A0A5K4F6R5_SCHMA Loading...

UPF0506 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6R5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 85 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M52.7Low62Low239 Ų239129.5 Ų129.5100%1.17769%0.694SS**  058.80-71141.2147.400110.4
2S56Low62.6Low100 Ų100128 Ų12870%0.69968%0.684SS**  trans-130.9-11.1-168.7-32.80000113.6
3V59Low63Low113 Ų113129.1 Ų129.169%0.68568%0.68SS**SBendtrans-81.3-32.6-174.6-174.90000111.6C5 K6V3-C5 PolarHBondContact O-N 3Å; V3-K6 PolarHBondContact O-N 3Å
4M60.5Low63.3Low150 Ų150125.1 Ų125.174%0.73966%0.658SS**Hα-helixtrans-67.5-33.6-175.6-57.4-55176.500113K6 F8M4-K6 VanDerWaalsContact C-N 3.31Å; M4-K6 PolarHBondContact O-N 2.87Å; M4-F8 VanDerWaalsContact O-CD2 3.23Å; M4-F8 WeakPolarHBondContact O-CD2 3.18Å
5C58.9Low63.5Low91 Ų91123.9 Ų123.962%0.61565%0.652SS**Hα-helixtrans-71.1-26.1-177.1-157.90000113V3V3-C5 PolarHBondContact O-N 3Å
6K61Low63.7Low167 Ų167119.8 Ų119.873%0.72664%0.636SS**Hα-helixtrans-78.1-30.8-175.2-141.2159176.9-175.70112.6V3 M4 F10V3-K6 PolarHBondContact O-N 3Å; M4-K6 VanDerWaalsContact C-N 3.31Å; M4-K6 PolarHBondContact O-N 2.87Å; K6-F10 PolarHBondContact O-N 3.31Å
7S63.2Low63.5Low80 Ų80119.5 Ų119.556%0.55963%0.632SS**Hα-helixtrans-70.7-35.7175.7-60.90000112.8F10 S11S7-F10 PolarHBondContact O-N 3.16Å; S7-S11 PolarHBondContact O-N 2.93Å
8F63.3Low63.3Low150 Ų150121 Ų12166%0.65863%0.632SS**Hα-helixtrans-65.6-41.3176.1-79.1-78.7000112.2M4 F10 S11 L12M4-F8 VanDerWaalsContact O-CD2 3.23Å; M4-F8 WeakPolarHBondContact O-CD2 3.18Å; F8-F10 PolarHBondContact O-N 2.57Å; F8-S11 PolarHBondContact O-N 3.18Å; F8-L12 PolarHBondContact O-N 3.44Å
9L67.9Low63Low110 Ų110121.1 Ų121.158%0.57663%0.632SS**Hα-helixtrans-64.9-39177.1-67.9174.8000112.4L12 F13L9-L12 PolarHBondContact O-N 2.95Å; L9-F13 PolarHBondContact O-N 3.39Å; L9-F13 VanDerWaalsContact O-N 3.07Å
10F66.9Low62.5Low145 Ų145120.2 Ų120.264%0.63663%0.632SS**Hα-helixtrans-66-40.5176.4-164.2-99.9000111.5K6 S7 F8 F13 I14K6-F10 PolarHBondContact O-N 3.31Å; S7-F10 PolarHBondContact O-N 3.16Å; F8-F10 PolarHBondContact O-N 2.57Å; F10-F13 PolarHBondContact O-N 3.46Å; F10-I14 HydrophobicContact CD1-CG1 4.13Å; F10-I14 HydrophobicContact CE1-CD1 4.18Å; F10-I14 HydrophobicContact CE1-CG1 3.92Å; F10-I14 HydrophobicContact CZ-CD1 4.31Å; F10-I14 HydrophobicContact CZ-CG1 4.47Å; F10-I14 WeakPolarHBondContact O-CG1 3.4Å; F10-I14 PolarHBondContact O-N 2.81Å
11S72.5Confident62.1Low80 Ų80123.9 Ų123.956%0.55964%0.643SS**Hα-helixtrans-64.4-41.1177.4-1630000112.7S7 F8 F13 I14 L15S7-S11 PolarHBondContact O-N 2.93Å; F8-S11 PolarHBondContact O-N 3.18Å; S11-F13 PolarHBondContact O-N 3.11Å; S11-I14 PolarHBondContact O-N 3.31Å; S11-L15 PolarHBondContact O-N 2.97Å
12L68.9Low62Low111 Ų111120.8 Ų120.858%0.58163%0.628SS**Hα-helixtrans-63-37.7172.9-84.7152.3000112.9F8 L9 L15 S16F8-L12 PolarHBondContact O-N 3.44Å; L9-L12 PolarHBondContact O-N 2.95Å; L12-L15 PolarHBondContact O-N 3.45Å; L12-S16 PolarHBondContact O-N 2.03Å
13F68.1Low61.7Low142 Ų142118 Ų11862%0.62362%0.615SS**Hα-helixtrans-67.5-37.8176.6-122-93.7000112.8L9 F10 S11 S16 M17L9-F13 PolarHBondContact O-N 3.39Å; L9-F13 VanDerWaalsContact O-N 3.07Å; F10-F13 PolarHBondContact O-N 3.46Å; S11-F13 PolarHBondContact O-N 3.11Å; F13-S16 PolarHBondContact O-OG 3.32Å; F13-M17 VanDerWaalsContact O-CG 3.3Å; F13-M17 WeakPolarHBondContact O-CG 3.37Å; F13-M17 PolarHBondContact O-N 3.02Å
14I67.1Low61.7Low73 Ų73115.9 Ų115.937%0.37461%0.605SS.*Hα-helixtrans-69.1-41.5175.3-66.1-62.3000110.3F10 S11 S16 M17 F18F10-I14 HydrophobicContact CD1-CG1 4.13Å; F10-I14 HydrophobicContact CE1-CD1 4.18Å; F10-I14 HydrophobicContact CE1-CG1 3.92Å; F10-I14 HydrophobicContact CZ-CD1 4.31Å; F10-I14 HydrophobicContact CZ-CG1 4.47Å; F10-I14 WeakPolarHBondContact O-CG1 3.4Å; F10-I14 PolarHBondContact O-N 2.81Å; S11-I14 PolarHBondContact O-N 3.31Å; I14-S16 PolarHBondContact O-N 2.97Å; I14-M17 PolarHBondContact O-N 3.46Å; I14-F18 HydrophobicContact CG2-CD2 3.74Å; I14-F18 HydrophobicContact CG2-CE2 3.39Å; I14-F18 WeakPolarHBondContact O-CD2 3.28Å; I14-F18 PolarHBondContact O-N 2.03Å; I14-F18 VanDerWaalsContact O-N 3.11Å
15L66Low62.3Low108 Ų108115.3 Ų115.357%0.56561%0.605SS**Hα-helixtrans-61.6-41176.5-166.370.8000112.3S11 L12 M17 F18 I19S11-L15 PolarHBondContact O-N 2.97Å; L12-L15 PolarHBondContact O-N 3.45Å; L15-M17 PolarHBondContact O-N 2.9Å; L15-F18 PolarHBondContact O-N 3.19Å; L15-I19 HydrophobicContact CG-CD1 4.48Å; L15-I19 WeakPolarHBondContact O-CG1 2.96Å; L15-I19 PolarHBondContact O-N 3.43Å; L15-I19 VanDerWaalsContact O-N 3.17Å
16S67.8Low63.6Low57 Ų57113.6 Ų113.640%0.39959%0.593SS.*Hα-helixtrans-67.2-34.917871.10000113L12 F13 I14 I19 T20L12-S16 PolarHBondContact O-N 2.03Å; F13-S16 PolarHBondContact O-OG 3.32Å; I14-S16 PolarHBondContact O-N 2.97Å; S16-I19 PolarHBondContact O-N 3.02Å; S16-T20 PolarHBondContact O-N 2.79Å; S16-T20 VanDerWaalsContact O-N 3.08Å; S16-T20 PolarHBondContact O-OG1 3.17Å
17M60.7Low65Low115 Ų115108.7 Ų108.757%0.56757%0.572SS**Hα-helixtrans-66-36.3173.9-74.8-98.5160.400112.3F13 I14 L15 T20 K21F13-M17 VanDerWaalsContact O-CG 3.3Å; F13-M17 WeakPolarHBondContact O-CG 3.37Å; F13-M17 PolarHBondContact O-N 3.02Å; I14-M17 PolarHBondContact O-N 3.46Å; L15-M17 PolarHBondContact O-N 2.9Å; M17-T20 WeakPolarHBondContact CA-OG1 3Å; M17-T20 PolarHBondContact O-OG1 3.17Å; M17-K21 PolarHBondContact O-N 3.41Å; M17-K21 VanDerWaalsContact O-N 3.11Å
18F58.9Low66.3Low147 Ų147110.5 Ų110.565%0.64557%0.572SS**Hα-helixtrans-68.4-37.4174.6-79.8-68.2000112.5I14 L15I14-F18 HydrophobicContact CG2-CD2 3.74Å; I14-F18 HydrophobicContact CG2-CE2 3.39Å; I14-F18 WeakPolarHBondContact O-CD2 3.28Å; I14-F18 PolarHBondContact O-N 2.03Å; I14-F18 VanDerWaalsContact O-N 3.11Å; L15-F18 PolarHBondContact O-N 3.19Å
19I57.4Low67.7Low123 Ų123109.3 Ų109.363%0.63157%0.566SS**Hα-helixtrans-68.1-37.3176.8-61.9165.8000111.1L15 S16L15-I19 HydrophobicContact CG-CD1 4.48Å; L15-I19 WeakPolarHBondContact O-CG1 2.96Å; L15-I19 PolarHBondContact O-N 3.43Å; L15-I19 VanDerWaalsContact O-N 3.17Å; S16-I19 PolarHBondContact O-N 3.02Å
20T52.5Low68.9Low103 Ų103106.1 Ų106.163%0.63256%0.56SS**Hα-helixtrans-76-26.3179.332.20000113.6S16 M17 M22 G23S16-T20 PolarHBondContact O-N 2.79Å; S16-T20 VanDerWaalsContact O-N 3.08Å; S16-T20 PolarHBondContact O-OG1 3.17Å; M17-T20 WeakPolarHBondContact CA-OG1 3Å; M17-T20 PolarHBondContact O-OG1 3.17Å; T20-M22 VanDerWaalsContact C-N 3.29Å; T20-M22 PolarHBondContact O-N 3.3Å; T20-G23 PolarHBondContact O-N 2.02Å
21K54.2Low70.1Confident197 Ų197103.2 Ų103.286%0.85755%0.548SS*.Hα-helixtrans-77-12.9178.2-115.8-178.3174.3165.70114.9M17 G23M17-K21 PolarHBondContact O-N 3.41Å; M17-K21 VanDerWaalsContact O-N 3.11Å; K21-G23 VanDerWaalsContact C-N 3.33Å
22M50.9Low71Confident175 Ų175105.8 Ų105.886%0.86255%0.552SS**THydrogen-bonded Turntrans-100.119.3170.7-134.5157.9-168.200111.9T20T20-M22 VanDerWaalsContact C-N 3.29Å; T20-M22 PolarHBondContact O-N 3.3Å
23G50.1Low72.1Confident41 Ų41100.8 Ų100.842%0.42353%0.525SS..  trans-105.535.7-175.600000114.4T20 K21 N25T20-G23 PolarHBondContact O-N 2.02Å; K21-G23 VanDerWaalsContact C-N 3.33Å; G23-N25 PolarHBondContact O-N 3.44Å
24S58.1Low72.9Confident69 Ų6995.3 Ų95.348%0.48351%0.505SS..  trans-7284.8149.260.40000105.9C26S24-C26 PolarHBondContact O-N 3.29Å
25N74.4Confident73.4Confident138 Ų13895.2 Ų95.274%0.73850%0.502SS*.PPolyproline II helixtrans-46.8121.3168.5-69.1-28.1000106.2G23G23-N25 PolarHBondContact O-N 3.44Å
26C86.2Confident74Confident54 Ų5492.6 Ų92.637%0.36549%0.49SS..PPolyproline II helixtrans-57.7155.2176.259.20000108.4S24 E28 P40 C42S24-C26 PolarHBondContact O-N 3.29Å; C26-E28 PolarHBondContact O-N 3.43Å; C26-P40 CarbonylContact C-O 3.41Å; C26-P40 VanDerWaalsContact CA-O 3.25Å; C26-P40 WeakPolarHBondContact CA-O 3.44Å; C26-C42 VanDerWaalsContact CA-SG 3.55Å; C26-C42 HydrophobicContact CB-CB 3.85Å; C26-C42 WeakPolarHBondContact CB-SG 3.36Å; C26-C42 PolarHBondContact O-SG 3.41Å; C26-C42 WeakPolarHBondContact SG-CA 3.4Å; C26-C42 WeakPolarHBondContact SG-CB 3.32Å; C26-C42 CovalentContact SG-SG 2.02Å; C26-C42 PolarHBondContact SG-SG 2.88Å
27K89.3Confident74.3Confident64 Ų6496.7 Ų96.728%0.27851%0.512SS..BIsolated β-bridgetrans-85117.4-176.2-62.7-59.1-173.4-175.40109.7E31 E32 P40 C41 C42 C57K27-E31 VanDerWaalsContact CA-OE2 3.29Å; K27-E31 WeakPolarHBondContact CA-OE2 3.47Å; K27-E31 HydrophobicContact CB-CB 4.06Å; K27-E31 HydrophobicContact CD-CB 4.13Å; K27-E32 WeakPolarHBondContact CD-O 3.47Å; K27-E32 WeakPolarHBondContact CE-O 3.02Å; K27-E32 WeakPolarHBondContact CG-O 3.47Å; K27-P40 PolarHBondContact N-O 3.23Å; K27-C41 CarbonylContact O-C 3.58Å; K27-C41 WeakPolarHBondContact O-CA 3.1Å; K27-C42 PolarHBondContact O-N 3.05Å; K27-C57 WeakPolarHBondContact CB-SG 3.45Å
28E91.9Very high75Confident118 Ų11894.8 Ų94.855%0.55152%0.515SS*.PPolyproline II helixtrans-66.6166.6174.5-72.7-74.9108.100110.2C26 G30 E31 C42 C57C26-E28 PolarHBondContact O-N 3.43Å; E28-G30 PolarHBondContact O-N 3.13Å; E28-E31 HydrophobicContact CB-CG 4.09Å; E28-E31 PolarHBondContact N-OE2 2.83Å; E28-E31 WeakPolarHBondContact O-CB 3.4Å; E28-E31 PolarHBondContact O-N 3.11Å; E28-C42 PolarHBondContact OE1-SG 2.03Å; E28-C57 WeakPolarHBondContact O-CB 3.06Å
29K92.6Very high75.9Confident126 Ų12688.6 Ų88.655%0.54849%0.49SS..THydrogen-bonded Turntrans-57.8127179.9-174.3178.1-177.2164.50110.9E31 L45 D59K29-E31 VanDerWaalsContact C-N 3.33Å; K29-L45 HydrophobicContact CB-CD1 4.1Å; K29-L45 HydrophobicContact CB-CD2 4.09Å; K29-L45 HydrophobicContact CG-CD2 4.28Å; K29-D59 WeakPolarHBondContact CE-OD2 3.06Å; K29-D59 IonicContact NZ-OD1 2.77Å; K29-D59 PolarHBondContact NZ-OD1 3.32Å; K29-D59 IonicContact NZ-OD2 2.87Å; K29-D59 PolarHBondContact NZ-OD2 2.81Å
30G92.3Very high77.2Confident43 Ų4385.4 Ų85.444%0.44348%0.477SS..THydrogen-bonded Turntrans88.4-11.6-178.100000115.1E28 C57E28-G30 PolarHBondContact O-N 3.13Å; G30-C57 PolarHBondContact N-O 2.77Å
31E92.3Very high79Confident83 Ų8381.5 Ų81.539%0.38845%0.454SS..SBendtrans-74.1156.3174.6-64.7-161.8111.400112.2K27 E28 K29 K56 C57K27-E31 VanDerWaalsContact CA-OE2 3.29Å; K27-E31 WeakPolarHBondContact CA-OE2 3.47Å; K27-E31 HydrophobicContact CB-CB 4.06Å; K27-E31 HydrophobicContact CD-CB 4.13Å; E28-E31 HydrophobicContact CB-CG 4.09Å; E28-E31 PolarHBondContact N-OE2 2.83Å; E28-E31 WeakPolarHBondContact O-CB 3.4Å; E28-E31 PolarHBondContact O-N 3.11Å; K29-E31 VanDerWaalsContact C-N 3.33Å; E31-K56 VanDerWaalsContact O-CA 3.28Å; E31-K56 WeakPolarHBondContact O-CA 3.01Å; E31-C57 PolarHBondContact O-N 3.23Å
32E91.5Very high80.7Confident135 Ų13572.9 Ų72.963%0.63142%0.418SS*.EExtended strand (participates in β ladder)trans-73134.2-179.6-63.9-164.4149.100112.3K27 G55K27-E32 WeakPolarHBondContact CD-O 3.47Å; K27-E32 WeakPolarHBondContact CE-O 3.02Å; K27-E32 WeakPolarHBondContact CG-O 3.47Å; E32-G55 WeakPolarHBondContact CA-O 3.06Å
33C90.9Very high82.5Confident5 Ų568.6 Ų68.63%0.03442%0.419CS..EExtended strand (participates in β ladder)trans-134.2154.7177.363.90000110.1C47 G55 K56C33-C47 VanDerWaalsContact C-SG 3.58Å; C33-C47 HydrophobicContact CB-CB 3.9Å; C33-C47 WeakPolarHBondContact CB-SG 3.23Å; C33-C47 WeakPolarHBondContact SG-CA 3.39Å; C33-C47 WeakPolarHBondContact SG-CB 3.44Å; C33-C47 CovalentContact SG-SG 2.03Å; C33-C47 PolarHBondContact SG-SG 3.03Å; C33-G55 PolarHBondContact N-O 2.77Å; C33-G55 CarbonylContact O-C 3.56Å; C33-G55 WeakPolarHBondContact O-CA 3.47Å; C33-G55 PolarHBondContact O-N 3.5Å; C33-G55 VanDerWaalsContact SG-C 3.53Å; C33-K56 PolarHBondContact SG-N 2.58Å
34S86.1Confident84.3Confident27 Ų2771.8 Ų71.819%0.18944%0.435CS..  trans-116.18.8179.556.80000114.4T36 S39 F53S34-T36 PolarHBondContact O-N 2.88Å; S34-T36 VanDerWaalsContact O-N 3.08Å; S34-T36 PolarHBondContact OG-OG1 2.94Å; S34-S39 PolarHBondContact N-OG 3.04Å; S34-S39 VanDerWaalsContact N-OG 3.1Å; S34-S39 PolarHBondContact OG-OG 2.89Å; S34-F53 VanDerWaalsContact CA-O 3.24Å; S34-F53 WeakPolarHBondContact CA-O 3.04Å; S34-F53 WeakPolarHBondContact CB-O 3.28Å
35K77.7Confident85.9Confident72 Ų7269.9 Ų69.931%0.31342%0.419SS..SBendtrans47.830.8-169.3-157.8172.5-175.892.20112.2C47 L49 L68 D72K35-C47 HydrophobicContact CB-CB 4.2Å; K35-C47 HydrophobicContact CG-CB 4.46Å; K35-C47 PolarHBondContact N-SG 3Å; K35-C47 VanDerWaalsContact N-SG 3.41Å; K35-L49 HydrophobicContact CB-CD1 3.63Å; K35-L49 HydrophobicContact CD-CD1 3.45Å; K35-L49 VanDerWaalsContact CD-CD1 3.45Å; K35-L49 HydrophobicContact CG-CD1 4.15Å; K35-L68 HydrophobicContact CD-CD1 3.83Å; K35-L68 HydrophobicContact CD-CG 4.36Å; K35-D72 IonicContact NZ-OD2 3Å; K35-D72 PolarHBondContact NZ-OD2 3Å
36T77.8Confident86.8Confident53 Ų5364.2 Ų64.233%0.32539%0.389SS..SBendtrans-105.6159.6169.665.80000109.1S34 A38 S39 F53S34-T36 PolarHBondContact O-N 2.88Å; S34-T36 VanDerWaalsContact O-N 3.08Å; S34-T36 PolarHBondContact OG-OG1 2.94Å; T36-A38 PolarHBondContact O-N 2.03Å; T36-S39 PolarHBondContact O-N 3.5Å; T36-F53 HydrophobicContact CG2-CD1 4.13Å; T36-F53 HydrophobicContact CG2-CE1 4.49Å
37V74.8Confident87.1Confident142 Ų14262.2 Ų62.286%0.86138%0.376SS*.THydrogen-bonded Turntrans-60.6-17.3176.7-174.80000112.2
38A75.1Confident87.2Confident76 Ų7661.8 Ų61.863%0.62837%0.374SS*.THydrogen-bonded Turntrans-75.6-21.4-179.800000114.2T36T36-A38 PolarHBondContact O-N 2.03Å
39S78Confident87.1Confident16 Ų1657.7 Ų57.711%0.11236%0.356CS..SBendtrans-140.164.8-177.455.70000112S34 T36S34-S39 PolarHBondContact N-OG 3.04Å; S34-S39 VanDerWaalsContact N-OG 3.1Å; S34-S39 PolarHBondContact OG-OG 2.89Å; T36-S39 PolarHBondContact O-N 3.5Å
40P85.2Confident86.8Confident56 Ų5656.2 Ų56.236%0.36435%0.354SS..PPolyproline II helixtrans-67.6143.4177.530.4-34.2000110.3C26 K27C26-P40 CarbonylContact C-O 3.41Å; C26-P40 VanDerWaalsContact CA-O 3.25Å; C26-P40 WeakPolarHBondContact CA-O 3.44Å; K27-P40 PolarHBondContact N-O 3.23Å
41C89.6Confident86.4Confident22 Ų2263.2 Ų63.215%0.14937%0.367CS..BIsolated β-bridgetrans-72.6151.9169.1-59.90000110.8K27 L45 C57K27-C41 CarbonylContact O-C 3.58Å; K27-C41 WeakPolarHBondContact O-CA 3.1Å; C41-L45 HydrophobicContact CB-CB 3.58Å; C41-L45 WeakPolarHBondContact CB-O 3.48Å; C41-C57 VanDerWaalsContact CA-SG 3.52Å; C41-C57 HydrophobicContact CB-CB 3.75Å; C41-C57 WeakPolarHBondContact CB-SG 3.39Å; C41-C57 VanDerWaalsContact SG-CA 3.54Å; C41-C57 WeakPolarHBondContact SG-CB 3.43Å; C41-C57 CovalentContact SG-SG 2.03Å; C41-C57 PolarHBondContact SG-SG 3.2Å
42C90Very high85.9Confident15 Ų1566 Ų6610%0.10138%0.383CS..SBendtrans-73.2139.7179.2-63.60000112.5C26 K27 E28 S44 L45C26-C42 VanDerWaalsContact CA-SG 3.55Å; C26-C42 HydrophobicContact CB-CB 3.85Å; C26-C42 WeakPolarHBondContact CB-SG 3.36Å; C26-C42 PolarHBondContact O-SG 3.41Å; C26-C42 WeakPolarHBondContact SG-CA 3.4Å; C26-C42 WeakPolarHBondContact SG-CB 3.32Å; C26-C42 CovalentContact SG-SG 2.02Å; C26-C42 PolarHBondContact SG-SG 2.88Å; K27-C42 PolarHBondContact O-N 3.05Å; E28-C42 PolarHBondContact OE1-SG 2.03Å; C42-S44 PolarHBondContact O-N 3.48Å; C42-L45 HydrophobicContact CB-CD1 4.3Å; C42-L45 WeakPolarHBondContact O-CB 3.18Å; C42-L45 WeakPolarHBondContact O-CD1 3.1Å; C42-L45 VanDerWaalsContact O-CG 3.23Å; C42-L45 WeakPolarHBondContact O-CG 3.38Å; C42-L45 PolarHBondContact O-N 3.5Å; C42-L45 VanDerWaalsContact O-N 3.11Å
43G88.5Confident85.5Confident85 Ų8566 Ų6688%0.87638%0.381SS*.THydrogen-bonded Turntrans60.1-125.2170.500000113.7L45G43-L45 VanDerWaalsContact C-N 3.34Å
44S88.9Confident85.4Confident108 Ų10870.9 Ų70.976%0.75540%0.403SS*.THydrogen-bonded Turntrans-90.58179.163.60000113.9C42C42-S44 PolarHBondContact O-N 3.48Å
45L91.9Very high85.7Confident30 Ų3069.8 Ų69.816%0.15740%0.396CS..  trans-70.4146.5179-65.7171.4000110.7K29 C41 C42 G43 C57 V58K29-L45 HydrophobicContact CB-CD1 4.1Å; K29-L45 HydrophobicContact CB-CD2 4.09Å; K29-L45 HydrophobicContact CG-CD2 4.28Å; C41-L45 HydrophobicContact CB-CB 3.58Å; C41-L45 WeakPolarHBondContact CB-O 3.48Å; C42-L45 HydrophobicContact CB-CD1 4.3Å; C42-L45 WeakPolarHBondContact O-CB 3.18Å; C42-L45 WeakPolarHBondContact O-CD1 3.1Å; C42-L45 VanDerWaalsContact O-CG 3.23Å; C42-L45 WeakPolarHBondContact O-CG 3.38Å; C42-L45 PolarHBondContact O-N 3.5Å; C42-L45 VanDerWaalsContact O-N 3.11Å; G43-L45 VanDerWaalsContact C-N 3.34Å; L45-C57 HydrophobicContact CB-CB 4.3Å; L45-C57 HydrophobicContact CD1-CB 4.26Å; L45-V58 CarbonylContact C-O 3.48Å; L45-V58 WeakPolarHBondContact CA-O 3.43Å; L45-V58 WeakPolarHBondContact CD2-O 3.34Å
46V92.1Very high86.5Confident18 Ų1871.2 Ų71.211%0.10940%0.403CS..EExtended strand (participates in β ladder)trans-117.4140.2-178.7-58.90000109.8K48 C57 V58 I61 D72V46-K48 PolarHBondContact O-N 2.89Å; V46-C57 WeakPolarHBondContact O-CA 3Å; V46-V58 HydrophobicContact CG2-CG2 3.77Å; V46-V58 WeakPolarHBondContact CG2-O 3.44Å; V46-V58 PolarHBondContact N-O 3.1Å; V46-V58 PolarHBondContact O-N 2.83Å; V46-I61 HydrophobicContact CG2-CG1 3.78Å; V46-D72 HydrophobicContact CB-CB 4.42Å; V46-D72 HydrophobicContact CG1-CB 4.39Å
47C92.2Very high87.3Confident12 Ų1268.7 Ų68.78%0.08139%0.387CS..EExtended strand (participates in β ladder)trans-79.9105176.8-173.80000109.7C33 K35 L49C33-C47 VanDerWaalsContact C-SG 3.58Å; C33-C47 HydrophobicContact CB-CB 3.9Å; C33-C47 WeakPolarHBondContact CB-SG 3.23Å; C33-C47 WeakPolarHBondContact SG-CA 3.39Å; C33-C47 WeakPolarHBondContact SG-CB 3.44Å; C33-C47 CovalentContact SG-SG 2.03Å; C33-C47 PolarHBondContact SG-SG 3.03Å; K35-C47 HydrophobicContact CB-CB 4.2Å; K35-C47 HydrophobicContact CG-CB 4.46Å; K35-C47 PolarHBondContact N-SG 3Å; K35-C47 VanDerWaalsContact N-SG 3.41Å; C47-L49 PolarHBondContact O-N 3.08Å
48K92.5Very high88.2Confident56 Ų5663.6 Ų63.624%0.24336%0.356CS..EExtended strand (participates in β ladder)trans-82.8108.4171175.8-171.2163.2-177.10108.4V46 D50 G55 K56 V58 I61 L65V46-K48 PolarHBondContact O-N 2.89Å; K48-D50 WeakPolarHBondContact CE-OD1 3.44Å; K48-D50 IonicContact NZ-OD1 3.83Å; K48-G55 CarbonylContact O-C 3.5Å; K48-G55 WeakPolarHBondContact O-CA 3.21Å; K48-K56 PolarHBondContact N-O 3.01Å; K48-K56 PolarHBondContact O-N 3.16Å; K48-V58 HydrophobicContact CB-CG1 4.34Å; K48-V58 HydrophobicContact CB-CG2 3.72Å; K48-I61 HydrophobicContact CB-CG1 4.34Å; K48-L65 HydrophobicContact CD-CD1 4.07Å
49L89.9Confident89.1Confident32 Ų3264.3 Ų64.317%0.16835%0.349CS..EExtended strand (participates in β ladder)trans-74.7127173.3-74.283.5000110.1K35 C47 R51K35-L49 HydrophobicContact CB-CD1 3.63Å; K35-L49 HydrophobicContact CD-CD1 3.45Å; K35-L49 VanDerWaalsContact CD-CD1 3.45Å; K35-L49 HydrophobicContact CG-CD1 4.15Å; C47-L49 PolarHBondContact O-N 3.08Å; L49-R51 WeakPolarHBondContact CD2-O 3.03Å
50D86Confident89.8Confident95 Ų9566.1 Ų66.151%0.50836%0.361SS..EExtended strand (participates in β ladder)trans-94.4-25166.6-59.5-55.4000110.4K48 H54K48-D50 WeakPolarHBondContact CE-OD1 3.44Å; K48-D50 IonicContact NZ-OD1 3.83Å; D50-H54 PolarHBondContact N-O 2.94Å
51R83Confident90.2Very high190 Ų19063.5 Ų63.572%0.71734%0.344SS*.EExtended strand (participates in β ladder)trans-144.9168.3178.9-72.1-178.4-81.8-138.4-0.7110.6L49 F53 H54L49-R51 WeakPolarHBondContact CD2-O 3.03Å; R51-F53 PolarHBondContact O-N 2.02Å; R51-F53 VanDerWaalsContact O-N 3.16Å; R51-H54 HydrophobicContact CB-CB 4.18Å; R51-H54 PolarHBondContact N-O 2.97Å; R51-H54 PolarHBondContact O-N 3.01Å
52I83.2Confident90.3Very high141 Ų14163.9 Ų63.972%0.72335%0.351SS*.THydrogen-bonded Turntrans-55120.7174.5-59.4172.1000109H54I52-H54 PolarHBondContact O-CD2 3.2Å; I52-H54 PolarHBondContact O-N 3.22Å; I52-H54 VanDerWaalsContact O-N 3.12Å
53F83.3Confident90.3Very high136 Ų13668.9 Ų68.960%0.59637%0.372SS*.THydrogen-bonded Turntrans57.414.6-176-55.6-64.1000116.5S34 T36 R51S34-F53 VanDerWaalsContact CA-O 3.24Å; S34-F53 WeakPolarHBondContact CA-O 3.04Å; S34-F53 WeakPolarHBondContact CB-O 3.28Å; T36-F53 HydrophobicContact CG2-CD1 4.13Å; T36-F53 HydrophobicContact CG2-CE1 4.49Å; R51-F53 PolarHBondContact O-N 2.02Å; R51-F53 VanDerWaalsContact O-N 3.16Å
54H88.3Confident90.4Very high107 Ų10767.2 Ų67.250%0.49535%0.354SS..EExtended strand (participates in β ladder)trans-135123.9177-69.8-91.1000111D50 R51 I52D50-H54 PolarHBondContact N-O 2.94Å; R51-H54 HydrophobicContact CB-CB 4.18Å; R51-H54 PolarHBondContact N-O 2.97Å; R51-H54 PolarHBondContact O-N 3.01Å; I52-H54 PolarHBondContact O-CD2 3.2Å; I52-H54 PolarHBondContact O-N 3.22Å; I52-H54 VanDerWaalsContact O-N 3.12Å
55G92.9Very high90.4Very high4 Ų464.8 Ų64.84%0.04133%0.333CS..EExtended strand (participates in β ladder)trans-158.3-173.6-17800000112E32 C33 K48E32-G55 WeakPolarHBondContact CA-O 3.06Å; C33-G55 PolarHBondContact N-O 2.77Å; C33-G55 CarbonylContact O-C 3.56Å; C33-G55 WeakPolarHBondContact O-CA 3.47Å; C33-G55 PolarHBondContact O-N 3.5Å; C33-G55 VanDerWaalsContact SG-C 3.53Å; K48-G55 CarbonylContact O-C 3.5Å; K48-G55 WeakPolarHBondContact O-CA 3.21Å
56K93.3Very high90.3Very high102 Ų10267.1 Ų67.144%0.44334%0.342SS..EExtended strand (participates in β ladder)trans-130.7149175.6-65.7-176179.1-174.30111.5E31 C33 K48 V58E31-K56 VanDerWaalsContact O-CA 3.28Å; E31-K56 WeakPolarHBondContact O-CA 3.01Å; C33-K56 PolarHBondContact SG-N 2.58Å; K48-K56 PolarHBondContact N-O 3.01Å; K48-K56 PolarHBondContact O-N 3.16Å; K56-V58 PolarHBondContact O-N 2.77Å
57C93.9Very high90.2Very high0 Ų066.3 Ų66.30%034%0.337CS..EExtended strand (participates in β ladder)trans-74.8125173.4-63.60000110.8K27 E28 G30 E31 C41 L45 V46K27-C57 WeakPolarHBondContact CB-SG 3.45Å; E28-C57 WeakPolarHBondContact O-CB 3.06Å; G30-C57 PolarHBondContact N-O 2.77Å; E31-C57 PolarHBondContact O-N 3.23Å; C41-C57 VanDerWaalsContact CA-SG 3.52Å; C41-C57 HydrophobicContact CB-CB 3.75Å; C41-C57 WeakPolarHBondContact CB-SG 3.39Å; C41-C57 VanDerWaalsContact SG-CA 3.54Å; C41-C57 WeakPolarHBondContact SG-CB 3.43Å; C41-C57 CovalentContact SG-SG 2.03Å; C41-C57 PolarHBondContact SG-SG 3.2Å; L45-C57 HydrophobicContact CB-CB 4.3Å; L45-C57 HydrophobicContact CD1-CB 4.26Å; V46-C57 WeakPolarHBondContact O-CA 3Å
58V94.6Very high90Very high34 Ų3470.7 Ų70.721%0.20636%0.359CS..EExtended strand (participates in β ladder)trans-133.1165179.7-61.30000109.7L45 V46 K48 K56 C60L45-V58 CarbonylContact C-O 3.48Å; L45-V58 WeakPolarHBondContact CA-O 3.43Å; L45-V58 WeakPolarHBondContact CD2-O 3.34Å; V46-V58 HydrophobicContact CG2-CG2 3.77Å; V46-V58 WeakPolarHBondContact CG2-O 3.44Å; V46-V58 PolarHBondContact N-O 3.1Å; V46-V58 PolarHBondContact O-N 2.83Å; K48-V58 HydrophobicContact CB-CG1 4.34Å; K48-V58 HydrophobicContact CB-CG2 3.72Å; K56-V58 PolarHBondContact O-N 2.77Å; V58-C60 WeakPolarHBondContact CG2-O 2.99Å
59D94.1Very high89.7Confident92 Ų9270.3 Ų70.349%0.49236%0.363SS..SBendtrans-68.9-37.5178.8-40.2-80.1000111.7K29K29-D59 WeakPolarHBondContact CE-OD2 3.06Å; K29-D59 IonicContact NZ-OD1 2.77Å; K29-D59 PolarHBondContact NZ-OD1 3.32Å; K29-D59 IonicContact NZ-OD2 2.87Å; K29-D59 PolarHBondContact NZ-OD2 2.81Å
60C93.3Very high89.7Confident53 Ų5369.8 Ų69.836%0.35837%0.365SS..SBendtrans-159.2157.6176.162.80000111.1V58 C74V58-C60 WeakPolarHBondContact CG2-O 2.99Å; C60-C74 VanDerWaalsContact C-SG 3.59Å; C60-C74 HydrophobicContact CB-CB 3.85Å; C60-C74 WeakPolarHBondContact CB-SG 3.3Å; C60-C74 WeakPolarHBondContact SG-CB 3.38Å; C60-C74 CovalentContact SG-SG 2.03Å; C60-C74 PolarHBondContact SG-SG 2.94Å
61I92.9Very high89.8Confident2 Ų270.2 Ų70.21%0.0137%0.368CS..BIsolated β-bridgetrans-86.1127.5178.9-56.4-176.6000109.4V46 K48 L65 F66 D72 C74 C83V46-I61 HydrophobicContact CG2-CG1 3.78Å; K48-I61 HydrophobicContact CB-CG1 4.34Å; I61-L65 HydrophobicContact CG2-CB 3.42Å; I61-L65 VanDerWaalsContact CG2-CB 3.42Å; I61-L65 HydrophobicContact CG2-CD1 4.15Å; I61-L65 HydrophobicContact CG2-CG 4.45Å; I61-F66 WeakPolarHBondContact CD1-O 2.95Å; I61-D72 WeakPolarHBondContact CB-O 3.36Å; I61-D72 HydrophobicContact CD1-CB 3.67Å; I61-D72 HydrophobicContact CG1-CB 4.17Å; I61-D72 WeakPolarHBondContact CG1-O 3.34Å; I61-D72 PolarHBondContact N-O 3.23Å; I61-C74 PolarHBondContact O-N 3.43Å; I61-C74 PolarHBondContact O-SG 3.49Å; I61-C74 VanDerWaalsContact O-SG 3.32Å; I61-C83 WeakPolarHBondContact CG2-SG 3.36Å
62G90.6Very high90.1Very high29 Ų2962.3 Ų62.330%0.29934%0.339SS..PPolyproline II helixtrans-73.2170.417800000113.8L65 C83G62-L65 WeakPolarHBondContact O-CB 3.33Å; G62-L65 PolarHBondContact O-N 2.92Å; G62-C83 VanDerWaalsContact O-CB 3.28Å; G62-C83 WeakPolarHBondContact O-CB 3.34Å
63F91.9Very high90.5Very high121 Ų12155.6 Ų55.653%0.53131%0.305SS..THydrogen-bonded Turntrans-58.4143.8-178.3-53.7-62000113.3L65 C83 L84 K85F63-L65 PolarHBondContact O-N 2.8Å; F63-L65 VanDerWaalsContact O-N 3.17Å; F63-C83 CarbonylContact C-O 3.33Å; F63-C83 WeakPolarHBondContact CA-O 3.3Å; F63-L84 VanDerWaalsContact CD1-O 3.28Å; F63-L84 WeakPolarHBondContact CD1-O 3.48Å; F63-L84 WeakPolarHBondContact CE1-O 2.97Å; F63-K85 HydrophobicContact CD1-CB 4.18Å; F63-K85 VanDerWaalsContact CE1-CA 3.45Å; F63-K85 HydrophobicContact CE1-CB 4.01Å; F63-K85 HydrophobicContact CE1-CG 3.97Å; F63-K85 HydrophobicContact CZ-CG 4Å
64G88.6Confident91Very high49 Ų4952.4 Ų52.451%0.50530%0.299SS..THydrogen-bonded Turntrans72.9-3.7177.800000114.9H82 C83G64-H82 PolarHBondContact O-ND1 3.32Å; G64-C83 PolarHBondContact N-O 2.94Å
65L90.1Very high91.2Very high57 Ų5748.6 Ų48.630%0.29828%0.284SS..SBendtrans-88.4156.8178.9-68.2166.4000111.7K48 I61 G62 F63 C67 H82 C83K48-L65 HydrophobicContact CD-CD1 4.07Å; I61-L65 HydrophobicContact CG2-CB 3.42Å; I61-L65 VanDerWaalsContact CG2-CB 3.42Å; I61-L65 HydrophobicContact CG2-CD1 4.15Å; I61-L65 HydrophobicContact CG2-CG 4.45Å; G62-L65 WeakPolarHBondContact O-CB 3.33Å; G62-L65 PolarHBondContact O-N 2.92Å; F63-L65 PolarHBondContact O-N 2.8Å; F63-L65 VanDerWaalsContact O-N 3.17Å; L65-C67 PolarHBondContact O-N 2.71Å; L65-H82 WeakPolarHBondContact O-CA 3.29Å; L65-C83 PolarHBondContact O-N 3.49Å
66F89.6Confident91.2Very high80 Ų8054.4 Ų54.435%0.35131%0.308SS..BIsolated β-bridgetrans-62.7128.9-177.6-178.2-98000112I61 L68 F81I61-F66 WeakPolarHBondContact CD1-O 2.95Å; F66-L68 HydrophobicContact CE1-CD2 3.77Å; F66-L68 HydrophobicContact CE1-CG 3.91Å; F66-L68 HydrophobicContact CE2-CD2 4.47Å; F66-L68 HydrophobicContact CZ-CD2 3.48Å; F66-L68 VanDerWaalsContact CZ-CD2 3.48Å; F66-L68 HydrophobicContact CZ-CG 4.16Å; F66-F81 CarbonylContact C-O 3.59Å; F66-F81 WeakPolarHBondContact CA-O 3.37Å; F66-F81 HydrophobicContact CD2-CB 3.81Å; F66-F81 HydrophobicContact CE2-CB 3.64Å; F66-F81 HydrophobicContact CE2-CD1 4.05Å; F66-F81 HydrophobicContact CE2-CG 4.05Å; F66-F81 HydrophobicContact CZ-CD1 4.37Å
67C90.3Very high91.1Very high0 Ų056.9 Ų56.90%032%0.315CS..  trans-134.2150.7176.158.20000110.7L65 C73 C78 F81 H82 C83L65-C67 PolarHBondContact O-N 2.71Å; C67-C73 VanDerWaalsContact CB-SG 3.51Å; C67-C73 VanDerWaalsContact SG-SG 3.61Å; C67-C78 HydrophobicContact CB-CB 3.89Å; C67-C78 WeakPolarHBondContact CB-SG 3.39Å; C67-C78 PolarHBondContact O-SG 3.11Å; C67-C78 WeakPolarHBondContact SG-CA 2.93Å; C67-C78 WeakPolarHBondContact SG-CB 3.24Å; C67-C78 CovalentContact SG-SG 2.02Å; C67-C78 PolarHBondContact SG-SG 3.3Å; C67-F81 PolarHBondContact N-O 3.06Å; C67-F81 WeakPolarHBondContact O-CA 3.34Å; C67-F81 VanDerWaalsContact SG-C 3.51Å; C67-H82 PolarHBondContact SG-N 3.43Å; C67-H82 VanDerWaalsContact SG-N 3.44Å; C67-H82 PolarHBondContact SG-O 3.25Å; C67-C83 PolarHBondContact SG-N 3.26Å; C67-C83 VanDerWaalsContact SG-N 3.43Å
68L87.1Confident91.1Very high104 Ų10458.6 Ų58.655%0.54533%0.327SS..SBendtrans-108.1-29.3169.8-68.6-173.6000112K35 F66 F81K35-L68 HydrophobicContact CD-CD1 3.83Å; K35-L68 HydrophobicContact CD-CG 4.36Å; F66-L68 HydrophobicContact CE1-CD2 3.77Å; F66-L68 HydrophobicContact CE1-CG 3.91Å; F66-L68 HydrophobicContact CE2-CD2 4.47Å; F66-L68 HydrophobicContact CZ-CD2 3.48Å; F66-L68 VanDerWaalsContact CZ-CD2 3.48Å; F66-L68 HydrophobicContact CZ-CG 4.16Å; L68-F81 HydrophobicContact CD2-CD1 4.02Å; L68-F81 HydrophobicContact CD2-CE1 4.22Å
69S87.7Confident91Very high49 Ų4961.5 Ų61.534%0.34334%0.341SS..SBendtrans-124.2146.3177-172.70000110.4D71 D72S69-D71 PolarHBondContact O-N 3.17Å; S69-D71 PolarHBondContact OG-N 3.43Å; S69-D72 PolarHBondContact N-OD2 3.33Å; S69-D72 WeakPolarHBondContact O-CB 3.25Å; S69-D72 PolarHBondContact O-N 2.99Å
70G88.2Confident90.9Very high20 Ų2065.5 Ų65.521%0.20635%0.354CS..G310 helixtrans-54.9-38.7170.800000111.4D72 C73 K76G70-D72 PolarHBondContact O-N 3.12Å; G70-D72 VanDerWaalsContact O-N 3.16Å; G70-C73 WeakPolarHBondContact O-CB 3.41Å; G70-C73 PolarHBondContact O-N 3.38Å; G70-K76 CarbonylContact O-C 3.59Å; G70-K76 WeakPolarHBondContact O-CA 3.32Å
71D88.3Confident90.7Very high105 Ų10569.1 Ų69.156%0.56136%0.364SS*.G310 helixtrans-62.4-23.1-179.2-79.5-61.9000115.2S69 C73 K76S69-D71 PolarHBondContact O-N 3.17Å; S69-D71 PolarHBondContact OG-N 3.43Å; D71-C73 VanDerWaalsContact C-N 3.27Å; D71-K76 PolarHBondContact O-NZ 2.76Å; D71-K76 IonicContact OD1-NZ 2.58Å; D71-K76 PolarHBondContact OD1-NZ 3.11Å
72D89.6Confident90.6Very high23 Ų2373.2 Ų73.212%0.12338%0.383CS..G310 helixtrans-69.7-29.5176.3-62.7-22.3000111.2K35 V46 I61 S69 G70K35-D72 IonicContact NZ-OD2 3Å; K35-D72 PolarHBondContact NZ-OD2 3Å; V46-D72 HydrophobicContact CB-CB 4.42Å; V46-D72 HydrophobicContact CG1-CB 4.39Å; I61-D72 WeakPolarHBondContact CB-O 3.36Å; I61-D72 HydrophobicContact CD1-CB 3.67Å; I61-D72 HydrophobicContact CG1-CB 4.17Å; I61-D72 WeakPolarHBondContact CG1-O 3.34Å; I61-D72 PolarHBondContact N-O 3.23Å; S69-D72 PolarHBondContact N-OD2 3.33Å; S69-D72 WeakPolarHBondContact O-CB 3.25Å; S69-D72 PolarHBondContact O-N 2.99Å; G70-D72 PolarHBondContact O-N 3.12Å; G70-D72 VanDerWaalsContact O-N 3.16Å
73C92.3Very high90.7Very high1 Ų171.9 Ų71.91%0.00737%0.369CS..BIsolated β-bridgetrans-81.6141.5-175.9-61.10000112C67 G70 D71 S75 K76 R77 C83C67-C73 VanDerWaalsContact CB-SG 3.51Å; C67-C73 VanDerWaalsContact SG-SG 3.61Å; G70-C73 WeakPolarHBondContact O-CB 3.41Å; G70-C73 PolarHBondContact O-N 3.38Å; D71-C73 VanDerWaalsContact C-N 3.27Å; C73-S75 PolarHBondContact O-N 3.36Å; C73-S75 VanDerWaalsContact O-N 3.11Å; C73-K76 PolarHBondContact O-N 3.49Å; C73-R77 PolarHBondContact SG-O 3.08Å; C73-C83 VanDerWaalsContact CA-SG 3.5Å; C73-C83 HydrophobicContact CB-CB 3.69Å; C73-C83 WeakPolarHBondContact CB-SG 3.23Å; C73-C83 WeakPolarHBondContact SG-CA 3.11Å; C73-C83 WeakPolarHBondContact SG-CB 3.35Å; C73-C83 CovalentContact SG-SG 2.03Å; C73-C83 PolarHBondContact SG-SG 3.38Å
74C93.3Very high90.7Very high68 Ų6869.8 Ų69.846%0.45936%0.363SS..THydrogen-bonded Turntrans-59.1-26.3173.4-50.30000112.4C60 I61C60-C74 VanDerWaalsContact C-SG 3.59Å; C60-C74 HydrophobicContact CB-CB 3.85Å; C60-C74 WeakPolarHBondContact CB-SG 3.3Å; C60-C74 WeakPolarHBondContact SG-CB 3.38Å; C60-C74 CovalentContact SG-SG 2.03Å; C60-C74 PolarHBondContact SG-SG 2.94Å; I61-C74 PolarHBondContact O-N 3.43Å; I61-C74 PolarHBondContact O-SG 3.49Å; I61-C74 VanDerWaalsContact O-SG 3.32Å
75S92.6Very high90.7Very high27 Ų2776.9 Ų76.919%0.18938%0.38CS..THydrogen-bonded Turntrans-87-6176560000115.3C73 R77 L84C73-S75 PolarHBondContact O-N 3.36Å; C73-S75 VanDerWaalsContact O-N 3.11Å; S75-R77 PolarHBondContact O-N 3.03Å; S75-R77 PolarHBondContact OG-N 3.44Å; S75-L84 WeakPolarHBondContact CB-O 3.28Å; S75-L84 PolarHBondContact OG-O 3.29Å
76K92.4Very high90.7Very high126 Ų12677.9 Ų77.955%0.54838%0.384SS..SBendtrans60.117.7-170-58.3-62.1-171.1171.30114.7G70 D71 C73G70-K76 CarbonylContact O-C 3.59Å; G70-K76 WeakPolarHBondContact O-CA 3.32Å; D71-K76 PolarHBondContact O-NZ 2.76Å; D71-K76 IonicContact OD1-NZ 2.58Å; D71-K76 PolarHBondContact OD1-NZ 3.11Å; C73-K76 PolarHBondContact O-N 3.49Å
77R92.4Very high90.7Very high154 Ų15477.7 Ų77.758%0.58139%0.385SS*.  trans-123.5107.9-177.9-68.9175.9176.3-173.5-4.2111.1C73 S75 C83 L84 K85C73-R77 PolarHBondContact SG-O 3.08Å; S75-R77 PolarHBondContact O-N 3.03Å; S75-R77 PolarHBondContact OG-N 3.44Å; R77-C83 WeakPolarHBondContact O-CA 3.47Å; R77-L84 HydrophobicContact CB-CB 4.23Å; R77-L84 PolarHBondContact O-N 3.39Å; R77-K85 PolarHBondContact NH1-O 3.02Å
78C92.9Very high90.8Very high37 Ų3782.1 Ų82.125%0.2541%0.407CS..EExtended strand (participates in β ladder)trans-111.9115.1171.1-174.90000109C67C67-C78 HydrophobicContact CB-CB 3.89Å; C67-C78 WeakPolarHBondContact CB-SG 3.39Å; C67-C78 PolarHBondContact O-SG 3.11Å; C67-C78 WeakPolarHBondContact SG-CA 2.93Å; C67-C78 WeakPolarHBondContact SG-CB 3.24Å; C67-C78 CovalentContact SG-SG 2.02Å; C67-C78 PolarHBondContact SG-SG 3.3Å
79L93Very high91Very high95 Ų9580.8 Ų80.850%0.49740%0.399SS..EExtended strand (participates in β ladder)trans-134.8139.3177.3-165.574.1000109.3F81 H82 L84L79-F81 PolarHBondContact O-N 3.23Å; L79-H82 PolarHBondContact N-O 3.49Å; L79-H82 PolarHBondContact O-N 3.21Å; L79-H82 VanDerWaalsContact O-O 3.04Å; L79-L84 HydrophobicContact CB-CD1 3.5Å; L79-L84 HydrophobicContact CB-CG 4.1Å; L79-L84 HydrophobicContact CD2-CD1 3.74Å; L79-L84 HydrophobicContact CG-CD1 4.26Å
80F91.2Very high91.2Very high175 Ų17582.8 Ų82.877%0.76840%0.402SS*.THydrogen-bonded Turntrans52.534.8-174.7-65.5-77.7000113.2H82F80-H82 PolarHBondContact O-CD2 3.05Å; F80-H82 PolarHBondContact O-N 3.07Å
81F89.8Confident91.4Very high129 Ų12986.9 Ų86.957%0.56642%0.415SS*.THydrogen-bonded Turntrans62.817.9-173.6-51.2-80.7000115.2F66 C67 L68 L79F66-F81 CarbonylContact C-O 3.59Å; F66-F81 WeakPolarHBondContact CA-O 3.37Å; F66-F81 HydrophobicContact CD2-CB 3.81Å; F66-F81 HydrophobicContact CE2-CB 3.64Å; F66-F81 HydrophobicContact CE2-CD1 4.05Å; F66-F81 HydrophobicContact CE2-CG 4.05Å; F66-F81 HydrophobicContact CZ-CD1 4.37Å; C67-F81 PolarHBondContact N-O 3.06Å; C67-F81 WeakPolarHBondContact O-CA 3.34Å; C67-F81 VanDerWaalsContact SG-C 3.51Å; L68-F81 HydrophobicContact CD2-CD1 4.02Å; L68-F81 HydrophobicContact CD2-CE1 4.22Å; L79-F81 PolarHBondContact O-N 3.23Å
82H91.1Very high91.6Very high88 Ų8885.6 Ų85.641%0.40741%0.405SS..EExtended strand (participates in β ladder)trans-125.2142.9176.6-67.9-81.2000112.3G64 L65 C67 L79 F80 L84G64-H82 PolarHBondContact O-ND1 3.32Å; L65-H82 WeakPolarHBondContact O-CA 3.29Å; C67-H82 PolarHBondContact SG-N 3.43Å; C67-H82 VanDerWaalsContact SG-N 3.44Å; C67-H82 PolarHBondContact SG-O 3.25Å; L79-H82 PolarHBondContact N-O 3.49Å; L79-H82 PolarHBondContact O-N 3.21Å; L79-H82 VanDerWaalsContact O-O 3.04Å; F80-H82 PolarHBondContact O-CD2 3.05Å; F80-H82 PolarHBondContact O-N 3.07Å; H82-L84 PolarHBondContact O-N 3.39Å
83C92.5Very high91.7Very high2 Ų290.5 Ų90.51%0.01443%0.427CS..EExtended strand (participates in β ladder)trans-71.2123.1173-66.20000110.6I61 G62 F63 G64 L65 C67 C73 R77I61-C83 WeakPolarHBondContact CG2-SG 3.36Å; G62-C83 VanDerWaalsContact O-CB 3.28Å; G62-C83 WeakPolarHBondContact O-CB 3.34Å; F63-C83 CarbonylContact C-O 3.33Å; F63-C83 WeakPolarHBondContact CA-O 3.3Å; G64-C83 PolarHBondContact N-O 2.94Å; L65-C83 PolarHBondContact O-N 3.49Å; C67-C83 PolarHBondContact SG-N 3.26Å; C67-C83 VanDerWaalsContact SG-N 3.43Å; C73-C83 VanDerWaalsContact CA-SG 3.5Å; C73-C83 HydrophobicContact CB-CB 3.69Å; C73-C83 WeakPolarHBondContact CB-SG 3.23Å; C73-C83 WeakPolarHBondContact SG-CA 3.11Å; C73-C83 WeakPolarHBondContact SG-CB 3.35Å; C73-C83 CovalentContact SG-SG 2.03Å; C73-C83 PolarHBondContact SG-SG 3.38Å; R77-C83 WeakPolarHBondContact O-CA 3.47Å
84L91.8Very high91.7Very high77 Ų7797.9 Ų97.940%0.40346%0.462SS..  trans-96.9166.5177.3-66.2-175.8000111.9F63 S75 R77 L79 H82F63-L84 VanDerWaalsContact CD1-O 3.28Å; F63-L84 WeakPolarHBondContact CD1-O 3.48Å; F63-L84 WeakPolarHBondContact CE1-O 2.97Å; S75-L84 WeakPolarHBondContact CB-O 3.28Å; S75-L84 PolarHBondContact OG-O 3.29Å; R77-L84 HydrophobicContact CB-CB 4.23Å; R77-L84 PolarHBondContact O-N 3.39Å; L79-L84 HydrophobicContact CB-CD1 3.5Å; L79-L84 HydrophobicContact CB-CG 4.1Å; L79-L84 HydrophobicContact CD2-CD1 3.74Å; L79-L84 HydrophobicContact CG-CD1 4.26Å; H82-L84 PolarHBondContact O-N 3.39Å
85K87.5Confident91.6Very high197 Ų197100.6 Ų100.686%0.85746%0.462SS*.  trans-73.60174.8-162172.1-179.2176.40113.5F63 R77F63-K85 HydrophobicContact CD1-CB 4.18Å; F63-K85 VanDerWaalsContact CE1-CA 3.45Å; F63-K85 HydrophobicContact CE1-CB 4.01Å; F63-K85 HydrophobicContact CE1-CG 3.97Å; F63-K85 HydrophobicContact CZ-CG 4Å; R77-K85 PolarHBondContact NH1-O 3.02Å

Retrieved 85 of 85 residues in 99.8 ms (Link to these results)