; C108-C115 CovalentContact SG-SG 2.03Å; C108-C115 PolarHBondContact SG-SG 3.3Å; T110-C115 HydrophobicContact CG2-CB 4.41Å; T110-C115 VanDerWaalsContact CG2-SG 3.59Å; D113-C115 PolarHBondContact O-N 3.45Å
116T86.9Confident78Confident70 Ų70112.1 Ų112.143%0.42957%0.573SS.*  trans-113.3148.9177.7-177.20000112.6E114 R118 V119E114-T116 PolarHBondContact O-N 3.24Å; T116-R118 PolarHBondContact OG1-O 3.29Å; T116-V119 HydrophobicContact CG2-CG2 4.04Å
117H78.8Confident77.8Confident175 Ų175116.3 Ų116.381%0.8161%0.606SS**SBendtrans-72.3-29.3179-177.7-107.8000112.6
118R71.4Confident77.7Confident199 Ų199115 Ų11575%0.75159%0.587SS**  trans-144.6126.3174.8-71.2-173.9174.9163.9-1.9109.1T116T116-R118 PolarHBondContact OG1-O 3.29Å
119V67.1Low77.7Confident109 Ų109116.9 Ų116.966%0.66160%0.599SS**  trans-75.8128.9162.7-173.50000106.7T116 V121T116-V119 HydrophobicContact CG2-CG2 4.04Å; V119-V121 PolarHBondContact O-N 3.4Å
120N58.8Low77.7Confident117 Ų117114.6 Ų114.663%0.62660%0.599SS**  trans-63.1110.7172.2-93.7-32.7000108Y122 D123N120-Y122 PolarHBondContact O-N 3.37Å; N120-D123 PolarHBondContact O-N 3.22Å
121V56.4Low77.4Confident113 Ų113115.2 Ų115.269%0.68559%0.588SS**G310 helixtrans-59.3-15.4179.3-177.90000112V119 D123 A124V119-V121 PolarHBondContact O-N 3.4Å; V121-D123 PolarHBondContact O-N 3.3Å; V121-A124 WeakPolarHBondContact O-CB 3.15Å; V121-A124 PolarHBondContact O-N 2.98Å
122Y50.5Low76.8Confident200 Ų200116.2 Ų116.278%0.78458%0.584SS**G310 helixtrans-61.1-24.6170.8-70-77000113.9N120 A124N120-Y122 PolarHBondContact O-N 3.37Å; Y122-A124 VanDerWaalsContact C-N 3.31Å
123D55.3Low76Confident141 Ų141109.9 Ų109.975%0.75457%0.566SS**G310 helixtrans-81.7-5.3173.6-81.9-28.7000113.7N120 V121 N125N120-D123 PolarHBondContact O-N 3.22Å; V121-D123 PolarHBondContact O-N 3.3Å; D123-N125 VanDerWaalsContact C-N 3.3Å
124A62.9Low74.7Confident46 Ų46116 Ų11638%0.3859%0.587SS.*G310 helixtrans-84.3-6.3176.500000113.1F30 V121 Y122F30-A124 VanDerWaalsContact CD2-O 3.27Å; F30-A124 WeakPolarHBondContact CD2-O 3.28Å; V121-A124 WeakPolarHBondContact O-CB 3.15Å; V121-A124 PolarHBondContact O-N 2.98Å; Y122-A124 VanDerWaalsContact C-N 3.31Å
125N73.9Confident73Confident122 Ų122113.3 Ų113.365%0.65258%0.584SS**SBendtrans-100.4130.9-179.5-68.4-34000110.4D123D123-N125 VanDerWaalsContact C-N 3.3Å
126C85.3Confident71Confident33 Ų33118.7 Ų118.722%0.22360%0.597CS.*  trans-71.9142.1173.7-76.20000112.2C39 K128 V130C39-C126 HydrophobicContact CB-CB 3.29Å; C39-C126 WeakPolarHBondContact CB-SG 3.38Å; C39-C126 WeakPolarHBondContact SG-CB 3.19Å; C39-C126 CovalentContact SG-SG 2Å; C39-C126 PolarHBondContact SG-SG 3.06Å; C126-K128 VanDerWaalsContact C-N 3.34Å; C126-V130 HydrophobicContact CB-CG2 4.04Å
127A87.9Confident68.7Low97 Ų97122 Ų12280%0.80262%0.619SS**SBendtrans-78-27.4170.100000111E32E32-A127 PolarHBondContact OE2-N 3.33Å
128K89.7Confident67.1Low46 Ų46117.3 Ų117.320%0.262%0.618CS.*SBendtrans-94.9157.9-179.1-69.2177.5-166.4-177.60112.9E32 K33 P34 C36 C39 C126 V130E32-K128 HydrophobicContact CG-CB 4.34Å; E32-K128 HydrophobicContact CG-CD 3.77Å; E32-K128 HydrophobicContact CG-CG 4.25Å; E32-K128 VanDerWaalsContact OE1-CD 3.27Å; E32-K128 WeakPolarHBondContact OE1-CD 3.41Å; E32-K128 WeakPolarHBondContact OE1-CE 3.27Å; E32-K128 VanDerWaalsContact OE1-CG 3.28Å; E32-K128 WeakPolarHBondContact OE1-CG 3.49Å; E32-K128 IonicContact OE1-NZ 3.68Å; E32-K128 PolarHBondContact OE2-N 3.13Å; E32-K128 VanDerWaalsContact OE2-N 3.13Å; K33-K128 PolarHBondContact O-NZ 3.26Å; P34-K128 PolarHBondContact O-NZ 2.91Å; C36-K128 WeakPolarHBondContact O-CD 2.97Å; C36-K128 WeakPolarHBondContact O-CE 3.26Å; C36-K128 PolarHBondContact O-NZ 3.3Å; C39-K128 HydrophobicContact CB-CB 4.27Å; C126-K128 VanDerWaalsContact C-N 3.34Å; K128-V130 PolarHBondContact O-N 3.36Å
129P89.6Confident65.9Low83 Ų83112.4 Ų112.454%0.53960%0.604SS.*PPolyproline II helixtrans-57.1128.5176.421.8-32.8000111.6Y38 C39Y38-P129 HydrophobicContact CD1-CB 4.29Å; Y38-P129 HydrophobicContact CD1-CG 3.82Å; Y38-P129 HydrophobicContact CE1-CG 4.02Å; C39-P129 PolarHBondContact N-O 2.99Å
130V88.8Confident64.7Low79 Ų79111 Ų11148%0.47960%0.599SS.*EExtended strand (participates in β ladder)trans-80.9131.5-175.9-177.10000110.9F30 C39 A41 C126 K128F30-V130 HydrophobicContact CD1-CG1 4.32Å; F30-V130 HydrophobicContact CE1-CG1 4.14Å; C39-V130 HydrophobicContact CB-CG2 4.48Å; C39-V130 CarbonylContact O-C 3.59Å; C39-V130 WeakPolarHBondContact O-CA 3.44Å; A41-V130 HydrophobicContact CB-CG1 3.93Å; C126-V130 HydrophobicContact CB-CG2 4.04Å; K128-V130 PolarHBondContact O-N 3.36Å
131R83.5Confident64.2Low131 Ų131111.1 Ų111.149%0.49460%0.599SS.*EExtended strand (participates in β ladder)trans-116.5136.2166-77.7-170.3169.5-155.80.1110.4Y38 C39 V40 A41Y38-R131 HydrophobicContact CD1-CG 4Å; C39-R131 PolarHBondContact O-N 3.37Å; V40-R131 WeakPolarHBondContact CA-O 3.27Å; A41-R131 PolarHBondContact N-O 3.03Å
132R75.6Confident63.4Low201 Ų201115.6 Ų115.676%0.75861%0.605SS**EExtended strand (participates in β ladder)trans-79.7126.4164.8-75.9-174.6179.1-180-0.3108.6A41A41-R132 HydrophobicContact CB-CG 4.4Å
133V68.5Low63Low56 Ų56111.2 Ų111.234%0.33959%0.594SS.*PPolyproline II helixtrans-83.4118.3167.7168.80000107.3V40 V82V40-V133 HydrophobicContact CB-CG2 4.36Å; V40-V133 HydrophobicContact CG1-CB 3.95Å; V40-V133 HydrophobicContact CG1-CG2 3.33Å; V40-V133 HydrophobicContact CG2-CG2 4.07Å; V82-V133 HydrophobicContact CG2-CG1 4.39Å; V82-V133 HydrophobicContact CG2-CG2 4.22Å
134Y58.1Low62.1Low180 Ų180110.9 Ų110.971%0.70659%0.59SS**PPolyproline II helixtrans-76.2128.4165.3-66.7-82.1000107.4Y136Y134-Y136 PolarHBondContact O-N 3.19Å
135P55.3Low60.7Low116 Ų116114.2 Ų114.275%0.75361%0.608SS**  trans-59.3114.6172.622.9-30000108.2
136Y45.6Very low59Low179 Ų179121.1 Ų121.170%0.70263%0.633SS**  trans-66.9131.3175.3-80-83.9000108.9Y134 G138 Q139Y134-Y136 PolarHBondContact O-N 3.19Å; Y136-G138 PolarHBondContact O-N 3.49Å; Y136-Q139 PolarHBondContact O-N 3.29Å
137P39.3Very low57.6Low138 Ų138125.5 Ų125.590%0.89665%0.653SS**THydrogen-bonded Turntrans-65.6101.1173.425.5-29.8000108.5
138G44.8Very low56Low77 Ų77127 Ų12779%0.79465%0.645SS**THydrogen-bonded Turntrans132.6-4.1-178.200000115.9Y136 S140Y136-G138 PolarHBondContact O-N 3.49Å; G138-S140 PolarHBondContact O-N 3.23Å
139Q47.2Very low54.2Low97 Ų97131.5 Ų131.545%0.45367%0.67SS.*  trans-71.799.9174.1-167.3158.7-14.300110Y136 N141Y136-Q139 PolarHBondContact O-N 3.29Å; Q139-N141 PolarHBondContact O-N 3.01Å
140S42.2Very low52.1Low79 Ų79134.4 Ų134.455%0.55268%0.678SS**  trans-57.6122.1178.2173.70000111.5G138 Y142G138-S140 PolarHBondContact O-N 3.23Å; S140-Y142 PolarHBondContact O-N 3.13Å; S140-Y142 WeakPolarHBondContact OG-CD2 3.4Å
141N47.6Very low49.8Very low120 Ų120137.8 Ų137.864%0.64269%0.69SS**  trans-77.112.8178.2-67.8-53.3000113.7Q139 M143Q139-N141 PolarHBondContact O-N 3.01Å; N141-M143 PolarHBondContact O-N 3.34Å; N141-M143 VanDerWaalsContact O-N 3.1Å
142Y39.4Very low47.6Very low206 Ų206138.3 Ų138.381%0.80870%0.703SS**  trans-77.6103.9-179.6-62.2-59.3000110.5S140 I144S140-Y142 PolarHBondContact O-N 3.13Å; S140-Y142 WeakPolarHBondContact OG-CD2 3.4Å; Y142-I144 PolarHBondContact O-N 3.49Å
143M42.7Very low45.5Very low109 Ų109133.8 Ų133.854%0.53770%0.699SS.*  trans-48.1129.7157.6-89.5154131.800110.5Y79 N141 P145Y79-M143 VanDerWaalsContact CB-CE 3.49Å; Y79-M143 HydrophobicContact CD2-CE 4.28Å; Y79-M143 HydrophobicContact CG-CE 4.39Å; Y79-M143 WeakPolarHBondContact O-CE 3.29Å; N141-M143 PolarHBondContact O-N 3.34Å; N141-M143 VanDerWaalsContact O-N 3.1Å; M143-P145 VanDerWaalsContact O-CD 3.29Å; M143-P145 WeakPolarHBondContact O-CD 3.44Å
144I35.5Very low43.8Very low134 Ų134139.8 Ų139.869%0.68773%0.727SS**  trans-80110.8154.8-58169.8000105Y142 F146Y142-I144 PolarHBondContact O-N 3.49Å; I144-F146 HydrophobicContact CG2-CZ 4.44Å; I144-F146 PolarHBondContact O-N 3.36Å
145P34.5Very low42.6Very low116 Ų116136.4 Ų136.475%0.75373%0.729SS**  trans-69.9128.7169.429.3-29.9000108.1M143M143-P145 VanDerWaalsContact O-CD 3.29Å; M143-P145 WeakPolarHBondContact O-CD 3.44Å
146F37.3Very low41.4Very low266 Ų266138.3 Ų138.3100%1.16773%0.726SS**  trans-98.20158.9-69.5-74.6000108.4I144I144-F146 HydrophobicContact CG2-CZ 4.44Å; I144-F146 PolarHBondContact O-N 3.36Å

Retrieved 146 of 146 residues in 211.8 ms (Link to these results)