A0A096MBJ5_POEFO Loading...

Placental growth factor b

AlphaFold DB , UniProt , Accession A0A096MBJ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 132 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
1M76.9Confident94.3Very high244 Ų244119.5 Ų119.5100%1.20260%0.604SS**  0120.40-147.5170.3-171.600106.1
2E92.4Very high94.4Very high178 Ų178121 Ų12183%0.83260%0.596SS**PPolyproline II helixtrans-84.9137.3-179.9-172.6176.1177.500109.4
3V95.8Very high94.6Very high113 Ų113115.1 Ų115.169%0.68557%0.574SS**PPolyproline II helixtrans-103.5119179.3178.50000108.3
4L96.7Very high94.8Very high79 Ų79112.8 Ų112.841%0.41456%0.559SS.*PPolyproline II helixtrans-68132.1170.9-61.2-174.6000109.8V9L4-V9 HydrophobicContact CB-CG2 3.83Å
5M97.9Very high95Very high135 Ų135106.1 Ų106.167%0.66553%0.527SS*.PPolyproline II helixtrans-72.1152-179.7-65.5-64.7170.800110.8Q7 E8 V9M5-Q7 VanDerWaalsContact C-N 3.26Å; M5-Q7 PolarHBondContact O-N 3.24Å; M5-Q7 VanDerWaalsContact O-N 3.17Å; M5-E8 WeakPolarHBondContact O-CB 3.11Å; M5-E8 PolarHBondContact O-N 3.31Å; M5-V9 PolarHBondContact O-N 3.16Å
6F96.3Very high95.2Very high138 Ų138106.3 Ų106.361%0.60552%0.52SS*.Hα-helixtrans-50.7-45.2-178.4168.9-97.3000113E8 V9 W10F6-E8 PolarHBondContact O-N 3.07Å; F6-V9 PolarHBondContact O-N 2.82Å; F6-W10 HydrophobicContact CE1-CB 4.38Å; F6-W10 HydrophobicContact CE2-CE3 4.43Å; F6-W10 HydrophobicContact CZ-CB 4.31Å; F6-W10 HydrophobicContact CZ-CD2 4.37Å; F6-W10 HydrophobicContact CZ-CE3 4.01Å; F6-W10 VanDerWaalsContact O-CB 3.31Å; F6-W10 WeakPolarHBondContact O-CB 3.36Å; F6-W10 PolarHBondContact O-N 2.91Å
7Q96.7Very high95.4Very high139 Ų139103.3 Ų103.365%0.6551%0.509SS*.Hα-helixtrans-61.3-34.7-179.5-67.8-61.7-31.900112.5M5 G11M5-Q7 VanDerWaalsContact C-N 3.26Å; M5-Q7 PolarHBondContact O-N 3.24Å; M5-Q7 VanDerWaalsContact O-N 3.17Å; Q7-G11 PolarHBondContact O-N 3.01Å
8E96.8Very high95.5Very high69 Ų69100.7 Ų100.732%0.32250%0.497SS..Hα-helixtrans-73.6-43.9177.9-179.8173-167.500111.3M5 F6 G11 R12M5-E8 WeakPolarHBondContact O-CB 3.11Å; M5-E8 PolarHBondContact O-N 3.31Å; F6-E8 PolarHBondContact O-N 3.07Å; E8-G11 PolarHBondContact O-N 3.17Å; E8-R12 HydrophobicContact CG-CG 4.5Å; E8-R12 WeakPolarHBondContact O-CB 3.42Å; E8-R12 WeakPolarHBondContact O-CG 3.41Å; E8-R12 PolarHBondContact O-N 2.7Å; E8-R12 IonicContact OE1-CZ 4Å; E8-R12 IonicContact OE1-NE 3.37Å; E8-R12 PolarHBondContact OE1-NE 3.33Å; E8-R12 IonicContact OE1-NH2 2.61Å; E8-R12 PolarHBondContact OE1-NH2 3.03Å
9V97.1Very high95.7Very high72 Ų72103.5 Ų103.544%0.43651%0.509SS..Hα-helixtrans-60.4-47.5174.6177.30000110.4L4 M5 F6 R12 S13L4-V9 HydrophobicContact CB-CG2 3.83Å; M5-V9 PolarHBondContact O-N 3.16Å; F6-V9 PolarHBondContact O-N 2.82Å; V9-R12 PolarHBondContact O-N 2.98Å; V9-S13 WeakPolarHBondContact O-CB 3.15Å; V9-S13 PolarHBondContact O-N 3.28Å; V9-S13 PolarHBondContact O-OG 3.47Å
10W95.6Very high95.7Very high107 Ų107104.8 Ų104.841%0.40551%0.511SS..Hα-helixtrans-58.9-52.8176.2-178.5-92.5000111.8F6 R12 S13 F14F6-W10 HydrophobicContact CE1-CB 4.38Å; F6-W10 HydrophobicContact CE2-CE3 4.43Å; F6-W10 HydrophobicContact CZ-CB 4.31Å; F6-W10 HydrophobicContact CZ-CD2 4.37Å; F6-W10 HydrophobicContact CZ-CE3 4.01Å; F6-W10 VanDerWaalsContact O-CB 3.31Å; F6-W10 WeakPolarHBondContact O-CB 3.36Å; F6-W10 PolarHBondContact O-N 2.91Å; W10-R12 VanDerWaalsContact C-N 3.32Å; W10-R12 PolarHBondContact O-N 3.3Å; W10-S13 PolarHBondContact O-N 2.76Å; W10-S13 PolarHBondContact O-OG 2.91Å; W10-S13 VanDerWaalsContact O-OG 3.14Å; W10-F14 HydrophobicContact CZ2-CD2 4.25Å; W10-F14 WeakPolarHBondContact O-CB 3.47Å; W10-F14 PolarHBondContact O-N 3.46Å
11G94.9Very high95.9Very high41 Ų41105 Ų10542%0.42351%0.514SS..Hα-helixtrans-62.6-35.1-17900000113.8Q7 E8Q7-G11 PolarHBondContact O-N 3.01Å; E8-G11 PolarHBondContact O-N 3.17Å
12R96Very high96.8Very high137 Ų13793.8 Ų93.852%0.51746%0.459SS..Hα-helixtrans-74.4-28.5177.4-71.2175.4-178.7-142.32.8113E8 V9 W10 R16E8-R12 HydrophobicContact CG-CG 4.5Å; E8-R12 WeakPolarHBondContact O-CB 3.42Å; E8-R12 WeakPolarHBondContact O-CG 3.41Å; E8-R12 PolarHBondContact O-N 2.7Å; E8-R12 IonicContact OE1-CZ 4Å; E8-R12 IonicContact OE1-NE 3.37Å; E8-R12 PolarHBondContact OE1-NE 3.33Å; E8-R12 IonicContact OE1-NH2 2.61Å; E8-R12 PolarHBondContact OE1-NH2 3.03Å; V9-R12 PolarHBondContact O-N 2.98Å; W10-R12 VanDerWaalsContact C-N 3.32Å; W10-R12 PolarHBondContact O-N 3.3Å; R12-R16 PolarHBondContact O-NE 2.88Å; R12-R16 PolarHBondContact O-NH2 3.13Å
13S96.6Very high97Very high44 Ų4490 Ų9031%0.30844%0.442SS..Hα-helixtrans-94.9-17.9-177.156.60000113.9V9 W10 G48 C49V9-S13 WeakPolarHBondContact O-CB 3.15Å; V9-S13 PolarHBondContact O-N 3.28Å; V9-S13 PolarHBondContact O-OG 3.47Å; W10-S13 PolarHBondContact O-N 2.76Å; W10-S13 PolarHBondContact O-OG 2.91Å; W10-S13 VanDerWaalsContact O-OG 3.14Å; S13-G48 CarbonylContact O-C 3.44Å; S13-G48 WeakPolarHBondContact O-CA 3.49Å; S13-C49 PolarHBondContact O-N 2.8Å; S13-C49 PolarHBondContact O-SG 2.89Å
14F97.7Very high97Very high83 Ų8384.7 Ų84.736%0.36441%0.409SS..BIsolated β-bridgetrans-65.9148.9179.4-168.3-102.8000112.4W10 R16 C49W10-F14 HydrophobicContact CZ2-CD2 4.25Å; W10-F14 WeakPolarHBondContact O-CB 3.47Å; W10-F14 PolarHBondContact O-N 3.46Å; F14-R16 WeakPolarHBondContact O-CG 3.31Å; F14-R16 PolarHBondContact O-N 2.91Å; F14-R16 VanDerWaalsContact O-N 3.12Å; F14-C49 WeakPolarHBondContact CA-O 3.02Å
15C98.3Very high96.8Very high12 Ų1284.6 Ų84.68%0.08141%0.412CS..SBendtrans-46.7113.6-178.91770000112.9A47 C49 C57 C94C15-A47 WeakPolarHBondContact CA-O 3.43Å; C15-C49 PolarHBondContact N-O 3.35Å; C15-C57 WeakPolarHBondContact CA-SG 3.48Å; C15-C57 HydrophobicContact CB-CB 3.73Å; C15-C57 WeakPolarHBondContact CB-SG 3.33Å; C15-C57 VanDerWaalsContact SG-CA 3.51Å; C15-C57 WeakPolarHBondContact SG-CB 3.34Å; C15-C57 CovalentContact SG-SG 2.03Å; C15-C57 PolarHBondContact SG-SG 2.84Å; C15-C94 VanDerWaalsContact CB-SG 3.5Å
16R97.7Very high96.6Very high110 Ų11084 Ų8442%0.41541%0.408SS..EExtended strand (participates in β ladder)trans-157.1173.2179.568.8-173.8-178.9161.33.3111.5R12 F14 M18 C46 A47 C92R12-R16 PolarHBondContact O-NE 2.88Å; R12-R16 PolarHBondContact O-NH2 3.13Å; F14-R16 WeakPolarHBondContact O-CG 3.31Å; F14-R16 PolarHBondContact O-N 2.91Å; F14-R16 VanDerWaalsContact O-N 3.12Å; R16-M18 HydrophobicContact CG-CG 3.85Å; R16-M18 HydrophobicContact CG-SD 4.26Å; R16-C46 WeakPolarHBondContact O-CA 3.39Å; R16-A47 PolarHBondContact N-O 2.85Å; R16-A47 PolarHBondContact O-N 2.63Å; R16-A47 VanDerWaalsContact O-O 3.04Å; R16-C92 VanDerWaalsContact C-SG 3.52Å
17T98.3Very high96.5Very high55 Ų5580.6 Ų80.634%0.33739%0.393SS..EExtended strand (participates in β ladder)trans-74.2129.1169.848.10000110.6V44 R45 H89 K90 C92T17-V44 HydrophobicContact CG2-CG1 3.98Å; T17-R45 WeakPolarHBondContact CA-O 3.37Å; T17-H89 HydrophobicContact CG2-CB 4.44Å; T17-H89 VanDerWaalsContact CG2-O 3.22Å; T17-H89 WeakPolarHBondContact CG2-O 3.3Å; T17-K90 WeakPolarHBondContact CG2-O 2.97Å; T17-C92 VanDerWaalsContact CG2-SG 3.53Å
18M98.1Very high96.3Very high57 Ų5777.1 Ų77.128%0.28138%0.375SS..EExtended strand (participates in β ladder)trans-139.1145175.8-64.7-170.7-73.700109.7R16 K20 R45 A47R16-M18 HydrophobicContact CG-CG 3.85Å; R16-M18 HydrophobicContact CG-SD 4.26Å; M18-K20 PolarHBondContact O-N 3.24Å; M18-R45 PolarHBondContact N-O 2.78Å; M18-R45 PolarHBondContact O-N 2.93Å; M18-A47 VanDerWaalsContact CE-C 3.45Å; M18-A47 HydrophobicContact CE-CB 3.31Å
19E97.9Very high95.9Very high154 Ų15478.2 Ų78.272%0.7239%0.388SS*.EExtended strand (participates in β ladder)trans-67.5130.9171.7-170.6179.6101.500109.6P42 L43E19-P42 HydrophobicContact CG-CB 3.98Å; E19-L43 WeakPolarHBondContact CA-O 3.35Å
20K97.4Very high95.1Very high129 Ų12980.3 Ų80.356%0.56140%0.401SS*.EExtended strand (participates in β ladder)trans-138.9142.1176.6-174.5-177.2174.8-172.90109.4M18 V22 L43M18-K20 PolarHBondContact O-N 3.24Å; K20-V22 PolarHBondContact O-N 3.23Å; K20-L43 PolarHBondContact N-O 3.12Å; K20-L43 PolarHBondContact O-N 3.02Å
21L98.3Very high94Very high109 Ų10978.1 Ų78.157%0.57140%0.395SS*.EExtended strand (participates in β ladder)trans-74.4122.8168.1-62.8178.6000110C40 V41 P42L21-C40 HydrophobicContact CB-CB 4.47Å; L21-V41 WeakPolarHBondContact CA-O 3.35Å; L21-P42 HydrophobicContact CD2-CB 4.17Å
22V97.3Very high92.9Very high8 Ų882.1 Ų82.15%0.04841%0.411CS..EExtended strand (participates in β ladder)trans-117.4130.6178.2-176.70000108.6K20 E27 C40 V41 L43 R45K20-V22 PolarHBondContact O-N 3.23Å; V22-E27 HydrophobicContact CG1-CG 3.68Å; V22-E27 WeakPolarHBondContact CG1-OE1 3.29Å; V22-C40 CarbonylContact O-C 3.59Å; V22-C40 WeakPolarHBondContact O-CA 3.38Å; V22-C40 WeakPolarHBondContact O-CB 3.41Å; V22-V41 PolarHBondContact N-O 3.11Å; V22-V41 PolarHBondContact O-N 3.1Å; V22-L43 HydrophobicContact CB-CD1 4.03Å; V22-L43 HydrophobicContact CG2-CB 4.29Å; V22-L43 HydrophobicContact CG2-CD1 4.11Å; V22-R45 HydrophobicContact CG2-CG 4.34Å
23E96.5Very high92.1Very high100 Ų10082.6 Ų82.647%0.46742%0.419SS..EExtended strand (participates in β ladder)trans-67.7132.2176.7-68.4-178.7172.100110.6V25 Q26E23-V25 VanDerWaalsContact C-N 3.25Å; E23-V25 HydrophobicContact CB-CG2 4.2Å; E23-V25 PolarHBondContact O-N 3.11Å; E23-Q26 HydrophobicContact CB-CB 4.41Å; E23-Q26 HydrophobicContact CB-CG 3.92Å; E23-Q26 WeakPolarHBondContact O-CB 3.33Å; E23-Q26 PolarHBondContact O-N 2.64Å; E23-Q26 VanDerWaalsContact O-N 3.09Å; E23-Q26 PolarHBondContact OE2-NE2 2.77Å
24V95.7Very high91.6Very high1 Ų182.1 Ų82.11%0.00641%0.412CS..Hα-helixtrans-60.3-38.7-177.11770000111.2Q26 E27 Y28 Y36 S39 V41 L69 M84 F86V24-Q26 VanDerWaalsContact C-N 3.27Å; V24-Q26 PolarHBondContact O-N 2.92Å; V24-E27 PolarHBondContact O-N 3.1Å; V24-Y28 HydrophobicContact CG1-CD2 4.49Å; V24-Y28 PolarHBondContact O-N 2.85Å; V24-Y36 HydrophobicContact CB-CD2 4.33Å; V24-Y36 HydrophobicContact CB-CG 4.47Å; V24-Y36 HydrophobicContact CG1-CD1 4.37Å; V24-Y36 HydrophobicContact CG1-CD2 3.6Å; V24-Y36 HydrophobicContact CG1-CE2 4.09Å; V24-Y36 HydrophobicContact CG1-CG 3.76Å; V24-S39 WeakPolarHBondContact CG2-O 3.41Å; V24-S39 PolarHBondContact N-O 2.75Å; V24-V41 HydrophobicContact CG2-CG1 4.16Å; V24-L69 HydrophobicContact CB-CD2 4.47Å; V24-L69 HydrophobicContact CG1-CD2 4.16Å; V24-L69 HydrophobicContact CG2-CD2 3.5Å; V24-L69 VanDerWaalsContact CG2-CD2 3.5Å; V24-M84 HydrophobicContact CG1-CE 3.32Å; V24-F86 HydrophobicContact CG1-CE1 4.46Å; V24-F86 HydrophobicContact CG1-CZ 4.34Å; V24-F86 HydrophobicContact CG2-CE1 4.48Å; V24-F86 HydrophobicContact CG2-CZ 4.27Å
25V92.7Very high91.3Very high76 Ų7682.8 Ų82.846%0.46142%0.418SS..Hα-helixtrans-67.5-23.2179.5-62.70000113.8E23 Y28 P29E23-V25 VanDerWaalsContact C-N 3.25Å; E23-V25 HydrophobicContact CB-CG2 4.2Å; E23-V25 PolarHBondContact O-N 3.11Å; V25-Y28 CarbonylContact O-C 3.57Å; V25-P29 VanDerWaalsContact O-CA 3.31Å; V25-P29 WeakPolarHBondContact O-CA 3.18Å
26Q93.1Very high91.2Very high124 Ų12482.7 Ų82.758%0.57942%0.416SS*.Hα-helixtrans-75-34.5175.4-67.9178.214.600111.2E23 V24E23-Q26 HydrophobicContact CB-CB 4.41Å; E23-Q26 HydrophobicContact CB-CG 3.92Å; E23-Q26 WeakPolarHBondContact O-CB 3.33Å; E23-Q26 PolarHBondContact O-N 2.64Å; E23-Q26 VanDerWaalsContact O-N 3.09Å; E23-Q26 PolarHBondContact OE2-NE2 2.77Å; V24-Q26 VanDerWaalsContact C-N 3.27Å; V24-Q26 PolarHBondContact O-N 2.92Å
27E94.5Very high91.1Very high66 Ų6680.4 Ų80.431%0.30842%0.417SS..Hα-helixtrans-78.9-29.8176.5-60.9-73.2138.400111.5V22 V24 P29 R45 F86V22-E27 HydrophobicContact CG1-CG 3.68Å; V22-E27 WeakPolarHBondContact CG1-OE1 3.29Å; V24-E27 PolarHBondContact O-N 3.1Å; E27-P29 VanDerWaalsContact C-CD 3.45Å; E27-P29 WeakPolarHBondContact O-CD 3.4Å; E27-R45 IonicContact OE1-CZ 3.97Å; E27-R45 IonicContact OE1-NH1 2.63Å; E27-R45 PolarHBondContact OE1-NH1 2.91Å; E27-R45 IonicContact OE1-NH2 2.78Å; E27-R45 PolarHBondContact OE1-NH2 2.66Å; E27-R45 IonicContact OE2-CZ 2.78Å; E27-R45 IonicContact OE2-NH1 3.15Å; E27-R45 IonicContact OE2-NH2 3.46Å; E27-R45 PolarHBondContact OE2-NH2 3.25Å; E27-F86 HydrophobicContact CB-CD1 4.26Å; E27-F86 HydrophobicContact CB-CE1 4.32Å; E27-F86 HydrophobicContact CG-CD1 4.16Å; E27-F86 HydrophobicContact CG-CE1 4.46Å
28Y92.8Very high91Very high66 Ų6681.1 Ų81.126%0.25942%0.423SS..  trans-12565-178.3-68.6-88.1000112.5V24 V25 T30 E31 M84 T85 F86V24-Y28 HydrophobicContact CG1-CD2 4.49Å; V24-Y28 PolarHBondContact O-N 2.85Å; V25-Y28 CarbonylContact O-C 3.57Å; Y28-T30 PolarHBondContact O-N 2.51Å; Y28-T30 VanDerWaalsContact O-N 3.13Å; Y28-E31 PolarHBondContact O-N 2.89Å; Y28-M84 HydrophobicContact CD2-CE 3.63Å; Y28-M84 HydrophobicContact CE2-CE 3.83Å; Y28-M84 HydrophobicContact CG-CE 4.03Å; Y28-T85 PolarHBondContact OH-N 2.9Å; Y28-T85 PolarHBondContact OH-O 3.46Å; Y28-F86 HydrophobicContact CD2-CE1 4.15Å; Y28-F86 HydrophobicContact CE2-CD1 4.08Å; Y28-F86 AromaticContact CE2-CE1 3.74Å; Y28-F86 HydrophobicContact CE2-CE1 3.74Å; Y28-F86 HydrophobicContact CE2-CZ 4.23Å
29P86.8Confident90.9Very high91 Ų9182.4 Ų82.459%0.59144%0.438SS*.THydrogen-bonded Turntrans-68.1-14.4-173.427.9-36.2000114.3V25 E27 E31 V32V25-P29 VanDerWaalsContact O-CA 3.31Å; V25-P29 WeakPolarHBondContact O-CA 3.18Å; E27-P29 VanDerWaalsContact C-CD 3.45Å; E27-P29 WeakPolarHBondContact O-CD 3.4Å; P29-E31 VanDerWaalsContact C-N 3.34Å; P29-V32 WeakPolarHBondContact O-CG1 3.47Å
30T81.8Confident90.9Very high117 Ų11777 Ų7772%0.71842%0.416SS*.THydrogen-bonded Turntrans-79.6-15178.649.90000113.4Y28 V32Y28-T30 PolarHBondContact O-N 2.51Å; Y28-T30 VanDerWaalsContact O-N 3.13Å; T30-V32 VanDerWaalsContact C-N 3.31Å; T30-V32 PolarHBondContact O-N 2.84Å; T30-V32 VanDerWaalsContact O-N 3.17Å
31E72.7Confident90.9Very high61 Ų6171 Ų7129%0.28539%0.391SS..  trans-90.753.2-175.1-65.8-68.4144.100112.1Y28 P29 E33 H34 Y36 K71Y28-E31 PolarHBondContact O-N 2.89Å; P29-E31 VanDerWaalsContact C-N 3.34Å; E31-E33 VanDerWaalsContact C-N 3.26Å; E31-E33 PolarHBondContact O-N 2.92Å; E31-H34 IonicContact OE2-CE1 3.35Å; E31-H34 PolarHBondContact OE2-CE1 2.79Å; E31-H34 IonicContact OE2-ND1 3.03Å; E31-H34 PolarHBondContact OE2-ND1 2.82Å; E31-Y36 HydrophobicContact CB-CE2 4.18Å; E31-Y36 PolarHBondContact OE2-OH 3.21Å; E31-K71 IonicContact OE2-NZ 3.28Å; E31-K71 PolarHBondContact OE2-NZ 2.88Å
32V71.1Confident90.9Very high124 Ų12468.6 Ų68.675%0.75238%0.381SS*.THydrogen-bonded Turntrans-71.2-13.9-170-65.40000115.3P29 T30P29-V32 WeakPolarHBondContact O-CG1 3.47Å; T30-V32 VanDerWaalsContact C-N 3.31Å; T30-V32 PolarHBondContact O-N 2.84Å; T30-V32 VanDerWaalsContact O-N 3.17Å
33E79.6Confident91Very high147 Ų14768.2 Ų68.269%0.68738%0.379SS*.THydrogen-bonded Turntrans-94.31-176-61.7-175.7171.200113.4E31 P74E31-E33 VanDerWaalsContact C-N 3.26Å; E31-E33 PolarHBondContact O-N 2.92Å; E33-P74 WeakPolarHBondContact O-CD 3.24Å
34H85.9Confident91.1Very high34 Ų3465.5 Ų65.516%0.15737%0.369CS..  trans-120.5141.3-167.8-57.5113.8000112.8E31 Y36 K71 R73E31-H34 IonicContact OE2-CE1 3.35Å; E31-H34 PolarHBondContact OE2-CE1 2.79Å; E31-H34 IonicContact OE2-ND1 3.03Å; E31-H34 PolarHBondContact OE2-ND1 2.82Å; H34-Y36 HydrophobicContact CB-CE2 4Å; H34-K71 HydrophobicContact CB-CG 4.28Å; H34-K71 WeakPolarHBondContact CD2-CE 3.29Å; H34-K71 VanDerWaalsContact CE1-CE 3.41Å; H34-K71 WeakPolarHBondContact CE1-CE 3.45Å; H34-K71 PolarHBondContact CE1-NZ 2.03Å; H34-K71 VanDerWaalsContact CE1-NZ 3.33Å; H34-K71 WeakPolarHBondContact ND1-CE 3.22Å; H34-K71 PolarHBondContact ND1-NZ 3.33Å; H34-K71 WeakPolarHBondContact NE2-CE 3.07Å; H34-R73 VanDerWaalsContact CD2-CG 3.43Å; H34-R73 WeakPolarHBondContact CD2-CG 3.49Å
35I91.7Very high91.2Very high97 Ų9767 Ų6750%0.49738%0.375SS..EExtended strand (participates in β ladder)trans-102.7130.5167.4-59.3172.1000107.5I72 P74I35-I72 HydrophobicContact CB-CB 4.27Å; I35-I72 PolarHBondContact N-O 2.98Å; I35-I72 PolarHBondContact O-N 2.87Å; I35-P74 HydrophobicContact CD1-CG 3.94Å; I35-P74 HydrophobicContact CG1-CG 4.28Å
36Y94.8Very high91.5Very high10 Ų1064.4 Ų64.44%0.03936%0.359CS..EExtended strand (participates in β ladder)trans-105.3136.8176.1-65.3-77.9000110.6V24 E31 H34 P38 S39 L70 K71 V82 M84V24-Y36 HydrophobicContact CB-CD2 4.33Å; V24-Y36 HydrophobicContact CB-CG 4.47Å; V24-Y36 HydrophobicContact CG1-CD1 4.37Å; V24-Y36 HydrophobicContact CG1-CD2 3.6Å; V24-Y36 HydrophobicContact CG1-CE2 4.09Å; V24-Y36 HydrophobicContact CG1-CG 3.76Å; E31-Y36 HydrophobicContact CB-CE2 4.18Å; E31-Y36 PolarHBondContact OE2-OH 3.21Å; H34-Y36 HydrophobicContact CB-CE2 4Å; Y36-P38 CarbonylContact C-O 3.55Å; Y36-P38 CarbonylContact O-C 3.58Å; Y36-P38 VanDerWaalsContact O-C 3.27Å; Y36-S39 WeakPolarHBondContact O-CA 3.14Å; Y36-S39 PolarHBondContact O-N 3.33Å; Y36-L70 CarbonylContact C-O 3.51Å; Y36-L70 WeakPolarHBondContact CA-O 3.37Å; Y36-K71 HydrophobicContact CD1-CB 4.3Å; Y36-K71 HydrophobicContact CD1-CG 4.47Å; Y36-K71 HydrophobicContact CE1-CB 4.09Å; Y36-K71 HydrophobicContact CE1-CD 4.08Å; Y36-K71 HydrophobicContact CE1-CG 3.93Å; Y36-V82 HydrophobicContact CE1-CG2 4.25Å; Y36-M84 HydrophobicContact CD1-CE 4.2Å; Y36-M84 HydrophobicContact CE1-CE 3.79Å; Y36-M84 HydrophobicContact CE1-SD 4.02Å; Y36-M84 HydrophobicContact CE2-CE 4.32Å
37S95.5Very high91.7Very high62 Ų6260 Ų6043%0.43434%0.344SS..EExtended strand (participates in β ladder)trans-122.5118.6172.1-175.30000110.2L70S37-L70 PolarHBondContact N-O 3.22Å; S37-L70 WeakPolarHBondContact O-CB 3Å; S37-L70 PolarHBondContact O-N 3.23Å
38P97.4Very high91.8Very high71 Ų7158.7 Ų58.746%0.46135%0.349SS..SBendcis-65.4157.4-6.231.4-37.7000112.7Y36 C40Y36-P38 CarbonylContact C-O 3.55Å; Y36-P38 CarbonylContact O-C 3.58Å; Y36-P38 VanDerWaalsContact O-C 3.27Å; P38-C40 VanDerWaalsContact C-N 3.32Å; P38-C40 WeakPolarHBondContact CB-O 3.39Å; P38-C40 WeakPolarHBondContact CG-O 3.31Å
39S96Very high91.9Very high84 Ų8458.5 Ų58.559%0.58736%0.356SS*.SBendtrans-80.3-13.5178.459.60000113.7V24 Y36V24-S39 WeakPolarHBondContact CG2-O 3.41Å; V24-S39 PolarHBondContact N-O 2.75Å; Y36-S39 WeakPolarHBondContact O-CA 3.14Å; Y36-S39 PolarHBondContact O-N 3.33Å
40C97.4Very high92.4Very high40 Ų4054.9 Ų54.927%0.2733%0.333SS..EExtended strand (participates in β ladder)trans-134.615317364.90000110.6L21 V22 P38L21-C40 HydrophobicContact CB-CB 4.47Å; V22-C40 CarbonylContact O-C 3.59Å; V22-C40 WeakPolarHBondContact O-CA 3.38Å; V22-C40 WeakPolarHBondContact O-CB 3.41Å; P38-C40 VanDerWaalsContact C-N 3.32Å; P38-C40 WeakPolarHBondContact CB-O 3.39Å; P38-C40 WeakPolarHBondContact CG-O 3.31Å
41V98.1Very high92.9Very high4 Ų452.1 Ų52.12%0.02433%0.327CS..EExtended strand (participates in β ladder)trans-125.9145.3-179.6-69.50000110.8L21 V22 V24 L43 M67 L69 F86L21-V41 WeakPolarHBondContact CA-O 3.35Å; V22-V41 PolarHBondContact N-O 3.11Å; V22-V41 PolarHBondContact O-N 3.1Å; V24-V41 HydrophobicContact CG2-CG1 4.16Å; V41-L43 HydrophobicContact CG2-CD1 3.94Å; V41-L43 HydrophobicContact CG2-CD2 4.47Å; V41-L43 HydrophobicContact CG2-CG 3.98Å; V41-L43 PolarHBondContact O-N 2.85Å; V41-M67 HydrophobicContact CB-SD 3.79Å; V41-M67 HydrophobicContact CG1-SD 3.99Å; V41-M67 HydrophobicContact CG2-SD 4.35Å; V41-L69 HydrophobicContact CG1-CD1 4.04Å; V41-L69 HydrophobicContact CG1-CD2 4.07Å; V41-L69 HydrophobicContact CG1-CG 4.39Å; V41-F86 HydrophobicContact CG1-CE2 4.3Å; V41-F86 HydrophobicContact CG1-CZ 4.21Å; V41-F86 HydrophobicContact CG2-CD1 3.95Å; V41-F86 HydrophobicContact CG2-CD2 4.34Å; V41-F86 HydrophobicContact CG2-CE1 3.76Å; V41-F86 HydrophobicContact CG2-CE2 4.17Å; V41-F86 HydrophobicContact CG2-CG 4.23Å; V41-F86 HydrophobicContact CG2-CZ 3.88Å
42P98.2Very high93.9Very high57 Ų5752.9 Ų52.937%0.3733%0.334SS..EExtended strand (participates in β ladder)trans-74.1121.4172.930.4-31.9000109.6E19 L21 M67E19-P42 HydrophobicContact CG-CB 3.98Å; L21-P42 HydrophobicContact CD2-CB 4.17Å; P42-M67 WeakPolarHBondContact O-CE 3.36Å
43L98.4Very high94.9Very high0 Ų055 Ų550%034%0.336CS..EExtended strand (participates in β ladder)trans-130.2141.6176.7-66.3172000110.8E19 K20 V22 V41 R45 V65 M67 F86 E88E19-L43 WeakPolarHBondContact CA-O 3.35Å; K20-L43 PolarHBondContact N-O 3.12Å; K20-L43 PolarHBondContact O-N 3.02Å; V22-L43 HydrophobicContact CB-CD1 4.03Å; V22-L43 HydrophobicContact CG2-CB 4.29Å; V22-L43 HydrophobicContact CG2-CD1 4.11Å; V41-L43 HydrophobicContact CG2-CD1 3.94Å; V41-L43 HydrophobicContact CG2-CD2 4.47Å; V41-L43 HydrophobicContact CG2-CG 3.98Å; V41-L43 PolarHBondContact O-N 2.85Å; L43-R45 HydrophobicContact CB-CG 4.24Å; L43-R45 VanDerWaalsContact CD1-NH2 3.28Å; L43-R45 PolarHBondContact O-N 2.83Å; L43-V65 HydrophobicContact CD2-CG1 3.74Å; L43-M67 HydrophobicContact CD2-CE 3.76Å; L43-M67 HydrophobicContact CD2-SD 4.46Å; L43-F86 HydrophobicContact CD1-CB 3.73Å; L43-F86 HydrophobicContact CD1-CD1 4Å; L43-F86 HydrophobicContact CD1-CG 4.08Å; L43-F86 HydrophobicContact CD2-CB 3.49Å; L43-F86 VanDerWaalsContact CD2-CB 3.49Å; L43-F86 HydrophobicContact CD2-CG 4.13Å; L43-F86 HydrophobicContact CG-CB 4.27Å; L43-E88 HydrophobicContact CD2-CG 3.88Å
44V98.5Very high95.6Very high44 Ų4453.2 Ų53.227%0.26733%0.331SS..EExtended strand (participates in β ladder)trans-73.2115.6168.5-177.80000109.4T17 E88 H89T17-V44 HydrophobicContact CG2-CG1 3.98Å; V44-E88 HydrophobicContact CB-CB 4.38Å; V44-E88 HydrophobicContact CB-CG 4.46Å; V44-E88 PolarHBondContact N-OE1 3.13Å; V44-E88 WeakPolarHBondContact O-CA 3.46Å; V44-H89 VanDerWaalsContact CG1-O 3.29Å; V44-H89 WeakPolarHBondContact CG1-O 2.93Å; V44-H89 PolarHBondContact O-N 2.03Å
45R98.4Very high96.1Very high33 Ų3353.8 Ų53.813%0.12534%0.335CS..EExtended strand (participates in β ladder)trans-129.5154.5180-64.5-68.1174.391.5-14.7111T17 M18 V22 E27 L43 A47 V87T17-R45 WeakPolarHBondContact CA-O 3.37Å; M18-R45 PolarHBondContact N-O 2.78Å; M18-R45 PolarHBondContact O-N 2.93Å; V22-R45 HydrophobicContact CG2-CG 4.34Å; E27-R45 IonicContact OE1-CZ 3.97Å; E27-R45 IonicContact OE1-NH1 2.63Å; E27-R45 PolarHBondContact OE1-NH1 2.91Å; E27-R45 IonicContact OE1-NH2 2.78Å; E27-R45 PolarHBondContact OE1-NH2 2.66Å; E27-R45 IonicContact OE2-CZ 2.78Å; E27-R45 IonicContact OE2-NH1 3.15Å; E27-R45 IonicContact OE2-NH2 3.46Å; E27-R45 PolarHBondContact OE2-NH2 3.25Å; L43-R45 HydrophobicContact CB-CG 4.24Å; L43-R45 VanDerWaalsContact CD1-NH2 3.28Å; L43-R45 PolarHBondContact O-N 2.83Å; R45-A47 PolarHBondContact O-N 2.9Å; R45-V87 PolarHBondContact NE-O 3.47Å; R45-V87 PolarHBondContact NH2-O 2.96Å
46C98.3Very high96.3Very high20 Ų2053.4 Ų53.414%0.13533%0.331CS..EExtended strand (participates in β ladder)trans-71.3127.1171.9-67.80000109R16 P59 H89 C92R16-C46 WeakPolarHBondContact O-CA 3.39Å; C46-P59 VanDerWaalsContact SG-CA 3.51Å; C46-H89 WeakPolarHBondContact CB-ND1 3.45Å; C46-H89 PolarHBondContact N-ND1 3.05Å; C46-H89 PolarHBondContact SG-ND1 3.01Å; C46-C92 WeakPolarHBondContact CA-SG 3.48Å; C46-C92 HydrophobicContact CB-CB 3.85Å; C46-C92 WeakPolarHBondContact CB-SG 3.06Å; C46-C92 VanDerWaalsContact SG-CA 3.58Å; C46-C92 WeakPolarHBondContact SG-CB 3.23Å; C46-C92 CovalentContact SG-SG 2.03Å; C46-C92 PolarHBondContact SG-SG 3.12Å
47A97.3Very high96.4Very high31 Ų3154 Ų5426%0.25634%0.336SS..EExtended strand (participates in β ladder)trans-152.1164.9178.800000110C15 R16 M18 R45C15-A47 WeakPolarHBondContact CA-O 3.43Å; R16-A47 PolarHBondContact N-O 2.85Å; R16-A47 PolarHBondContact O-N 2.63Å; R16-A47 VanDerWaalsContact O-O 3.04Å; M18-A47 VanDerWaalsContact CE-C 3.45Å; M18-A47 HydrophobicContact CE-CB 3.31Å; R45-A47 PolarHBondContact O-N 2.9Å
48G96.4Very high96.5Very high40 Ų4054 Ų5441%0.41233%0.329SS..SBendtrans113177.2-175.400000112.7S13S13-G48 CarbonylContact O-C 3.44Å; S13-G48 WeakPolarHBondContact O-CA 3.49Å
49C95.9Very high96.6Very high61 Ų6152.5 Ų52.541%0.41232%0.319SS..BIsolated β-bridgetrans-103.5157178.761.60000111.3S13 F14 C15S13-C49 PolarHBondContact O-N 2.8Å; S13-C49 PolarHBondContact O-SG 2.89Å; F14-C49 WeakPolarHBondContact CA-O 3.02Å; C15-C49 PolarHBondContact N-O 3.35Å
50C96.9Very high96.7Very high16 Ų1651.4 Ų51.411%0.10831%0.309CS..  trans-104.36-178-74.40000113.5D52 L55 C94C50-D52 PolarHBondContact O-N 3.36Å; C50-L55 HydrophobicContact CB-CB 3.48Å; C50-L55 VanDerWaalsContact CB-CB 3.48Å; C50-L55 HydrophobicContact CB-CD1 4.17Å; C50-L55 HydrophobicContact CB-CG 4.47Å; C50-C94 WeakPolarHBondContact CA-SG 3.34Å; C50-C94 HydrophobicContact CB-CB 3.67Å; C50-C94 WeakPolarHBondContact CB-SG 3.21Å; C50-C94 VanDerWaalsContact SG-CA 3.54Å; C50-C94 WeakPolarHBondContact SG-CB 3.32Å; C50-C94 CovalentContact SG-SG 2.03Å; C50-C94 PolarHBondContact SG-SG 2.91Å
51G93Very high96.7Very high58 Ų5854.1 Ų54.160%0.59832%0.318SS*.SBendtrans73.1-16-175.500000115.4
52D94Very high96.7Very high78 Ų7857.3 Ų57.342%0.41734%0.337SS..SBendtrans-125.5131.7175.8-171.6-42.4000109.8C50 N54 L55C50-D52 PolarHBondContact O-N 3.36Å; D52-N54 PolarHBondContact O-N 2.91Å; D52-N54 WeakPolarHBondContact OD1-CA 3.43Å; D52-N54 VanDerWaalsContact OD1-CB 3.23Å; D52-N54 WeakPolarHBondContact OD1-CB 3.16Å; D52-N54 PolarHBondContact OD1-N 2.9Å; D52-N54 PolarHBondContact OD1-ND2 3.03Å; D52-L55 HydrophobicContact CB-CB 4.39Å; D52-L55 HydrophobicContact CB-CD1 3.9Å; D52-L55 HydrophobicContact CB-CG 3.91Å; D52-L55 PolarHBondContact O-N 2.82Å
53E91.6Very high96.8Very high169 Ų16956.3 Ų56.379%0.7933%0.332SS*.THydrogen-bonded Turntrans-68-18.9-178.6-60.6-170.9150.900113.6L55 R97E53-L55 VanDerWaalsContact C-N 3.28Å; E53-R97 VanDerWaalsContact O-CD 3.3Å; E53-R97 WeakPolarHBondContact O-CD 3.35Å; E53-R97 PolarHBondContact O-NE 3.37Å; E53-R97 VanDerWaalsContact O-NE 3.13Å; E53-R97 PolarHBondContact O-NH1 3.49Å; E53-R97 VanDerWaalsContact O-NH1 3.15Å
54N93.7Very high96.8Very high109 Ų10961.8 Ų61.858%0.58336%0.361SS*.THydrogen-bonded Turntrans-83.1-7.1174.3-55.3-67000112.4D52 R97D52-N54 PolarHBondContact O-N 2.91Å; D52-N54 WeakPolarHBondContact OD1-CA 3.43Å; D52-N54 VanDerWaalsContact OD1-CB 3.23Å; D52-N54 WeakPolarHBondContact OD1-CB 3.16Å; D52-N54 PolarHBondContact OD1-N 2.9Å; D52-N54 PolarHBondContact OD1-ND2 3.03Å; N54-R97 WeakPolarHBondContact O-CB 3.34Å; N54-R97 WeakPolarHBondContact O-CG 3.42Å; N54-R97 PolarHBondContact O-N 2.9Å
55L96.3Very high96.7Very high46 Ų4661.5 Ų61.524%0.24136%0.36CS..EExtended strand (participates in β ladder)trans-101.9156.1176.4-60.5180000111.4C50 D52 E53 C94 R95 V96 R97C50-L55 HydrophobicContact CB-CB 3.48Å; C50-L55 VanDerWaalsContact CB-CB 3.48Å; C50-L55 HydrophobicContact CB-CD1 4.17Å; C50-L55 HydrophobicContact CB-CG 4.47Å; D52-L55 HydrophobicContact CB-CB 4.39Å; D52-L55 HydrophobicContact CB-CD1 3.9Å; D52-L55 HydrophobicContact CB-CG 3.91Å; D52-L55 PolarHBondContact O-N 2.82Å; E53-L55 VanDerWaalsContact C-N 3.28Å; L55-C94 HydrophobicContact CB-CB 4.36Å; L55-C94 HydrophobicContact CD1-CB 4.12Å; L55-R95 CarbonylContact C-O 3.51Å; L55-R95 VanDerWaalsContact CA-O 3.31Å; L55-R95 WeakPolarHBondContact CA-O 3.31Å; L55-V96 HydrophobicContact CD2-CB 4.48Å; L55-V96 HydrophobicContact CD2-CG2 3.9Å; L55-R97 PolarHBondContact O-NE 3.41Å
56E96.4Very high96.7Very high89 Ų8963.6 Ų63.642%0.41638%0.376SS..EExtended strand (participates in β ladder)trans-139.9143.5175.2-173.2177.6-160.300109.7H58 C94 R95 R97E56-H58 VanDerWaalsContact CG-NE2 3.35Å; E56-H58 WeakPolarHBondContact CG-NE2 3.29Å; E56-H58 PolarHBondContact O-CD2 3.46Å; E56-H58 PolarHBondContact O-N 3.4Å; E56-H58 IonicContact OE2-CD2 3.85Å; E56-H58 IonicContact OE2-CE1 2.66Å; E56-H58 PolarHBondContact OE2-CE1 2.78Å; E56-H58 IonicContact OE2-NE2 3.04Å; E56-H58 PolarHBondContact OE2-NE2 3.09Å; E56-C94 WeakPolarHBondContact O-CA 3.45Å; E56-R95 PolarHBondContact N-O 3.05Å; E56-R95 PolarHBondContact O-N 2.78Å; E56-R97 HydrophobicContact CB-CG 3.8Å
57C97.8Very high96.7Very high23 Ų2364.6 Ų64.616%0.15538%0.379CS..EExtended strand (participates in β ladder)trans-82.2114.5-178.7-173.90000109.7C15C15-C57 WeakPolarHBondContact CA-SG 3.48Å; C15-C57 HydrophobicContact CB-CB 3.73Å; C15-C57 WeakPolarHBondContact CB-SG 3.33Å; C15-C57 VanDerWaalsContact SG-CA 3.51Å; C15-C57 WeakPolarHBondContact SG-CB 3.34Å; C15-C57 CovalentContact SG-SG 2.03Å; C15-C57 PolarHBondContact SG-SG 2.84Å
58H97.6Very high96.8Very high61 Ų6169.2 Ų69.228%0.28240%0.395SS..EExtended strand (participates in β ladder)trans-123.4148.1-176-77.8-78.5000111.4E56 C92 E93E56-H58 VanDerWaalsContact CG-NE2 3.35Å; E56-H58 WeakPolarHBondContact CG-NE2 3.29Å; E56-H58 PolarHBondContact O-CD2 3.46Å; E56-H58 PolarHBondContact O-N 3.4Å; E56-H58 IonicContact OE2-CD2 3.85Å; E56-H58 IonicContact OE2-CE1 2.66Å; E56-H58 PolarHBondContact OE2-CE1 2.78Å; E56-H58 IonicContact OE2-NE2 3.04Å; E56-H58 PolarHBondContact OE2-NE2 3.09Å; H58-C92 CarbonylContact O-C 3.52Å; H58-C92 WeakPolarHBondContact O-CA 3.46Å; H58-E93 PolarHBondContact N-O 3.47Å; H58-E93 PolarHBondContact O-N 2.85Å
59P98.1Very high96.8Very high40 Ų4067.4 Ų67.426%0.2638%0.376SS..EExtended strand (participates in β ladder)trans-67144.4171.827.7-32.9000112C46 T62 H89 T91C46-P59 VanDerWaalsContact SG-CA 3.51Å; P59-T62 HydrophobicContact CB-CG2 4.04Å; P59-H89 HydrophobicContact CB-CB 4.07Å; P59-T91 WeakPolarHBondContact CA-O 3.47Å
60T97.8Very high96.9Very high61 Ų6165.5 Ų65.537%0.37436%0.362SS..EExtended strand (participates in β ladder)trans-107.8-34170.953.80000112.4T91 E93T60-T91 PolarHBondContact N-O 3.28Å; T60-T91 VanDerWaalsContact OG1-CB 3.29Å; T60-T91 WeakPolarHBondContact OG1-CB 3.47Å; T60-T91 PolarHBondContact OG1-O 2.93Å; T60-T91 PolarHBondContact OG1-OG1 2.95Å; T60-E93 HydrophobicContact CG2-CB 3.72Å; T60-E93 HydrophobicContact CG2-CG 3.3Å; T60-E93 WeakPolarHBondContact CG2-OE1 3.46Å; T60-E93 WeakPolarHBondContact CG2-OE2 3.4Å
61E98.4Very high96.7Very high97 Ų9766.1 Ų66.145%0.45336%0.363SS..EExtended strand (participates in β ladder)trans-131.8142.3172.7-169-172.816300109.7K90 T91E61-K90 HydrophobicContact CB-CB 4.27Å; E61-K90 HydrophobicContact CG-CB 4.43Å; E61-K90 HydrophobicContact CG-CD 4.2Å; E61-K90 PolarHBondContact O-N 2.92Å; E61-K90 WeakPolarHBondContact OE1-CD 3.02Å; E61-K90 IonicContact OE1-NZ 3.24Å; E61-K90 PolarHBondContact OE1-NZ 2.86Å; E61-T91 VanDerWaalsContact CB-OG1 3.29Å; E61-T91 WeakPolarHBondContact CB-OG1 3.45Å; E61-T91 PolarHBondContact N-OG1 3.44Å
62T98.6Very high96.7Very high70 Ų7065.8 Ų65.843%0.42935%0.347SS..EExtended strand (participates in β ladder)trans-128.5160.9177.658.40000111.8P59 V87 E88P59-T62 HydrophobicContact CB-CG2 4.04Å; T62-V87 HydrophobicContact CG2-CG1 3.89Å; T62-E88 CarbonylContact C-O 3.27Å; T62-E88 WeakPolarHBondContact CA-O 3.46Å; T62-E88 VanDerWaalsContact CB-O 3.24Å; T62-E88 WeakPolarHBondContact CB-O 3.43Å
63S98.4Very high96.6Very high36 Ų3665.9 Ų65.925%0.25234%0.341SS..EExtended strand (participates in β ladder)trans-136.8161.8167.835.80000110.5E88 K90S63-E88 PolarHBondContact N-O 2.77Å; S63-E88 PolarHBondContact O-N 3.15Å; S63-K90 WeakPolarHBondContact OG-CE 3.04Å
64N98.6Very high96.4Very high116 Ų11662.3 Ų62.362%0.6233%0.333SS*.EExtended strand (participates in β ladder)trans-95.5141.7170.6-68.9-14.6000109.8T85 F86N64-T85 HydrophobicContact CB-CG2 3.64Å; N64-F86 CarbonylContact C-O 3.58Å; N64-F86 VanDerWaalsContact CA-O 3.31Å; N64-F86 WeakPolarHBondContact CA-O 3.31Å
65V98.3Very high96.1Very high38 Ų3862 Ų6223%0.2334%0.339CS..EExtended strand (participates in β ladder)trans-125.3135.8168.863.90000108.3L43 M67 T85 F86 E88L43-V65 HydrophobicContact CD2-CG1 3.74Å; V65-M67 HydrophobicContact CG1-CE 3.75Å; V65-M67 HydrophobicContact CG2-CE 4.07Å; V65-M67 HydrophobicContact CG2-CG 4.45Å; V65-T85 CarbonylContact O-C 3.53Å; V65-T85 WeakPolarHBondContact O-CA 3.45Å; V65-F86 HydrophobicContact CG1-CB 4.1Å; V65-F86 PolarHBondContact N-O 3.03Å; V65-F86 PolarHBondContact O-N 2.83Å; V65-E88 HydrophobicContact CB-CG 4.41Å; V65-E88 HydrophobicContact CG1-CG 3.7Å
66T98.4Very high95.6Very high77 Ų7764.7 Ų64.747%0.47235%0.35SS..EExtended strand (participates in β ladder)trans-104.5129.2177.5-55.20000108.8E83 M84 T85T66-E83 HydrophobicContact CG2-CB 3.79Å; T66-E83 HydrophobicContact CG2-CG 4.39Å; T66-M84 CarbonylContact C-O 3.38Å; T66-M84 WeakPolarHBondContact CA-O 3.44Å; T66-T85 PolarHBondContact OG1-OG1 3.07Å; T66-T85 VanDerWaalsContact OG1-OG1 3.1Å
67M98.3Very high94.9Very high40 Ų4067.2 Ų67.220%0.19738%0.375CS..EExtended strand (participates in β ladder)trans-124.7144.8-179-63.7175.3179.200109.6V41 P42 L43 V65 L69 M84 F86V41-M67 HydrophobicContact CB-SD 3.79Å; V41-M67 HydrophobicContact CG1-SD 3.99Å; V41-M67 HydrophobicContact CG2-SD 4.35Å; P42-M67 WeakPolarHBondContact O-CE 3.36Å; L43-M67 HydrophobicContact CD2-CE 3.76Å; L43-M67 HydrophobicContact CD2-SD 4.46Å; V65-M67 HydrophobicContact CG1-CE 3.75Å; V65-M67 HydrophobicContact CG2-CE 4.07Å; V65-M67 HydrophobicContact CG2-CG 4.45Å; M67-L69 HydrophobicContact CB-CD1 3.78Å; M67-M84 PolarHBondContact N-O 2.87Å; M67-M84 PolarHBondContact O-N 3.32Å; M67-F86 HydrophobicContact CB-CD2 4.34Å; M67-F86 HydrophobicContact CB-CE2 4.15Å; M67-F86 HydrophobicContact CG-CD2 4.33Å; M67-F86 HydrophobicContact SD-CD2 4.08Å; M67-F86 HydrophobicContact SD-CE2 4.34Å
68Q98.1Very high94.3Very high128 Ų12868.8 Ų68.860%0.59840%0.395SS*.EExtended strand (participates in β ladder)trans-89124174.5-172.8176.86700109.7Y81 V82Q68-Y81 HydrophobicContact CG-CD1 3.83Å; Q68-Y81 HydrophobicContact CG-CG 4.32Å; Q68-V82 WeakPolarHBondContact CA-O 3.33Å
69L97.3Very high93.9Very high3 Ų372.2 Ų72.22%0.01641%0.411CS..EExtended strand (participates in β ladder)trans-123.8159.9175.5-77.470.7000109.3V24 V41 M67 Y81 V82 M84 F86V24-L69 HydrophobicContact CB-CD2 4.47Å; V24-L69 HydrophobicContact CG1-CD2 4.16Å; V24-L69 HydrophobicContact CG2-CD2 3.5Å; V24-L69 VanDerWaalsContact CG2-CD2 3.5Å; V41-L69 HydrophobicContact CG1-CD1 4.04Å; V41-L69 HydrophobicContact CG1-CD2 4.07Å; V41-L69 HydrophobicContact CG1-CG 4.39Å; M67-L69 HydrophobicContact CB-CD1 3.78Å; L69-Y81 CarbonylContact O-C 3.42Å; L69-Y81 WeakPolarHBondContact O-CA 3.5Å; L69-V82 HydrophobicContact CB-CG2 4.39Å; L69-V82 PolarHBondContact N-O 2.9Å; L69-V82 PolarHBondContact O-N 2.91Å; L69-M84 HydrophobicContact CD1-CB 4.45Å; L69-F86 HydrophobicContact CD1-CE2 4.14Å; L69-F86 HydrophobicContact CD1-CZ 4.46Å; L69-F86 HydrophobicContact CD2-CZ 4.38Å
70L96.4Very high93.7Very high21 Ų2174.2 Ų74.211%0.1142%0.416CS..EExtended strand (participates in β ladder)trans-90.9126169.3-169.370.7000109.2Y36 S37 I72 E79 Y81Y36-L70 CarbonylContact C-O 3.51Å; Y36-L70 WeakPolarHBondContact CA-O 3.37Å; S37-L70 PolarHBondContact N-O 3.22Å; S37-L70 WeakPolarHBondContact O-CB 3Å; S37-L70 PolarHBondContact O-N 3.23Å; L70-I72 HydrophobicContact CD2-CD1 4.13Å; L70-I72 HydrophobicContact CD2-CG1 4.22Å; L70-I72 HydrophobicContact CG-CG1 4.25Å; L70-E79 HydrophobicContact CD1-CB 3.64Å; L70-E79 HydrophobicContact CD1-CG 3.76Å; L70-E79 HydrophobicContact CD2-CB 3.97Å; L70-E79 VanDerWaalsContact CD2-CD 3.49Å; L70-E79 HydrophobicContact CD2-CG 4.16Å; L70-E79 WeakPolarHBondContact CD2-OE2 3.49Å; L70-E79 HydrophobicContact CG-CB 3.82Å; L70-E79 HydrophobicContact CG-CG 4.29Å; L70-Y81 HydrophobicContact CD1-CD1 4.25Å; L70-Y81 HydrophobicContact CD1-CE1 4.21Å
71K94.3Very high93.6Very high28 Ų2879 Ų7912%0.12243%0.429CS..EExtended strand (participates in β ladder)trans-103.6124.3175.4-177173.9-176.61680109.1E31 H34 Y36 E80 V82E31-K71 IonicContact OE2-NZ 3.28Å; E31-K71 PolarHBondContact OE2-NZ 2.88Å; H34-K71 HydrophobicContact CB-CG 4.28Å; H34-K71 WeakPolarHBondContact CD2-CE 3.29Å; H34-K71 VanDerWaalsContact CE1-CE 3.41Å; H34-K71 WeakPolarHBondContact CE1-CE 3.45Å; H34-K71 PolarHBondContact CE1-NZ 2.03Å; H34-K71 VanDerWaalsContact CE1-NZ 3.33Å; H34-K71 WeakPolarHBondContact ND1-CE 3.22Å; H34-K71 PolarHBondContact ND1-NZ 3.33Å; H34-K71 WeakPolarHBondContact NE2-CE 3.07Å; Y36-K71 HydrophobicContact CD1-CB 4.3Å; Y36-K71 HydrophobicContact CD1-CG 4.47Å; Y36-K71 HydrophobicContact CE1-CB 4.09Å; Y36-K71 HydrophobicContact CE1-CD 4.08Å; Y36-K71 HydrophobicContact CE1-CG 3.93Å; K71-E80 HydrophobicContact CB-CG 3.95Å; K71-E80 PolarHBondContact N-O 3.29Å; K71-E80 PolarHBondContact O-N 2.63Å; K71-V82 HydrophobicContact CB-CB 4.49Å; K71-V82 HydrophobicContact CB-CG1 3.76Å; K71-V82 HydrophobicContact CB-CG2 3.85Å; K71-V82 HydrophobicContact CD-CG1 3.91Å; K71-V82 HydrophobicContact CG-CG1 4.5Å
72I92.9Very high93.5Very high51 Ų5175.7 Ų75.726%0.26242%0.415SS..EExtended strand (participates in β ladder)trans-119124.6-176.8-57.1164.7000107.8I35 L70 E79I35-I72 HydrophobicContact CB-CB 4.27Å; I35-I72 PolarHBondContact N-O 2.98Å; I35-I72 PolarHBondContact O-N 2.87Å; L70-I72 HydrophobicContact CD2-CD1 4.13Å; L70-I72 HydrophobicContact CD2-CG1 4.22Å; L70-I72 HydrophobicContact CG-CG1 4.25Å; I72-E79 HydrophobicContact CG1-CB 4.11Å
73R90.7Very high93.4Very high80 Ų8079.8 Ų79.830%0.30243%0.43SS..  trans-100.5112.8174.9-74.5172.7-162.1-178.29.6108.9H34 S75 E76 E80H34-R73 VanDerWaalsContact CD2-CG 3.43Å; H34-R73 WeakPolarHBondContact CD2-CG 3.49Å; R73-S75 PolarHBondContact O-N 2.89Å; R73-S75 VanDerWaalsContact O-N 3.11Å; R73-E76 HydrophobicContact CB-CB 4.11Å; R73-E76 WeakPolarHBondContact CD-OE2 3.43Å; R73-E76 IonicContact CZ-OE2 3.83Å; R73-E76 IonicContact NE-OE2 2.91Å; R73-E76 IonicContact NH1-OE2 3.01Å; R73-E76 PolarHBondContact NH1-OE2 2.9Å; R73-E76 PolarHBondContact O-N 2.9Å; R73-E76 VanDerWaalsContact O-N 3.1Å; R73-E80 IonicContact CZ-OE1 3.69Å; R73-E80 IonicContact NE-OE1 2.84Å; R73-E80 IonicContact NH2-OE1 2.91Å; R73-E80 PolarHBondContact NH2-OE1 3.49Å
74P87.6Confident93.3Very high95 Ų9578.9 Ų78.962%0.61742%0.422SS*.THydrogen-bonded Turntrans-60.8-25.4-178.2-24.935.1000114.1E33 I35E33-P74 WeakPolarHBondContact O-CD 3.24Å; I35-P74 HydrophobicContact CD1-CG 3.94Å; I35-P74 HydrophobicContact CG1-CG 4.28Å
75S87.6Confident93.3Very high101 Ų10176.1 Ų76.171%0.70641%0.409SS*.THydrogen-bonded Turntrans-79.8-18.3179.247.80000114.3R73R73-S75 PolarHBondContact O-N 2.89Å; R73-S75 VanDerWaalsContact O-N 3.11Å
76E85.8Confident93.3Very high104 Ų10474.3 Ų74.349%0.48640%0.398SS..SBendtrans-125.4132.5-173.2-66.2178.2167.600110.1R73 G78R73-E76 HydrophobicContact CB-CB 4.11Å; R73-E76 WeakPolarHBondContact CD-OE2 3.43Å; R73-E76 IonicContact CZ-OE2 3.83Å; R73-E76 IonicContact NE-OE2 2.91Å; R73-E76 IonicContact NH1-OE2 3.01Å; R73-E76 PolarHBondContact NH1-OE2 2.9Å; R73-E76 PolarHBondContact O-N 2.9Å; R73-E76 VanDerWaalsContact O-N 3.1Å; E76-G78 PolarHBondContact O-N 2.03Å; E76-G78 VanDerWaalsContact O-N 3.11Å
77P82.5Confident93.3Very high142 Ų14273.2 Ų73.292%0.92239%0.391SS*.SBendtrans-69.5110.8173.725.7-29.6000109.9
78G83.6Confident93.3Very high56 Ų5673.2 Ų73.258%0.57739%0.39SS*.  trans152.9164174.700000113.5E76E76-G78 PolarHBondContact O-N 2.03Å; E76-G78 VanDerWaalsContact O-N 3.11Å
79E90.2Very high93.4Very high132 Ų13268.7 Ų68.762%0.61737%0.369SS*.EExtended strand (participates in β ladder)trans-134.9137.8172.761.4-176.4-140.300108.4L70 I72L70-E79 HydrophobicContact CD1-CB 3.64Å; L70-E79 HydrophobicContact CD1-CG 3.76Å; L70-E79 HydrophobicContact CD2-CB 3.97Å; L70-E79 VanDerWaalsContact CD2-CD 3.49Å; L70-E79 HydrophobicContact CD2-CG 4.16Å; L70-E79 WeakPolarHBondContact CD2-OE2 3.49Å; L70-E79 HydrophobicContact CG-CB 3.82Å; L70-E79 HydrophobicContact CG-CG 4.29Å; I72-E79 HydrophobicContact CG1-CB 4.11Å
80E93.4Very high93.4Very high82 Ų8273.4 Ų73.438%0.38339%0.389SS..EExtended strand (participates in β ladder)trans-124.1137.7-17964.3179.816500110.7K71 R73 V82K71-E80 HydrophobicContact CB-CG 3.95Å; K71-E80 PolarHBondContact N-O 3.29Å; K71-E80 PolarHBondContact O-N 2.63Å; R73-E80 IonicContact CZ-OE1 3.69Å; R73-E80 IonicContact NE-OE1 2.84Å; R73-E80 IonicContact NH2-OE1 2.91Å; R73-E80 PolarHBondContact NH2-OE1 3.49Å; E80-V82 HydrophobicContact CG-CG1 3.92Å
81Y96.7Very high93.5Very high163 Ų16375.2 Ų75.264%0.63940%0.402SS*.EExtended strand (participates in β ladder)trans-74.8126.9169.2-72-72.7000109.4Q68 L69 L70Q68-Y81 HydrophobicContact CG-CD1 3.83Å; Q68-Y81 HydrophobicContact CG-CG 4.32Å; L69-Y81 CarbonylContact O-C 3.42Å; L69-Y81 WeakPolarHBondContact O-CA 3.5Å; L70-Y81 HydrophobicContact CD1-CD1 4.25Å; L70-Y81 HydrophobicContact CD1-CE1 4.21Å
82V95.4Very high93.7Very high27 Ų2775.3 Ų75.316%0.16441%0.406CS..EExtended strand (participates in β ladder)trans-122.8142.6178.1-62.30000110.5Y36 Q68 L69 K71 E80 M84Y36-V82 HydrophobicContact CE1-CG2 4.25Å; Q68-V82 WeakPolarHBondContact CA-O 3.33Å; L69-V82 HydrophobicContact CB-CG2 4.39Å; L69-V82 PolarHBondContact N-O 2.9Å; L69-V82 PolarHBondContact O-N 2.91Å; K71-V82 HydrophobicContact CB-CB 4.49Å; K71-V82 HydrophobicContact CB-CG1 3.76Å; K71-V82 HydrophobicContact CB-CG2 3.85Å; K71-V82 HydrophobicContact CD-CG1 3.91Å; K71-V82 HydrophobicContact CG-CG1 4.5Å; E80-V82 HydrophobicContact CG-CG1 3.92Å; V82-M84 HydrophobicContact CG2-CG 3.84Å
83E97.8Very high93.9Very high156 Ų15676.8 Ų76.873%0.72941%0.411SS*.EExtended strand (participates in β ladder)trans-91.1118.2170.6-69.3-177.6170.500109.1T66T66-E83 HydrophobicContact CG2-CB 3.79Å; T66-E83 HydrophobicContact CG2-CG 4.39Å
84M96.4Very high94.3Very high17 Ų1774.9 Ų74.98%0.08441%0.41CS..EExtended strand (participates in β ladder)trans-117.5136.7-177.9-66.5-97.9-73.600108.7V24 Y28 Y36 T66 M67 L69 V82 F86V24-M84 HydrophobicContact CG1-CE 3.32Å; Y28-M84 HydrophobicContact CD2-CE 3.63Å; Y28-M84 HydrophobicContact CE2-CE 3.83Å; Y28-M84 HydrophobicContact CG-CE 4.03Å; Y36-M84 HydrophobicContact CD1-CE 4.2Å; Y36-M84 HydrophobicContact CE1-CE 3.79Å; Y36-M84 HydrophobicContact CE1-SD 4.02Å; Y36-M84 HydrophobicContact CE2-CE 4.32Å; T66-M84 CarbonylContact C-O 3.38Å; T66-M84 WeakPolarHBondContact CA-O 3.44Å; M67-M84 PolarHBondContact N-O 2.87Å; M67-M84 PolarHBondContact O-N 3.32Å; L69-M84 HydrophobicContact CD1-CB 4.45Å; V82-M84 HydrophobicContact CG2-CG 3.84Å; M84-F86 HydrophobicContact CB-CE2 3.61Å; M84-F86 HydrophobicContact CB-CZ 3.85Å; M84-F86 HydrophobicContact CE-CZ 4.29Å
85T98.1Very high94.7Very high57 Ų5775.9 Ų75.935%0.3540%0.401SS..EExtended strand (participates in β ladder)trans-107.3122.5-174.9-60.70000111.2Y28 N64 V65 T66Y28-T85 PolarHBondContact OH-N 2.9Å; Y28-T85 PolarHBondContact OH-O 3.46Å; N64-T85 HydrophobicContact CB-CG2 3.64Å; V65-T85 CarbonylContact O-C 3.53Å; V65-T85 WeakPolarHBondContact O-CA 3.45Å; T66-T85 PolarHBondContact OG1-OG1 3.07Å; T66-T85 VanDerWaalsContact OG1-OG1 3.1Å
86F98.4Very high95.1Very high1 Ų176.5 Ų76.50%0.00440%0.4CS..EExtended strand (participates in β ladder)trans-113153.7-177.7-60-88000110.7V24 E27 Y28 V41 L43 N64 V65 M67 L69 M84V24-F86 HydrophobicContact CG1-CE1 4.46Å; V24-F86 HydrophobicContact CG1-CZ 4.34Å; V24-F86 HydrophobicContact CG2-CE1 4.48Å; V24-F86 HydrophobicContact CG2-CZ 4.27Å; E27-F86 HydrophobicContact CB-CD1 4.26Å; E27-F86 HydrophobicContact CB-CE1 4.32Å; E27-F86 HydrophobicContact CG-CD1 4.16Å; E27-F86 HydrophobicContact CG-CE1 4.46Å; Y28-F86 HydrophobicContact CD2-CE1 4.15Å; Y28-F86 HydrophobicContact CE2-CD1 4.08Å; Y28-F86 AromaticContact CE2-CE1 3.74Å; Y28-F86 HydrophobicContact CE2-CE1 3.74Å; Y28-F86 HydrophobicContact CE2-CZ 4.23Å; V41-F86 HydrophobicContact CG1-CE2 4.3Å; V41-F86 HydrophobicContact CG1-CZ 4.21Å; V41-F86 HydrophobicContact CG2-CD1 3.95Å; V41-F86 HydrophobicContact CG2-CD2 4.34Å; V41-F86 HydrophobicContact CG2-CE1 3.76Å; V41-F86 HydrophobicContact CG2-CE2 4.17Å; V41-F86 HydrophobicContact CG2-CG 4.23Å; V41-F86 HydrophobicContact CG2-CZ 3.88Å; L43-F86 HydrophobicContact CD1-CB 3.73Å; L43-F86 HydrophobicContact CD1-CD1 4Å; L43-F86 HydrophobicContact CD1-CG 4.08Å; L43-F86 HydrophobicContact CD2-CB 3.49Å; L43-F86 VanDerWaalsContact CD2-CB 3.49Å; L43-F86 HydrophobicContact CD2-CG 4.13Å; L43-F86 HydrophobicContact CG-CB 4.27Å; N64-F86 CarbonylContact C-O 3.58Å; N64-F86 VanDerWaalsContact CA-O 3.31Å; N64-F86 WeakPolarHBondContact CA-O 3.31Å; V65-F86 HydrophobicContact CG1-CB 4.1Å; V65-F86 PolarHBondContact N-O 3.03Å; V65-F86 PolarHBondContact O-N 2.83Å; M67-F86 HydrophobicContact CB-CD2 4.34Å; M67-F86 HydrophobicContact CB-CE2 4.15Å; M67-F86 HydrophobicContact CG-CD2 4.33Å; M67-F86 HydrophobicContact SD-CD2 4.08Å; M67-F86 HydrophobicContact SD-CE2 4.34Å; L69-F86 HydrophobicContact CD1-CE2 4.14Å; L69-F86 HydrophobicContact CD1-CZ 4.46Å; L69-F86 HydrophobicContact CD2-CZ 4.38Å; M84-F86 HydrophobicContact CB-CE2 3.61Å; M84-F86 HydrophobicContact CB-CZ 3.85Å; M84-F86 HydrophobicContact CE-CZ 4.29Å
87V98.4Very high95.3Very high53 Ų5377.9 Ų77.932%0.32140%0.401SS..EExtended strand (participates in β ladder)trans-90.1127.2173.9-179.30000109.7R45 T62R45-V87 PolarHBondContact NE-O 3.47Å; R45-V87 PolarHBondContact NH2-O 2.96Å; T62-V87 HydrophobicContact CG2-CG1 3.89Å
88E98.6Very high95.2Very high41 Ų4180 Ų8019%0.19240%0.396CS..EExtended strand (participates in β ladder)trans-108.3151.4167.6-67.6-160.712700111.1L43 V44 T62 S63 V65L43-E88 HydrophobicContact CD2-CG 3.88Å; V44-E88 HydrophobicContact CB-CB 4.38Å; V44-E88 HydrophobicContact CB-CG 4.46Å; V44-E88 PolarHBondContact N-OE1 3.13Å; V44-E88 WeakPolarHBondContact O-CA 3.46Å; T62-E88 CarbonylContact C-O 3.27Å; T62-E88 WeakPolarHBondContact CA-O 3.46Å; T62-E88 VanDerWaalsContact CB-O 3.24Å; T62-E88 WeakPolarHBondContact CB-O 3.43Å; S63-E88 PolarHBondContact N-O 2.77Å; S63-E88 PolarHBondContact O-N 3.15Å; V65-E88 HydrophobicContact CB-CG 4.41Å; V65-E88 HydrophobicContact CG1-CG 3.7Å
89H98.6Very high94.7Very high33 Ų3382.2 Ų82.215%0.15340%0.4CS..EExtended strand (participates in β ladder)trans-99129.7176.8-56.1-179000108.9T17 V44 C46 P59T17-H89 HydrophobicContact CG2-CB 4.44Å; T17-H89 VanDerWaalsContact CG2-O 3.22Å; T17-H89 WeakPolarHBondContact CG2-O 3.3Å; V44-H89 VanDerWaalsContact CG1-O 3.29Å; V44-H89 WeakPolarHBondContact CG1-O 2.93Å; V44-H89 PolarHBondContact O-N 2.03Å; C46-H89 WeakPolarHBondContact CB-ND1 3.45Å; C46-H89 PolarHBondContact N-ND1 3.05Å; C46-H89 PolarHBondContact SG-ND1 3.01Å; P59-H89 HydrophobicContact CB-CB 4.07Å
90K98.3Very high93.8Very high101 Ų10183.8 Ų83.844%0.43941%0.412SS..EExtended strand (participates in β ladder)trans-93.7-36.3177.5-60.3-166.5-161.5162.70112.8T17 E61 S63T17-K90 WeakPolarHBondContact CG2-O 2.97Å; E61-K90 HydrophobicContact CB-CB 4.27Å; E61-K90 HydrophobicContact CG-CB 4.43Å; E61-K90 HydrophobicContact CG-CD 4.2Å; E61-K90 PolarHBondContact O-N 2.92Å; E61-K90 WeakPolarHBondContact OE1-CD 3.02Å; E61-K90 IonicContact OE1-NZ 3.24Å; E61-K90 PolarHBondContact OE1-NZ 2.86Å; S63-K90 WeakPolarHBondContact OG-CE 3.04Å
91T98.4Very high92.4Very high60 Ų6087.8 Ų87.837%0.36843%0.433SS..EExtended strand (participates in β ladder)trans-141.3148.4-177.552.20000110.1P59 T60 E61P59-T91 WeakPolarHBondContact CA-O 3.47Å; T60-T91 PolarHBondContact N-O 3.28Å; T60-T91 VanDerWaalsContact OG1-CB 3.29Å; T60-T91 WeakPolarHBondContact OG1-CB 3.47Å; T60-T91 PolarHBondContact OG1-O 2.93Å; T60-T91 PolarHBondContact OG1-OG1 2.95Å; E61-T91 VanDerWaalsContact CB-OG1 3.29Å; E61-T91 WeakPolarHBondContact CB-OG1 3.45Å; E61-T91 PolarHBondContact N-OG1 3.44Å
92C98.3Very high90.6Very high30 Ų3089.4 Ų89.420%0.20344%0.443CS..EExtended strand (participates in β ladder)trans-131147.8-174.1-53.20000111R16 T17 C46 H58R16-C92 VanDerWaalsContact C-SG 3.52Å; T17-C92 VanDerWaalsContact CG2-SG 3.53Å; C46-C92 WeakPolarHBondContact CA-SG 3.48Å; C46-C92 HydrophobicContact CB-CB 3.85Å; C46-C92 WeakPolarHBondContact CB-SG 3.06Å; C46-C92 VanDerWaalsContact SG-CA 3.58Å; C46-C92 WeakPolarHBondContact SG-CB 3.23Å; C46-C92 CovalentContact SG-SG 2.03Å; C46-C92 PolarHBondContact SG-SG 3.12Å; H58-C92 CarbonylContact O-C 3.52Å; H58-C92 WeakPolarHBondContact O-CA 3.46Å
93E97.8Very high88.8Confident82 Ų8292.9 Ų92.938%0.38347%0.474SS..EExtended strand (participates in β ladder)trans-144155.8171.981.4-173.6175.800112.5H58 T60 R95H58-E93 PolarHBondContact N-O 3.47Å; H58-E93 PolarHBondContact O-N 2.85Å; T60-E93 HydrophobicContact CG2-CB 3.72Å; T60-E93 HydrophobicContact CG2-CG 3.3Å; T60-E93 WeakPolarHBondContact CG2-OE1 3.46Å; T60-E93 WeakPolarHBondContact CG2-OE2 3.4Å; E93-R95 HydrophobicContact CG-CG 3.8Å; E93-R95 IonicContact OE1-CZ 3.79Å; E93-R95 IonicContact OE1-NE 2.84Å; E93-R95 PolarHBondContact OE1-NE 3.3Å; E93-R95 IonicContact OE1-NH2 3.9Å; E93-R95 PolarHBondContact OE1-NH2 2.84Å
94C97.9Very high86.7Confident40 Ų4088.4 Ų88.427%0.2747%0.47SS..EExtended strand (participates in β ladder)trans-84.6116.7176.2-70.60000110.7C15 C50 L55 E56C15-C94 VanDerWaalsContact CB-SG 3.5Å; C50-C94 WeakPolarHBondContact CA-SG 3.34Å; C50-C94 HydrophobicContact CB-CB 3.67Å; C50-C94 WeakPolarHBondContact CB-SG 3.21Å; C50-C94 VanDerWaalsContact SG-CA 3.54Å; C50-C94 WeakPolarHBondContact SG-CB 3.32Å; C50-C94 CovalentContact SG-SG 2.03Å; C50-C94 PolarHBondContact SG-SG 2.91Å; L55-C94 HydrophobicContact CB-CB 4.36Å; L55-C94 HydrophobicContact CD1-CB 4.12Å; E56-C94 WeakPolarHBondContact O-CA 3.45Å
95R96.5Very high84.7Confident116 Ų11699 Ų9944%0.43851%0.509SS..EExtended strand (participates in β ladder)trans-117.2152.5178.9-62.9-174.7171.2164.20.7111.1L55 E56 E93 R97L55-R95 CarbonylContact C-O 3.51Å; L55-R95 VanDerWaalsContact CA-O 3.31Å; L55-R95 WeakPolarHBondContact CA-O 3.31Å; E56-R95 PolarHBondContact N-O 3.05Å; E56-R95 PolarHBondContact O-N 2.78Å; E93-R95 HydrophobicContact CG-CG 3.8Å; E93-R95 IonicContact OE1-CZ 3.79Å; E93-R95 IonicContact OE1-NE 2.84Å; E93-R95 PolarHBondContact OE1-NE 3.3Å; E93-R95 IonicContact OE1-NH2 3.9Å; E93-R95 PolarHBondContact OE1-NH2 2.84Å; R95-R97 PolarHBondContact O-N 3.24Å
96V95.1Very high82.6Confident113 Ų113105.8 Ų105.869%0.68553%0.534SS*.EExtended strand (participates in β ladder)trans-62.3130.5175.8-179.10000110.3L55 K98L55-V96 HydrophobicContact CD2-CB 4.48Å; L55-V96 HydrophobicContact CD2-CG2 3.9Å; V96-K98 PolarHBondContact O-N 2.67Å
97R90.1Very high80.5Confident133 Ų133116.8 Ų116.850%0.50258%0.575SS.*PPolyproline II helixtrans-60.5129.1174.4-72.8177.3179.3-163.4-6.8109.8E53 N54 L55 E56 R95E53-R97 VanDerWaalsContact O-CD 3.3Å; E53-R97 WeakPolarHBondContact O-CD 3.35Å; E53-R97 PolarHBondContact O-NE 3.37Å; E53-R97 VanDerWaalsContact O-NE 3.13Å; E53-R97 PolarHBondContact O-NH1 3.49Å; E53-R97 VanDerWaalsContact O-NH1 3.15Å; N54-R97 WeakPolarHBondContact O-CB 3.34Å; N54-R97 WeakPolarHBondContact O-CG 3.42Å; N54-R97 PolarHBondContact O-N 2.9Å; L55-R97 PolarHBondContact O-NE 3.41Å; E56-R97 HydrophobicContact CB-CG 3.8Å; R95-R97 PolarHBondContact O-N 3.24Å
98K81.1Confident78.6Confident187 Ų187123.4 Ų123.481%0.81360%0.603SS**PPolyproline II helixtrans-69.9127.8171.1-64.8-177.1-176175.10108V96 L100V96-K98 PolarHBondContact O-N 2.67Å; K98-L100 PolarHBondContact O-N 3.07Å; K98-L100 VanDerWaalsContact O-N 3.12Å
99P73.9Confident76.4Confident102 Ų102133 Ų13366%0.66264%0.637SS**PPolyproline II helixtrans-61.4122.1175.423.1-30.2000108.5M101P99-M101 VanDerWaalsContact C-N 3.35Å; P99-M101 PolarHBondContact O-N 3.33Å
100L70.9Confident73.9Confident165 Ų165134.8 Ų134.886%0.86466%0.664SS**  trans-59.8103.2166.6-72.7163.6000106.3K98 K102K98-L100 PolarHBondContact O-N 3.07Å; K98-L100 VanDerWaalsContact O-N 3.12Å; L100-K102 PolarHBondContact O-N 2.96Å
101M63.7Low71.4Confident167 Ų167142 Ų14282%0.82369%0.689SS**  trans-5896.1168-76.4-78.7137.400106P99 A103P99-M101 VanDerWaalsContact C-N 3.35Å; P99-M101 PolarHBondContact O-N 3.33Å; M101-A103 PolarHBondContact O-N 3.45Å
102K59.9Low68.9Low196 Ų196142.8 Ų142.885%0.85271%0.709SS**  trans-51.3114.7170.1-69.2-176.5179.7178.40104.7L100 G104L100-K102 PolarHBondContact O-N 2.96Å; K102-G104 PolarHBondContact O-N 3.47Å
103A57.3Low66.4Low100 Ų100153 Ų15383%0.82674%0.743SS**  trans-57.191.4175.500000107.1M101 R105M101-A103 PolarHBondContact O-N 3.45Å; A103-R105 PolarHBondContact O-N 2.89Å
104G53Low64.2Low62 Ų62161.1 Ų161.164%0.63977%0.77SS**  trans-62.7112.3-177.600000105.7K102 K106K102-G104 PolarHBondContact O-N 3.47Å; G104-K106 PolarHBondContact O-N 3.14Å
105R55Low62Low239 Ų239170.6 Ų170.690%0.90280%0.8SS**  trans-52.892.5161.9-75.3177.5163179.2-6.4106.5A103 R107A103-R105 PolarHBondContact O-N 2.89Å; R105-R107 PolarHBondContact O-N 3.18Å
106K53.7Low59.5Low201 Ų201174.4 Ų174.487%0.87482%0.82SS**  trans-61.388.9167.8-93.6-177.4176.1174.10105.8G104 Q108G104-K106 PolarHBondContact O-N 3.14Å; K106-Q108 VanDerWaalsContact C-N 3.3Å; K106-Q108 PolarHBondContact O-N 2.83Å
107R54.6Low57.3Low232 Ų232178 Ų17888%0.87583%0.829SS**  trans-60100.2161.7-85.3-178.8153.4-176.7-6.2105.6R105 R109R105-R107 PolarHBondContact O-N 3.18Å; R107-R109 PolarHBondContact O-N 3.3Å
108Q57.4Low55.1Low191 Ų191182 Ų18289%0.89384%0.844SS**  trans-57.994.7164.7-82.2-177.9-23.300107.1K106 G110K106-Q108 VanDerWaalsContact C-N 3.3Å; K106-Q108 PolarHBondContact O-N 2.83Å; Q108-G110 PolarHBondContact O-N 3.17Å; Q108-G110 VanDerWaalsContact O-N 3.16Å
109R52.6Low53.3Low244 Ų244180.5 Ų180.592%0.92184%0.84SS**  trans-69.3110.5166-89.4-175.7161.9-177.5-4.5106.6R107R107-R109 PolarHBondContact O-N 3.3Å
110G46Very low51.5Low70 Ų70185.1 Ų185.172%0.72285%0.85SS**  trans-51.1142.7-172.900000113.8Q108 G112Q108-G110 PolarHBondContact O-N 3.17Å; Q108-G110 VanDerWaalsContact O-N 3.16Å; G110-G112 PolarHBondContact O-N 2.95Å
111R45.5Very low50Low253 Ų253181.3 Ų181.396%0.95584%0.842SS**  trans-50.1106.7167.3-81.4173.3163176.1-5.9109.8R113R111-R113 PolarHBondContact O-N 3.24Å
112G45.5Very low48.9Very low76 Ų76182.9 Ų182.978%0.78485%0.845SS**  trans-61.5106.9169.700000110.3G110 R114G110-G112 PolarHBondContact O-N 2.95Å; G112-R114 PolarHBondContact O-N 3.24Å
113R47.1Very low47.9Very low244 Ų244180.6 Ų180.692%0.92184%0.842SS**  trans-67.5110.9167.4-89.2179162.3-177.4-4.5108.5R111 R115R111-R113 PolarHBondContact O-N 3.24Å; R113-R115 PolarHBondContact O-N 2.61Å
114R51.1Low47.3Very low252 Ų252182 Ų18295%0.95184%0.844SS**  trans-50.8123161.8-79.7179.2167.7-175.5-4.2109.2G112G112-R114 PolarHBondContact O-N 3.24Å
115R51.3Low47Very low240 Ų240186.2 Ų186.291%0.90685%0.852SS**  trans-133.993.7166.1-159.6175.7-177.5-176.4-0.1111.3R113R113-R115 PolarHBondContact O-N 2.61Å
116K44.8Very low46.5Very low196 Ų196184.5 Ų184.585%0.85285%0.845SS**  trans48.1102.5132.8-131.4172.5-175.5177.90118.1
117E48.8Very low46Very low188 Ų188181.2 Ų181.288%0.87985%0.846SS**  trans-42.2133.2152.3-128.3176.9145.600113.4
118R43.4Very low45.5Very low216 Ų216177.2 Ų177.282%0.81584%0.837SS**  trans-173.5113.6142.2-107.4169.4177.6-102.90.3112
119Q43Very low45.2Very low157 Ų157175.5 Ų175.573%0.73483%0.833SS**  trans38.2134.9134.1-68.1164.40.600118.2
120K37.2Very low44.9Very low198 Ų198169.8 Ų169.886%0.86183%0.827SS**  cis-174.7158.644-134.2172.4-175.6-176.40110.5
121A39.8Very low44.8Very low85 Ų85177.9 Ų177.970%0.70284%0.836SS**  trans-32.7146.2173.500000119.8
122K39.2Very low44.5Very low201 Ų201181.2 Ų181.287%0.87485%0.848SS**  174.9127.4103-90-178.4-178.6-170.90111.9
123D39.3Very low44.4Very low148 Ų148186.5 Ų186.579%0.79185%0.852SS**  trans46.7115.6133.6-144.118.1000120.7
124C45.3Very low44.3Very low130 Ų130183.5 Ų183.588%0.87885%0.848SS**  trans-162.6109.9136.3-148.30000110.6
125D47.5Very low43.9Very low149 Ų149179.7 Ų179.780%0.79784%0.842SS**  trans-51158.4163.2-106.1-54.7000112.7
126R43.1Very low43.5Very low204 Ų204176.1 Ų176.177%0.7784%0.839SS**  trans100.867.9165.2-151172.1177.7-176.5-1.2116.4Q128R126-Q128 HydrophobicContact CG-CG 4.48Å; R126-Q128 PolarHBondContact O-N 3.05Å
127C44.3Very low43.4Very low131 Ų131174.9 Ų174.989%0.88584%0.838SS**  trans-67.1109146.6-67.40000109.7
128Q42.8Very low43Very low149 Ų149174 Ų17470%0.69684%0.835SS**  trans-128115.2155.5-78.1-176.9-900108.6R126R126-Q128 HydrophobicContact CG-CG 4.48Å; R126-Q128 PolarHBondContact O-N 3.05Å
129I51.3Low43Very low155 Ų155171 Ų17180%0.79584%0.836SS**PPolyproline II helixtrans-80.7124.5175.1-57.7165.9000107.6
130P46.8Very low43Very low123 Ų123172.1 Ų172.180%0.79984%0.844SS**PPolyproline II helixtrans-88118.9162.83.415.7000109.2
131R42.7Very low43.5Very low241 Ų241169.9 Ų169.991%0.90984%0.843SS**PPolyproline II helixtrans-76132.2162-70.7-178.5174.7-173.6-1.5109
132R39.6Very low43.8Very low323 Ų323177.6 Ų177.6100%1.21986%0.856SS**  trans-151.80141.5-142.8178.5-167.1-171.83.2109.9

Retrieved 132 of 132 residues in 142.3 ms (Link to these results)