A0A087YAC7_POEFO Loading...

F-actin-capping protein subunit alpha

F-actin-capping proteins bind in a Ca(2+)-independent manner to the fast growing ends of actin filaments (barbed end) thereby blocking the exchange of subunits at these ends. Unlike other capping proteins (such as gelsolin and severin), these proteins do not sever actin filaments.

AlphaFold DB , UniProt , Accession A0A087YAC7, Species POEFO (Poecilia formosa, Amazon molly), Gene CAPZA2, Length 286 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M42.3Very low69.8Low247 Ų247146.9 Ų146.9100%1.21775%0.752SS**  099.50-71.5175.1179.300104.4
2A46Very low71.7Confident96 Ų96140.3 Ų140.379%0.79372%0.716SS**  trans-72.3133.1-177.500000108.1H4A2-H4 PolarHBondContact O-N 3.25Å
3D50.1Low73.3Confident155 Ų155134.8 Ų134.883%0.82968%0.684SS**  trans-44.5123.7172.1-83.3-40.6000109.8E5D3-E5 VanDerWaalsContact C-N 3.28Å; D3-E5 PolarHBondContact O-N 3.03Å
4H55.3Low74.6Confident188 Ų188126.6 Ų126.687%0.8764%0.644SS**  trans-64.698.9158.8-80.9-77.8000106A2 E6A2-H4 PolarHBondContact O-N 3.25Å; H4-E6 PolarHBondContact O-N 3.17Å
5E59.4Low75.8Confident177 Ų177129 Ų12983%0.82764%0.642SS**  trans-53.8107.5164-75.2179.616300107.1D3 Q7D3-E5 VanDerWaalsContact C-N 3.28Å; D3-E5 PolarHBondContact O-N 3.03Å; E5-Q7 PolarHBondContact O-N 3.21Å
6E69.8Low76.9Confident188 Ų188125.1 Ų125.188%0.87962%0.623SS**  trans-53.7111.9166.9-96.7178.5157.300107.1H4 L8H4-E6 PolarHBondContact O-N 3.17Å; E6-L8 PolarHBondContact O-N 3.39Å
7Q83Confident77.8Confident182 Ų182118 Ų11885%0.8559%0.589SS**PPolyproline II helixtrans-60.9123.9175.2-76.6-174.3-13.200108.1E5 S9E5-Q7 PolarHBondContact O-N 3.21Å; Q7-S9 PolarHBondContact O-N 3.3Å
8L88.4Confident78.6Confident85 Ų85111.7 Ų111.745%0.44556%0.558SS.*PPolyproline II helixtrans-50.4138.2175-70.1168.8000110.4E6 E12 K13 I16E6-L8 PolarHBondContact O-N 3.39Å; L8-E12 HydrophobicContact CB-CB 4.45Å; L8-E12 HydrophobicContact CD2-CB 4.26Å; L8-K13 HydrophobicContact CB-CG 4.01Å; L8-K13 WeakPolarHBondContact O-CE 3.4Å; L8-K13 PolarHBondContact O-NZ 3.31Å; L8-I16 HydrophobicContact CD1-CD1 3.92Å
9S92.4Very high79.4Confident51 Ų51110.5 Ų110.536%0.35755%0.554SS.*PPolyproline II helixtrans-63.9157.3172.564.40000110.9Q7 E11 E12 K13Q7-S9 PolarHBondContact O-N 3.3Å; S9-E11 PolarHBondContact O-N 2.97Å; S9-E12 WeakPolarHBondContact CB-OE2 3.35Å; S9-E12 PolarHBondContact N-OE2 2.73Å; S9-E12 PolarHBondContact O-N 3.48Å; S9-E12 VanDerWaalsContact O-N 3.15Å; S9-E12 WeakPolarHBondContact OG-CB 2.93Å; S9-E12 VanDerWaalsContact OG-CD 3.31Å; S9-E12 WeakPolarHBondContact OG-CG 3.42Å; S9-E12 PolarHBondContact OG-N 3.09Å; S9-E12 PolarHBondContact OG-OE2 2.88Å; S9-K13 WeakPolarHBondContact O-CG 3.35Å; S9-K13 PolarHBondContact O-N 3.19Å
10D90.4Very high80.2Confident83 Ų83110.7 Ų110.744%0.44455%0.551SS.*Hα-helixtrans-63.4-32.5178.6-73.5-11000112K13 V14 L45D10-K13 PolarHBondContact O-N 2.51Å; D10-K13 IonicContact OD1-NZ 2.93Å; D10-K13 PolarHBondContact OD1-NZ 2.95Å; D10-K13 VanDerWaalsContact OD1-NZ 3.1Å; D10-V14 VanDerWaalsContact O-CG2 3.29Å; D10-V14 WeakPolarHBondContact O-CG2 3.42Å; D10-V14 PolarHBondContact O-N 3.44Å; D10-L45 HydrophobicContact CB-CD1 4.17Å; D10-L45 HydrophobicContact CB-CD2 3.86Å
11E90.3Very high80.8Confident164 Ų164105.4 Ų105.477%0.76653%0.525SS*.Hα-helixtrans-62.7-42.9173-66.7-178-18000112.1S9 V14 R15S9-E11 PolarHBondContact O-N 2.97Å; E11-V14 PolarHBondContact O-N 3.17Å; E11-R15 PolarHBondContact O-N 3.27Å
12E92.5Very high83.2Confident68 Ų6895.8 Ų95.832%0.31848%0.478SS..Hα-helixtrans-68.6-40.1177.9-72.1169.7123.900112.2L8 S9 V14 R15 I16L8-E12 HydrophobicContact CB-CB 4.45Å; L8-E12 HydrophobicContact CD2-CB 4.26Å; S9-E12 WeakPolarHBondContact CB-OE2 3.35Å; S9-E12 PolarHBondContact N-OE2 2.73Å; S9-E12 PolarHBondContact O-N 3.48Å; S9-E12 VanDerWaalsContact O-N 3.15Å; S9-E12 WeakPolarHBondContact OG-CB 2.93Å; S9-E12 VanDerWaalsContact OG-CD 3.31Å; S9-E12 WeakPolarHBondContact OG-CG 3.42Å; S9-E12 PolarHBondContact OG-N 3.09Å; S9-E12 PolarHBondContact OG-OE2 2.88Å; E12-V14 VanDerWaalsContact C-N 3.33Å; E12-V14 PolarHBondContact O-N 3.32Å; E12-R15 PolarHBondContact O-N 3.47Å; E12-I16 VanDerWaalsContact O-CG1 3.3Å; E12-I16 WeakPolarHBondContact O-CG1 3.34Å; E12-I16 PolarHBondContact O-N 3.21Å
13K92.4Very high85.5Confident69 Ų6997.4 Ų97.430%0.347%0.469SS..Hα-helixtrans-60.3-44.2174.3-69.7173.7-168.91510111.2L8 S9 D10 I16 A17 L40L8-K13 HydrophobicContact CB-CG 4.01Å; L8-K13 WeakPolarHBondContact O-CE 3.4Å; L8-K13 PolarHBondContact O-NZ 3.31Å; S9-K13 WeakPolarHBondContact O-CG 3.35Å; S9-K13 PolarHBondContact O-N 3.19Å; D10-K13 PolarHBondContact O-N 2.51Å; D10-K13 IonicContact OD1-NZ 2.93Å; D10-K13 PolarHBondContact OD1-NZ 2.95Å; D10-K13 VanDerWaalsContact OD1-NZ 3.1Å; K13-I16 PolarHBondContact O-N 2.98Å; K13-A17 WeakPolarHBondContact O-CB 3.2Å; K13-A17 PolarHBondContact O-N 3.44Å; K13-L40 HydrophobicContact CB-CD1 3.71Å; K13-L40 HydrophobicContact CD-CD1 4.12Å; K13-L40 HydrophobicContact CG-CD1 4.38Å
14V91.7Very high87.7Confident19 Ų1990.1 Ų90.112%0.11543%0.43CS..Hα-helixtrans-60.3-46.2175165.70000111.1D10 E11 E12 I16 A17 A18 L45 G49D10-V14 VanDerWaalsContact O-CG2 3.29Å; D10-V14 WeakPolarHBondContact O-CG2 3.42Å; D10-V14 PolarHBondContact O-N 3.44Å; E11-V14 PolarHBondContact O-N 3.17Å; E12-V14 VanDerWaalsContact C-N 3.33Å; E12-V14 PolarHBondContact O-N 3.32Å; V14-I16 VanDerWaalsContact C-N 3.3Å; V14-I16 PolarHBondContact O-N 3.34Å; V14-A17 PolarHBondContact O-N 3.39Å; V14-A18 VanDerWaalsContact O-CB 3.31Å; V14-A18 WeakPolarHBondContact O-CB 3.13Å; V14-A18 PolarHBondContact O-N 3.08Å; V14-L45 HydrophobicContact CG2-CD1 3.44Å; V14-L45 VanDerWaalsContact CG2-CD1 3.44Å; V14-L45 HydrophobicContact CG2-CD2 3.98Å; V14-L45 HydrophobicContact CG2-CG 3.41Å; V14-L45 VanDerWaalsContact CG2-CG 3.41Å; V14-G49 VanDerWaalsContact CG1-C 3.46Å; V14-G49 VanDerWaalsContact CG1-CA 3.42Å; V14-G49 WeakPolarHBondContact CG1-O 3.48Å
15R92.3Very high89.6Confident163 Ų16381.8 Ų81.862%0.61539%0.392SS*.Hα-helixtrans-59.4-42.1178.5-175.6-17865.3-167-4.6111.7E11 E12 N19E11-R15 PolarHBondContact O-N 3.27Å; E12-R15 PolarHBondContact O-N 3.47Å; R15-N19 WeakPolarHBondContact O-CB 3.4Å; R15-N19 PolarHBondContact O-N 3.33Å
16I93.4Very high91.2Very high66 Ų6673.3 Ų73.334%0.33835%0.353SS..Hα-helixtrans-67.2-45.7177.2-67164.4000110.6L8 E12 K13 V14 A18 N19 F20L8-I16 HydrophobicContact CD1-CD1 3.92Å; E12-I16 VanDerWaalsContact O-CG1 3.3Å; E12-I16 WeakPolarHBondContact O-CG1 3.34Å; E12-I16 PolarHBondContact O-N 3.21Å; K13-I16 PolarHBondContact O-N 2.98Å; V14-I16 VanDerWaalsContact C-N 3.3Å; V14-I16 PolarHBondContact O-N 3.34Å; I16-A18 PolarHBondContact O-N 3.22Å; I16-N19 WeakPolarHBondContact O-CB 3.42Å; I16-N19 PolarHBondContact O-N 3.32Å; I16-N19 VanDerWaalsContact O-N 3.17Å; I16-F20 HydrophobicContact CG2-CD2 4.07Å; I16-F20 HydrophobicContact CG2-CE2 3.55Å; I16-F20 HydrophobicContact CG2-CZ 4.06Å; I16-F20 PolarHBondContact O-N 3.29Å
17A93.1Very high92.4Very high5 Ų565.8 Ų65.84%0.04133%0.325CS..Hα-helixtrans-59.1-46.4176.900000111.9K13 V14 N19 F20 V21 V36 L40 L46K13-A17 WeakPolarHBondContact O-CB 3.2Å; K13-A17 PolarHBondContact O-N 3.44Å; V14-A17 PolarHBondContact O-N 3.39Å; A17-N19 VanDerWaalsContact C-N 3.29Å; A17-N19 PolarHBondContact O-N 3.19Å; A17-F20 PolarHBondContact O-N 3.31Å; A17-V21 WeakPolarHBondContact O-CG2 3.29Å; A17-V21 PolarHBondContact O-N 3.1Å; A17-V21 VanDerWaalsContact O-N 3.1Å; A17-V36 HydrophobicContact CB-CG1 3.52Å; A17-L40 HydrophobicContact CB-CD2 4.48Å; A17-L46 HydrophobicContact CB-CD1 4Å
18A92.3Very high93Very high5 Ų558.3 Ų58.34%0.04129%0.291CS..Hα-helixtrans-59-41175.200000111.8V14 I16 V21 I22 A50 A53V14-A18 VanDerWaalsContact O-CB 3.31Å; V14-A18 WeakPolarHBondContact O-CB 3.13Å; V14-A18 PolarHBondContact O-N 3.08Å; I16-A18 PolarHBondContact O-N 3.22Å; A18-V21 PolarHBondContact O-N 3.43Å; A18-I22 WeakPolarHBondContact O-CG1 3.49Å; A18-I22 PolarHBondContact O-N 2.96Å; A18-A50 HydrophobicContact CB-CB 4.47Å; A18-A53 HydrophobicContact CB-CB 3.9Å
19N93.9Very high93.1Very high88 Ų8854.5 Ų54.547%0.47127%0.271SS..Hα-helixtrans-63-43.8178-167.9-11.9000112R15 I16 A17 V21 I22 H23R15-N19 WeakPolarHBondContact O-CB 3.4Å; R15-N19 PolarHBondContact O-N 3.33Å; I16-N19 WeakPolarHBondContact O-CB 3.42Å; I16-N19 PolarHBondContact O-N 3.32Å; I16-N19 VanDerWaalsContact O-N 3.17Å; A17-N19 VanDerWaalsContact C-N 3.29Å; A17-N19 PolarHBondContact O-N 3.19Å; N19-V21 VanDerWaalsContact C-N 3.34Å; N19-V21 PolarHBondContact O-N 3Å; N19-I22 PolarHBondContact O-N 3.15Å; N19-H23 PolarHBondContact O-N 2.73Å; N19-H23 PolarHBondContact O-ND1 2.96Å; N19-H23 PolarHBondContact OD1-CE1 3.29Å; N19-H23 PolarHBondContact OD1-ND1 3.01Å
20F94.6Very high93.1Very high114 Ų11456.1 Ų56.150%0.528%0.275SS..Hα-helixtrans-61.1-42.1174.4-70.2-42.3000112.5I16 A17 H23 A24 V36I16-F20 HydrophobicContact CG2-CD2 4.07Å; I16-F20 HydrophobicContact CG2-CE2 3.55Å; I16-F20 HydrophobicContact CG2-CZ 4.06Å; I16-F20 PolarHBondContact O-N 3.29Å; A17-F20 PolarHBondContact O-N 3.31Å; F20-H23 PolarHBondContact O-N 3.1Å; F20-A24 PolarHBondContact O-N 2.9Å; F20-V36 HydrophobicContact CB-CG2 3.59Å; F20-V36 HydrophobicContact CD2-CG2 4.03Å; F20-V36 HydrophobicContact CG-CG2 4.22Å
21V92.6Very high93.3Very high0 Ų056.8 Ų56.80%028%0.276CS..Hα-helixtrans-65.2-41.8179.9172.80000111.9A17 A18 N19 H23 A24 F29 V36 A53 F54A17-V21 WeakPolarHBondContact O-CG2 3.29Å; A17-V21 PolarHBondContact O-N 3.1Å; A17-V21 VanDerWaalsContact O-N 3.1Å; A18-V21 PolarHBondContact O-N 3.43Å; N19-V21 VanDerWaalsContact C-N 3.34Å; N19-V21 PolarHBondContact O-N 3Å; V21-H23 VanDerWaalsContact C-N 3.31Å; V21-H23 PolarHBondContact O-N 3.26Å; V21-A24 WeakPolarHBondContact O-CB 3.3Å; V21-A24 PolarHBondContact O-N 3.49Å; V21-F29 HydrophobicContact CG1-CD2 4.47Å; V21-F29 HydrophobicContact CG1-CE2 3.42Å; V21-F29 VanDerWaalsContact CG1-CE2 3.42Å; V21-F29 HydrophobicContact CG1-CZ 3.69Å; V21-V36 HydrophobicContact CG2-CG1 4.49Å; V21-A53 HydrophobicContact CB-CB 4.34Å; V21-A53 HydrophobicContact CG1-CB 4.17Å; V21-F54 HydrophobicContact CG1-CE1 4.42Å
22I93.4Very high93.4Very high46 Ų4650.5 Ų50.524%0.23625%0.248CC..Hα-helixtrans-65.9-34.3178.8-70167.5000111.8A18 N19 A24 A53 Y57A18-I22 WeakPolarHBondContact O-CG1 3.49Å; A18-I22 PolarHBondContact O-N 2.96Å; N19-I22 PolarHBondContact O-N 3.15Å; I22-A24 VanDerWaalsContact C-N 3.35Å; I22-A53 HydrophobicContact CD1-CB 4.03Å; I22-A53 HydrophobicContact CG1-CB 3.8Å; I22-Y57 WeakPolarHBondContact O-CD2 3.31Å
23H94.6Very high93.4Very high130 Ų13048.8 Ų48.860%0.60224%0.24SC*.THydrogen-bonded Turntrans-94.112.1-178-65.589.4000113.8N19 F20 V21N19-H23 PolarHBondContact O-N 2.73Å; N19-H23 PolarHBondContact O-ND1 2.96Å; N19-H23 PolarHBondContact OD1-CE1 3.29Å; N19-H23 PolarHBondContact OD1-ND1 3.01Å; F20-H23 PolarHBondContact O-N 3.1Å; V21-H23 VanDerWaalsContact C-N 3.31Å; V21-H23 PolarHBondContact O-N 3.26Å
24A95.7Very high93.4Very high2 Ų249 Ų492%0.01724%0.244CC..PPolyproline II helixtrans-56.6134.8174.500000110.6F20 V21 I22 F29 V32 Y57F20-A24 PolarHBondContact O-N 2.9Å; V21-A24 WeakPolarHBondContact O-CB 3.3Å; V21-A24 PolarHBondContact O-N 3.49Å; I22-A24 VanDerWaalsContact C-N 3.35Å; A24-F29 HydrophobicContact CB-CD2 4.17Å; A24-V32 HydrophobicContact CB-CB 3.92Å; A24-V32 HydrophobicContact CB-CG1 4.05Å; A24-V32 HydrophobicContact CB-CG2 3.96Å; A24-Y57 HydrophobicContact CB-CE2 3.99Å; A24-Y57 WeakPolarHBondContact O-CE2 3.41Å
25P95.7Very high93.6Very high12 Ų1252.7 Ų52.78%0.07826%0.263CS..PPolyproline II helixtrans-59.9151173-22.933.6000111.7G27 E28 Y57 H197P25-G27 PolarHBondContact O-N 3.41Å; P25-E28 HydrophobicContact CB-CB 4.29Å; P25-E28 PolarHBondContact O-N 2.97Å; P25-Y57 PolarHBondContact O-OH 3.33Å; P25-H197 HydrophobicContact CB-CB 4.18Å
26P93.3Very high93.6Very high0 Ų045.3 Ų45.30%024%0.236CC..THydrogen-bonded Turntrans-60.6131.5177.828.8-37000109.6E28 F163 N170 R172 Q195P26-E28 VanDerWaalsContact C-N 3.33Å; P26-F163 HydrophobicContact CB-CE1 3.89Å; P26-F163 HydrophobicContact CB-CZ 4.13Å; P26-N170 WeakPolarHBondContact O-CB 3.29Å; P26-R172 HydrophobicContact CB-CB 3.68Å; P26-R172 VanDerWaalsContact CB-NH1 3.33Å; P26-R172 HydrophobicContact CG-CB 3.96Å; P26-Q195 VanDerWaalsContact CD-CD 3.4Å; P26-Q195 HydrophobicContact CG-CB 4.2Å; P26-Q195 HydrophobicContact CG-CG 4.06Å
27G94Very high93.6Very high29 Ų2947.1 Ų47.130%0.29924%0.239SC..THydrogen-bonded Turntrans86.3-6.8-176.900000115.4P25P25-G27 PolarHBondContact O-N 3.41Å
28E95.1Very high93.6Very high26 Ų2653.2 Ų53.212%0.12127%0.27CS..  trans-119.815.7-176.1-71161.9-116.100113.3P25 P26 N30 E31 V32 N170 H197 Y199P25-E28 HydrophobicContact CB-CB 4.29Å; P25-E28 PolarHBondContact O-N 2.97Å; P26-E28 VanDerWaalsContact C-N 3.33Å; E28-N30 VanDerWaalsContact C-N 3.33Å; E28-N30 PolarHBondContact O-N 3.5Å; E28-E31 VanDerWaalsContact C-OE2 3.25Å; E28-E31 VanDerWaalsContact CA-OE2 3.27Å; E28-E31 WeakPolarHBondContact CA-OE2 3.13Å; E28-E31 PolarHBondContact O-N 3.18Å; E28-V32 WeakPolarHBondContact O-CG2 3.33Å; E28-V32 PolarHBondContact O-N 3.08Å; E28-N170 WeakPolarHBondContact CG-ND2 3.4Å; E28-N170 PolarHBondContact OE1-ND2 3.14Å; E28-H197 IonicContact OE1-CE1 3.65Å; E28-H197 IonicContact OE1-CG 2.77Å; E28-H197 IonicContact OE1-ND1 3.67Å; E28-H197 PolarHBondContact OE1-ND1 3.39Å; E28-H197 IonicContact OE2-CE1 3.12Å; E28-H197 PolarHBondContact OE2-CE1 3.44Å; E28-H197 IonicContact OE2-ND1 3.77Å; E28-H197 PolarHBondContact OE2-ND1 3.31Å; E28-Y199 WeakPolarHBondContact OE1-CE1 3.38Å
29F92.5Very high93.7Very high5 Ų559.7 Ų59.72%0.02230%0.303CS..Hα-helixtrans-59.3-42.7-177.3-178.6-94.5000113.1V21 A24 F33 F54 Y57 K103V21-F29 HydrophobicContact CG1-CD2 4.47Å; V21-F29 HydrophobicContact CG1-CE2 3.42Å; V21-F29 VanDerWaalsContact CG1-CE2 3.42Å; V21-F29 HydrophobicContact CG1-CZ 3.69Å; A24-F29 HydrophobicContact CB-CD2 4.17Å; F29-F33 WeakPolarHBondContact O-CB 3.47Å; F29-F33 PolarHBondContact O-N 3.16Å; F29-F54 AromaticContact CE1-CD1 3.75Å; F29-F54 HydrophobicContact CE1-CD1 3.75Å; F29-F54 HydrophobicContact CE1-CE1 4.08Å; F29-F54 HydrophobicContact CZ-CB 4.47Å; F29-F54 AromaticContact CZ-CD1 3.34Å; F29-F54 HydrophobicContact CZ-CD1 3.34Å; F29-F54 AromaticContact CZ-CE1 3.8Å; F29-F54 HydrophobicContact CZ-CE1 3.8Å; F29-F54 HydrophobicContact CZ-CG 4.21Å; F29-Y57 HydrophobicContact CB-CE1 3.82Å; F29-Y57 AromaticContact CD2-CD1 3.23Å; F29-Y57 HydrophobicContact CD2-CD1 3.23Å; F29-Y57 AromaticContact CD2-CD2 3.96Å; F29-Y57 HydrophobicContact CD2-CD2 3.96Å; F29-Y57 AromaticContact CD2-CE1 3.21Å; F29-Y57 HydrophobicContact CD2-CE1 3.21Å; F29-Y57 AromaticContact CD2-CE2 3.95Å; F29-Y57 HydrophobicContact CD2-CE2 3.95Å; F29-Y57 AromaticContact CD2-CG 3.62Å; F29-Y57 HydrophobicContact CD2-CG 3.62Å; F29-Y57 AromaticContact CD2-CZ 3.58Å; F29-Y57 AromaticContact CE2-CD1 3.4Å; F29-Y57 HydrophobicContact CE2-CD1 3.4Å; F29-Y57 HydrophobicContact CE2-CD2 4.17Å; F29-Y57 AromaticContact CE2-CE1 3.9Å; F29-Y57 HydrophobicContact CE2-CE1 3.9Å; F29-Y57 AromaticContact CE2-CG 3.54Å; F29-Y57 HydrophobicContact CE2-CG 3.54Å; F29-Y57 HydrophobicContact CG-CD1 4.03Å; F29-Y57 AromaticContact CG-CE1 3.69Å; F29-Y57 HydrophobicContact CG-CE1 3.69Å; F29-Y57 HydrophobicContact CZ-CD1 4.33Å; F29-K103 VanDerWaalsContact CD1-NZ 3.34Å
30N91.7Very high93.6Very high84 Ų8457.1 Ų57.145%0.44929%0.289SS..Hα-helixtrans-71.1-37.8-174.4-69.5-17.8000110.6E28 N34E28-N30 VanDerWaalsContact C-N 3.33Å; E28-N30 PolarHBondContact O-N 3.5Å; N30-N34 WeakPolarHBondContact O-CB 3.28Å; N30-N34 PolarHBondContact O-N 3.26Å; N30-N34 PolarHBondContact O-ND2 2.96Å
31E93.4Very high93.5Very high98 Ų9858.4 Ų58.446%0.45830%0.301SS..Hα-helixtrans-61.9-55.4175.4-6673-167.400109.8E28 F33 N34 D35E28-E31 VanDerWaalsContact C-OE2 3.25Å; E28-E31 VanDerWaalsContact CA-OE2 3.27Å; E28-E31 WeakPolarHBondContact CA-OE2 3.13Å; E28-E31 PolarHBondContact O-N 3.18Å; E31-F33 VanDerWaalsContact C-N 3.32Å; E31-F33 PolarHBondContact O-N 3.45Å; E31-N34 PolarHBondContact O-N 3.16Å; E31-N34 VanDerWaalsContact O-N 3.14Å; E31-D35 PolarHBondContact O-N 2.91Å
32V94.2Very high93.4Very high31 Ų3161.4 Ų61.419%0.18832%0.317CS..Hα-helixtrans-59.1-43177.4173.40000111.4A24 E28 N34 D35 V36A24-V32 HydrophobicContact CB-CB 3.92Å; A24-V32 HydrophobicContact CB-CG1 4.05Å; A24-V32 HydrophobicContact CB-CG2 3.96Å; E28-V32 WeakPolarHBondContact O-CG2 3.33Å; E28-V32 PolarHBondContact O-N 3.08Å; V32-N34 PolarHBondContact O-N 2.9Å; V32-D35 PolarHBondContact O-N 3.21Å; V32-V36 HydrophobicContact CG1-CG2 4.29Å; V32-V36 WeakPolarHBondContact O-CB 3.31Å; V32-V36 VanDerWaalsContact O-CG2 3.24Å; V32-V36 WeakPolarHBondContact O-CG2 3.34Å; V32-V36 PolarHBondContact O-N 3.39Å
33F91.5Very high93.1Very high32 Ų3262.8 Ų62.814%0.1433%0.325CS..Hα-helixtrans-61.3-44.9176.9169-109000112.2F29 E31 D35 V36 R37 L46 F54 L101F29-F33 WeakPolarHBondContact O-CB 3.47Å; F29-F33 PolarHBondContact O-N 3.16Å; E31-F33 VanDerWaalsContact C-N 3.32Å; E31-F33 PolarHBondContact O-N 3.45Å; F33-D35 VanDerWaalsContact C-N 3.34Å; F33-V36 PolarHBondContact O-N 2.89Å; F33-R37 VanDerWaalsContact O-CB 3.3Å; F33-R37 WeakPolarHBondContact O-CB 3.4Å; F33-R37 PolarHBondContact O-N 2.82Å; F33-L46 HydrophobicContact CD2-CD2 4.19Å; F33-L46 HydrophobicContact CE2-CD2 3.48Å; F33-L46 VanDerWaalsContact CE2-CD2 3.48Å; F33-L46 HydrophobicContact CE2-CG 4.11Å; F33-L46 HydrophobicContact CZ-CD2 4.17Å; F33-F54 AromaticContact CD2-CE1 3.45Å; F33-F54 HydrophobicContact CD2-CE1 3.45Å; F33-F54 VanDerWaalsContact CD2-CE1 3.45Å; F33-F54 AromaticContact CD2-CZ 3.51Å; F33-F54 HydrophobicContact CD2-CZ 3.51Å; F33-F54 AromaticContact CE2-CE1 3.6Å; F33-F54 HydrophobicContact CE2-CE1 3.6Å; F33-F54 AromaticContact CE2-CZ 3.34Å; F33-F54 HydrophobicContact CE2-CZ 3.34Å; F33-F54 HydrophobicContact CG-CE1 4.08Å; F33-F54 HydrophobicContact CZ-CE1 4.31Å; F33-F54 HydrophobicContact CZ-CZ 4.26Å; F33-L101 HydrophobicContact CE1-CD1 4.18Å; F33-L101 HydrophobicContact CZ-CD1 4.06Å
34N92.4Very high92.8Very high75 Ų7561 Ų6140%0.40132%0.32SS..Hα-helixtrans-64.3-40.1178.2-74-32.8000111.5N30 E31 V32 R37 L38N30-N34 WeakPolarHBondContact O-CB 3.28Å; N30-N34 PolarHBondContact O-N 3.26Å; N30-N34 PolarHBondContact O-ND2 2.96Å; E31-N34 PolarHBondContact O-N 3.16Å; E31-N34 VanDerWaalsContact O-N 3.14Å; V32-N34 PolarHBondContact O-N 2.9Å; N34-R37 WeakPolarHBondContact O-CB 3.41Å; N34-R37 PolarHBondContact O-N 3.39Å; N34-L38 VanDerWaalsContact O-CG 3.32Å; N34-L38 WeakPolarHBondContact O-CG 3.42Å; N34-L38 PolarHBondContact O-N 2.88Å
35D95.1Very high92.4Very high95 Ų9562.7 Ų62.751%0.50833%0.329SS..Hα-helixtrans-64-47.6176.1-69.8-18.9000111.3E31 V32 F33 R37 L38 L39E31-D35 PolarHBondContact O-N 2.91Å; V32-D35 PolarHBondContact O-N 3.21Å; F33-D35 VanDerWaalsContact C-N 3.34Å; D35-R37 VanDerWaalsContact C-N 3.29Å; D35-R37 PolarHBondContact O-N 3.26Å; D35-L38 PolarHBondContact O-N 3.33Å; D35-L39 WeakPolarHBondContact O-CB 3.2Å; D35-L39 VanDerWaalsContact O-CG 3.28Å; D35-L39 WeakPolarHBondContact O-CG 3.26Å; D35-L39 PolarHBondContact O-N 3.05Å
36V93.6Very high92Very high8 Ų862.3 Ų62.35%0.04833%0.326CS..Hα-helixtrans-60.2-40.4176.3170.60000111.3A17 F20 V21 V32 F33 L39 L40 L46A17-V36 HydrophobicContact CB-CG1 3.52Å; F20-V36 HydrophobicContact CB-CG2 3.59Å; F20-V36 HydrophobicContact CD2-CG2 4.03Å; F20-V36 HydrophobicContact CG-CG2 4.22Å; V21-V36 HydrophobicContact CG2-CG1 4.49Å; V32-V36 HydrophobicContact CG1-CG2 4.29Å; V32-V36 WeakPolarHBondContact O-CB 3.31Å; V32-V36 VanDerWaalsContact O-CG2 3.24Å; V32-V36 WeakPolarHBondContact O-CG2 3.34Å; V32-V36 PolarHBondContact O-N 3.39Å; F33-V36 PolarHBondContact O-N 2.89Å; V36-L39 PolarHBondContact O-N 3.17Å; V36-L40 WeakPolarHBondContact O-CB 3.25Å; V36-L40 PolarHBondContact O-N 3.47Å; V36-L46 HydrophobicContact CG1-CD1 4.06Å
37R92.5Very high91.4Very high105 Ų10570 Ų7040%0.39636%0.355SS..Hα-helixtrans-61.4-45.1176-177.4-176173.6-162.1-2111.9F33 N34 D35 N41 D43 L46F33-R37 VanDerWaalsContact O-CB 3.3Å; F33-R37 WeakPolarHBondContact O-CB 3.4Å; F33-R37 PolarHBondContact O-N 2.82Å; N34-R37 WeakPolarHBondContact O-CB 3.41Å; N34-R37 PolarHBondContact O-N 3.39Å; D35-R37 VanDerWaalsContact C-N 3.29Å; D35-R37 PolarHBondContact O-N 3.26Å; R37-N41 PolarHBondContact O-N 3.07Å; R37-D43 VanDerWaalsContact CG-OD1 3.26Å; R37-D43 WeakPolarHBondContact CG-OD1 3.41Å; R37-D43 IonicContact CZ-OD1 3.15Å; R37-D43 IonicContact CZ-OD2 3.83Å; R37-D43 IonicContact NE-OD1 3.91Å; R37-D43 PolarHBondContact NE-OD1 3.31Å; R37-D43 IonicContact NE-OD2 4Å; R37-D43 PolarHBondContact NE-OD2 3.04Å; R37-D43 IonicContact NH2-OD1 2.86Å; R37-D43 IonicContact NH2-OD2 2.84Å; R37-D43 PolarHBondContact NH2-OD2 3.24Å; R37-L46 HydrophobicContact CB-CD2 3.67Å; R37-L46 HydrophobicContact CG-CD2 4Å
38L94.4Very high90.8Very high132 Ų13275.6 Ų75.669%0.69137%0.373SS*.Hα-helixtrans-66.3-39.9177.2-71.5170.9000112.2N34 D35N34-L38 VanDerWaalsContact O-CG 3.32Å; N34-L38 WeakPolarHBondContact O-CG 3.42Å; N34-L38 PolarHBondContact O-N 2.88Å; D35-L38 PolarHBondContact O-N 3.33Å
39L94Very high90.1Very high141 Ų14175.2 Ų75.274%0.73838%0.376SS*.Hα-helixtrans-67.3-42.4178-71.9172.3000112.4D35 V36D35-L39 WeakPolarHBondContact O-CB 3.2Å; D35-L39 VanDerWaalsContact O-CG 3.28Å; D35-L39 WeakPolarHBondContact O-CG 3.26Å; D35-L39 PolarHBondContact O-N 3.05Å; V36-L39 PolarHBondContact O-N 3.17Å
40L91.9Very high89.7Confident34 Ų3475 Ų7518%0.17838%0.376CS..Hα-helixtrans-74.4-32.8179.5-172.963.1000112.1K13 A17 V36 N42 L45 L46K13-L40 HydrophobicContact CB-CD1 3.71Å; K13-L40 HydrophobicContact CD-CD1 4.12Å; K13-L40 HydrophobicContact CG-CD1 4.38Å; A17-L40 HydrophobicContact CB-CD2 4.48Å; V36-L40 WeakPolarHBondContact O-CB 3.25Å; V36-L40 PolarHBondContact O-N 3.47Å; L40-N42 HydrophobicContact CG-CB 4.44Å; L40-N42 PolarHBondContact O-N 3.05Å; L40-N42 VanDerWaalsContact O-N 3.16Å; L40-L45 HydrophobicContact CD1-CD2 4.32Å; L40-L45 HydrophobicContact CD2-CD2 4.38Å; L40-L46 HydrophobicContact CD2-CB 3.98Å; L40-L46 HydrophobicContact CD2-CD1 4.08Å
41N91.8Very high89.4Confident142 Ų14273.6 Ų73.676%0.75938%0.376SS*.  trans51.734.7179.8-163.431.9000113.8R37R37-N41 PolarHBondContact O-N 3.07Å
42N91.2Very high89.2Confident63 Ų6374.2 Ų74.234%0.33738%0.378SS..  trans-149.192.3177.3-172-17.6000110.8L40 N44 L45 L46L40-N42 HydrophobicContact CG-CB 4.44Å; L40-N42 PolarHBondContact O-N 3.05Å; L40-N42 VanDerWaalsContact O-N 3.16Å; N42-N44 VanDerWaalsContact C-N 3.35Å; N42-N44 PolarHBondContact O-N 3.44Å; N42-N44 PolarHBondContact OD1-N 2.79Å; N42-L45 HydrophobicContact CB-CB 4.05Å; N42-L45 VanDerWaalsContact CG-CB 3.49Å; N42-L45 PolarHBondContact O-N 2.95Å; N42-L45 PolarHBondContact OD1-N 3.43Å; N42-L46 PolarHBondContact O-N 3.15Å; N42-L46 VanDerWaalsContact O-N 3.09Å
43D87.6Confident89.1Confident74 Ų7472.8 Ų72.840%0.39637%0.37SS..Hα-helixtrans-64.7-35-174.6-73.2-10000113.6R37 R47R37-D43 VanDerWaalsContact CG-OD1 3.26Å; R37-D43 WeakPolarHBondContact CG-OD1 3.41Å; R37-D43 IonicContact CZ-OD1 3.15Å; R37-D43 IonicContact CZ-OD2 3.83Å; R37-D43 IonicContact NE-OD1 3.91Å; R37-D43 PolarHBondContact NE-OD1 3.31Å; R37-D43 IonicContact NE-OD2 4Å; R37-D43 PolarHBondContact NE-OD2 3.04Å; R37-D43 IonicContact NH2-OD1 2.86Å; R37-D43 IonicContact NH2-OD2 2.84Å; R37-D43 PolarHBondContact NH2-OD2 3.24Å; D43-R47 VanDerWaalsContact O-CB 3.26Å; D43-R47 WeakPolarHBondContact O-CB 3.49Å; D43-R47 PolarHBondContact O-N 2.77Å
44N87.7Confident89Confident94 Ų9471.8 Ų71.850%0.50337%0.365SS..Hα-helixtrans-66.4-45.4179.8-70-35.8000110.4N42 R47 E48N42-N44 VanDerWaalsContact C-N 3.35Å; N42-N44 PolarHBondContact O-N 3.44Å; N42-N44 PolarHBondContact OD1-N 2.79Å; N44-R47 PolarHBondContact O-N 3.07Å; N44-R47 PolarHBondContact OD1-NH2 3.15Å; N44-R47 VanDerWaalsContact OD1-NH2 3.15Å; N44-E48 PolarHBondContact O-N 3.37Å
45L87.7Confident89Confident36 Ų3669.4 Ų69.419%0.18836%0.356CS..Hα-helixtrans-63.8-42.4178.5-175.764.4000111.6D10 V14 L40 N42 G49D10-L45 HydrophobicContact CB-CD1 4.17Å; D10-L45 HydrophobicContact CB-CD2 3.86Å; V14-L45 HydrophobicContact CG2-CD1 3.44Å; V14-L45 VanDerWaalsContact CG2-CD1 3.44Å; V14-L45 HydrophobicContact CG2-CD2 3.98Å; V14-L45 HydrophobicContact CG2-CG 3.41Å; V14-L45 VanDerWaalsContact CG2-CG 3.41Å; L40-L45 HydrophobicContact CD1-CD2 4.32Å; L40-L45 HydrophobicContact CD2-CD2 4.38Å; N42-L45 HydrophobicContact CB-CB 4.05Å; N42-L45 VanDerWaalsContact CG-CB 3.49Å; N42-L45 PolarHBondContact O-N 2.95Å; N42-L45 PolarHBondContact OD1-N 3.43Å; L45-G49 WeakPolarHBondContact O-CA 3.26Å; L45-G49 PolarHBondContact O-N 3.35Å
46L85.9Confident88.9Confident5 Ų568.9 Ų68.93%0.02635%0.35CS..Hα-helixtrans-64.6-43.8177-169.260.3000112A17 F33 V36 R37 L40 N42 A50A17-L46 HydrophobicContact CB-CD1 4Å; F33-L46 HydrophobicContact CD2-CD2 4.19Å; F33-L46 HydrophobicContact CE2-CD2 3.48Å; F33-L46 VanDerWaalsContact CE2-CD2 3.48Å; F33-L46 HydrophobicContact CE2-CG 4.11Å; F33-L46 HydrophobicContact CZ-CD2 4.17Å; V36-L46 HydrophobicContact CG1-CD1 4.06Å; R37-L46 HydrophobicContact CB-CD2 3.67Å; R37-L46 HydrophobicContact CG-CD2 4Å; L40-L46 HydrophobicContact CD2-CB 3.98Å; L40-L46 HydrophobicContact CD2-CD1 4.08Å; N42-L46 PolarHBondContact O-N 3.15Å; N42-L46 VanDerWaalsContact O-N 3.09Å; L46-A50 HydrophobicContact CD1-CB 3.84Å; L46-A50 WeakPolarHBondContact O-CA 3.5Å; L46-A50 VanDerWaalsContact O-CB 3.25Å; L46-A50 WeakPolarHBondContact O-CB 3.3Å; L46-A50 PolarHBondContact O-N 3.41Å
47R81.9Confident89Confident160 Ų16068.7 Ų68.760%0.60435%0.349SS*.Hα-helixtrans-65.3-44.5-177.5-176.8-178.662.8-158.3-9.4112D43 N44 A51D43-R47 VanDerWaalsContact O-CB 3.26Å; D43-R47 WeakPolarHBondContact O-CB 3.49Å; D43-R47 PolarHBondContact O-N 2.77Å; N44-R47 PolarHBondContact O-N 3.07Å; N44-R47 PolarHBondContact OD1-NH2 3.15Å; N44-R47 VanDerWaalsContact OD1-NH2 3.15Å; R47-A51 WeakPolarHBondContact O-CB 3.32Å
48E81.1Confident89.2Confident147 Ų14763.7 Ų63.769%0.68733%0.33SS*.Hα-helixtrans-76.7-43.5-179.6-69.9173.9-166.600111.4N44N44-E48 PolarHBondContact O-N 3.37Å
49G80.7Confident89.3Confident18 Ų1858.6 Ų58.619%0.18630%0.303CS..Hα-helixtrans-79.1-35.2-172.400000114.6V14 L45 H52V14-G49 VanDerWaalsContact CG1-C 3.46Å; V14-G49 VanDerWaalsContact CG1-CA 3.42Å; V14-G49 WeakPolarHBondContact CG1-O 3.48Å; L45-G49 WeakPolarHBondContact O-CA 3.26Å; L45-G49 PolarHBondContact O-N 3.35Å; G49-H52 PolarHBondContact O-CE1 2.91Å; G49-H52 PolarHBondContact O-ND1 2.97Å
50A83.6Confident89.4Confident1 Ų155.1 Ų55.11%0.00829%0.285CS..Hα-helixtrans-103.50.7-174.300000114A18 L46 H52 A53 F54A18-A50 HydrophobicContact CB-CB 4.47Å; L46-A50 HydrophobicContact CD1-CB 3.84Å; L46-A50 WeakPolarHBondContact O-CA 3.5Å; L46-A50 VanDerWaalsContact O-CB 3.25Å; L46-A50 WeakPolarHBondContact O-CB 3.3Å; L46-A50 PolarHBondContact O-N 3.41Å; A50-H52 PolarHBondContact O-N 3.09Å; A50-H52 VanDerWaalsContact O-N 3.09Å; A50-A53 HydrophobicContact CB-CB 4.46Å; A50-A53 WeakPolarHBondContact O-CA 3.36Å; A50-A53 WeakPolarHBondContact O-CB 3.24Å; A50-A53 PolarHBondContact O-N 2.88Å; A50-F54 HydrophobicContact CB-CE2 3.88Å; A50-F54 WeakPolarHBondContact O-CD2 3.26Å; A50-F54 WeakPolarHBondContact O-CE2 3.41Å; A50-F54 PolarHBondContact O-N 3.38Å
51A85.3Confident89.6Confident54 Ų5454 Ų5445%0.44628%0.279SS..Hα-helixtrans-48.2-41.9179.900000113.3R47 A53 F54 A55R47-A51 WeakPolarHBondContact O-CB 3.32Å; A51-A53 VanDerWaalsContact C-N 3.31Å; A51-A53 PolarHBondContact O-N 3.37Å; A51-F54 PolarHBondContact O-N 2.98Å; A51-A55 PolarHBondContact O-N 3.2Å
52H88.9Confident89.9Confident112 Ų11248.2 Ų48.252%0.51925%0.247SC..Hα-helixtrans-64.2-32.9177.570.8-83.7000113G49 A50 A55 Q56G49-H52 PolarHBondContact O-CE1 2.91Å; G49-H52 PolarHBondContact O-ND1 2.97Å; A50-H52 PolarHBondContact O-N 3.09Å; A50-H52 VanDerWaalsContact O-N 3.09Å; H52-A55 PolarHBondContact O-N 2.99Å; H52-Q56 WeakPolarHBondContact O-CB 3.44Å; H52-Q56 PolarHBondContact O-N 3.37Å
53A91.6Very high90.2Very high0 Ų045.7 Ų45.70%023%0.234CC..Hα-helixtrans-67.1-37.4178.200000112A18 V21 I22 A50 A51 A55 Y57A18-A53 HydrophobicContact CB-CB 3.9Å; V21-A53 HydrophobicContact CB-CB 4.34Å; V21-A53 HydrophobicContact CG1-CB 4.17Å; I22-A53 HydrophobicContact CD1-CB 4.03Å; I22-A53 HydrophobicContact CG1-CB 3.8Å; A50-A53 HydrophobicContact CB-CB 4.46Å; A50-A53 WeakPolarHBondContact O-CA 3.36Å; A50-A53 WeakPolarHBondContact O-CB 3.24Å; A50-A53 PolarHBondContact O-N 2.88Å; A51-A53 VanDerWaalsContact C-N 3.31Å; A51-A53 PolarHBondContact O-N 3.37Å; A53-A55 VanDerWaalsContact C-N 3.34Å; A53-Y57 VanDerWaalsContact O-CB 3.23Å; A53-Y57 WeakPolarHBondContact O-CB 3.36Å; A53-Y57 PolarHBondContact O-N 2.89Å
54F89.4Confident90.7Very high12 Ų1243.2 Ų43.25%0.05322%0.222CC..Hα-helixtrans-63.9-43.2173.4-56.1-95.8000111V21 F29 F33 A50 A51 N58 H100 L101V21-F54 HydrophobicContact CG1-CE1 4.42Å; F29-F54 AromaticContact CE1-CD1 3.75Å; F29-F54 HydrophobicContact CE1-CD1 3.75Å; F29-F54 HydrophobicContact CE1-CE1 4.08Å; F29-F54 HydrophobicContact CZ-CB 4.47Å; F29-F54 AromaticContact CZ-CD1 3.34Å; F29-F54 HydrophobicContact CZ-CD1 3.34Å; F29-F54 AromaticContact CZ-CE1 3.8Å; F29-F54 HydrophobicContact CZ-CE1 3.8Å; F29-F54 HydrophobicContact CZ-CG 4.21Å; F33-F54 AromaticContact CD2-CE1 3.45Å; F33-F54 HydrophobicContact CD2-CE1 3.45Å; F33-F54 VanDerWaalsContact CD2-CE1 3.45Å; F33-F54 AromaticContact CD2-CZ 3.51Å; F33-F54 HydrophobicContact CD2-CZ 3.51Å; F33-F54 AromaticContact CE2-CE1 3.6Å; F33-F54 HydrophobicContact CE2-CE1 3.6Å; F33-F54 AromaticContact CE2-CZ 3.34Å; F33-F54 HydrophobicContact CE2-CZ 3.34Å; F33-F54 HydrophobicContact CG-CE1 4.08Å; F33-F54 HydrophobicContact CZ-CE1 4.31Å; F33-F54 HydrophobicContact CZ-CZ 4.26Å; A50-F54 HydrophobicContact CB-CE2 3.88Å; A50-F54 WeakPolarHBondContact O-CD2 3.26Å; A50-F54 WeakPolarHBondContact O-CE2 3.41Å; A50-F54 PolarHBondContact O-N 3.38Å; A51-F54 PolarHBondContact O-N 2.98Å; F54-N58 WeakPolarHBondContact O-CB 3.12Å; F54-N58 VanDerWaalsContact O-CG 3.28Å; F54-N58 PolarHBondContact O-N 2.99Å; F54-N58 PolarHBondContact O-ND2 2.91Å; F54-N58 VanDerWaalsContact O-ND2 3.08Å; F54-H100 HydrophobicContact CB-CB 3.95Å; F54-L101 HydrophobicContact CD1-CD1 3.91Å; F54-L101 HydrophobicContact CE1-CD1 3.66Å; F54-L101 HydrophobicContact CZ-CD1 4.31Å
55A92.3Very high91.2Very high24 Ų2439.1 Ų39.120%0.19820%0.2CC..Hα-helixtrans-61.6-53.517800000110.7A51 H52 A53 Y57 N58 L59 H100A51-A55 PolarHBondContact O-N 3.2Å; H52-A55 PolarHBondContact O-N 2.99Å; A53-A55 VanDerWaalsContact C-N 3.34Å; A55-Y57 PolarHBondContact O-N 2.93Å; A55-N58 PolarHBondContact O-N 3.42Å; A55-L59 VanDerWaalsContact O-CG 3.23Å; A55-L59 WeakPolarHBondContact O-CG 3.5Å; A55-L59 PolarHBondContact O-N 3.4Å; A55-H100 WeakPolarHBondContact CA-ND1 3.41Å
56Q94.2Very high91.6Very high85 Ų8542.2 Ų42.240%0.39721%0.212SC..Hα-helixtrans-57.7-47.7178.9-168.862.250.300112H52 N58 L59 D60H52-Q56 WeakPolarHBondContact O-CB 3.44Å; H52-Q56 PolarHBondContact O-N 3.37Å; Q56-N58 VanDerWaalsContact C-N 3.34Å; Q56-N58 PolarHBondContact O-N 3.49Å; Q56-L59 PolarHBondContact O-N 3.23Å; Q56-D60 VanDerWaalsContact NE2-CG 3.3Å; Q56-D60 PolarHBondContact NE2-OD1 3.33Å; Q56-D60 PolarHBondContact NE2-OD2 2.97Å; Q56-D60 WeakPolarHBondContact O-CB 3.2Å; Q56-D60 VanDerWaalsContact O-CG 3.27Å; Q56-D60 PolarHBondContact O-N 3.36Å
57Y95.8Very high92.2Very high4 Ų442 Ų422%0.01621%0.212CC..Hα-helixtrans-56.6-48.7177.5177.8-93.4000111.6I22 A24 P25 F29 A53 A55 L59 D60 Q61I22-Y57 WeakPolarHBondContact O-CD2 3.31Å; A24-Y57 HydrophobicContact CB-CE2 3.99Å; A24-Y57 WeakPolarHBondContact O-CE2 3.41Å; P25-Y57 PolarHBondContact O-OH 3.33Å; F29-Y57 HydrophobicContact CB-CE1 3.82Å; F29-Y57 AromaticContact CD2-CD1 3.23Å; F29-Y57 HydrophobicContact CD2-CD1 3.23Å; F29-Y57 AromaticContact CD2-CD2 3.96Å; F29-Y57 HydrophobicContact CD2-CD2 3.96Å; F29-Y57 AromaticContact CD2-CE1 3.21Å; F29-Y57 HydrophobicContact CD2-CE1 3.21Å; F29-Y57 AromaticContact CD2-CE2 3.95Å; F29-Y57 HydrophobicContact CD2-CE2 3.95Å; F29-Y57 AromaticContact CD2-CG 3.62Å; F29-Y57 HydrophobicContact CD2-CG 3.62Å; F29-Y57 AromaticContact CD2-CZ 3.58Å; F29-Y57 AromaticContact CE2-CD1 3.4Å; F29-Y57 HydrophobicContact CE2-CD1 3.4Å; F29-Y57 HydrophobicContact CE2-CD2 4.17Å; F29-Y57 AromaticContact CE2-CE1 3.9Å; F29-Y57 HydrophobicContact CE2-CE1 3.9Å; F29-Y57 AromaticContact CE2-CG 3.54Å; F29-Y57 HydrophobicContact CE2-CG 3.54Å; F29-Y57 HydrophobicContact CG-CD1 4.03Å; F29-Y57 AromaticContact CG-CE1 3.69Å; F29-Y57 HydrophobicContact CG-CE1 3.69Å; F29-Y57 HydrophobicContact CZ-CD1 4.33Å; A53-Y57 VanDerWaalsContact O-CB 3.23Å; A53-Y57 WeakPolarHBondContact O-CB 3.36Å; A53-Y57 PolarHBondContact O-N 2.89Å; A55-Y57 PolarHBondContact O-N 2.93Å; Y57-L59 VanDerWaalsContact C-N 3.33Å; Y57-L59 PolarHBondContact O-N 3.38Å; Y57-D60 PolarHBondContact O-N 2.99Å; Y57-Q61 HydrophobicContact CD1-CG 4.2Å; Y57-Q61 HydrophobicContact CD2-CG 3.95Å; Y57-Q61 HydrophobicContact CE1-CB 4.49Å; Y57-Q61 HydrophobicContact CE1-CG 3.92Å; Y57-Q61 HydrophobicContact CE2-CG 3.64Å; Y57-Q61 HydrophobicContact CG-CG 4.22Å; Y57-Q61 WeakPolarHBondContact O-CB 2.96Å; Y57-Q61 WeakPolarHBondContact O-CG 3.44Å; Y57-Q61 PolarHBondContact O-N 3.43Å
58N95.9Very high92.7Very high0 Ų042.9 Ų42.90%022%0.222CC..Hα-helixtrans-65.4-38.1-176.9-73.2-34.5000112.3F54 A55 Q56 F62 T63 I76 F98 H100 K103F54-N58 WeakPolarHBondContact O-CB 3.12Å; F54-N58 VanDerWaalsContact O-CG 3.28Å; F54-N58 PolarHBondContact O-N 2.99Å; F54-N58 PolarHBondContact O-ND2 2.91Å; F54-N58 VanDerWaalsContact O-ND2 3.08Å; A55-N58 PolarHBondContact O-N 3.42Å; Q56-N58 VanDerWaalsContact C-N 3.34Å; Q56-N58 PolarHBondContact O-N 3.49Å; N58-F62 PolarHBondContact O-N 3.28Å; N58-T63 WeakPolarHBondContact CA-OG1 3.47Å; N58-T63 PolarHBondContact O-N 3.1Å; N58-T63 VanDerWaalsContact O-N 3.1Å; N58-T63 PolarHBondContact O-OG1 3.45Å; N58-T63 PolarHBondContact OD1-OG1 3.29Å; N58-I76 HydrophobicContact CB-CG2 4.44Å; N58-F98 HydrophobicContact CB-CE1 4.14Å; N58-H100 WeakPolarHBondContact ND2-CA 3.46Å; N58-H100 WeakPolarHBondContact ND2-CB 3.27Å; N58-H100 PolarHBondContact ND2-ND1 2.71Å; N58-H100 PolarHBondContact ND2-O 3.32Å; N58-K103 WeakPolarHBondContact OD1-CE 3.32Å
59L96.3Very high93.3Very high24 Ų2439.7 Ų39.713%0.12623%0.229CC..Hα-helixtrans-66.7-49.4175.9-65.5167.9000111.3A55 Q56 Y57 Q61 F62 I76 T77A55-L59 VanDerWaalsContact O-CG 3.23Å; A55-L59 WeakPolarHBondContact O-CG 3.5Å; A55-L59 PolarHBondContact O-N 3.4Å; Q56-L59 PolarHBondContact O-N 3.23Å; Y57-L59 VanDerWaalsContact C-N 3.33Å; Y57-L59 PolarHBondContact O-N 3.38Å; L59-Q61 PolarHBondContact O-N 2.9Å; L59-F62 VanDerWaalsContact O-CD1 3.28Å; L59-F62 WeakPolarHBondContact O-CD1 3.46Å; L59-F62 PolarHBondContact O-N 3.19Å; L59-I76 HydrophobicContact CD2-CG2 3.77Å; L59-I76 HydrophobicContact CG-CG2 4.45Å; L59-T77 WeakPolarHBondContact CD2-O 3.33Å
60D96Very high94Very high69 Ų6942.1 Ų42.137%0.36923%0.233SC..Hα-helixtrans-62.7-35.6-179.6-72.6-18.3000111.5Q56 Y57 F62 R174Q56-D60 VanDerWaalsContact NE2-CG 3.3Å; Q56-D60 PolarHBondContact NE2-OD1 3.33Å; Q56-D60 PolarHBondContact NE2-OD2 2.97Å; Q56-D60 WeakPolarHBondContact O-CB 3.2Å; Q56-D60 VanDerWaalsContact O-CG 3.27Å; Q56-D60 PolarHBondContact O-N 3.36Å; Y57-D60 PolarHBondContact O-N 2.99Å; D60-F62 VanDerWaalsContact C-N 3.29Å; D60-F62 PolarHBondContact O-N 3Å; D60-R174 WeakPolarHBondContact O-CD 3.16Å; D60-R174 PolarHBondContact O-NH1 3.45Å
61Q97.3Very high94.3Very high11 Ų1150.9 Ų50.95%0.05127%0.274CS..THydrogen-bonded Turntrans-84-0-176-66.2-64.6-3000114.1Y57 L59 T63 R172Y57-Q61 HydrophobicContact CD1-CG 4.2Å; Y57-Q61 HydrophobicContact CD2-CG 3.95Å; Y57-Q61 HydrophobicContact CE1-CB 4.49Å; Y57-Q61 HydrophobicContact CE1-CG 3.92Å; Y57-Q61 HydrophobicContact CE2-CG 3.64Å; Y57-Q61 HydrophobicContact CG-CG 4.22Å; Y57-Q61 WeakPolarHBondContact O-CB 2.96Å; Y57-Q61 WeakPolarHBondContact O-CG 3.44Å; Y57-Q61 PolarHBondContact O-N 3.43Å; L59-Q61 PolarHBondContact O-N 2.9Å; Q61-T63 VanDerWaalsContact C-N 3.28Å; Q61-T63 PolarHBondContact O-N 3.46Å; Q61-R172 VanDerWaalsContact OE1-CD 3.3Å
62F98.2Very high94.6Very high19 Ų1951.7 Ų51.78%0.08327%0.268CS..THydrogen-bonded Turntrans49.450.8-174.3-66.9-5.9000111.3N58 L59 D60 P64 L75 I76 T77 C157 E159 R174 E176N58-F62 PolarHBondContact O-N 3.28Å; L59-F62 VanDerWaalsContact O-CD1 3.28Å; L59-F62 WeakPolarHBondContact O-CD1 3.46Å; L59-F62 PolarHBondContact O-N 3.19Å; D60-F62 VanDerWaalsContact C-N 3.29Å; D60-F62 PolarHBondContact O-N 3Å; F62-P64 VanDerWaalsContact O-CD 3.27Å; F62-P64 WeakPolarHBondContact O-CD 3.21Å; F62-P64 VanDerWaalsContact O-N 3.13Å; F62-L75 HydrophobicContact CB-CD1 4.37Å; F62-L75 WeakPolarHBondContact O-CD2 3.2Å; F62-I76 WeakPolarHBondContact CA-O 3.37Å; F62-T77 HydrophobicContact CB-CG2 4.45Å; F62-T77 HydrophobicContact CD1-CG2 3.49Å; F62-T77 VanDerWaalsContact CD1-CG2 3.49Å; F62-T77 HydrophobicContact CE1-CG2 3.83Å; F62-T77 HydrophobicContact CG-CG2 4Å; F62-C157 HydrophobicContact CD2-CB 4.02Å; F62-C157 HydrophobicContact CE2-CB 3.77Å; F62-C157 HydrophobicContact CZ-CB 4.19Å; F62-E159 HydrophobicContact CB-CB 3.95Å; F62-E159 HydrophobicContact CB-CG 4.08Å; F62-R174 HydrophobicContact CB-CG 4.38Å; F62-R174 HydrophobicContact CD2-CB 4.09Å; F62-R174 HydrophobicContact CD2-CG 4.2Å; F62-R174 HydrophobicContact CE2-CB 4.45Å; F62-R174 HydrophobicContact CG-CG 4.45Å; F62-E176 HydrophobicContact CE2-CB 4.17Å; F62-E176 HydrophobicContact CZ-CB 4Å
63T97.7Very high95Very high11 Ų1150.2 Ų50.27%0.06726%0.262CS..EExtended strand (participates in β ladder)trans-60.6119.4-171.2-60.10000110.2N58 Q61 I76N58-T63 WeakPolarHBondContact CA-OG1 3.47Å; N58-T63 PolarHBondContact O-N 3.1Å; N58-T63 VanDerWaalsContact O-N 3.1Å; N58-T63 PolarHBondContact O-OG1 3.45Å; N58-T63 PolarHBondContact OD1-OG1 3.29Å; Q61-T63 VanDerWaalsContact C-N 3.28Å; Q61-T63 PolarHBondContact O-N 3.46Å; T63-I76 WeakPolarHBondContact O-CG1 3.46Å; T63-I76 PolarHBondContact O-N 2.68Å
64P97.7Very high95.3Very high21 Ų2150.3 Ų50.314%0.13626%0.262CS..EExtended strand (participates in β ladder)trans-74.3133.6175.828.7-32000109.8F62 Q73 L75 V140F62-P64 VanDerWaalsContact O-CD 3.27Å; F62-P64 WeakPolarHBondContact O-CD 3.21Å; F62-P64 VanDerWaalsContact O-N 3.13Å; P64-Q73 HydrophobicContact CB-CB 4.46Å; P64-L75 HydrophobicContact CB-CD2 4.03Å; P64-V140 HydrophobicContact CB-CB 4.28Å; P64-V140 HydrophobicContact CB-CG1 4.24Å; P64-V140 HydrophobicContact CB-CG2 4.06Å
65V97.6Very high95.7Very high8 Ų849.7 Ų49.75%0.04826%0.26CS..EExtended strand (participates in β ladder)trans-126.1142.9174.569.50000110.7Q73 V74 I76 F96 F98 A105V65-Q73 VanDerWaalsContact O-CA 3.31Å; V65-Q73 WeakPolarHBondContact O-CA 3.38Å; V65-Q73 WeakPolarHBondContact O-CB 3.38Å; V65-V74 HydrophobicContact CG1-CG1 3.6Å; V65-V74 PolarHBondContact N-O 3.29Å; V65-V74 PolarHBondContact O-N 2.97Å; V65-I76 HydrophobicContact CB-CD1 4.49Å; V65-I76 HydrophobicContact CB-CG1 4.46Å; V65-I76 HydrophobicContact CG1-CD1 3.63Å; V65-I76 HydrophobicContact CG1-CG1 4.05Å; V65-F96 HydrophobicContact CG1-CE2 3.87Å; V65-F96 HydrophobicContact CG1-CZ 3.82Å; V65-F98 HydrophobicContact CB-CD2 4.4Å; V65-F98 HydrophobicContact CB-CE2 3.93Å; V65-F98 HydrophobicContact CG1-CD2 4.39Å; V65-F98 HydrophobicContact CG1-CE2 4.35Å; V65-F98 HydrophobicContact CG2-CD2 4.11Å; V65-F98 HydrophobicContact CG2-CE2 3.77Å; V65-A105 HydrophobicContact CG1-CB 4.47Å; V65-A105 HydrophobicContact CG2-CB 3.71Å
66K97.1Very high96Very high101 Ų10148.6 Ų48.644%0.43925%0.25SS..EExtended strand (participates in β ladder)trans-94.8122.3172.5-18064.6164.5-177.40109Y70 E71 Q73K66-Y70 WeakPolarHBondContact CE-O 3.23Å; K66-Y70 PolarHBondContact NZ-O 2.82Å; K66-E71 VanDerWaalsContact NZ-CA 3.35Å; K66-E71 PolarHBondContact NZ-O 3.15Å; K66-Q73 HydrophobicContact CB-CG 4.24Å; K66-Q73 HydrophobicContact CD-CG 4.36Å
67V96.9Very high96.2Very high2 Ų244.5 Ų44.51%0.01223%0.231CC..PPolyproline II helixtrans-90.4130.1171.9-171.10000108.7G69 Y70 V74 I94 F96 A105 P108V67-G69 PolarHBondContact O-N 3.38Å; V67-Y70 HydrophobicContact CB-CD2 3.97Å; V67-Y70 HydrophobicContact CG1-CD2 3.71Å; V67-Y70 HydrophobicContact CG1-CE2 4.16Å; V67-Y70 PolarHBondContact O-N 3.48Å; V67-V74 HydrophobicContact CG2-CG1 4.04Å; V67-I94 HydrophobicContact CG1-CD1 4.21Å; V67-F96 HydrophobicContact CG2-CD1 3.87Å; V67-F96 HydrophobicContact CG2-CD2 4.39Å; V67-F96 HydrophobicContact CG2-CE1 3.95Å; V67-F96 HydrophobicContact CG2-CE2 4.44Å; V67-F96 HydrophobicContact CG2-CG 4.11Å; V67-F96 HydrophobicContact CG2-CZ 4.24Å; V67-A105 HydrophobicContact CB-CB 4.47Å; V67-A105 HydrophobicContact CG2-CB 3.95Å; V67-P108 HydrophobicContact CG1-CB 4.08Å; V67-P108 HydrophobicContact CG1-CG 4.47Å
68E94.1Very high96.2Very high177 Ų17750.2 Ų50.283%0.82726%0.258SS*.THydrogen-bonded Turntrans-59.9134.2177.4-170.2175.8-17300110.7Y70E68-Y70 WeakPolarHBondContact O-CD2 3.4Å
69G93.2Very high96.3Very high80 Ų8051.2 Ų51.283%0.82526%0.263SS*.THydrogen-bonded Turntrans87.5-5.5-176.900000115.6V67V67-G69 PolarHBondContact O-N 3.38Å
70Y94.4Very high96.3Very high70 Ų7050.1 Ų50.128%0.27526%0.257SS..  trans-117.2142.7178.3-63-87000110.9K66 V67 E68 N92 I94 P108K66-Y70 WeakPolarHBondContact CE-O 3.23Å; K66-Y70 PolarHBondContact NZ-O 2.82Å; V67-Y70 HydrophobicContact CB-CD2 3.97Å; V67-Y70 HydrophobicContact CG1-CD2 3.71Å; V67-Y70 HydrophobicContact CG1-CE2 4.16Å; V67-Y70 PolarHBondContact O-N 3.48Å; E68-Y70 WeakPolarHBondContact O-CD2 3.4Å; Y70-N92 HydrophobicContact CD1-CB 3.64Å; Y70-N92 HydrophobicContact CE1-CB 3.66Å; Y70-I94 HydrophobicContact CD1-CD1 4.32Å; Y70-I94 HydrophobicContact CD2-CD1 3.78Å; Y70-I94 HydrophobicContact CE1-CD1 3.95Å; Y70-I94 HydrophobicContact CE1-CG2 4.39Å; Y70-I94 HydrophobicContact CE2-CD1 3.37Å; Y70-I94 HydrophobicContact CG-CD1 4.24Å; Y70-I94 VanDerWaalsContact CZ-CD1 3.47Å; Y70-I94 VanDerWaalsContact OH-CG2 3.31Å; Y70-I94 WeakPolarHBondContact OH-CG2 3.43Å; Y70-P108 HydrophobicContact CE2-CB 4.26Å
71E90.2Very high96.2Very high184 Ų18450.6 Ų50.686%0.8626%0.26SS*.SBendtrans-77.7-34.3-173.1-70.6-167.4165.300114.2K66K66-E71 VanDerWaalsContact NZ-CA 3.35Å; K66-E71 PolarHBondContact NZ-O 3.15Å
72E92.3Very high96.1Very high72 Ų7253.5 Ų53.534%0.33628%0.275SS..SBendtrans-101158.7-175.6-65.4-178.2-167.700111.8K91 R129E72-K91 IonicContact OE1-NZ 2.97Å; E72-K91 PolarHBondContact OE1-NZ 3.4Å; E72-K91 WeakPolarHBondContact OE2-CE 3.31Å; E72-K91 IonicContact OE2-NZ 3.34Å; E72-K91 PolarHBondContact OE2-NZ 2.74Å; E72-R129 IonicContact OE2-CZ 3.41Å; E72-R129 IonicContact OE2-NE 3.42Å; E72-R129 PolarHBondContact OE2-NE 2.64Å; E72-R129 IonicContact OE2-NH1 3.79Å; E72-R129 PolarHBondContact OE2-NH1 2.81Å; E72-R129 IonicContact OE2-NH2 3.98Å
73Q96.9Very high95.8Very high80 Ų8053.9 Ų53.937%0.37429%0.285SS..EExtended strand (participates in β ladder)trans-85.4153171.4-69.7-179.1-43.200110.4P64 V65 K66 V140P64-Q73 HydrophobicContact CB-CB 4.46Å; V65-Q73 VanDerWaalsContact O-CA 3.31Å; V65-Q73 WeakPolarHBondContact O-CA 3.38Å; V65-Q73 WeakPolarHBondContact O-CB 3.38Å; K66-Q73 HydrophobicContact CB-CG 4.24Å; K66-Q73 HydrophobicContact CD-CG 4.36Å; Q73-V140 HydrophobicContact CB-CG1 3.78Å; Q73-V140 HydrophobicContact CB-CG2 4.17Å; Q73-V140 VanDerWaalsContact OE1-CG2 3.3Å
74V97.8Very high95.5Very high2 Ų261.5 Ų61.51%0.01233%0.325CS..EExtended strand (participates in β ladder)trans-119144.3174.961.70000109.2V65 V67 D89 F96 T142V65-V74 HydrophobicContact CG1-CG1 3.6Å; V65-V74 PolarHBondContact N-O 3.29Å; V65-V74 PolarHBondContact O-N 2.97Å; V67-V74 HydrophobicContact CG2-CG1 4.04Å; V74-D89 HydrophobicContact CB-CB 4.42Å; V74-D89 HydrophobicContact CG2-CB 4.04Å; V74-F96 HydrophobicContact CG1-CE1 3.64Å; V74-F96 HydrophobicContact CG1-CZ 3.53Å; V74-T142 HydrophobicContact CG2-CG2 3.95Å
75L98.5Very high95.2Very high0 Ų062.2 Ų62.20%034%0.336CS..EExtended strand (participates in β ladder)trans-86.3134.1179-58.2-179000110.5F62 P64 T77 V140 T142 Y144 C157 E159F62-L75 HydrophobicContact CB-CD1 4.37Å; F62-L75 WeakPolarHBondContact O-CD2 3.2Å; P64-L75 HydrophobicContact CB-CD2 4.03Å; L75-T77 HydrophobicContact CB-CG2 3.79Å; L75-T77 PolarHBondContact O-N 3.43Å; L75-V140 HydrophobicContact CD2-CB 3.76Å; L75-V140 HydrophobicContact CD2-CG1 3.49Å; L75-V140 VanDerWaalsContact CD2-CG1 3.49Å; L75-V140 HydrophobicContact CG-CG1 4.02Å; L75-T142 PolarHBondContact N-OG1 2.92Å; L75-Y144 PolarHBondContact O-OH 3.17Å; L75-Y144 VanDerWaalsContact O-OH 3.1Å; L75-C157 HydrophobicContact CD1-CB 3.76Å; L75-C157 VanDerWaalsContact CD1-O 3.3Å; L75-C157 WeakPolarHBondContact CD1-O 3.46Å; L75-E159 HydrophobicContact CD1-CB 4.27Å; L75-E159 HydrophobicContact CD2-CB 3.78Å
76I98.3Very high95.2Very high0 Ų063.5 Ų63.50%034%0.34CS..EExtended strand (participates in β ladder)trans-81.3108.7168.8-55.5-56.5000108.3N58 L59 F62 T63 V65 V87 F96 F98N58-I76 HydrophobicContact CB-CG2 4.44Å; L59-I76 HydrophobicContact CD2-CG2 3.77Å; L59-I76 HydrophobicContact CG-CG2 4.45Å; F62-I76 WeakPolarHBondContact CA-O 3.37Å; T63-I76 WeakPolarHBondContact O-CG1 3.46Å; T63-I76 PolarHBondContact O-N 2.68Å; V65-I76 HydrophobicContact CB-CD1 4.49Å; V65-I76 HydrophobicContact CB-CG1 4.46Å; V65-I76 HydrophobicContact CG1-CD1 3.63Å; V65-I76 HydrophobicContact CG1-CG1 4.05Å; I76-V87 HydrophobicContact CD1-CB 4.26Å; I76-V87 HydrophobicContact CD1-CG1 3.89Å; I76-V87 HydrophobicContact CD1-CG2 4.13Å; I76-F96 HydrophobicContact CD1-CE2 3.99Å; I76-F96 HydrophobicContact CD1-CZ 3.89Å; I76-F98 HydrophobicContact CB-CE1 4.45Å; I76-F98 HydrophobicContact CD1-CB 4.35Å; I76-F98 HydrophobicContact CD1-CD1 4.12Å; I76-F98 HydrophobicContact CD1-CD2 3.82Å; I76-F98 HydrophobicContact CD1-CE1 4.37Å; I76-F98 HydrophobicContact CD1-CE2 4.1Å; I76-F98 HydrophobicContact CD1-CG 3.82Å; I76-F98 HydrophobicContact CD1-CZ 4.37Å; I76-F98 HydrophobicContact CG1-CD1 4.08Å; I76-F98 HydrophobicContact CG1-CD2 4.1Å; I76-F98 HydrophobicContact CG1-CE1 3.85Å; I76-F98 HydrophobicContact CG1-CE2 3.88Å; I76-F98 HydrophobicContact CG1-CG 4.2Å; I76-F98 HydrophobicContact CG1-CZ 3.74Å; I76-F98 HydrophobicContact CG2-CD1 4.1Å; I76-F98 HydrophobicContact CG2-CE1 4.04Å
77T98.1Very high95.2Very high0 Ų058.9 Ų58.90%032%0.32CS..  trans-137.4161.3-179.478.40000110.3L59 F62 L75 H79 G80 D81 Y144 C157L59-T77 WeakPolarHBondContact CD2-O 3.33Å; F62-T77 HydrophobicContact CB-CG2 4.45Å; F62-T77 HydrophobicContact CD1-CG2 3.49Å; F62-T77 VanDerWaalsContact CD1-CG2 3.49Å; F62-T77 HydrophobicContact CE1-CG2 3.83Å; F62-T77 HydrophobicContact CG-CG2 4Å; L75-T77 HydrophobicContact CB-CG2 3.79Å; L75-T77 PolarHBondContact O-N 3.43Å; T77-H79 PolarHBondContact O-N 3.37Å; T77-H79 VanDerWaalsContact O-N 3.15Å; T77-H79 PolarHBondContact OG1-N 3.02Å; T77-G80 PolarHBondContact O-N 3.43Å; T77-G80 PolarHBondContact OG1-N 2.82Å; T77-D81 PolarHBondContact O-N 2.92Å; T77-Y144 HydrophobicContact CG2-CE2 4.47Å; T77-Y144 WeakPolarHBondContact OG1-CE2 3.44Å; T77-Y144 PolarHBondContact OG1-OH 2.71Å; T77-Y144 VanDerWaalsContact OG1-OH 3.06Å; T77-C157 HydrophobicContact CG2-CB 4.08Å
78E96.8Very high95.2Very high123 Ų12359.9 Ų59.958%0.57533%0.325SS*.G310 helixtrans-57.8-27.4173.865.7177.9158.800112.1G80 D81E78-G80 VanDerWaalsContact C-N 3.27Å; E78-G80 PolarHBondContact O-N 3.09Å; E78-D81 PolarHBondContact O-N 3.14Å
79H96.9Very high95.4Very high22 Ų2251.7 Ų51.710%0.10229%0.287CS..G310 helixtrans-71.3-25177.7-52.4-58000112.1T77 Y144 K146 I155 E176T77-H79 PolarHBondContact O-N 3.37Å; T77-H79 VanDerWaalsContact O-N 3.15Å; T77-H79 PolarHBondContact OG1-N 3.02Å; H79-Y144 HydrophobicContact CB-CD1 4.34Å; H79-Y144 HydrophobicContact CB-CD2 3.55Å; H79-Y144 HydrophobicContact CB-CE1 4.5Å; H79-Y144 HydrophobicContact CB-CE2 3.73Å; H79-Y144 HydrophobicContact CB-CG 3.86Å; H79-K146 VanDerWaalsContact C-NZ 3.34Å; H79-K146 VanDerWaalsContact CA-NZ 3.32Å; H79-K146 WeakPolarHBondContact O-CE 3.25Å; H79-K146 PolarHBondContact O-NZ 3.47Å; H79-I155 HydrophobicContact CB-CD1 4.44Å; H79-E176 IonicContact CD2-OE2 3.04Å; H79-E176 IonicContact CE1-OE2 2.64Å; H79-E176 VanDerWaalsContact NE2-CD 3.32Å; H79-E176 IonicContact NE2-OE1 2.99Å; H79-E176 IonicContact NE2-OE2 3.47Å; H79-E176 PolarHBondContact NE2-OE2 2.76Å
80G95.9Very high95.5Very high0 Ų048 Ų480%025%0.249CC..G310 helixtrans-87.2-9.6174.700000114.4T77 E78 L82 V87 L88T77-G80 PolarHBondContact O-N 3.43Å; T77-G80 PolarHBondContact OG1-N 2.82Å; E78-G80 VanDerWaalsContact C-N 3.27Å; E78-G80 PolarHBondContact O-N 3.09Å; G80-L82 PolarHBondContact O-N 2.9Å; G80-V87 CarbonylContact O-C 3.47Å; G80-V87 WeakPolarHBondContact O-CA 3.16Å; G80-L88 PolarHBondContact O-N 3.39Å
81D95.5Very high95.5Very high80 Ų8047.8 Ų47.843%0.42825%0.249SC..BIsolated β-bridgetrans-71.3119.9-173.4-170.48.8000111.9T77 E78 G83T77-D81 PolarHBondContact O-N 2.92Å; E78-D81 PolarHBondContact O-N 3.14Å; D81-G83 WeakPolarHBondContact OD1-CA 3.26Å; D81-G83 PolarHBondContact OD1-N 3.34Å
82L94.8Very high95.8Very high71 Ų7141.4 Ų41.437%0.37222%0.221SC..  trans-100.52.6175.6-62.4176.2000112.2G80 R86 L88G80-L82 PolarHBondContact O-N 2.9Å; L82-R86 HydrophobicContact CB-CB 4.28Å; L82-R86 PolarHBondContact N-O 3.42Å; L82-L88 HydrophobicContact CD1-CB 4.05Å; L82-L88 HydrophobicContact CD2-CB 4.22Å; L82-L88 HydrophobicContact CG-CB 4.08Å
83G92.3Very high96Very high28 Ų2842.3 Ų42.329%0.28922%0.224SC..SBendtrans76171.7-17100000113D81 G85 R86D81-G83 WeakPolarHBondContact OD1-CA 3.26Å; D81-G83 PolarHBondContact OD1-N 3.34Å; G83-G85 PolarHBondContact O-N 3.43Å; G83-G85 VanDerWaalsContact O-N 3.1Å; G83-R86 PolarHBondContact O-N 2.87Å
84N90.3Very high96Very high170 Ų17038.6 Ų38.691%0.90921%0.207SC*.THydrogen-bonded Turntrans53.930179.5-58.6-45.7000114.1R86N84-R86 VanDerWaalsContact C-N 3.29Å; N84-R86 PolarHBondContact O-N 3.03Å
85G92Very high96Very high36 Ų3638.8 Ų38.837%0.37121%0.208SC..THydrogen-bonded Turntrans70.620-179.900000114.5G83 K97 F98G83-G85 PolarHBondContact O-N 3.43Å; G83-G85 VanDerWaalsContact O-N 3.1Å; G85-K97 WeakPolarHBondContact O-CA 3.26Å; G85-F98 PolarHBondContact O-N 3.35Å; G85-F98 VanDerWaalsContact O-N 3.14Å
86R96.3Very high96Very high36 Ų3638.8 Ų38.814%0.13621%0.208CC..EExtended strand (participates in β ladder)trans-103.9141.6173.9-63.8-164.777.482.21.3111.5L82 G83 N84 S95 F96 K97 D107L82-R86 HydrophobicContact CB-CB 4.28Å; L82-R86 PolarHBondContact N-O 3.42Å; G83-R86 PolarHBondContact O-N 2.87Å; N84-R86 VanDerWaalsContact C-N 3.29Å; N84-R86 PolarHBondContact O-N 3.03Å; R86-S95 PolarHBondContact NE-OG 3.3Å; R86-S95 VanDerWaalsContact NH2-C 3.29Å; R86-S95 PolarHBondContact NH2-O 3.34Å; R86-S95 PolarHBondContact NH2-OG 2.64Å; R86-S95 VanDerWaalsContact NH2-OG 3.1Å; R86-F96 CarbonylContact C-O 3.57Å; R86-F96 VanDerWaalsContact CA-O 3.24Å; R86-F96 WeakPolarHBondContact CA-O 3.34Å; R86-K97 HydrophobicContact CG-CG 4.33Å; R86-D107 IonicContact CZ-OD2 2.8Å; R86-D107 IonicContact NH1-OD2 2.84Å; R86-D107 PolarHBondContact NH1-OD2 2.88Å; R86-D107 PolarHBondContact NH2-O 3.26Å
87V97.6Very high95.9Very high4 Ų443.7 Ų43.72%0.02423%0.229CC..EExtended strand (participates in β ladder)trans-123.1140.8179.8-175.90000109.5I76 G80 S95 F96 F98I76-V87 HydrophobicContact CD1-CB 4.26Å; I76-V87 HydrophobicContact CD1-CG1 3.89Å; I76-V87 HydrophobicContact CD1-CG2 4.13Å; G80-V87 CarbonylContact O-C 3.47Å; G80-V87 WeakPolarHBondContact O-CA 3.16Å; V87-S95 CarbonylContact O-C 3.38Å; V87-S95 WeakPolarHBondContact O-CA 3.47Å; V87-F96 HydrophobicContact CB-CE1 4.23Å; V87-F96 HydrophobicContact CB-CE2 4.07Å; V87-F96 HydrophobicContact CB-CZ 3.82Å; V87-F96 HydrophobicContact CG1-CE1 4.37Å; V87-F96 HydrophobicContact CG1-CZ 3.96Å; V87-F96 PolarHBondContact N-O 2.79Å; V87-F96 PolarHBondContact O-N 3.28Å; V87-F98 HydrophobicContact CG2-CB 3.99Å
88L97.4Very high95.9Very high22 Ų2244.1 Ų44.112%0.11523%0.231CC..EExtended strand (participates in β ladder)trans-82.6129.9176.7178.463.9000110.9G80 L82 P90 V113 Y144G80-L88 PolarHBondContact O-N 3.39Å; L82-L88 HydrophobicContact CD1-CB 4.05Å; L82-L88 HydrophobicContact CD2-CB 4.22Å; L82-L88 HydrophobicContact CG-CB 4.08Å; L88-P90 HydrophobicContact CD2-CB 4.34Å; L88-P90 HydrophobicContact CG-CB 4.37Å; L88-P90 WeakPolarHBondContact O-CD 3.39Å; L88-V113 HydrophobicContact CD1-CG1 4.06Å; L88-V113 HydrophobicContact CD2-CG1 4.45Å; L88-Y144 HydrophobicContact CD2-CD1 4.45Å
89D97.5Very high95.8Very high6 Ų641.5 Ų41.53%0.03222%0.221CC..EExtended strand (participates in β ladder)trans-103101.9157179.1-18000108.4V74 K91 N92 K93 I94 F96V74-D89 HydrophobicContact CB-CB 4.42Å; V74-D89 HydrophobicContact CG2-CB 4.04Å; D89-K91 VanDerWaalsContact C-N 3.31Å; D89-K91 PolarHBondContact O-N 3.44Å; D89-K91 PolarHBondContact OD1-N 2.98Å; D89-N92 PolarHBondContact OD1-N 3.41Å; D89-N92 PolarHBondContact OD2-ND2 3.31Å; D89-K93 PolarHBondContact O-N 3.07Å; D89-I94 HydrophobicContact CB-CD1 4.34Å; D89-I94 HydrophobicContact CB-CG1 3.69Å; D89-I94 PolarHBondContact N-O 2.85Å; D89-I94 PolarHBondContact O-N 2.79Å; D89-F96 HydrophobicContact CB-CE1 4.17Å
90P96.1Very high95.5Very high3 Ų342.4 Ų42.42%0.01923%0.225CC..THydrogen-bonded Turntrans-72.3-24-174.128.8-34.7000112.9L88 T142 I143 Y144L88-P90 HydrophobicContact CD2-CB 4.34Å; L88-P90 HydrophobicContact CG-CB 4.37Å; L88-P90 WeakPolarHBondContact O-CD 3.39Å; P90-T142 HydrophobicContact CG-CG2 3.68Å; P90-I143 WeakPolarHBondContact CB-O 3.29Å; P90-I143 WeakPolarHBondContact CG-O 3.33Å; P90-Y144 HydrophobicContact CG-CD1 3.9Å; P90-Y144 HydrophobicContact CG-CE1 4.07Å
91K94.9Very high95Very high64 Ų6446.7 Ų46.728%0.27825%0.248SC..THydrogen-bonded Turntrans-74.1-46.7179.6173.1168.4177.7166.90110.6E72 D89 K93 R129E72-K91 IonicContact OE1-NZ 2.97Å; E72-K91 PolarHBondContact OE1-NZ 3.4Å; E72-K91 WeakPolarHBondContact OE2-CE 3.31Å; E72-K91 IonicContact OE2-NZ 3.34Å; E72-K91 PolarHBondContact OE2-NZ 2.74Å; D89-K91 VanDerWaalsContact C-N 3.31Å; D89-K91 PolarHBondContact O-N 3.44Å; D89-K91 PolarHBondContact OD1-N 2.98Å; K91-K93 VanDerWaalsContact C-N 3.32Å; K91-R129 VanDerWaalsContact NZ-NE 3.2Å
92N95.7Very high94.7Very high51 Ų5150.7 Ų50.727%0.27326%0.257SS..THydrogen-bonded Turntrans-86.6-4.6-178.4-66.7-51.1000113.2Y70 D89 I94Y70-N92 HydrophobicContact CD1-CB 3.64Å; Y70-N92 HydrophobicContact CE1-CB 3.66Å; D89-N92 PolarHBondContact OD1-N 3.41Å; D89-N92 PolarHBondContact OD2-ND2 3.31Å; N92-I94 VanDerWaalsContact C-N 3.28Å; N92-I94 HydrophobicContact CB-CD1 4.16Å; N92-I94 HydrophobicContact CB-CG1 4.06Å; N92-I94 PolarHBondContact O-N 2.88Å
93K95.9Very high94.6Very high90 Ų9050.3 Ų50.339%0.39125%0.252SS..THydrogen-bonded Turntrans54.647-179.2-56.8-177.8-176-176.70111.5D89 K91 H111 V113 E118D89-K93 PolarHBondContact O-N 3.07Å; K91-K93 VanDerWaalsContact C-N 3.32Å; K93-H111 CarbonylContact C-O 3.58Å; K93-H111 PolarHBondContact O-N 3.38Å; K93-H111 VanDerWaalsContact O-O 3.1Å; K93-V113 HydrophobicContact CD-CG2 4.22Å; K93-V113 HydrophobicContact CG-CG2 4.18Å; K93-E118 WeakPolarHBondContact CE-OE1 3.13Å; K93-E118 IonicContact NZ-OE1 3.3Å; K93-E118 PolarHBondContact NZ-OE1 2.9Å
94I97.3Very high94.7Very high3 Ų353.5 Ų53.52%0.01526%0.26CS..EExtended strand (participates in β ladder)trans-128.9158.3177.364.1177.7000110.5V67 Y70 D89 N92 P108 R109V67-I94 HydrophobicContact CG1-CD1 4.21Å; Y70-I94 HydrophobicContact CD1-CD1 4.32Å; Y70-I94 HydrophobicContact CD2-CD1 3.78Å; Y70-I94 HydrophobicContact CE1-CD1 3.95Å; Y70-I94 HydrophobicContact CE1-CG2 4.39Å; Y70-I94 HydrophobicContact CE2-CD1 3.37Å; Y70-I94 HydrophobicContact CG-CD1 4.24Å; Y70-I94 VanDerWaalsContact CZ-CD1 3.47Å; Y70-I94 VanDerWaalsContact OH-CG2 3.31Å; Y70-I94 WeakPolarHBondContact OH-CG2 3.43Å; D89-I94 HydrophobicContact CB-CD1 4.34Å; D89-I94 HydrophobicContact CB-CG1 3.69Å; D89-I94 PolarHBondContact N-O 2.85Å; D89-I94 PolarHBondContact O-N 2.79Å; N92-I94 VanDerWaalsContact C-N 3.28Å; N92-I94 HydrophobicContact CB-CD1 4.16Å; N92-I94 HydrophobicContact CB-CG1 4.06Å; N92-I94 PolarHBondContact O-N 2.88Å; I94-P108 HydrophobicContact CD1-CB 4.19Å; I94-R109 CarbonylContact C-O 3.3Å; I94-R109 WeakPolarHBondContact CA-O 3.23Å; I94-R109 VanDerWaalsContact CB-O 3.32Å; I94-R109 WeakPolarHBondContact CB-O 3.39Å
95S97.7Very high95.1Very high6 Ų646.4 Ų46.44%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-114.4150.5159.765.60000109.2R86 V87 P108 R109R86-S95 PolarHBondContact NE-OG 3.3Å; R86-S95 VanDerWaalsContact NH2-C 3.29Å; R86-S95 PolarHBondContact NH2-O 3.34Å; R86-S95 PolarHBondContact NH2-OG 2.64Å; R86-S95 VanDerWaalsContact NH2-OG 3.1Å; V87-S95 CarbonylContact O-C 3.38Å; V87-S95 WeakPolarHBondContact O-CA 3.47Å; S95-P108 CarbonylContact O-C 3.57Å; S95-P108 WeakPolarHBondContact O-CA 3.35Å; S95-R109 PolarHBondContact N-O 3.4Å; S95-R109 PolarHBondContact O-N 3.48Å
96F98.1Very high95.3Very high0 Ų047.6 Ų47.60%023%0.227CC..EExtended strand (participates in β ladder)trans-138.9159.2175.759-86000109.9V65 V67 V74 I76 R86 V87 D89 F98 A105 S106 P108V65-F96 HydrophobicContact CG1-CE2 3.87Å; V65-F96 HydrophobicContact CG1-CZ 3.82Å; V67-F96 HydrophobicContact CG2-CD1 3.87Å; V67-F96 HydrophobicContact CG2-CD2 4.39Å; V67-F96 HydrophobicContact CG2-CE1 3.95Å; V67-F96 HydrophobicContact CG2-CE2 4.44Å; V67-F96 HydrophobicContact CG2-CG 4.11Å; V67-F96 HydrophobicContact CG2-CZ 4.24Å; V74-F96 HydrophobicContact CG1-CE1 3.64Å; V74-F96 HydrophobicContact CG1-CZ 3.53Å; I76-F96 HydrophobicContact CD1-CE2 3.99Å; I76-F96 HydrophobicContact CD1-CZ 3.89Å; R86-F96 CarbonylContact C-O 3.57Å; R86-F96 VanDerWaalsContact CA-O 3.24Å; R86-F96 WeakPolarHBondContact CA-O 3.34Å; V87-F96 HydrophobicContact CB-CE1 4.23Å; V87-F96 HydrophobicContact CB-CE2 4.07Å; V87-F96 HydrophobicContact CB-CZ 3.82Å; V87-F96 HydrophobicContact CG1-CE1 4.37Å; V87-F96 HydrophobicContact CG1-CZ 3.96Å; V87-F96 PolarHBondContact N-O 2.79Å; V87-F96 PolarHBondContact O-N 3.28Å; D89-F96 HydrophobicContact CB-CE1 4.17Å; F96-F98 HydrophobicContact CE2-CB 4.15Å; F96-F98 HydrophobicContact CE2-CD2 4.33Å; F96-A105 HydrophobicContact CD2-CB 3.46Å; F96-A105 VanDerWaalsContact CD2-CB 3.46Å; F96-A105 HydrophobicContact CE2-CB 3.76Å; F96-A105 HydrophobicContact CG-CB 4.25Å; F96-S106 WeakPolarHBondContact CB-O 3.44Å; F96-P108 HydrophobicContact CB-CB 4.49Å
97K97.8Very high95.4Very high102 Ų10248.6 Ų48.644%0.44324%0.235SC..EExtended strand (participates in β ladder)trans-80.6137.1169.7-68.8-171.7177.4-174.70109.7G85 R86 A105 S106 D107G85-K97 WeakPolarHBondContact O-CA 3.26Å; R86-K97 HydrophobicContact CG-CG 4.33Å; K97-A105 CarbonylContact O-C 3.56Å; K97-A105 WeakPolarHBondContact O-CA 3.3Å; K97-S106 PolarHBondContact N-O 3.29Å; K97-S106 PolarHBondContact O-N 2.94Å; K97-D107 HydrophobicContact CD-CB 4.39Å; K97-D107 HydrophobicContact CG-CB 4.33Å
98F97.3Very high95.4Very high10 Ų1051.2 Ų51.24%0.04425%0.253CS..EExtended strand (participates in β ladder)trans-116.5119.6175.5-174.2-111.7000110.7N58 V65 I76 G85 V87 F96 H100 K103N58-F98 HydrophobicContact CB-CE1 4.14Å; V65-F98 HydrophobicContact CB-CD2 4.4Å; V65-F98 HydrophobicContact CB-CE2 3.93Å; V65-F98 HydrophobicContact CG1-CD2 4.39Å; V65-F98 HydrophobicContact CG1-CE2 4.35Å; V65-F98 HydrophobicContact CG2-CD2 4.11Å; V65-F98 HydrophobicContact CG2-CE2 3.77Å; I76-F98 HydrophobicContact CB-CE1 4.45Å; I76-F98 HydrophobicContact CD1-CB 4.35Å; I76-F98 HydrophobicContact CD1-CD1 4.12Å; I76-F98 HydrophobicContact CD1-CD2 3.82Å; I76-F98 HydrophobicContact CD1-CE1 4.37Å; I76-F98 HydrophobicContact CD1-CE2 4.1Å; I76-F98 HydrophobicContact CD1-CG 3.82Å; I76-F98 HydrophobicContact CD1-CZ 4.37Å; I76-F98 HydrophobicContact CG1-CD1 4.08Å; I76-F98 HydrophobicContact CG1-CD2 4.1Å; I76-F98 HydrophobicContact CG1-CE1 3.85Å; I76-F98 HydrophobicContact CG1-CE2 3.88Å; I76-F98 HydrophobicContact CG1-CG 4.2Å; I76-F98 HydrophobicContact CG1-CZ 3.74Å; I76-F98 HydrophobicContact CG2-CD1 4.1Å; I76-F98 HydrophobicContact CG2-CE1 4.04Å; G85-F98 PolarHBondContact O-N 3.35Å; G85-F98 VanDerWaalsContact O-N 3.14Å; V87-F98 HydrophobicContact CG2-CB 3.99Å; F96-F98 HydrophobicContact CE2-CB 4.15Å; F96-F98 HydrophobicContact CE2-CD2 4.33Å; F98-H100 AromaticContact CD1-CE1 3.56Å; F98-H100 AromaticContact CD1-CG 3.8Å; F98-H100 AromaticContact CD1-ND1 3.41Å; F98-H100 WeakPolarHBondContact CD1-ND1 3.39Å; F98-H100 AromaticContact CD1-NE2 3.97Å; F98-H100 HydrophobicContact CE1-CB 4.44Å; F98-H100 AromaticContact CE1-CE1 3.93Å; F98-H100 AromaticContact CE1-CG 3.94Å; F98-H100 AromaticContact CE1-ND1 3.39Å; F98-H100 WeakPolarHBondContact CE1-ND1 3.41Å; F98-H100 PolarHBondContact O-N 2.89Å; F98-K103 HydrophobicContact CZ-CB 4.18Å; F98-K103 HydrophobicContact CZ-CG 4.41Å
99D93.9Very high95.3Very high67 Ų6756.4 Ų56.436%0.35827%0.271SS..EExtended strand (participates in β ladder)trans-84.1105.7171.4-175.2-36.2000108.6L101 R102 K103 E104D99-L101 PolarHBondContact O-N 3.3Å; D99-L101 WeakPolarHBondContact OD1-CA 3.42Å; D99-L101 WeakPolarHBondContact OD1-CB 3.43Å; D99-L101 PolarHBondContact OD1-N 2.9Å; D99-R102 HydrophobicContact CB-CB 4.17Å; D99-R102 PolarHBondContact O-N 2.85Å; D99-R102 PolarHBondContact OD1-N 3.32Å; D99-R102 VanDerWaalsContact OD2-CD 3.27Å; D99-R102 WeakPolarHBondContact OD2-CD 3.38Å; D99-R102 WeakPolarHBondContact OD2-CG 3.4Å; D99-K103 WeakPolarHBondContact O-CA 3.12Å; D99-K103 PolarHBondContact O-N 2.95Å; D99-E104 PolarHBondContact N-O 2.85Å; D99-E104 PolarHBondContact O-N 2.92Å
100H91.8Very high95.3Very high41 Ų4161.9 Ų61.919%0.1931%0.306CS..THydrogen-bonded Turntrans-66.9-20.6-177.6-69.3-83.3000114F54 A55 N58 F98F54-H100 HydrophobicContact CB-CB 3.95Å; A55-H100 WeakPolarHBondContact CA-ND1 3.41Å; N58-H100 WeakPolarHBondContact ND2-CA 3.46Å; N58-H100 WeakPolarHBondContact ND2-CB 3.27Å; N58-H100 PolarHBondContact ND2-ND1 2.71Å; N58-H100 PolarHBondContact ND2-O 3.32Å; F98-H100 AromaticContact CD1-CE1 3.56Å; F98-H100 AromaticContact CD1-CG 3.8Å; F98-H100 AromaticContact CD1-ND1 3.41Å; F98-H100 WeakPolarHBondContact CD1-ND1 3.39Å; F98-H100 AromaticContact CD1-NE2 3.97Å; F98-H100 HydrophobicContact CE1-CB 4.44Å; F98-H100 AromaticContact CE1-CE1 3.93Å; F98-H100 AromaticContact CE1-CG 3.94Å; F98-H100 AromaticContact CE1-ND1 3.39Å; F98-H100 WeakPolarHBondContact CE1-ND1 3.41Å; F98-H100 PolarHBondContact O-N 2.89Å
101L85.6Confident95.2Very high91 Ų9164.9 Ų64.948%0.47632%0.32SS..THydrogen-bonded Turntrans-82.1-47.8177.6-176.467.6000110.4F33 F54 D99F33-L101 HydrophobicContact CE1-CD1 4.18Å; F33-L101 HydrophobicContact CZ-CD1 4.06Å; F54-L101 HydrophobicContact CD1-CD1 3.91Å; F54-L101 HydrophobicContact CE1-CD1 3.66Å; F54-L101 HydrophobicContact CZ-CD1 4.31Å; D99-L101 PolarHBondContact O-N 3.3Å; D99-L101 WeakPolarHBondContact OD1-CA 3.42Å; D99-L101 WeakPolarHBondContact OD1-CB 3.43Å; D99-L101 PolarHBondContact OD1-N 2.9Å
102R88.8Confident94.9Very high164 Ų16469.3 Ų69.362%0.61935%0.347SS*.THydrogen-bonded Turntrans-82.1-18.6-179-59.8178.567.9123.54.9113.2D99 E104D99-R102 HydrophobicContact CB-CB 4.17Å; D99-R102 PolarHBondContact O-N 2.85Å; D99-R102 PolarHBondContact OD1-N 3.32Å; D99-R102 VanDerWaalsContact OD2-CD 3.27Å; D99-R102 WeakPolarHBondContact OD2-CD 3.38Å; D99-R102 WeakPolarHBondContact OD2-CG 3.4Å; R102-E104 VanDerWaalsContact C-N 3.25Å; R102-E104 HydrophobicContact CB-CB 4.23Å; R102-E104 HydrophobicContact CB-CG 4.06Å; R102-E104 IonicContact CZ-OE2 3.45Å; R102-E104 IonicContact NE-OE1 3.37Å; R102-E104 IonicContact NE-OE2 2.71Å; R102-E104 PolarHBondContact NE-OE2 2.96Å; R102-E104 IonicContact NH2-OE1 3.92Å; R102-E104 IonicContact NH2-OE2 3.24Å; R102-E104 PolarHBondContact NH2-OE2 3.47Å; R102-E104 PolarHBondContact O-N 3.24Å
103K92.8Very high94.4Very high62 Ų6268.6 Ų68.627%0.2734%0.344SS..THydrogen-bonded Turntrans57.138.7-172-59.3174.5-179.7168.50112.3F29 N58 F98 D99F29-K103 VanDerWaalsContact CD1-NZ 3.34Å; N58-K103 WeakPolarHBondContact OD1-CE 3.32Å; F98-K103 HydrophobicContact CZ-CB 4.18Å; F98-K103 HydrophobicContact CZ-CG 4.41Å; D99-K103 WeakPolarHBondContact O-CA 3.12Å; D99-K103 PolarHBondContact O-N 2.95Å
104E95Very high93.8Very high96 Ų9668 Ų6845%0.44935%0.346SS..EExtended strand (participates in β ladder)trans-113.6136.9-177-72.6172.3170.600110.5D99 R102D99-E104 PolarHBondContact N-O 2.85Å; D99-E104 PolarHBondContact O-N 2.92Å; R102-E104 VanDerWaalsContact C-N 3.25Å; R102-E104 HydrophobicContact CB-CB 4.23Å; R102-E104 HydrophobicContact CB-CG 4.06Å; R102-E104 IonicContact CZ-OE2 3.45Å; R102-E104 IonicContact NE-OE1 3.37Å; R102-E104 IonicContact NE-OE2 2.71Å; R102-E104 PolarHBondContact NE-OE2 2.96Å; R102-E104 IonicContact NH2-OE1 3.92Å; R102-E104 IonicContact NH2-OE2 3.24Å; R102-E104 PolarHBondContact NH2-OE2 3.47Å; R102-E104 PolarHBondContact O-N 3.24Å
105A97.4Very high93.3Very high21 Ų2170.9 Ų70.917%0.17438%0.375CS..EExtended strand (participates in β ladder)trans-91.7141.1171.700000110.6V65 V67 F96 K97V65-A105 HydrophobicContact CG1-CB 4.47Å; V65-A105 HydrophobicContact CG2-CB 3.71Å; V67-A105 HydrophobicContact CB-CB 4.47Å; V67-A105 HydrophobicContact CG2-CB 3.95Å; F96-A105 HydrophobicContact CD2-CB 3.46Å; F96-A105 VanDerWaalsContact CD2-CB 3.46Å; F96-A105 HydrophobicContact CE2-CB 3.76Å; F96-A105 HydrophobicContact CG-CB 4.25Å; K97-A105 CarbonylContact O-C 3.56Å; K97-A105 WeakPolarHBondContact O-CA 3.3Å
106S97.5Very high92.9Very high60 Ų6073.6 Ų73.642%0.4239%0.394SS..EExtended strand (participates in β ladder)trans-150.1168.5178.862.10000112.3F96 K97F96-S106 WeakPolarHBondContact CB-O 3.44Å; K97-S106 PolarHBondContact N-O 3.29Å; K97-S106 PolarHBondContact O-N 2.94Å
107D97.1Very high92.5Very high57 Ų5773.8 Ų73.831%0.30540%0.395SS..EExtended strand (participates in β ladder)trans51.354.5175.1179.747.7000113.4R86 K97 R109R86-D107 IonicContact CZ-OD2 2.8Å; R86-D107 IonicContact NH1-OD2 2.84Å; R86-D107 PolarHBondContact NH1-OD2 2.88Å; R86-D107 PolarHBondContact NH2-O 3.26Å; K97-D107 HydrophobicContact CD-CB 4.39Å; K97-D107 HydrophobicContact CG-CB 4.33Å; D107-R109 VanDerWaalsContact CG-NE 3.34Å; D107-R109 VanDerWaalsContact CG-NH2 3.35Å; D107-R109 IonicContact OD1-CZ 3.6Å; D107-R109 IonicContact OD1-NE 3.64Å; D107-R109 PolarHBondContact OD1-NE 2.94Å; D107-R109 IonicContact OD1-NH2 2.79Å; D107-R109 PolarHBondContact OD1-NH2 3.27Å; D107-R109 IonicContact OD2-CZ 3.57Å; D107-R109 VanDerWaalsContact OD2-CZ 3.3Å; D107-R109 IonicContact OD2-NE 3.98Å; D107-R109 PolarHBondContact OD2-NE 2.9Å; D107-R109 VanDerWaalsContact OD2-NE 3.15Å; D107-R109 IonicContact OD2-NH2 3.48Å; D107-R109 PolarHBondContact OD2-NH2 2.88Å
108P97.4Very high92.4Very high60 Ų6070.5 Ų70.539%0.3938%0.382SS..EExtended strand (participates in β ladder)trans-65.9134.3175.629.7-34.3000110.1V67 Y70 I94 S95 F96V67-P108 HydrophobicContact CG1-CB 4.08Å; V67-P108 HydrophobicContact CG1-CG 4.47Å; Y70-P108 HydrophobicContact CE2-CB 4.26Å; I94-P108 HydrophobicContact CD1-CB 4.19Å; S95-P108 CarbonylContact O-C 3.57Å; S95-P108 WeakPolarHBondContact O-CA 3.35Å; F96-P108 HydrophobicContact CB-CB 4.49Å
109R96.7Very high92.3Very high131 Ų13171.3 Ų71.349%0.49439%0.393SS..EExtended strand (participates in β ladder)trans-137.3142.2-179.9-62.4179.7-171.8-168.3-1.3109.6I94 S95 D107 H111I94-R109 CarbonylContact C-O 3.3Å; I94-R109 WeakPolarHBondContact CA-O 3.23Å; I94-R109 VanDerWaalsContact CB-O 3.32Å; I94-R109 WeakPolarHBondContact CB-O 3.39Å; S95-R109 PolarHBondContact N-O 3.4Å; S95-R109 PolarHBondContact O-N 3.48Å; D107-R109 VanDerWaalsContact CG-NE 3.34Å; D107-R109 VanDerWaalsContact CG-NH2 3.35Å; D107-R109 IonicContact OD1-CZ 3.6Å; D107-R109 IonicContact OD1-NE 3.64Å; D107-R109 PolarHBondContact OD1-NE 2.94Å; D107-R109 IonicContact OD1-NH2 2.79Å; D107-R109 PolarHBondContact OD1-NH2 3.27Å; D107-R109 IonicContact OD2-CZ 3.57Å; D107-R109 VanDerWaalsContact OD2-CZ 3.3Å; D107-R109 IonicContact OD2-NE 3.98Å; D107-R109 PolarHBondContact OD2-NE 2.9Å; D107-R109 VanDerWaalsContact OD2-NE 3.15Å; D107-R109 IonicContact OD2-NH2 3.48Å; D107-R109 PolarHBondContact OD2-NH2 2.88Å; R109-H111 PolarHBondContact O-N 2.96Å
110P96.9Very high92.4Very high121 Ų12169.9 Ų69.979%0.78638%0.382SS*.EExtended strand (participates in β ladder)trans-50137.3169.1-25.834.8000111
111H94.4Very high92.7Very high65 Ų6568.4 Ų68.430%0.30138%0.375SS..  trans-141.6122.6177.4-170.986.6000109K93 R109K93-H111 CarbonylContact C-O 3.58Å; K93-H111 PolarHBondContact O-N 3.38Å; K93-H111 VanDerWaalsContact O-O 3.1Å; R109-H111 PolarHBondContact O-N 2.96Å
112D87.8Confident93.2Very high157 Ų15766.4 Ų66.484%0.8437%0.368SS*.  trans-72.9130.6179.3-69-37.4000110.2
113V86.4Confident93.6Very high37 Ų3759.6 Ų59.622%0.22435%0.348CS..  trans-97.9157.1170.9-64.90000109.5L88 K93 G115L88-V113 HydrophobicContact CD1-CG1 4.06Å; L88-V113 HydrophobicContact CD2-CG1 4.45Å; K93-V113 HydrophobicContact CD-CG2 4.22Å; K93-V113 HydrophobicContact CG-CG2 4.18Å; V113-G115 PolarHBondContact O-N 3.4Å
114D82.6Confident93.9Very high78 Ų7856.7 Ų56.742%0.41734%0.335SS..  trans-60.4107176-175.5-7.8000110.9S116 M117D114-S116 PolarHBondContact O-N 3.05Å; D114-S116 VanDerWaalsContact O-N 3.15Å; D114-S116 VanDerWaalsContact OD1-CB 3.25Å; D114-S116 WeakPolarHBondContact OD1-CB 3.07Å; D114-S116 PolarHBondContact OD1-N 3.46Å; D114-S116 PolarHBondContact OD1-OG 3.05Å; D114-S116 PolarHBondContact OD2-OG 3.27Å; D114-M117 HydrophobicContact CB-CE 3.86Å; D114-M117 PolarHBondContact O-N 3.08Å; D114-M117 WeakPolarHBondContact OD2-CE 3.18Å
115G86.3Confident94Very high62 Ų6252.4 Ų52.464%0.63932%0.315SS*.THydrogen-bonded Turntrans-63.2-19.3-178.500000113.6V113 M117 E118V113-G115 PolarHBondContact O-N 3.4Å; G115-M117 VanDerWaalsContact C-N 3.26Å; G115-M117 PolarHBondContact O-N 3.09Å; G115-E118 PolarHBondContact O-N 2.86Å
116S88.6Confident94Very high63 Ų6355 Ų5544%0.44133%0.332SS..THydrogen-bonded Turntrans-68.3-24.8179.6700000113.4D114 Q152D114-S116 PolarHBondContact O-N 3.05Å; D114-S116 VanDerWaalsContact O-N 3.15Å; D114-S116 VanDerWaalsContact OD1-CB 3.25Å; D114-S116 WeakPolarHBondContact OD1-CB 3.07Å; D114-S116 PolarHBondContact OD1-N 3.46Å; D114-S116 PolarHBondContact OD1-OG 3.05Å; D114-S116 PolarHBondContact OD2-OG 3.27Å; S116-Q152 PolarHBondContact OG-NE2 3.31Å
117M91.4Very high94.1Very high4 Ų453.3 Ų53.32%0.0232%0.322CS..THydrogen-bonded Turntrans-107.4-4.4179.3-67.1-178.9-76.400113.3D114 G115 G119 W120 R121 G145 Q152 I181D114-M117 HydrophobicContact CB-CE 3.86Å; D114-M117 PolarHBondContact O-N 3.08Å; D114-M117 WeakPolarHBondContact OD2-CE 3.18Å; G115-M117 VanDerWaalsContact C-N 3.26Å; G115-M117 PolarHBondContact O-N 3.09Å; M117-G119 VanDerWaalsContact C-N 3.34Å; M117-G119 PolarHBondContact O-N 3.29Å; M117-W120 WeakPolarHBondContact O-CB 3.24Å; M117-W120 PolarHBondContact O-N 3.02Å; M117-R121 WeakPolarHBondContact O-CB 3.28Å; M117-R121 PolarHBondContact O-N 3.42Å; M117-G145 VanDerWaalsContact CE-C 3.48Å; M117-Q152 HydrophobicContact CG-CB 3.96Å; M117-Q152 HydrophobicContact CG-CG 3.83Å; M117-Q152 HydrophobicContact SD-CB 3.6Å; M117-Q152 VanDerWaalsContact SD-CB 3.6Å; M117-Q152 HydrophobicContact SD-CG 3.75Å; M117-I181 HydrophobicContact CG-CD1 4.26Å
118E94.3Very high94.1Very high34 Ų3450.6 Ų50.616%0.15931%0.307CS..Hα-helixtrans-65.1-34.7-169.7173.960.7172.800113.2K93 G115 R121 S122K93-E118 WeakPolarHBondContact CE-OE1 3.13Å; K93-E118 IonicContact NZ-OE1 3.3Å; K93-E118 PolarHBondContact NZ-OE1 2.9Å; G115-E118 PolarHBondContact O-N 2.86Å; E118-R121 PolarHBondContact O-N 3.1Å; E118-R121 IonicContact OE2-NE 3.75Å; E118-R121 PolarHBondContact OE2-NE 3.43Å; E118-S122 WeakPolarHBondContact O-CB 3.46Å; E118-S122 PolarHBondContact O-N 2.95Å
119G95.6Very high94.2Very high27 Ų2749.9 Ų49.928%0.27830%0.297SS..Hα-helixtrans-61.9-50.9174.700000111.8M117 S122 A123 E221M117-G119 VanDerWaalsContact C-N 3.34Å; M117-G119 PolarHBondContact O-N 3.29Å; G119-S122 PolarHBondContact O-N 3.24Å; G119-A123 WeakPolarHBondContact O-CB 3.4Å; G119-A123 PolarHBondContact O-N 3.34Å; G119-E221 VanDerWaalsContact C-OE2 3.26Å; G119-E221 VanDerWaalsContact CA-OE1 3.3Å; G119-E221 WeakPolarHBondContact CA-OE1 3.33Å; G119-E221 WeakPolarHBondContact CA-OE2 3.11Å
120W96.4Very high94.2Very high37 Ų3746.7 Ų46.714%0.1430%0.298CS..Hα-helixtrans-56.5-51.6172.9-68.295.8000112.6M117 S122 A123 V124 I154 I181 V218 S219 E221 T224M117-W120 WeakPolarHBondContact O-CB 3.24Å; M117-W120 PolarHBondContact O-N 3.02Å; W120-S122 VanDerWaalsContact C-N 3.35Å; W120-S122 PolarHBondContact O-N 3.38Å; W120-A123 PolarHBondContact O-N 3.2Å; W120-V124 WeakPolarHBondContact O-CG2 3.14Å; W120-V124 PolarHBondContact O-N 2.98Å; W120-I154 HydrophobicContact CB-CD1 4.17Å; W120-I154 HydrophobicContact CB-CG1 4.44Å; W120-I181 HydrophobicContact CB-CD1 3.85Å; W120-I181 HydrophobicContact CD2-CD1 4.1Å; W120-I181 HydrophobicContact CD2-CG1 4.46Å; W120-I181 HydrophobicContact CD2-CG2 4.36Å; W120-I181 HydrophobicContact CG-CD1 3.61Å; W120-I181 HydrophobicContact CG-CG1 4.44Å; W120-I181 HydrophobicContact CZ2-CG2 4.19Å; W120-V218 HydrophobicContact CH2-CG1 3.54Å; W120-V218 HydrophobicContact CZ2-CG1 4.37Å; W120-V218 HydrophobicContact CZ3-CG1 3.94Å; W120-S219 WeakPolarHBondContact CH2-O 3.44Å; W120-E221 HydrophobicContact CD2-CB 4.39Å; W120-E221 HydrophobicContact CD2-CG 3.69Å; W120-E221 HydrophobicContact CE3-CB 4.3Å; W120-E221 HydrophobicContact CE3-CG 4.08Å; W120-E221 HydrophobicContact CG-CG 3.96Å; W120-E221 HydrophobicContact CZ2-CG 4.21Å; W120-E221 HydrophobicContact CZ3-CG 4.48Å; W120-E221 PolarHBondContact N-OE1 2.84Å; W120-T224 HydrophobicContact CE3-CG2 4.45Å; W120-T224 HydrophobicContact CZ3-CG2 3.73Å; W120-T224 WeakPolarHBondContact CZ3-OG1 3.42Å
121R97.1Very high94.3Very high10 Ų1041.4 Ų41.44%0.03826%0.263CS..Hα-helixtrans-59.7-45.1-179.3-170.7-135.170.7783.9111.1M117 E118 V124 D125 I143 I154M117-R121 WeakPolarHBondContact O-CB 3.28Å; M117-R121 PolarHBondContact O-N 3.42Å; E118-R121 PolarHBondContact O-N 3.1Å; E118-R121 IonicContact OE2-NE 3.75Å; E118-R121 PolarHBondContact OE2-NE 3.43Å; R121-V124 PolarHBondContact O-N 3.42Å; R121-D125 IonicContact NH1-OD1 2.84Å; R121-D125 PolarHBondContact NH1-OD1 3.28Å; R121-D125 VanDerWaalsContact O-CB 3.24Å; R121-D125 WeakPolarHBondContact O-CB 3.36Å; R121-D125 PolarHBondContact O-N 2.98Å; R121-I143 WeakPolarHBondContact CD-O 3.35Å; R121-I143 HydrophobicContact CG-CB 4.48Å; R121-I143 HydrophobicContact CG-CG2 3.78Å; R121-I143 PolarHBondContact NH1-O 3.48Å; R121-I154 HydrophobicContact CB-CD1 4.14Å
122S96.8Very high94.5Very high48 Ų4838.5 Ų38.534%0.33625%0.249SC..Hα-helixtrans-68-38.1-179.9-172.70000112.9E118 G119 W120 S126E118-S122 WeakPolarHBondContact O-CB 3.46Å; E118-S122 PolarHBondContact O-N 2.95Å; G119-S122 PolarHBondContact O-N 3.24Å; W120-S122 VanDerWaalsContact C-N 3.35Å; W120-S122 PolarHBondContact O-N 3.38Å; S122-S126 PolarHBondContact O-N 2.81Å; S122-S126 VanDerWaalsContact O-N 3.08Å; S122-S126 PolarHBondContact O-OG 2.89Å
123A97.8Very high94.9Very high22 Ų2239.7 Ų39.718%0.18225%0.247CC..Hα-helixtrans-64.3-44.7175.300000111.4G119 W120 A127 E221 A225G119-A123 WeakPolarHBondContact O-CB 3.4Å; G119-A123 PolarHBondContact O-N 3.34Å; W120-A123 PolarHBondContact O-N 3.2Å; A123-A127 PolarHBondContact O-N 3.2Å; A123-E221 HydrophobicContact CB-CB 3.88Å; A123-A225 HydrophobicContact CB-CB 4.2Å
124V98.3Very high95.5Very high0 Ų045.5 Ų45.50%027%0.272CS..Hα-helixtrans-65.9-44.7175.8175.40000111.2W120 R121 S126 A127 V128 I143 I154 V156 F179 A225 F228W120-V124 WeakPolarHBondContact O-CG2 3.14Å; W120-V124 PolarHBondContact O-N 2.98Å; R121-V124 PolarHBondContact O-N 3.42Å; V124-S126 VanDerWaalsContact C-N 3.31Å; V124-S126 PolarHBondContact O-N 3.25Å; V124-A127 PolarHBondContact O-N 3.31Å; V124-V128 HydrophobicContact CG1-CG2 3.81Å; V124-V128 WeakPolarHBondContact O-CB 3.26Å; V124-V128 VanDerWaalsContact O-CG2 3.26Å; V124-V128 WeakPolarHBondContact O-CG2 3.36Å; V124-V128 PolarHBondContact O-N 2.68Å; V124-I143 HydrophobicContact CB-CG2 4.35Å; V124-I143 HydrophobicContact CG1-CG1 4.37Å; V124-I143 HydrophobicContact CG1-CG2 4.07Å; V124-I154 HydrophobicContact CB-CG2 4.39Å; V124-I154 HydrophobicContact CG1-CG2 4.13Å; V124-I154 HydrophobicContact CG2-CG2 4.35Å; V124-V156 HydrophobicContact CG1-CG2 3.67Å; V124-F179 HydrophobicContact CG2-CE1 4.19Å; V124-F179 HydrophobicContact CG2-CZ 3.92Å; V124-A225 HydrophobicContact CG2-CB 4Å; V124-F228 HydrophobicContact CG1-CD1 4.23Å; V124-F228 HydrophobicContact CG1-CE1 4.19Å
125D97.9Very high96.2Very high6 Ų644.8 Ų44.83%0.03227%0.266CS..Hα-helixtrans-55.8-45.5177.8-176.298.5000112R121 R129 I143R121-D125 IonicContact NH1-OD1 2.84Å; R121-D125 PolarHBondContact NH1-OD1 3.28Å; R121-D125 VanDerWaalsContact O-CB 3.24Å; R121-D125 WeakPolarHBondContact O-CB 3.36Å; R121-D125 PolarHBondContact O-N 2.98Å; D125-R129 VanDerWaalsContact CG-NE 3.29Å; D125-R129 WeakPolarHBondContact O-CB 3.4Å; D125-R129 VanDerWaalsContact O-CG 3.25Å; D125-R129 WeakPolarHBondContact O-CG 3.35Å; D125-R129 PolarHBondContact O-N 3.45Å; D125-R129 IonicContact OD1-CZ 3.41Å; D125-R129 IonicContact OD1-NE 2.69Å; D125-R129 PolarHBondContact OD1-NE 2.84Å; D125-R129 IonicContact OD1-NH2 2.89Å; D125-R129 PolarHBondContact OD1-NH2 2.85Å; D125-R129 WeakPolarHBondContact OD2-CD 3.41Å; D125-R129 IonicContact OD2-CZ 2.84Å; D125-R129 IonicContact OD2-NE 2.81Å; D125-R129 PolarHBondContact OD2-NE 2.84Å; D125-R129 IonicContact OD2-NH2 2.92Å; D125-I143 HydrophobicContact CB-CB 4.24Å; D125-I143 HydrophobicContact CB-CD1 4.17Å; D125-I143 HydrophobicContact CB-CG1 4.21Å
126S97.9Very high96.7Very high75 Ų7543.1 Ų43.152%0.52424%0.241SC..Hα-helixtrans-64.6-44.2179.1-58.20000112.1S122 V124 A130S122-S126 PolarHBondContact O-N 2.81Å; S122-S126 VanDerWaalsContact O-N 3.08Å; S122-S126 PolarHBondContact O-OG 2.89Å; V124-S126 VanDerWaalsContact C-N 3.31Å; V124-S126 PolarHBondContact O-N 3.25Å; S126-A130 PolarHBondContact O-N 3.47Å
127A98.3Very high97Very high26 Ų2645.5 Ų45.522%0.21526%0.255CS..Hα-helixtrans-69.4-43.9-179.400000112A123 V124 A130 Y131 A225 V229A123-A127 PolarHBondContact O-N 3.2Å; V124-A127 PolarHBondContact O-N 3.31Å; A127-A130 PolarHBondContact O-N 2.97Å; A127-Y131 PolarHBondContact O-N 2.76Å; A127-Y131 VanDerWaalsContact O-N 3.1Å; A127-A225 HydrophobicContact CB-CB 4.13Å; A127-V229 HydrophobicContact CB-CG2 3.79Å
128V98.4Very high97.2Very high0 Ų050.3 Ų50.30%028%0.28CS..Hα-helixtrans-67.1-40.6178.9171.90000111V124 A130 Y131 V132 C141 I143 V156 I158 F228 V229 M232V124-V128 HydrophobicContact CG1-CG2 3.81Å; V124-V128 WeakPolarHBondContact O-CB 3.26Å; V124-V128 VanDerWaalsContact O-CG2 3.26Å; V124-V128 WeakPolarHBondContact O-CG2 3.36Å; V124-V128 PolarHBondContact O-N 2.68Å; V128-A130 VanDerWaalsContact C-N 3.3Å; V128-A130 PolarHBondContact O-N 2.94Å; V128-Y131 WeakPolarHBondContact O-CB 3.39Å; V128-Y131 PolarHBondContact O-N 2.92Å; V128-V132 HydrophobicContact CG1-CG2 3.95Å; V128-V132 WeakPolarHBondContact O-CB 3.35Å; V128-V132 VanDerWaalsContact O-CG2 3.29Å; V128-V132 WeakPolarHBondContact O-CG2 3.45Å; V128-V132 PolarHBondContact O-N 2.9Å; V128-C141 HydrophobicContact CG1-CB 4.2Å; V128-I143 HydrophobicContact CB-CD1 4.37Å; V128-I143 HydrophobicContact CG1-CD1 4.27Å; V128-V156 HydrophobicContact CB-CG1 4.45Å; V128-V156 HydrophobicContact CG1-CG1 3.75Å; V128-V156 HydrophobicContact CG2-CG1 4.01Å; V128-V156 HydrophobicContact CG2-CG2 4.43Å; V128-I158 HydrophobicContact CG1-CD1 4.17Å; V128-I158 HydrophobicContact CG1-CG1 4.38Å; V128-F228 HydrophobicContact CG2-CD1 4.49Å; V128-F228 HydrophobicContact CG2-CE1 4.15Å; V128-V229 HydrophobicContact CG2-CG2 3.98Å; V128-M232 HydrophobicContact CG1-CE 4.45Å; V128-M232 HydrophobicContact CG2-CE 4.18Å
129R97.7Very high97.3Very high45 Ų4549.9 Ų49.917%0.1729%0.285CS..Hα-helixtrans-62.4-37.8176.7-76.6-179.3-163.9-66.3-21.1112.6E72 K91 D125 K133 C141E72-R129 IonicContact OE2-CZ 3.41Å; E72-R129 IonicContact OE2-NE 3.42Å; E72-R129 PolarHBondContact OE2-NE 2.64Å; E72-R129 IonicContact OE2-NH1 3.79Å; E72-R129 PolarHBondContact OE2-NH1 2.81Å; E72-R129 IonicContact OE2-NH2 3.98Å; K91-R129 VanDerWaalsContact NZ-NE 3.2Å; D125-R129 VanDerWaalsContact CG-NE 3.29Å; D125-R129 WeakPolarHBondContact O-CB 3.4Å; D125-R129 VanDerWaalsContact O-CG 3.25Å; D125-R129 WeakPolarHBondContact O-CG 3.35Å; D125-R129 PolarHBondContact O-N 3.45Å; D125-R129 IonicContact OD1-CZ 3.41Å; D125-R129 IonicContact OD1-NE 2.69Å; D125-R129 PolarHBondContact OD1-NE 2.84Å; D125-R129 IonicContact OD1-NH2 2.89Å; D125-R129 PolarHBondContact OD1-NH2 2.85Å; D125-R129 WeakPolarHBondContact OD2-CD 3.41Å; D125-R129 IonicContact OD2-CZ 2.84Å; D125-R129 IonicContact OD2-NE 2.81Å; D125-R129 PolarHBondContact OD2-NE 2.84Å; D125-R129 IonicContact OD2-NH2 2.92Å; R129-K133 WeakPolarHBondContact O-CB 3.33Å; R129-K133 PolarHBondContact O-N 3Å; R129-C141 VanDerWaalsContact CG-SG 3.53Å; R129-C141 PolarHBondContact NH2-O 2.81Å
130A98Very high97.4Very high63 Ų6349.3 Ų49.352%0.52128%0.276SS..Hα-helixtrans-62.7-47.5173.900000111.1S126 A127 V128 K133 E134S126-A130 PolarHBondContact O-N 3.47Å; A127-A130 PolarHBondContact O-N 2.97Å; V128-A130 VanDerWaalsContact C-N 3.3Å; V128-A130 PolarHBondContact O-N 2.94Å; A130-K133 PolarHBondContact O-N 3.35Å; A130-E134 PolarHBondContact O-N 3.35Å
131Y98.4Very high97.5Very high10 Ų1047.7 Ų47.74%0.03927%0.27CS..Hα-helixtrans-57.4-50.3175.2169.6-100.9000112.6A127 V128 K133 E134 H135 Y136 I158 V229 M232 E233 E236A127-Y131 PolarHBondContact O-N 2.76Å; A127-Y131 VanDerWaalsContact O-N 3.1Å; V128-Y131 WeakPolarHBondContact O-CB 3.39Å; V128-Y131 PolarHBondContact O-N 2.92Å; Y131-K133 VanDerWaalsContact C-N 3.31Å; Y131-K133 PolarHBondContact O-N 3.4Å; Y131-E134 PolarHBondContact O-N 3.14Å; Y131-E134 VanDerWaalsContact O-N 3.08Å; Y131-H135 AromaticContact CD2-CE1 3.46Å; Y131-H135 VanDerWaalsContact CD2-CE1 3.46Å; Y131-H135 WeakPolarHBondContact CD2-CE1 3.5Å; Y131-H135 AromaticContact CD2-ND1 3.29Å; Y131-H135 VanDerWaalsContact CD2-ND1 3.29Å; Y131-H135 WeakPolarHBondContact CD2-ND1 3.27Å; Y131-H135 HydrophobicContact CE2-CB 4.29Å; Y131-H135 AromaticContact CE2-CD2 3.77Å; Y131-H135 AromaticContact CE2-CE1 3.39Å; Y131-H135 WeakPolarHBondContact CE2-CE1 3.22Å; Y131-H135 AromaticContact CE2-CG 3.52Å; Y131-H135 AromaticContact CE2-ND1 3.26Å; Y131-H135 VanDerWaalsContact CE2-ND1 3.26Å; Y131-H135 WeakPolarHBondContact CE2-ND1 3.48Å; Y131-H135 AromaticContact CE2-NE2 3.69Å; Y131-H135 AromaticContact CZ-CG 3.9Å; Y131-H135 PolarHBondContact O-N 3.14Å; Y131-H135 PolarHBondContact O-ND1 3.49Å; Y131-Y136 AromaticContact CE1-CE2 3.86Å; Y131-Y136 HydrophobicContact CE1-CE2 3.86Å; Y131-I158 HydrophobicContact CD1-CD1 4.49Å; Y131-I158 HydrophobicContact CE1-CD1 4.37Å; Y131-V229 HydrophobicContact CD2-CG1 4.06Å; Y131-V229 HydrophobicContact CG-CG1 4.05Å; Y131-M232 HydrophobicContact CD1-CE 3.26Å; Y131-M232 HydrophobicContact CD1-SD 4.46Å; Y131-M232 HydrophobicContact CE1-CE 3.52Å; Y131-M232 HydrophobicContact CE1-CG 4.36Å; Y131-M232 HydrophobicContact CE1-SD 4.25Å; Y131-M232 HydrophobicContact CG-CE 3.87Å; Y131-E233 HydrophobicContact CD2-CB 4.25Å; Y131-E233 HydrophobicContact CE2-CB 3.63Å; Y131-E233 HydrophobicContact CE2-CG 3.86Å; Y131-E236 PolarHBondContact OH-OE2 2.98Å
132V98.2Very high97.6Very high4 Ų447.3 Ų47.32%0.02427%0.269CS..Hα-helixtrans-61-42.4-177.7170.10000110.9V128 E134 H135 Y136 C141 I158V128-V132 HydrophobicContact CG1-CG2 3.95Å; V128-V132 WeakPolarHBondContact O-CB 3.35Å; V128-V132 VanDerWaalsContact O-CG2 3.29Å; V128-V132 WeakPolarHBondContact O-CG2 3.45Å; V128-V132 PolarHBondContact O-N 2.9Å; V132-E134 PolarHBondContact O-N 3.36Å; V132-H135 PolarHBondContact O-N 3.38Å; V132-Y136 HydrophobicContact CB-CD2 4.46Å; V132-Y136 HydrophobicContact CG1-CD2 4.27Å; V132-Y136 HydrophobicContact CG2-CD2 4.48Å; V132-Y136 WeakPolarHBondContact O-CB 3.2Å; V132-Y136 PolarHBondContact O-N 2.94Å; V132-C141 HydrophobicContact CG2-CB 4.1Å; V132-I158 HydrophobicContact CG2-CD1 3.79Å; V132-I158 HydrophobicContact CG2-CG1 3.99Å; V132-I158 HydrophobicContact CG2-CG2 3.96Å
133K97.1Very high97.7Very high183 Ų18345 Ų4580%0.79625%0.253SS*.Hα-helixtrans-62.8-30.8177.4-175.7177.8179.2-179.90113.1R129 A130 Y131R129-K133 WeakPolarHBondContact O-CB 3.33Å; R129-K133 PolarHBondContact O-N 3Å; A130-K133 PolarHBondContact O-N 3.35Å; Y131-K133 VanDerWaalsContact C-N 3.31Å; Y131-K133 PolarHBondContact O-N 3.4Å
134E97.8Very high97.7Very high159 Ų15944 Ų4474%0.74325%0.245SC*.Hα-helixtrans-81.3-35.6179.8-176.6170.1-169.500112.6A130 Y131 V132A130-E134 PolarHBondContact O-N 3.35Å; Y131-E134 PolarHBondContact O-N 3.14Å; Y131-E134 VanDerWaalsContact O-N 3.08Å; V132-E134 PolarHBondContact O-N 3.36Å
135H97.8Very high97.6Very high63 Ų6345.3 Ų45.329%0.29226%0.258SS..Hα-helixtrans-103-22.2-170.2-65.177000114.4Y131 V132 E233Y131-H135 AromaticContact CD2-CE1 3.46Å; Y131-H135 VanDerWaalsContact CD2-CE1 3.46Å; Y131-H135 WeakPolarHBondContact CD2-CE1 3.5Å; Y131-H135 AromaticContact CD2-ND1 3.29Å; Y131-H135 VanDerWaalsContact CD2-ND1 3.29Å; Y131-H135 WeakPolarHBondContact CD2-ND1 3.27Å; Y131-H135 HydrophobicContact CE2-CB 4.29Å; Y131-H135 AromaticContact CE2-CD2 3.77Å; Y131-H135 AromaticContact CE2-CE1 3.39Å; Y131-H135 WeakPolarHBondContact CE2-CE1 3.22Å; Y131-H135 AromaticContact CE2-CG 3.52Å; Y131-H135 AromaticContact CE2-ND1 3.26Å; Y131-H135 VanDerWaalsContact CE2-ND1 3.26Å; Y131-H135 WeakPolarHBondContact CE2-ND1 3.48Å; Y131-H135 AromaticContact CE2-NE2 3.69Å; Y131-H135 AromaticContact CZ-CG 3.9Å; Y131-H135 PolarHBondContact O-N 3.14Å; Y131-H135 PolarHBondContact O-ND1 3.49Å; V132-H135 PolarHBondContact O-N 3.38Å; H135-E233 IonicContact NE2-OE1 2.73Å
136Y97.3Very high97.4Very high26 Ų2648.1 Ų48.110%0.10227%0.27CS..  trans-122.7116-174.2-63.7-89.4000111.2Y131 V132 N138 G139 I158 C160 W173 E236Y131-Y136 AromaticContact CE1-CE2 3.86Å; Y131-Y136 HydrophobicContact CE1-CE2 3.86Å; V132-Y136 HydrophobicContact CB-CD2 4.46Å; V132-Y136 HydrophobicContact CG1-CD2 4.27Å; V132-Y136 HydrophobicContact CG2-CD2 4.48Å; V132-Y136 WeakPolarHBondContact O-CB 3.2Å; V132-Y136 PolarHBondContact O-N 2.94Å; Y136-N138 VanDerWaalsContact C-N 3.27Å; Y136-N138 PolarHBondContact O-N 3.45Å; Y136-G139 PolarHBondContact O-N 2.79Å; Y136-I158 HydrophobicContact CD2-CG2 4.46Å; Y136-I158 HydrophobicContact CE2-CG2 4.21Å; Y136-C160 HydrophobicContact CD1-CB 3.44Å; Y136-C160 VanDerWaalsContact CD1-CB 3.44Å; Y136-C160 HydrophobicContact CE1-CB 4.24Å; Y136-C160 HydrophobicContact CG-CB 4.14Å; Y136-W173 HydrophobicContact CE1-CB 4.47Å; Y136-W173 AromaticContact CE1-CD1 3.49Å; Y136-W173 VanDerWaalsContact CE1-CD1 3.49Å; Y136-W173 HydrophobicContact CE1-CD2 4.18Å; Y136-W173 AromaticContact CE1-CG 3.83Å; Y136-W173 HydrophobicContact CE1-CG 3.83Å; Y136-W173 AromaticContact CE1-NE1 3.71Å; Y136-W173 AromaticContact CZ-CD1 3.96Å; Y136-W173 AromaticContact CZ-NE1 3.71Å; Y136-W173 VanDerWaalsContact OH-CE2 3.22Å; Y136-W173 WeakPolarHBondContact OH-CZ2 3.34Å; Y136-W173 PolarHBondContact OH-NE1 2.85Å; Y136-E236 VanDerWaalsContact OH-CD 3.24Å; Y136-E236 PolarHBondContact OH-OE2 2.95Å
137P95.1Very high97.1Very high114 Ų11448.4 Ų48.474%0.7427%0.269SS*.THydrogen-bonded Turntrans-55.6-38.5-177.3-28.335000114.5
138N94.5Very high96.8Very high104 Ų10450.6 Ų50.656%0.55628%0.276SS*.THydrogen-bonded Turntrans-128.834.3179.6-56.9-52.6000111.1Y136Y136-N138 VanDerWaalsContact C-N 3.27Å; Y136-N138 PolarHBondContact O-N 3.45Å
139G97.2Very high96.4Very high25 Ų2557.9 Ų57.926%0.25832%0.315SS..  trans-69.9138.5-174.700000113.1Y136 E159Y136-G139 PolarHBondContact O-N 2.79Å; G139-E159 CarbonylContact C-O 3.59Å; G139-E159 WeakPolarHBondContact CA-O 3.27Å
140V98.4Very high96Very high15 Ų1558.9 Ų58.99%0.09134%0.34CS..EExtended strand (participates in β ladder)trans-121.9141.2172.7-177.10000108.2P64 Q73 L75 I158 E159P64-V140 HydrophobicContact CB-CB 4.28Å; P64-V140 HydrophobicContact CB-CG1 4.24Å; P64-V140 HydrophobicContact CB-CG2 4.06Å; Q73-V140 HydrophobicContact CB-CG1 3.78Å; Q73-V140 HydrophobicContact CB-CG2 4.17Å; Q73-V140 VanDerWaalsContact OE1-CG2 3.3Å; L75-V140 HydrophobicContact CD2-CB 3.76Å; L75-V140 HydrophobicContact CD2-CG1 3.49Å; L75-V140 VanDerWaalsContact CD2-CG1 3.49Å; L75-V140 HydrophobicContact CG-CG1 4.02Å; V140-I158 WeakPolarHBondContact O-CA 3.44Å; V140-E159 PolarHBondContact N-O 2.89Å; V140-E159 PolarHBondContact O-N 3.42Å
141C98.4Very high95.8Very high3 Ų361.4 Ų61.42%0.0234%0.341CS..EExtended strand (participates in β ladder)trans-137.6153.3176.663.80000112.6V128 R129 V132 I143 C157 I158V128-C141 HydrophobicContact CG1-CB 4.2Å; R129-C141 VanDerWaalsContact CG-SG 3.53Å; R129-C141 PolarHBondContact NH2-O 2.81Å; V132-C141 HydrophobicContact CG2-CB 4.1Å; C141-I143 HydrophobicContact CB-CD1 4.3Å; C141-C157 CarbonylContact C-O 3.55Å; C141-C157 WeakPolarHBondContact CA-O 3.31Å; C141-C157 WeakPolarHBondContact CB-O 3.45Å; C141-I158 HydrophobicContact CB-CG1 4.03Å
142T98.6Very high95.6Very high2 Ų263.9 Ų63.91%0.01235%0.352CS..EExtended strand (participates in β ladder)trans-139.3130.5173.9-56.30000109.5V74 L75 P90 Y144 C157V74-T142 HydrophobicContact CG2-CG2 3.95Å; L75-T142 PolarHBondContact N-OG1 2.92Å; P90-T142 HydrophobicContact CG-CG2 3.68Å; T142-Y144 HydrophobicContact CG2-CD1 4.4Å; T142-Y144 HydrophobicContact CG2-CD2 4.4Å; T142-Y144 HydrophobicContact CG2-CE1 3.69Å; T142-Y144 HydrophobicContact CG2-CE2 3.71Å; T142-Y144 WeakPolarHBondContact CG2-OH 3.27Å; T142-C157 PolarHBondContact N-O 3.44Å; T142-C157 PolarHBondContact O-N 2.92Å
143I98.3Very high95.5Very high0 Ų064 Ų640%035%0.353CS..EExtended strand (participates in β ladder)trans-116.6117.9-174.8-62.673000108.6P90 R121 V124 D125 V128 C141 I154 I155 V156P90-I143 WeakPolarHBondContact CB-O 3.29Å; P90-I143 WeakPolarHBondContact CG-O 3.33Å; R121-I143 WeakPolarHBondContact CD-O 3.35Å; R121-I143 HydrophobicContact CG-CB 4.48Å; R121-I143 HydrophobicContact CG-CG2 3.78Å; R121-I143 PolarHBondContact NH1-O 3.48Å; V124-I143 HydrophobicContact CB-CG2 4.35Å; V124-I143 HydrophobicContact CG1-CG1 4.37Å; V124-I143 HydrophobicContact CG1-CG2 4.07Å; D125-I143 HydrophobicContact CB-CB 4.24Å; D125-I143 HydrophobicContact CB-CD1 4.17Å; D125-I143 HydrophobicContact CB-CG1 4.21Å; V128-I143 HydrophobicContact CB-CD1 4.37Å; V128-I143 HydrophobicContact CG1-CD1 4.27Å; C141-I143 HydrophobicContact CB-CD1 4.3Å; I143-I154 HydrophobicContact CG2-CG2 3.86Å; I143-I155 CarbonylContact C-O 3.54Å; I143-I155 WeakPolarHBondContact CA-O 3.46Å; I143-V156 HydrophobicContact CG1-CB 4.47Å; I143-V156 HydrophobicContact CG1-CG1 4.19Å; I143-V156 HydrophobicContact CG1-CG2 4.02Å; I143-V156 HydrophobicContact CG2-CG2 4.22Å
144Y97.4Very high95.6Very high1 Ų155.3 Ų55.30%0.00432%0.316CS..EExtended strand (participates in β ladder)trans-104.9147.9-179.8-53.1-83.5000110.8L75 T77 H79 L88 P90 T142 I154 I155L75-Y144 PolarHBondContact O-OH 3.17Å; L75-Y144 VanDerWaalsContact O-OH 3.1Å; T77-Y144 HydrophobicContact CG2-CE2 4.47Å; T77-Y144 WeakPolarHBondContact OG1-CE2 3.44Å; T77-Y144 PolarHBondContact OG1-OH 2.71Å; T77-Y144 VanDerWaalsContact OG1-OH 3.06Å; H79-Y144 HydrophobicContact CB-CD1 4.34Å; H79-Y144 HydrophobicContact CB-CD2 3.55Å; H79-Y144 HydrophobicContact CB-CE1 4.5Å; H79-Y144 HydrophobicContact CB-CE2 3.73Å; H79-Y144 HydrophobicContact CB-CG 3.86Å; L88-Y144 HydrophobicContact CD2-CD1 4.45Å; P90-Y144 HydrophobicContact CG-CD1 3.9Å; P90-Y144 HydrophobicContact CG-CE1 4.07Å; T142-Y144 HydrophobicContact CG2-CD1 4.4Å; T142-Y144 HydrophobicContact CG2-CD2 4.4Å; T142-Y144 HydrophobicContact CG2-CE1 3.69Å; T142-Y144 HydrophobicContact CG2-CE2 3.71Å; T142-Y144 WeakPolarHBondContact CG2-OH 3.27Å; Y144-I154 WeakPolarHBondContact O-CA 3.46Å; Y144-I155 PolarHBondContact N-O 2.74Å; Y144-I155 PolarHBondContact O-N 3.45Å
145G96.2Very high95.6Very high27 Ų2747.9 Ų47.928%0.27828%0.281SS..EExtended strand (participates in β ladder)trans-115.6123.2162.600000108.6M117M117-G145 VanDerWaalsContact CE-C 3.48Å
146K93.5Very high95.6Very high65 Ų6544.9 Ų44.928%0.28327%0.267SS..EExtended strand (participates in β ladder)trans-135.5149.5-179.6-73.5-165.6173.2-170.60111.2H79 I148 T153 I155H79-K146 VanDerWaalsContact C-NZ 3.34Å; H79-K146 VanDerWaalsContact CA-NZ 3.32Å; H79-K146 WeakPolarHBondContact O-CE 3.25Å; H79-K146 PolarHBondContact O-NZ 3.47Å; K146-I148 HydrophobicContact CB-CG1 4.23Å; K146-T153 PolarHBondContact N-O 3.01Å; K146-T153 PolarHBondContact O-N 3.29Å; K146-I155 HydrophobicContact CB-CD1 4.49Å; K146-I155 HydrophobicContact CD-CD1 4.33Å
147T93.6Very high95.7Very high82 Ų8243.7 Ų43.750%0.50326%0.262SS..EExtended strand (participates in β ladder)trans-92.5112.7166.1-52.10000109.2H151T147-H151 CarbonylContact C-O 3.42Å; T147-H151 VanDerWaalsContact CA-O 3.27Å; T147-H151 WeakPolarHBondContact CA-O 3.33Å
148I91.1Very high95.9Very high72 Ų7238.2 Ų38.237%0.36923%0.227SC..EExtended strand (participates in β ladder)trans-114.3122.3178.4-56.4175.7000107.2K146 G150 H151 T153 I155K146-I148 HydrophobicContact CB-CG1 4.23Å; I148-G150 PolarHBondContact O-N 3.06Å; I148-G150 VanDerWaalsContact O-N 3.12Å; I148-H151 PolarHBondContact N-O 3.17Å; I148-H151 WeakPolarHBondContact O-CB 2.79Å; I148-H151 PolarHBondContact O-N 3.1Å; I148-T153 HydrophobicContact CD1-CG2 4.3Å; I148-I155 HydrophobicContact CD1-CD1 4.14Å
149D90.1Very high96.1Very high152 Ų15233.3 Ų33.381%0.81320%0.2SC*.THydrogen-bonded Turntrans5234.8-177.9-57.4-34.4000114.2H151D149-H151 VanDerWaalsContact C-N 3.28Å; D149-H151 PolarHBondContact O-CD2 2.81Å; D149-H151 VanDerWaalsContact O-CD2 3.29Å; D149-H151 PolarHBondContact O-N 3.14Å
150G89.8Confident96.1Very high67 Ų6733 Ų3369%0.69119%0.194SC*.THydrogen-bonded Turntrans81.41.3-178.100000114.8I148I148-G150 PolarHBondContact O-N 3.06Å; I148-G150 VanDerWaalsContact O-N 3.12Å
151H92.7Very high96.1Very high116 Ų11634.7 Ų34.754%0.53720%0.201SC..EExtended strand (participates in β ladder)trans-105.4134.1178.5-62.8-75.9000111.5T147 I148 D149 T153 T180T147-H151 CarbonylContact C-O 3.42Å; T147-H151 VanDerWaalsContact CA-O 3.27Å; T147-H151 WeakPolarHBondContact CA-O 3.33Å; I148-H151 PolarHBondContact N-O 3.17Å; I148-H151 WeakPolarHBondContact O-CB 2.79Å; I148-H151 PolarHBondContact O-N 3.1Å; D149-H151 VanDerWaalsContact C-N 3.28Å; D149-H151 PolarHBondContact O-CD2 2.81Å; D149-H151 VanDerWaalsContact O-CD2 3.29Å; D149-H151 PolarHBondContact O-N 3.14Å; H151-T153 PolarHBondContact O-N 2.99Å; H151-T180 HydrophobicContact CB-CG2 3.69Å
152Q95.1Very high96.1Very high61 Ų6138.8 Ų38.829%0.28522%0.22SC..EExtended strand (participates in β ladder)trans-74.8120.4174.6-70.4-179.9-30.800110S116 M117 T180 I181S116-Q152 PolarHBondContact OG-NE2 3.31Å; M117-Q152 HydrophobicContact CG-CB 3.96Å; M117-Q152 HydrophobicContact CG-CG 3.83Å; M117-Q152 HydrophobicContact SD-CB 3.6Å; M117-Q152 VanDerWaalsContact SD-CB 3.6Å; M117-Q152 HydrophobicContact SD-CG 3.75Å; Q152-T180 CarbonylContact O-C 3.55Å; Q152-T180 WeakPolarHBondContact O-CA 3.49Å; Q152-T180 WeakPolarHBondContact O-CG2 3.41Å; Q152-I181 HydrophobicContact CB-CB 4.22Å; Q152-I181 HydrophobicContact CB-CD1 4.07Å; Q152-I181 HydrophobicContact CB-CG1 4.41Å; Q152-I181 PolarHBondContact O-N 3.01Å
153T96.2Very high96Very high8 Ų841.8 Ų41.85%0.04923%0.233CC..EExtended strand (participates in β ladder)trans-125.9131.4-175.1-57.80000109.8K146 I148 H151 I155 K178 F179 T180K146-T153 PolarHBondContact N-O 3.01Å; K146-T153 PolarHBondContact O-N 3.29Å; I148-T153 HydrophobicContact CD1-CG2 4.3Å; H151-T153 PolarHBondContact O-N 2.99Å; T153-I155 HydrophobicContact CG2-CG1 4.1Å; T153-K178 HydrophobicContact CG2-CB 4.27Å; T153-F179 WeakPolarHBondContact CA-O 3.43Å; T153-F179 WeakPolarHBondContact CG2-O 3.32Å; T153-T180 PolarHBondContact OG1-OG1 3.45Å
154I97.8Very high95.9Very high0 Ų044.7 Ų44.70%025%0.246CC..EExtended strand (participates in β ladder)trans-93.5132.5168.9-59-59.5000108.1W120 R121 V124 I143 Y144 V156 K178 F179 I181W120-I154 HydrophobicContact CB-CD1 4.17Å; W120-I154 HydrophobicContact CB-CG1 4.44Å; R121-I154 HydrophobicContact CB-CD1 4.14Å; V124-I154 HydrophobicContact CB-CG2 4.39Å; V124-I154 HydrophobicContact CG1-CG2 4.13Å; V124-I154 HydrophobicContact CG2-CG2 4.35Å; I143-I154 HydrophobicContact CG2-CG2 3.86Å; Y144-I154 WeakPolarHBondContact O-CA 3.46Å; I154-V156 HydrophobicContact CG2-CG2 4.23Å; I154-K178 VanDerWaalsContact O-CA 3.3Å; I154-K178 WeakPolarHBondContact O-CA 3.47Å; I154-F179 HydrophobicContact CB-CD1 4.17Å; I154-F179 HydrophobicContact CB-CE1 3.63Å; I154-F179 HydrophobicContact CB-CE2 4.14Å; I154-F179 HydrophobicContact CB-CZ 3.62Å; I154-F179 HydrophobicContact CG1-CE1 4.27Å; I154-F179 HydrophobicContact CG1-CE2 4.04Å; I154-F179 HydrophobicContact CG1-CZ 3.72Å; I154-F179 HydrophobicContact CG2-CE1 3.78Å; I154-F179 HydrophobicContact CG2-CZ 4.03Å; I154-F179 PolarHBondContact N-O 2.88Å; I154-F179 PolarHBondContact O-N 3.38Å; I154-I181 HydrophobicContact CD1-CD1 4.23Å; I154-I181 HydrophobicContact CG1-CD1 4.12Å; I154-I181 HydrophobicContact CG1-CG1 4.25Å
155I98.4Very high95.8Very high3 Ų348.2 Ų48.22%0.01527%0.269CS..EExtended strand (participates in β ladder)trans-123.4128.1178.4-57.5154.9000108.2H79 I143 Y144 K146 I148 T153 E176 W177 K178H79-I155 HydrophobicContact CB-CD1 4.44Å; I143-I155 CarbonylContact C-O 3.54Å; I143-I155 WeakPolarHBondContact CA-O 3.46Å; Y144-I155 PolarHBondContact N-O 2.74Å; Y144-I155 PolarHBondContact O-N 3.45Å; K146-I155 HydrophobicContact CB-CD1 4.49Å; K146-I155 HydrophobicContact CD-CD1 4.33Å; I148-I155 HydrophobicContact CD1-CD1 4.14Å; T153-I155 HydrophobicContact CG2-CG1 4.1Å; I155-E176 HydrophobicContact CG2-CG 4.2Å; I155-W177 CarbonylContact C-O 3.57Å; I155-W177 WeakPolarHBondContact CA-O 3.34Å; I155-K178 HydrophobicContact CG1-CB 4.26Å
156V98.7Very high95.8Very high0 Ų055.9 Ų55.90%030%0.295CS..EExtended strand (participates in β ladder)trans-118120-179.2179.90000108V124 V128 I143 I154 I158 E176 W177 F228V124-V156 HydrophobicContact CG1-CG2 3.67Å; V128-V156 HydrophobicContact CB-CG1 4.45Å; V128-V156 HydrophobicContact CG1-CG1 3.75Å; V128-V156 HydrophobicContact CG2-CG1 4.01Å; V128-V156 HydrophobicContact CG2-CG2 4.43Å; I143-V156 HydrophobicContact CG1-CB 4.47Å; I143-V156 HydrophobicContact CG1-CG1 4.19Å; I143-V156 HydrophobicContact CG1-CG2 4.02Å; I143-V156 HydrophobicContact CG2-CG2 4.22Å; I154-V156 HydrophobicContact CG2-CG2 4.23Å; V156-I158 HydrophobicContact CG1-CD1 4.44Å; V156-I158 HydrophobicContact CG1-CG1 4.2Å; V156-E176 CarbonylContact O-C 3.55Å; V156-E176 WeakPolarHBondContact O-CA 3.46Å; V156-W177 HydrophobicContact CB-CB 4.26Å; V156-W177 PolarHBondContact N-O 3.09Å; V156-W177 PolarHBondContact O-N 2.84Å; V156-F228 HydrophobicContact CB-CE1 4.35Å; V156-F228 HydrophobicContact CB-CZ 4.24Å; V156-F228 HydrophobicContact CG2-CE1 3.71Å; V156-F228 HydrophobicContact CG2-CZ 3.8Å
157C98.8Very high96Very high0 Ų056.8 Ų56.80%030%0.303CS..EExtended strand (participates in β ladder)trans-110.6133.4173-58.30000108.8F62 L75 T77 C141 T142 S175F62-C157 HydrophobicContact CD2-CB 4.02Å; F62-C157 HydrophobicContact CE2-CB 3.77Å; F62-C157 HydrophobicContact CZ-CB 4.19Å; L75-C157 HydrophobicContact CD1-CB 3.76Å; L75-C157 VanDerWaalsContact CD1-O 3.3Å; L75-C157 WeakPolarHBondContact CD1-O 3.46Å; T77-C157 HydrophobicContact CG2-CB 4.08Å; C141-C157 CarbonylContact C-O 3.55Å; C141-C157 WeakPolarHBondContact CA-O 3.31Å; C141-C157 WeakPolarHBondContact CB-O 3.45Å; T142-C157 PolarHBondContact N-O 3.44Å; T142-C157 PolarHBondContact O-N 2.92Å; C157-S175 WeakPolarHBondContact CA-O 3.47Å
158I98.8Very high96.1Very high0 Ų057 Ų570%030%0.297CS..EExtended strand (participates in β ladder)trans-125.7135.3175.5-57.2172.2000108V128 Y131 V132 Y136 V140 C141 V156 R174 S175 M232V128-I158 HydrophobicContact CG1-CD1 4.17Å; V128-I158 HydrophobicContact CG1-CG1 4.38Å; Y131-I158 HydrophobicContact CD1-CD1 4.49Å; Y131-I158 HydrophobicContact CE1-CD1 4.37Å; V132-I158 HydrophobicContact CG2-CD1 3.79Å; V132-I158 HydrophobicContact CG2-CG1 3.99Å; V132-I158 HydrophobicContact CG2-CG2 3.96Å; Y136-I158 HydrophobicContact CD2-CG2 4.46Å; Y136-I158 HydrophobicContact CE2-CG2 4.21Å; V140-I158 WeakPolarHBondContact O-CA 3.44Å; C141-I158 HydrophobicContact CB-CG1 4.03Å; V156-I158 HydrophobicContact CG1-CD1 4.44Å; V156-I158 HydrophobicContact CG1-CG1 4.2Å; I158-R174 CarbonylContact O-C 3.5Å; I158-R174 WeakPolarHBondContact O-CA 3.27Å; I158-S175 PolarHBondContact N-O 3.18Å; I158-S175 PolarHBondContact O-N 3.12Å; I158-M232 HydrophobicContact CD1-CE 4.14Å; I158-M232 HydrophobicContact CD1-SD 3.56Å; I158-M232 VanDerWaalsContact CD1-SD 3.56Å
159E98.6Very high96.5Very high0 Ų056.8 Ų56.80%029%0.291CS..EExtended strand (participates in β ladder)trans-130.6141.1171.8-165.3-91.4176.300109.4F62 L75 G139 V140 H161 R172 W173 R174F62-E159 HydrophobicContact CB-CB 3.95Å; F62-E159 HydrophobicContact CB-CG 4.08Å; L75-E159 HydrophobicContact CD1-CB 4.27Å; L75-E159 HydrophobicContact CD2-CB 3.78Å; G139-E159 CarbonylContact C-O 3.59Å; G139-E159 WeakPolarHBondContact CA-O 3.27Å; V140-E159 PolarHBondContact N-O 2.89Å; V140-E159 PolarHBondContact O-N 3.42Å; E159-H161 VanDerWaalsContact CD-ND1 3.31Å; E159-H161 VanDerWaalsContact OE1-CB 3.32Å; E159-H161 WeakPolarHBondContact OE1-CB 3.41Å; E159-H161 IonicContact OE1-CG 3.69Å; E159-H161 IonicContact OE1-ND1 3.65Å; E159-H161 PolarHBondContact OE1-ND1 2.75Å; E159-H161 IonicContact OE2-CE1 3.97Å; E159-H161 IonicContact OE2-CG 2.74Å; E159-H161 IonicContact OE2-ND1 2.98Å; E159-H161 PolarHBondContact OE2-ND1 3.42Å; E159-R172 HydrophobicContact CG-CG 4.46Å; E159-R172 IonicContact OE1-CZ 2.68Å; E159-R172 IonicContact OE1-NE 3.67Å; E159-R172 PolarHBondContact OE1-NE 3.33Å; E159-R172 IonicContact OE1-NH2 3.07Å; E159-W173 WeakPolarHBondContact CA-O 3.35Å; E159-R174 HydrophobicContact CG-CG 4.17Å
160C98.4Very high96.8Very high18 Ų1849.6 Ų49.612%0.12225%0.253CS..EExtended strand (participates in β ladder)trans-145.8130.6166.6-177.10000108.2Y136 W173Y136-C160 HydrophobicContact CD1-CB 3.44Å; Y136-C160 VanDerWaalsContact CD1-CB 3.44Å; Y136-C160 HydrophobicContact CE1-CB 4.24Å; Y136-C160 HydrophobicContact CG-CB 4.14Å; C160-W173 PolarHBondContact N-O 2.89Å; C160-W173 PolarHBondContact O-N 2.77Å
161H97.8Very high97.2Very high52 Ų5246.9 Ų46.924%0.24123%0.225CC..EExtended strand (participates in β ladder)trans-130.1159.8177.462.9-88.9000112.2E159 F163 G171 R172E159-H161 VanDerWaalsContact CD-ND1 3.31Å; E159-H161 VanDerWaalsContact OE1-CB 3.32Å; E159-H161 WeakPolarHBondContact OE1-CB 3.41Å; E159-H161 IonicContact OE1-CG 3.69Å; E159-H161 IonicContact OE1-ND1 3.65Å; E159-H161 PolarHBondContact OE1-ND1 2.75Å; E159-H161 IonicContact OE2-CE1 3.97Å; E159-H161 IonicContact OE2-CG 2.74Å; E159-H161 IonicContact OE2-ND1 2.98Å; E159-H161 PolarHBondContact OE2-ND1 3.42Å; H161-F163 HydrophobicContact CB-CD1 4.39Å; H161-F163 HydrophobicContact CB-CE1 3.65Å; H161-F163 HydrophobicContact CB-CE2 4.1Å; H161-F163 HydrophobicContact CB-CZ 3.47Å; H161-F163 VanDerWaalsContact CB-CZ 3.47Å; H161-F163 AromaticContact CD2-CD2 3.51Å; H161-F163 AromaticContact CD2-CE2 3.25Å; H161-F163 WeakPolarHBondContact CD2-CE2 3.43Å; H161-F163 AromaticContact CD2-CZ 3.61Å; H161-F163 AromaticContact CG-CE2 3.71Å; H161-F163 AromaticContact CG-CZ 3.6Å; H161-F163 AromaticContact NE2-CE2 3.88Å; H161-G171 VanDerWaalsContact CA-O 3.31Å; H161-G171 WeakPolarHBondContact CA-O 3.28Å; H161-G171 WeakPolarHBondContact CB-O 3.19Å; H161-R172 HydrophobicContact CB-CB 4.26Å; H161-R172 HydrophobicContact CB-CG 4.4Å
162Q97.6Very high97.5Very high88 Ų8842.1 Ų42.141%0.41120%0.203SC..EExtended strand (participates in β ladder)trans-141.7115.4169.7-172.1167.8-1200108.4Q164 W169 G171Q162-Q164 HydrophobicContact CG-CG 4.41Å; Q162-Q164 VanDerWaalsContact NE2-NE2 3.19Å; Q162-W169 HydrophobicContact CB-CH2 4.04Å; Q162-W169 HydrophobicContact CB-CZ3 4.1Å; Q162-W169 VanDerWaalsContact CD-CH2 3.43Å; Q162-W169 HydrophobicContact CG-CH2 3.53Å; Q162-W169 HydrophobicContact CG-CZ2 4.35Å; Q162-W169 HydrophobicContact CG-CZ3 4.05Å; Q162-G171 PolarHBondContact N-O 2.98Å; Q162-G171 PolarHBondContact O-N 2.96Å
163F96.8Very high97.7Very high66 Ų6640.8 Ų40.829%0.28920%0.195SC..EExtended strand (participates in β ladder)trans-112.8120.6-178.9-57.5-30.5000109.9P26 H161 N170P26-F163 HydrophobicContact CB-CE1 3.89Å; P26-F163 HydrophobicContact CB-CZ 4.13Å; H161-F163 HydrophobicContact CB-CD1 4.39Å; H161-F163 HydrophobicContact CB-CE1 3.65Å; H161-F163 HydrophobicContact CB-CE2 4.1Å; H161-F163 HydrophobicContact CB-CZ 3.47Å; H161-F163 VanDerWaalsContact CB-CZ 3.47Å; H161-F163 AromaticContact CD2-CD2 3.51Å; H161-F163 AromaticContact CD2-CE2 3.25Å; H161-F163 WeakPolarHBondContact CD2-CE2 3.43Å; H161-F163 AromaticContact CD2-CZ 3.61Å; H161-F163 AromaticContact CG-CE2 3.71Å; H161-F163 AromaticContact CG-CZ 3.6Å; H161-F163 AromaticContact NE2-CE2 3.88Å; F163-N170 WeakPolarHBondContact CA-OD1 3.4Å; F163-N170 VanDerWaalsContact CB-OD1 3.24Å; F163-N170 WeakPolarHBondContact CB-OD1 3.37Å; F163-N170 HydrophobicContact CD1-CB 3.75Å; F163-N170 HydrophobicContact CE1-CB 4.33Å
164Q96.6Very high97.8Very high61 Ų6141.5 Ų41.529%0.28520%0.197SC..EExtended strand (participates in β ladder)trans-130.869.6178.5-63.9-163-9.300109.8Q162 K166 N167 F168 W169 N170Q162-Q164 HydrophobicContact CG-CG 4.41Å; Q162-Q164 VanDerWaalsContact NE2-NE2 3.19Å; Q164-K166 PolarHBondContact O-N 3.15Å; Q164-N167 HydrophobicContact CB-CB 4.04Å; Q164-N167 CarbonylContact O-C 3.57Å; Q164-N167 WeakPolarHBondContact O-CA 3.3Å; Q164-N167 PolarHBondContact O-N 3.24Å; Q164-N167 PolarHBondContact OE1-ND2 2.84Å; Q164-F168 PolarHBondContact O-N 3Å; Q164-W169 CarbonylContact C-O 3.56Å; Q164-W169 VanDerWaalsContact C-O 3.3Å; Q164-W169 WeakPolarHBondContact CA-O 3.38Å; Q164-W169 HydrophobicContact CB-CD2 4.24Å; Q164-W169 HydrophobicContact CB-CZ2 4.14Å; Q164-W169 HydrophobicContact CG-CH2 4.34Å; Q164-W169 HydrophobicContact CG-CZ2 3.75Å; Q164-W169 PolarHBondContact N-O 2.85Å; Q164-W169 PolarHBondContact O-N 2.9Å; Q164-W169 VanDerWaalsContact OE1-CZ2 3.23Å; Q164-W169 VanDerWaalsContact OE1-NE1 3.14Å; Q164-N170 PolarHBondContact N-OD1 2.92Å
165P94.7Very high97.8Very high74 Ų7441.6 Ų41.648%0.48120%0.197SC..G310 helixtrans-60.8-30.6-177.223.6-34.3000112.9N167 F168 Y199P165-N167 PolarHBondContact O-N 3.06Å; P165-F168 PolarHBondContact O-N 3.4Å; P165-F168 VanDerWaalsContact O-N 3.09Å; P165-Y199 WeakPolarHBondContact CA-OH 3.13Å
166K96.8Very high97.8Very high189 Ų18942.8 Ų42.882%0.82220%0.203SC*.G310 helixtrans-64.3-23.4173.6-65.9-174.3-179.6179.90113.8Q164Q164-K166 PolarHBondContact O-N 3.15Å
167N97.2Very high97.8Very high84 Ų8442.9 Ų42.945%0.44920%0.203SC..G310 helixtrans-105.912.6177.9-60-21.7000110.9Q164 P165 W169Q164-N167 HydrophobicContact CB-CB 4.04Å; Q164-N167 CarbonylContact O-C 3.57Å; Q164-N167 WeakPolarHBondContact O-CA 3.3Å; Q164-N167 PolarHBondContact O-N 3.24Å; Q164-N167 PolarHBondContact OE1-ND2 2.84Å; P165-N167 PolarHBondContact O-N 3.06Å; N167-W169 VanDerWaalsContact C-N 3.26Å; N167-W169 VanDerWaalsContact O-CD1 3.29Å; N167-W169 PolarHBondContact O-N 2.79Å
168F97.2Very high97.8Very high85 Ų8547.6 Ų47.637%0.37322%0.224SC..THydrogen-bonded Turntrans57.233.7176.5-51.1-86.3000114.5Q164 P165 Y198 Y199 E200Q164-F168 PolarHBondContact O-N 3Å; P165-F168 PolarHBondContact O-N 3.4Å; P165-F168 VanDerWaalsContact O-N 3.09Å; F168-Y198 WeakPolarHBondContact O-CA 3.15Å; F168-Y199 VanDerWaalsContact C-CE1 3.45Å; F168-Y199 HydrophobicContact CB-CD2 3.88Å; F168-Y199 HydrophobicContact CB-CE2 3.87Å; F168-Y199 HydrophobicContact CB-CG 4.31Å; F168-Y199 AromaticContact CD1-CD2 3.84Å; F168-Y199 HydrophobicContact CD1-CD2 3.84Å; F168-Y199 AromaticContact CD1-CE2 3.65Å; F168-Y199 HydrophobicContact CD1-CE2 3.65Å; F168-Y199 HydrophobicContact CG-CD2 4.37Å; F168-Y199 HydrophobicContact CG-CE2 4.23Å; F168-Y199 VanDerWaalsContact O-CD1 3.26Å; F168-Y199 WeakPolarHBondContact O-CD1 3.33Å; F168-Y199 WeakPolarHBondContact O-CE1 3.4Å; F168-Y199 PolarHBondContact O-N 2.92Å; F168-E200 HydrophobicContact CB-CB 3.81Å; F168-E200 HydrophobicContact CB-CG 4.43Å; F168-E200 HydrophobicContact CD2-CB 4.11Å; F168-E200 HydrophobicContact CD2-CG 3.78Å; F168-E200 HydrophobicContact CE2-CG 4.3Å; F168-E200 HydrophobicContact CG-CB 4.05Å; F168-E200 HydrophobicContact CG-CG 4.17Å
169W98.1Very high97.7Very high68 Ų6847.7 Ų47.726%0.25822%0.224SC..EExtended strand (participates in β ladder)trans-147.9148.4175.774.5-96000114.3Q162 Q164 N167 H197 Y198Q162-W169 HydrophobicContact CB-CH2 4.04Å; Q162-W169 HydrophobicContact CB-CZ3 4.1Å; Q162-W169 VanDerWaalsContact CD-CH2 3.43Å; Q162-W169 HydrophobicContact CG-CH2 3.53Å; Q162-W169 HydrophobicContact CG-CZ2 4.35Å; Q162-W169 HydrophobicContact CG-CZ3 4.05Å; Q164-W169 CarbonylContact C-O 3.56Å; Q164-W169 VanDerWaalsContact C-O 3.3Å; Q164-W169 WeakPolarHBondContact CA-O 3.38Å; Q164-W169 HydrophobicContact CB-CD2 4.24Å; Q164-W169 HydrophobicContact CB-CZ2 4.14Å; Q164-W169 HydrophobicContact CG-CH2 4.34Å; Q164-W169 HydrophobicContact CG-CZ2 3.75Å; Q164-W169 PolarHBondContact N-O 2.85Å; Q164-W169 PolarHBondContact O-N 2.9Å; Q164-W169 VanDerWaalsContact OE1-CZ2 3.23Å; Q164-W169 VanDerWaalsContact OE1-NE1 3.14Å; N167-W169 VanDerWaalsContact C-N 3.26Å; N167-W169 VanDerWaalsContact O-CD1 3.29Å; N167-W169 PolarHBondContact O-N 2.79Å; W169-H197 CarbonylContact C-O 3.31Å; W169-H197 WeakPolarHBondContact CA-O 3.4Å; W169-Y198 HydrophobicContact CB-CD2 3.93Å
170N98Very high97.6Very high1 Ų149.8 Ų49.81%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-139.5144.3176.9-66.1-51.3000110.3P26 E28 F163 Q164 V196 H197P26-N170 WeakPolarHBondContact O-CB 3.29Å; E28-N170 WeakPolarHBondContact CG-ND2 3.4Å; E28-N170 PolarHBondContact OE1-ND2 3.14Å; F163-N170 WeakPolarHBondContact CA-OD1 3.4Å; F163-N170 VanDerWaalsContact CB-OD1 3.24Å; F163-N170 WeakPolarHBondContact CB-OD1 3.37Å; F163-N170 HydrophobicContact CD1-CB 3.75Å; F163-N170 HydrophobicContact CE1-CB 4.33Å; Q164-N170 PolarHBondContact N-OD1 2.92Å; N170-V196 CarbonylContact O-C 3.54Å; N170-V196 WeakPolarHBondContact O-CA 3.39Å; N170-H197 PolarHBondContact N-O 3.1Å; N170-H197 PolarHBondContact O-N 2.81Å
171G97.8Very high97.3Very high11 Ų1150.2 Ų50.211%0.11324%0.238CC..EExtended strand (participates in β ladder)trans-139.5144.2177.400000111.8H161 Q162 Q195H161-G171 VanDerWaalsContact CA-O 3.31Å; H161-G171 WeakPolarHBondContact CA-O 3.28Å; H161-G171 WeakPolarHBondContact CB-O 3.19Å; Q162-G171 PolarHBondContact N-O 2.98Å; Q162-G171 PolarHBondContact O-N 2.96Å; G171-Q195 CarbonylContact C-O 3.54Å; G171-Q195 WeakPolarHBondContact CA-O 3.39Å
172R98.4Very high97Very high16 Ų1649 Ų496%0.0624%0.236CC..EExtended strand (participates in β ladder)trans-142.4133.4174177.1175.1-79.3151.3-9.2111.1P26 Q61 E159 H161 R174 Q195P26-R172 HydrophobicContact CB-CB 3.68Å; P26-R172 VanDerWaalsContact CB-NH1 3.33Å; P26-R172 HydrophobicContact CG-CB 3.96Å; Q61-R172 VanDerWaalsContact OE1-CD 3.3Å; E159-R172 HydrophobicContact CG-CG 4.46Å; E159-R172 IonicContact OE1-CZ 2.68Å; E159-R172 IonicContact OE1-NE 3.67Å; E159-R172 PolarHBondContact OE1-NE 3.33Å; E159-R172 IonicContact OE1-NH2 3.07Å; H161-R172 HydrophobicContact CB-CB 4.26Å; H161-R172 HydrophobicContact CB-CG 4.4Å; R172-R174 HydrophobicContact CG-CG 4.04Å; R172-Q195 PolarHBondContact N-O 2.9Å; R172-Q195 PolarHBondContact O-N 2.84Å
173W98.6Very high96.5Very high33 Ų3351.3 Ų51.313%0.12526%0.258CS..EExtended strand (participates in β ladder)trans-104.6137.2165.2176-81.3000109.6Y136 E159 C160 S175 M192 I194 E236 Y239Y136-W173 HydrophobicContact CE1-CB 4.47Å; Y136-W173 AromaticContact CE1-CD1 3.49Å; Y136-W173 VanDerWaalsContact CE1-CD1 3.49Å; Y136-W173 HydrophobicContact CE1-CD2 4.18Å; Y136-W173 AromaticContact CE1-CG 3.83Å; Y136-W173 HydrophobicContact CE1-CG 3.83Å; Y136-W173 AromaticContact CE1-NE1 3.71Å; Y136-W173 AromaticContact CZ-CD1 3.96Å; Y136-W173 AromaticContact CZ-NE1 3.71Å; Y136-W173 VanDerWaalsContact OH-CE2 3.22Å; Y136-W173 WeakPolarHBondContact OH-CZ2 3.34Å; Y136-W173 PolarHBondContact OH-NE1 2.85Å; E159-W173 WeakPolarHBondContact CA-O 3.35Å; C160-W173 PolarHBondContact N-O 2.89Å; C160-W173 PolarHBondContact O-N 2.77Å; W173-S175 PolarHBondContact NE1-OG 3.43Å; W173-M192 HydrophobicContact CH2-CB 4.21Å; W173-M192 HydrophobicContact CH2-CG 4.31Å; W173-M192 HydrophobicContact CH2-SD 4.47Å; W173-M192 HydrophobicContact CZ2-CB 3.96Å; W173-M192 HydrophobicContact CZ2-CG 3.84Å; W173-M192 HydrophobicContact CZ2-SD 4.41Å; W173-I194 HydrophobicContact CD2-CG1 4.33Å; W173-I194 HydrophobicContact CE3-CD1 3.48Å; W173-I194 VanDerWaalsContact CE3-CD1 3.48Å; W173-I194 HydrophobicContact CE3-CG1 3.42Å; W173-I194 VanDerWaalsContact CE3-CG1 3.42Å; W173-I194 HydrophobicContact CZ3-CD1 3.36Å; W173-I194 HydrophobicContact CZ3-CG1 3.69Å; W173-E236 HydrophobicContact CH2-CB 4.4Å; W173-E236 HydrophobicContact CH2-CG 4.42Å; W173-E236 HydrophobicContact CZ2-CB 4.26Å; W173-E236 HydrophobicContact CZ2-CG 3.87Å; W173-Y239 AromaticContact CH2-CD1 3.57Å; W173-Y239 HydrophobicContact CH2-CD1 3.57Å; W173-Y239 HydrophobicContact CH2-CE1 4.04Å; W173-Y239 AromaticContact CZ3-CD1 3.92Å; W173-Y239 HydrophobicContact CZ3-CD1 3.92Å; W173-Y239 HydrophobicContact CZ3-CE1 4.06Å
174R98.6Very high96.2Very high23 Ų2351.6 Ų51.69%0.08727%0.268CS..EExtended strand (participates in β ladder)trans-135.3136169.4-67.5167.2-69.3173.7-7.7109D60 F62 I158 E159 R172 M192 K193D60-R174 WeakPolarHBondContact O-CD 3.16Å; D60-R174 PolarHBondContact O-NH1 3.45Å; F62-R174 HydrophobicContact CB-CG 4.38Å; F62-R174 HydrophobicContact CD2-CB 4.09Å; F62-R174 HydrophobicContact CD2-CG 4.2Å; F62-R174 HydrophobicContact CE2-CB 4.45Å; F62-R174 HydrophobicContact CG-CG 4.45Å; I158-R174 CarbonylContact O-C 3.5Å; I158-R174 WeakPolarHBondContact O-CA 3.27Å; E159-R174 HydrophobicContact CG-CG 4.17Å; R172-R174 HydrophobicContact CG-CG 4.04Å; R174-M192 CarbonylContact O-C 3.54Å; R174-K193 HydrophobicContact CB-CB 4.49Å; R174-K193 PolarHBondContact N-O 2.83Å; R174-K193 PolarHBondContact O-N 2.88Å
175S98.5Very high96Very high1 Ų153 Ų531%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-134.5139.2166.455.40000111.6C157 I158 W173 I191 E236C157-S175 WeakPolarHBondContact CA-O 3.47Å; I158-S175 PolarHBondContact N-O 3.18Å; I158-S175 PolarHBondContact O-N 3.12Å; W173-S175 PolarHBondContact NE1-OG 3.43Å; S175-I191 CarbonylContact C-O 3.53Å; S175-I191 VanDerWaalsContact CA-O 3.27Å; S175-I191 WeakPolarHBondContact CA-O 3.48Å; S175-E236 WeakPolarHBondContact CB-OE1 3.49Å; S175-E236 PolarHBondContact OG-OE1 2.8Å
176E98.6Very high96.1Very high29 Ų2950 Ų5014%0.13626%0.262CS..EExtended strand (participates in β ladder)trans-120.7130.2172.7-177.5-176.9111.700108.6F62 H79 I155 V156 G190 I191F62-E176 HydrophobicContact CE2-CB 4.17Å; F62-E176 HydrophobicContact CZ-CB 4Å; H79-E176 IonicContact CD2-OE2 3.04Å; H79-E176 IonicContact CE1-OE2 2.64Å; H79-E176 VanDerWaalsContact NE2-CD 3.32Å; H79-E176 IonicContact NE2-OE1 2.99Å; H79-E176 IonicContact NE2-OE2 3.47Å; H79-E176 PolarHBondContact NE2-OE2 2.76Å; I155-E176 HydrophobicContact CG2-CG 4.2Å; V156-E176 CarbonylContact O-C 3.55Å; V156-E176 WeakPolarHBondContact O-CA 3.46Å; E176-G190 CarbonylContact O-C 3.58Å; E176-G190 VanDerWaalsContact O-CA 3.28Å; E176-G190 WeakPolarHBondContact O-CA 3.42Å; E176-I191 HydrophobicContact CB-CG2 3.85Å; E176-I191 PolarHBondContact N-O 2.99Å; E176-I191 PolarHBondContact O-N 2.91Å
177W98.6Very high96Very high1 Ų145.2 Ų45.20%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-129.7137.1180-63.391000109.6I155 V156 V188 A189 M192 V212 F228 M232 A235 E236I155-W177 CarbonylContact C-O 3.57Å; I155-W177 WeakPolarHBondContact CA-O 3.34Å; V156-W177 HydrophobicContact CB-CB 4.26Å; V156-W177 PolarHBondContact N-O 3.09Å; V156-W177 PolarHBondContact O-N 2.84Å; W177-V188 HydrophobicContact CE3-CG1 3.89Å; W177-V188 HydrophobicContact CZ3-CG1 4.3Å; W177-A189 CarbonylContact C-O 3.58Å; W177-A189 WeakPolarHBondContact CA-O 3.33Å; W177-M192 HydrophobicContact CH2-CE 4.35Å; W177-M192 HydrophobicContact CH2-SD 4.43Å; W177-M192 HydrophobicContact CZ2-CE 4.32Å; W177-M192 HydrophobicContact CZ2-CG 4.03Å; W177-M192 HydrophobicContact CZ2-SD 3.92Å; W177-V212 HydrophobicContact CH2-CB 4.3Å; W177-V212 HydrophobicContact CH2-CG1 4.43Å; W177-V212 HydrophobicContact CZ3-CB 4.37Å; W177-V212 HydrophobicContact CZ3-CG1 4.34Å; W177-F228 HydrophobicContact CB-CE2 4.11Å; W177-F228 HydrophobicContact CB-CZ 3.61Å; W177-F228 HydrophobicContact CG-CZ 4.36Å; W177-M232 HydrophobicContact CD2-CB 4.46Å; W177-M232 HydrophobicContact CD2-CG 4.15Å; W177-M232 HydrophobicContact CG-CG 4.41Å; W177-M232 HydrophobicContact CG-SD 4.21Å; W177-M232 HydrophobicContact CZ2-CB 4.48Å; W177-M232 HydrophobicContact CZ2-CG 4.02Å; W177-A235 HydrophobicContact CH2-CB 3.56Å; W177-A235 HydrophobicContact CZ2-CB 4.29Å; W177-A235 HydrophobicContact CZ3-CB 4.45Å; W177-E236 HydrophobicContact CZ2-CG 3.92Å; W177-E236 PolarHBondContact NE1-OE1 2.65Å; W177-E236 VanDerWaalsContact NE1-OE1 3.09Å
178K97.5Very high96Very high99 Ų9941.2 Ų41.243%0.4322%0.221SC..EExtended strand (participates in β ladder)trans-137.5141.7179.363.7-171.3174.2-167.80111.4T153 I154 I155 V188 A189T153-K178 HydrophobicContact CG2-CB 4.27Å; I154-K178 VanDerWaalsContact O-CA 3.3Å; I154-K178 WeakPolarHBondContact O-CA 3.47Å; I155-K178 HydrophobicContact CG1-CB 4.26Å; K178-V188 WeakPolarHBondContact O-CA 3.32Å; K178-A189 HydrophobicContact CD-CB 4.45Å; K178-A189 HydrophobicContact CG-CB 3.86Å; K178-A189 PolarHBondContact N-O 3.29Å; K178-A189 PolarHBondContact O-N 2.75Å
179F97.1Very high96Very high2 Ų238.6 Ų38.61%0.00921%0.214CC..EExtended strand (participates in β ladder)trans-145.9146.9168.570.1-90000110.4V124 T153 I154 I181 T186 V188 M216 T224 F228V124-F179 HydrophobicContact CG2-CE1 4.19Å; V124-F179 HydrophobicContact CG2-CZ 3.92Å; T153-F179 WeakPolarHBondContact CA-O 3.43Å; T153-F179 WeakPolarHBondContact CG2-O 3.32Å; I154-F179 HydrophobicContact CB-CD1 4.17Å; I154-F179 HydrophobicContact CB-CE1 3.63Å; I154-F179 HydrophobicContact CB-CE2 4.14Å; I154-F179 HydrophobicContact CB-CZ 3.62Å; I154-F179 HydrophobicContact CG1-CE1 4.27Å; I154-F179 HydrophobicContact CG1-CE2 4.04Å; I154-F179 HydrophobicContact CG1-CZ 3.72Å; I154-F179 HydrophobicContact CG2-CE1 3.78Å; I154-F179 HydrophobicContact CG2-CZ 4.03Å; I154-F179 PolarHBondContact N-O 2.88Å; I154-F179 PolarHBondContact O-N 3.38Å; F179-I181 HydrophobicContact CE2-CG1 4.41Å; F179-T186 HydrophobicContact CB-CG2 4.13Å; F179-T186 HydrophobicContact CD2-CG2 4.21Å; F179-V188 HydrophobicContact CB-CG2 4.13Å; F179-M216 HydrophobicContact CG-SD 4.42Å; F179-T224 HydrophobicContact CE2-CG2 4.38Å; F179-F228 AromaticContact CD1-CD2 3.46Å; F179-F228 HydrophobicContact CD1-CD2 3.46Å; F179-F228 VanDerWaalsContact CD1-CD2 3.46Å; F179-F228 AromaticContact CD1-CE2 3.46Å; F179-F228 HydrophobicContact CD1-CE2 3.46Å; F179-F228 VanDerWaalsContact CD1-CE2 3.46Å; F179-F228 HydrophobicContact CD1-CG 4.17Å; F179-F228 HydrophobicContact CD1-CZ 4.17Å; F179-F228 HydrophobicContact CE1-CD1 4.36Å; F179-F228 AromaticContact CE1-CD2 3.73Å; F179-F228 HydrophobicContact CE1-CD2 3.73Å; F179-F228 AromaticContact CE1-CE2 3.92Å; F179-F228 HydrophobicContact CE1-CE2 3.92Å; F179-F228 AromaticContact CE1-CG 3.95Å; F179-F228 HydrophobicContact CE1-CG 3.95Å; F179-F228 HydrophobicContact CE1-CZ 4.31Å; F179-F228 HydrophobicContact CG-CD2 4.37Å
180T95.6Very high96Very high44 Ų4435.6 Ų35.627%0.2721%0.205SC..EExtended strand (participates in β ladder)trans-92.9132.4178.1-66.10000110H151 Q152 T153 S182 T186H151-T180 HydrophobicContact CB-CG2 3.69Å; Q152-T180 CarbonylContact O-C 3.55Å; Q152-T180 WeakPolarHBondContact O-CA 3.49Å; Q152-T180 WeakPolarHBondContact O-CG2 3.41Å; T153-T180 PolarHBondContact OG1-OG1 3.45Å; T180-S182 PolarHBondContact O-N 2.88Å; T180-T186 PolarHBondContact N-OG1 3.42Å; T180-T186 WeakPolarHBondContact O-CB 3.35Å; T180-T186 PolarHBondContact O-OG1 2.89Å
181I93.5Very high96Very high28 Ų2837.3 Ų37.314%0.14421%0.214CC..  trans-68.4121.5174.9-55.8174.1000107.6M117 W120 Q152 I154 F179M117-I181 HydrophobicContact CG-CD1 4.26Å; W120-I181 HydrophobicContact CB-CD1 3.85Å; W120-I181 HydrophobicContact CD2-CD1 4.1Å; W120-I181 HydrophobicContact CD2-CG1 4.46Å; W120-I181 HydrophobicContact CD2-CG2 4.36Å; W120-I181 HydrophobicContact CG-CD1 3.61Å; W120-I181 HydrophobicContact CG-CG1 4.44Å; W120-I181 HydrophobicContact CZ2-CG2 4.19Å; Q152-I181 HydrophobicContact CB-CB 4.22Å; Q152-I181 HydrophobicContact CB-CD1 4.07Å; Q152-I181 HydrophobicContact CB-CG1 4.41Å; Q152-I181 PolarHBondContact O-N 3.01Å; I154-I181 HydrophobicContact CD1-CD1 4.23Å; I154-I181 HydrophobicContact CG1-CD1 4.12Å; I154-I181 HydrophobicContact CG1-CG1 4.25Å; F179-I181 HydrophobicContact CE2-CG1 4.41Å
182S91Very high96.1Very high27 Ų2736.8 Ų36.819%0.18921%0.208CC..  trans-137.8160-177.575.20000110.2T180 S184 T185 V218T180-S182 PolarHBondContact O-N 2.88Å; S182-S184 VanDerWaalsContact C-N 3.27Å; S182-S184 PolarHBondContact O-N 3.4Å; S182-T185 PolarHBondContact OG-N 2.9Å; S182-T185 PolarHBondContact OG-O 3.44Å; S182-V218 VanDerWaalsContact O-CB 3.27Å; S182-V218 WeakPolarHBondContact O-CB 3.4Å; S182-V218 WeakPolarHBondContact O-CG1 3.48Å
183P86.3Confident96.1Very high135 Ų13540 Ų4088%0.87722%0.223SC*.SBendtrans-68.5-18.1-176.5-22.834.4000115.7
184S91.3Very high96Very high73 Ų7339.6 Ų39.651%0.5122%0.223SC..SBendtrans-139.6-59.9-172610000113.8S182 S217 V218S182-S184 VanDerWaalsContact C-N 3.27Å; S182-S184 PolarHBondContact O-N 3.4Å; S184-S217 WeakPolarHBondContact O-CA 3.39Å; S184-V218 PolarHBondContact O-N 3.28Å
185T93.5Very high96Very high90 Ų9039.6 Ų39.655%0.55222%0.224SC*.EExtended strand (participates in β ladder)trans-144.1138.2-172.151.80000109.1S182 M216S182-T185 PolarHBondContact OG-N 2.9Å; S182-T185 PolarHBondContact OG-O 3.44Å; T185-M216 WeakPolarHBondContact CA-O 3.15Å
186T95.5Very high96Very high12 Ų1242 Ų427%0.07424%0.238CC..EExtended strand (participates in β ladder)trans-132.9161.6-179.7-165.10000111.3F179 T180 S215 M216 V218F179-T186 HydrophobicContact CB-CG2 4.13Å; F179-T186 HydrophobicContact CD2-CG2 4.21Å; T180-T186 PolarHBondContact N-OG1 3.42Å; T180-T186 WeakPolarHBondContact O-CB 3.35Å; T180-T186 PolarHBondContact O-OG1 2.89Å; T186-S215 WeakPolarHBondContact O-CA 3.24Å; T186-M216 HydrophobicContact CG2-CG 3.41Å; T186-M216 VanDerWaalsContact CG2-CG 3.41Å; T186-M216 HydrophobicContact CG2-SD 3.92Å; T186-M216 PolarHBondContact N-O 2.81Å; T186-M216 PolarHBondContact O-N 2.92Å; T186-V218 HydrophobicContact CG2-CG2 3.45Å; T186-V218 VanDerWaalsContact CG2-CG2 3.45Å
187Q94.8Very high96Very high88 Ų8841.1 Ų41.141%0.41123%0.234SC..EExtended strand (participates in β ladder)trans-92.7129.7171-64.8-62.7-42.200108.9E214 S215Q187-E214 CarbonylContact C-O 3.53Å; Q187-E214 WeakPolarHBondContact CA-O 3.47Å; Q187-E214 PolarHBondContact OE1-O 3.46Å; Q187-S215 PolarHBondContact NE2-OG 2.95Å; Q187-S215 PolarHBondContact OE1-OG 2.93Å
188V97.1Very high96Very high0 Ų045.7 Ų45.70%025%0.252CS..EExtended strand (participates in β ladder)trans-94.7118167.3-179.20000107W177 K178 F179 Q213 E214 M216 F228 I231W177-V188 HydrophobicContact CE3-CG1 3.89Å; W177-V188 HydrophobicContact CZ3-CG1 4.3Å; K178-V188 WeakPolarHBondContact O-CA 3.32Å; F179-V188 HydrophobicContact CB-CG2 4.13Å; V188-Q213 WeakPolarHBondContact O-CA 3.32Å; V188-E214 PolarHBondContact N-O 3.29Å; V188-E214 PolarHBondContact O-N 2.76Å; V188-M216 HydrophobicContact CG2-CB 4.08Å; V188-M216 HydrophobicContact CG2-CG 3.65Å; V188-M216 HydrophobicContact CG2-SD 3.37Å; V188-M216 WeakPolarHBondContact CG2-SD 3.21Å; V188-F228 HydrophobicContact CG1-CD2 4.08Å; V188-F228 HydrophobicContact CG1-CE2 3.8Å; V188-F228 HydrophobicContact CG2-CD2 4.19Å; V188-I231 HydrophobicContact CG1-CG2 4.45Å; V188-I231 HydrophobicContact CG2-CD1 4.31Å
189A98.1Very high95.9Very high29 Ų2943.9 Ų43.924%0.2424%0.243CC..EExtended strand (participates in β ladder)trans-107.7130.3171.800000109.2W177 K178 V212W177-A189 CarbonylContact C-O 3.58Å; W177-A189 WeakPolarHBondContact CA-O 3.33Å; K178-A189 HydrophobicContact CD-CB 4.45Å; K178-A189 HydrophobicContact CG-CB 3.86Å; K178-A189 PolarHBondContact N-O 3.29Å; K178-A189 PolarHBondContact O-N 2.75Å; A189-V212 CarbonylContact C-O 3.57Å; A189-V212 WeakPolarHBondContact CA-O 3.48Å
190G98Very high95.9Very high6 Ų647.8 Ų47.86%0.06226%0.261CS..EExtended strand (participates in β ladder)trans-130.4145.3179.900000112E176 E211 V212E176-G190 CarbonylContact O-C 3.58Å; E176-G190 VanDerWaalsContact O-CA 3.28Å; E176-G190 WeakPolarHBondContact O-CA 3.42Å; G190-E211 CarbonylContact O-C 3.6Å; G190-E211 WeakPolarHBondContact O-CA 3.32Å; G190-V212 PolarHBondContact N-O 2.8Å; G190-V212 PolarHBondContact O-N 2.53Å
191I98.4Very high95.9Very high36 Ų3654 Ų5419%0.18529%0.293CS..EExtended strand (participates in β ladder)trans-131.8123.7168.3-176.4166.9000109.1S175 E176 K193 K210 E211S175-I191 CarbonylContact C-O 3.53Å; S175-I191 VanDerWaalsContact CA-O 3.27Å; S175-I191 WeakPolarHBondContact CA-O 3.48Å; E176-I191 HydrophobicContact CB-CG2 3.85Å; E176-I191 PolarHBondContact N-O 2.99Å; E176-I191 PolarHBondContact O-N 2.91Å; I191-K193 HydrophobicContact CG1-CG 4.21Å; I191-K210 WeakPolarHBondContact CA-O 3.39Å; I191-E211 HydrophobicContact CB-CG 4.35Å; I191-E211 HydrophobicContact CD1-CG 3.99Å; I191-E211 HydrophobicContact CG1-CG 4.07Å
192M98.2Very high96Very high0 Ų054.9 Ų54.90%031%0.309CS..EExtended strand (participates in β ladder)trans-109.7136.6175.1-60.2147.9-75.200108.6W173 R174 W177 H209 K210 V212 E236 Y239W173-M192 HydrophobicContact CH2-CB 4.21Å; W173-M192 HydrophobicContact CH2-CG 4.31Å; W173-M192 HydrophobicContact CH2-SD 4.47Å; W173-M192 HydrophobicContact CZ2-CB 3.96Å; W173-M192 HydrophobicContact CZ2-CG 3.84Å; W173-M192 HydrophobicContact CZ2-SD 4.41Å; R174-M192 CarbonylContact O-C 3.54Å; W177-M192 HydrophobicContact CH2-CE 4.35Å; W177-M192 HydrophobicContact CH2-SD 4.43Å; W177-M192 HydrophobicContact CZ2-CE 4.32Å; W177-M192 HydrophobicContact CZ2-CG 4.03Å; W177-M192 HydrophobicContact CZ2-SD 3.92Å; M192-H209 CarbonylContact O-C 3.55Å; M192-H209 WeakPolarHBondContact O-CA 3.45Å; M192-K210 HydrophobicContact CE-CB 3.99Å; M192-K210 HydrophobicContact CE-CD 4.05Å; M192-K210 HydrophobicContact CE-CG 3.99Å; M192-K210 WeakPolarHBondContact CE-O 3.49Å; M192-K210 PolarHBondContact N-O 2.91Å; M192-K210 PolarHBondContact O-N 2.91Å; M192-V212 HydrophobicContact CE-CB 4.42Å; M192-V212 HydrophobicContact CE-CG2 3.45Å; M192-V212 VanDerWaalsContact CE-CG2 3.45Å; M192-E236 HydrophobicContact CG-CG 4.11Å; M192-E236 HydrophobicContact SD-CB 4.4Å; M192-E236 HydrophobicContact SD-CG 3.7Å; M192-Y239 HydrophobicContact CB-CD1 3.69Å; M192-Y239 HydrophobicContact CB-CE1 3.65Å; M192-Y239 HydrophobicContact CE-CD1 4.44Å; M192-Y239 HydrophobicContact CG-CD1 4.31Å; M192-Y239 HydrophobicContact SD-CD1 3.78Å; M192-Y239 HydrophobicContact SD-CG 4.22Å
193K98.4Very high96.2Very high84 Ų8458.9 Ų58.937%0.36533%0.328SS..EExtended strand (participates in β ladder)trans-132.8133-178.6-60-179.9-176.4173.10109.7R174 I191 S208 H209R174-K193 HydrophobicContact CB-CB 4.49Å; R174-K193 PolarHBondContact N-O 2.83Å; R174-K193 PolarHBondContact O-N 2.88Å; I191-K193 HydrophobicContact CG1-CG 4.21Å; K193-S208 CarbonylContact C-O 3.58Å; K193-S208 WeakPolarHBondContact CA-O 3.46Å; K193-H209 HydrophobicContact CG-CB 4.01Å
194I98.1Very high96.7Very high24 Ų2457.1 Ų57.112%0.12331%0.314CS..EExtended strand (participates in β ladder)trans-123.2134.2175.6-55.1-177.6000108.6W173 V196 L206 S208 Y239 I243W173-I194 HydrophobicContact CD2-CG1 4.33Å; W173-I194 HydrophobicContact CE3-CD1 3.48Å; W173-I194 VanDerWaalsContact CE3-CD1 3.48Å; W173-I194 HydrophobicContact CE3-CG1 3.42Å; W173-I194 VanDerWaalsContact CE3-CG1 3.42Å; W173-I194 HydrophobicContact CZ3-CD1 3.36Å; W173-I194 HydrophobicContact CZ3-CG1 3.69Å; I194-V196 HydrophobicContact CG2-CG2 4.1Å; I194-L206 HydrophobicContact CG2-CD2 4.12Å; I194-S208 PolarHBondContact N-O 3.41Å; I194-S208 PolarHBondContact O-N 2.95Å; I194-Y239 HydrophobicContact CD1-CE1 3.86Å; I194-Y239 HydrophobicContact CG1-CE1 3.99Å; I194-I243 HydrophobicContact CD1-CD1 3.3Å; I194-I243 HydrophobicContact CG1-CD1 4.46Å
195Q98.3Very high96.9Very high23 Ų2357.7 Ų57.711%0.10731%0.309CS..EExtended strand (participates in β ladder)trans-133.3124.5170.6-169.4171.26.800109.8P26 G171 R172 L206 V207P26-Q195 VanDerWaalsContact CD-CD 3.4Å; P26-Q195 HydrophobicContact CG-CB 4.2Å; P26-Q195 HydrophobicContact CG-CG 4.06Å; G171-Q195 CarbonylContact C-O 3.54Å; G171-Q195 WeakPolarHBondContact CA-O 3.39Å; R172-Q195 PolarHBondContact N-O 2.9Å; R172-Q195 PolarHBondContact O-N 2.84Å; Q195-L206 CarbonylContact C-O 3.5Å; Q195-L206 VanDerWaalsContact CA-O 3.26Å; Q195-L206 WeakPolarHBondContact CA-O 3.3Å; Q195-V207 HydrophobicContact CG-CG2 4.37Å
196V98Very high97.1Very high52 Ų5255.3 Ų55.332%0.31529%0.293SS..EExtended strand (participates in β ladder)trans-128.1137.7174.8-176.70000108.5N170 I194 Q205 L206N170-V196 CarbonylContact O-C 3.54Å; N170-V196 WeakPolarHBondContact O-CA 3.39Å; I194-V196 HydrophobicContact CG2-CG2 4.1Å; V196-Q205 CarbonylContact O-C 3.51Å; V196-Q205 VanDerWaalsContact O-CA 3.26Å; V196-Q205 WeakPolarHBondContact O-CA 3.31Å; V196-L206 HydrophobicContact CB-CB 4.13Å; V196-L206 HydrophobicContact CG2-CD2 4.25Å; V196-L206 PolarHBondContact N-O 3.04Å; V196-L206 PolarHBondContact O-N 2.88Å
197H98.4Very high97.2Very high10 Ų1059.6 Ų59.65%0.04632%0.319CS..EExtended strand (participates in β ladder)trans-129.3126.4176.5-176.7-150.3000109.1P25 E28 W169 N170 Y199 N203 Q205P25-H197 HydrophobicContact CB-CB 4.18Å; E28-H197 IonicContact OE1-CE1 3.65Å; E28-H197 IonicContact OE1-CG 2.77Å; E28-H197 IonicContact OE1-ND1 3.67Å; E28-H197 PolarHBondContact OE1-ND1 3.39Å; E28-H197 IonicContact OE2-CE1 3.12Å; E28-H197 PolarHBondContact OE2-CE1 3.44Å; E28-H197 IonicContact OE2-ND1 3.77Å; E28-H197 PolarHBondContact OE2-ND1 3.31Å; W169-H197 CarbonylContact C-O 3.31Å; W169-H197 WeakPolarHBondContact CA-O 3.4Å; N170-H197 PolarHBondContact N-O 3.1Å; N170-H197 PolarHBondContact O-N 2.81Å; H197-Y199 AromaticContact CE1-CD1 3.57Å; H197-Y199 AromaticContact ND1-CD1 3.58Å; H197-N203 PolarHBondContact CD2-OD1 2.91Å; H197-N203 PolarHBondContact NE2-OD1 2.92Å; H197-Q205 HydrophobicContact CB-CG 4.16Å; H197-Q205 WeakPolarHBondContact CD2-CG 3.35Å
198Y98.1Very high97.3Very high98 Ų9856.8 Ų56.838%0.38431%0.309SS..EExtended strand (participates in β ladder)trans-123.9128.6172.5176.9-92.8000108.7F168 W169 E200 V204F168-Y198 WeakPolarHBondContact O-CA 3.15Å; W169-Y198 HydrophobicContact CB-CD2 3.93Å; Y198-E200 HydrophobicContact CE1-CB 3.79Å; Y198-E200 HydrophobicContact CE2-CB 4.03Å; Y198-E200 VanDerWaalsContact CZ-CB 3.42Å; Y198-E200 VanDerWaalsContact OH-CB 3.29Å; Y198-E200 WeakPolarHBondContact OH-CB 3.42Å; Y198-E200 PolarHBondContact OH-OE2 2.87Å; Y198-V204 PolarHBondContact N-O 2.81Å; Y198-V204 PolarHBondContact O-N 2.86Å
199Y97.2Very high97.3Very high60 Ų6062.9 Ų62.924%0.23534%0.337CS..  trans-137.727-169.256.7-90.5000114.6E28 P165 F168 H197 G202E28-Y199 WeakPolarHBondContact OE1-CE1 3.38Å; P165-Y199 WeakPolarHBondContact CA-OH 3.13Å; F168-Y199 VanDerWaalsContact C-CE1 3.45Å; F168-Y199 HydrophobicContact CB-CD2 3.88Å; F168-Y199 HydrophobicContact CB-CE2 3.87Å; F168-Y199 HydrophobicContact CB-CG 4.31Å; F168-Y199 AromaticContact CD1-CD2 3.84Å; F168-Y199 HydrophobicContact CD1-CD2 3.84Å; F168-Y199 AromaticContact CD1-CE2 3.65Å; F168-Y199 HydrophobicContact CD1-CE2 3.65Å; F168-Y199 HydrophobicContact CG-CD2 4.37Å; F168-Y199 HydrophobicContact CG-CE2 4.23Å; F168-Y199 VanDerWaalsContact O-CD1 3.26Å; F168-Y199 WeakPolarHBondContact O-CD1 3.33Å; F168-Y199 WeakPolarHBondContact O-CE1 3.4Å; F168-Y199 PolarHBondContact O-N 2.92Å; H197-Y199 AromaticContact CE1-CD1 3.57Å; H197-Y199 AromaticContact ND1-CD1 3.58Å; Y199-G202 CarbonylContact C-O 3.5Å; Y199-G202 VanDerWaalsContact C-O 3.31Å; Y199-G202 WeakPolarHBondContact CA-O 3.24Å
200E96.9Very high97.3Very high85 Ų8564.8 Ų64.840%0.39734%0.34SS..SBendtrans-80.6120.3168.6-158.2172.1-152.400109.4F168 Y198 G202F168-E200 HydrophobicContact CB-CB 3.81Å; F168-E200 HydrophobicContact CB-CG 4.43Å; F168-E200 HydrophobicContact CD2-CB 4.11Å; F168-E200 HydrophobicContact CD2-CG 3.78Å; F168-E200 HydrophobicContact CE2-CG 4.3Å; F168-E200 HydrophobicContact CG-CB 4.05Å; F168-E200 HydrophobicContact CG-CG 4.17Å; Y198-E200 HydrophobicContact CE1-CB 3.79Å; Y198-E200 HydrophobicContact CE2-CB 4.03Å; Y198-E200 VanDerWaalsContact CZ-CB 3.42Å; Y198-E200 VanDerWaalsContact OH-CB 3.29Å; Y198-E200 WeakPolarHBondContact OH-CB 3.42Å; Y198-E200 PolarHBondContact OH-OE2 2.87Å; E200-G202 PolarHBondContact O-N 2.83Å
201D94.4Very high97.3Very high175 Ų17571.3 Ų71.394%0.93637%0.369SS*.SBendtrans52.722.9179.9-63.2-35.2000115.2
202G95.2Very high97.3Very high46 Ų4670.6 Ų70.647%0.47437%0.366SS..SBendtrans178-169.4-176.700000112Y199 E200Y199-G202 CarbonylContact C-O 3.5Å; Y199-G202 VanDerWaalsContact C-O 3.31Å; Y199-G202 WeakPolarHBondContact CA-O 3.24Å; E200-G202 PolarHBondContact O-N 2.83Å
203N95.8Very high97.2Very high110 Ų11077.1 Ų77.159%0.58840%0.396SS*.  trans-142.4112.4171.6175.8-3.6000108.3H197H197-N203 PolarHBondContact CD2-OD1 2.91Å; H197-N203 PolarHBondContact NE2-OD1 2.92Å
204V96.8Very high97.1Very high98 Ų9878 Ų7859%0.59440%0.402SS*.EExtended strand (participates in β ladder)trans-126.1125.2178.1-177.30000108.6Y198Y198-V204 PolarHBondContact N-O 2.81Å; Y198-V204 PolarHBondContact O-N 2.86Å
205Q96.6Very high97Very high86 Ų8680.4 Ų80.440%0.40242%0.421SS..EExtended strand (participates in β ladder)trans-122.4135.8176.6-67.1-173.321.100111.6V196 H197V196-Q205 CarbonylContact O-C 3.51Å; V196-Q205 VanDerWaalsContact O-CA 3.26Å; V196-Q205 WeakPolarHBondContact O-CA 3.31Å; H197-Q205 HydrophobicContact CB-CG 4.16Å; H197-Q205 WeakPolarHBondContact CD2-CG 3.35Å
206L96.7Very high96.9Very high39 Ų3979.5 Ų79.520%0.20442%0.417CS..EExtended strand (participates in β ladder)trans-100.4125.4161.7170.963.6000107.8I194 Q195 V196 Y247I194-L206 HydrophobicContact CG2-CD2 4.12Å; Q195-L206 CarbonylContact C-O 3.5Å; Q195-L206 VanDerWaalsContact CA-O 3.26Å; Q195-L206 WeakPolarHBondContact CA-O 3.3Å; V196-L206 HydrophobicContact CB-CB 4.13Å; V196-L206 HydrophobicContact CG2-CD2 4.25Å; V196-L206 PolarHBondContact N-O 3.04Å; V196-L206 PolarHBondContact O-N 2.88Å; L206-Y247 HydrophobicContact CD1-CE2 4.46Å; L206-Y247 VanDerWaalsContact CD1-OH 3.31Å; L206-Y247 WeakPolarHBondContact CD1-OH 3.29Å; L206-Y247 HydrophobicContact CD2-CE2 4.09Å; L206-Y247 WeakPolarHBondContact CD2-OH 3.36Å
207V97.4Very high96.7Very high103 Ų10380 Ų8062%0.62442%0.423SS*.EExtended strand (participates in β ladder)trans-125.8118.3166.6-177.80000107Q195Q195-V207 HydrophobicContact CG-CG2 4.37Å
208S97.6Very high96.5Very high29 Ų2980.1 Ų80.120%0.20342%0.424CS..EExtended strand (participates in β ladder)trans-138.4141.4-177.9-173.50000110.3K193 I194 Y239K193-S208 CarbonylContact C-O 3.58Å; K193-S208 WeakPolarHBondContact CA-O 3.46Å; I194-S208 PolarHBondContact N-O 3.41Å; I194-S208 PolarHBondContact O-N 2.95Å; S208-Y239 VanDerWaalsContact CB-OH 3.26Å; S208-Y239 WeakPolarHBondContact CB-OH 3.37Å; S208-Y239 PolarHBondContact O-OH 2.96Å; S208-Y239 PolarHBondContact OG-OH 2.77Å
209H97.6Very high96.2Very high127 Ų12779 Ų7959%0.58843%0.431SS*.EExtended strand (participates in β ladder)trans-140.7152.8171.265.6-80.6000110.9M192 K193 Y239M192-H209 CarbonylContact O-C 3.55Å; M192-H209 WeakPolarHBondContact O-CA 3.45Å; K193-H209 HydrophobicContact CG-CB 4.01Å; H209-Y239 WeakPolarHBondContact CA-OH 3.4Å; H209-Y239 PolarHBondContact N-OH 3.07Å
210K97.9Very high96.1Very high69 Ų6980.1 Ų80.130%0.344%0.441SS..EExtended strand (participates in β ladder)trans-141128.8173.7-179.3-179.4176.6-170.60109I191 M192 V212 Y239I191-K210 WeakPolarHBondContact CA-O 3.39Å; M192-K210 HydrophobicContact CE-CB 3.99Å; M192-K210 HydrophobicContact CE-CD 4.05Å; M192-K210 HydrophobicContact CE-CG 3.99Å; M192-K210 WeakPolarHBondContact CE-O 3.49Å; M192-K210 PolarHBondContact N-O 2.91Å; M192-K210 PolarHBondContact O-N 2.91Å; K210-V212 HydrophobicContact CD-CG2 4.41Å; K210-V212 HydrophobicContact CG-CG2 4.24Å; K210-Y239 HydrophobicContact CB-CD1 4.47Å; K210-Y239 HydrophobicContact CB-CD2 3.75Å; K210-Y239 HydrophobicContact CB-CE1 4.38Å; K210-Y239 HydrophobicContact CB-CE2 3.61Å; K210-Y239 HydrophobicContact CB-CG 4.18Å; K210-Y239 HydrophobicContact CD-CD2 3.54Å; K210-Y239 HydrophobicContact CD-CE2 4.25Å; K210-Y239 HydrophobicContact CD-CG 3.86Å; K210-Y239 HydrophobicContact CG-CD2 4.28Å
211E98.1Very high96Very high143 Ų14379.9 Ų79.967%0.66844%0.44SS*.EExtended strand (participates in β ladder)trans-97.2143.4170.9-65.7-178.7-176.800109.5G190 I191G190-E211 CarbonylContact O-C 3.6Å; G190-E211 WeakPolarHBondContact O-CA 3.32Å; I191-E211 HydrophobicContact CB-CG 4.35Å; I191-E211 HydrophobicContact CD1-CG 3.99Å; I191-E211 HydrophobicContact CG1-CG 4.07Å
212V97.2Very high96.1Very high21 Ų2174.2 Ų74.213%0.12742%0.417CS..EExtended strand (participates in β ladder)trans-135.8139.7-177.81750000108.7W177 A189 G190 M192 K210 E214 A235W177-V212 HydrophobicContact CH2-CB 4.3Å; W177-V212 HydrophobicContact CH2-CG1 4.43Å; W177-V212 HydrophobicContact CZ3-CB 4.37Å; W177-V212 HydrophobicContact CZ3-CG1 4.34Å; A189-V212 CarbonylContact C-O 3.57Å; A189-V212 WeakPolarHBondContact CA-O 3.48Å; G190-V212 PolarHBondContact N-O 2.8Å; G190-V212 PolarHBondContact O-N 2.53Å; M192-V212 HydrophobicContact CE-CB 4.42Å; M192-V212 HydrophobicContact CE-CG2 3.45Å; M192-V212 VanDerWaalsContact CE-CG2 3.45Å; K210-V212 HydrophobicContact CD-CG2 4.41Å; K210-V212 HydrophobicContact CG-CG2 4.24Å; V212-E214 HydrophobicContact CG1-CG 3.81Å; V212-A235 HydrophobicContact CG1-CB 4.28Å; V212-A235 HydrophobicContact CG2-CB 4.39Å
213Q97.4Very high96.1Very high137 Ų13774.6 Ų74.664%0.6441%0.412SS*.EExtended strand (participates in β ladder)trans-136.1115.4172.9-171.2172.213.100109V188V188-Q213 WeakPolarHBondContact O-CA 3.32Å
214E96.1Very high96.1Very high102 Ų10269.3 Ų69.348%0.47738%0.384SS..EExtended strand (participates in β ladder)trans-129.9154.4-176.6-71-61.5156.600110.8Q187 V188 V212 I231Q187-E214 CarbonylContact C-O 3.53Å; Q187-E214 WeakPolarHBondContact CA-O 3.47Å; Q187-E214 PolarHBondContact OE1-O 3.46Å; V188-E214 PolarHBondContact N-O 3.29Å; V188-E214 PolarHBondContact O-N 2.76Å; V212-E214 HydrophobicContact CG1-CG 3.81Å; E214-I231 HydrophobicContact CB-CG2 3.9Å; E214-I231 HydrophobicContact CG-CG2 4.15Å
215S95.7Very high96.2Very high76 Ų7664.8 Ų64.853%0.53136%0.357SS..EExtended strand (participates in β ladder)trans-97.8140.4176.4-57.40000110.6T186 Q187T186-S215 WeakPolarHBondContact O-CA 3.24Å; Q187-S215 PolarHBondContact NE2-OG 2.95Å; Q187-S215 PolarHBondContact OE1-OG 2.93Å
216M95.6Very high96.2Very high3 Ų368 Ų682%0.01537%0.37CS..EExtended strand (participates in β ladder)trans-133.6153.6173.875.3175.1-62.400111.7F179 T185 T186 V188 T224 E227 F228 I231F179-M216 HydrophobicContact CG-SD 4.42Å; T185-M216 WeakPolarHBondContact CA-O 3.15Å; T186-M216 HydrophobicContact CG2-CG 3.41Å; T186-M216 VanDerWaalsContact CG2-CG 3.41Å; T186-M216 HydrophobicContact CG2-SD 3.92Å; T186-M216 PolarHBondContact N-O 2.81Å; T186-M216 PolarHBondContact O-N 2.92Å; V188-M216 HydrophobicContact CG2-CB 4.08Å; V188-M216 HydrophobicContact CG2-CG 3.65Å; V188-M216 HydrophobicContact CG2-SD 3.37Å; V188-M216 WeakPolarHBondContact CG2-SD 3.21Å; M216-T224 HydrophobicContact CE-CG2 3.36Å; M216-T224 WeakPolarHBondContact CE-O 3.46Å; M216-T224 HydrophobicContact SD-CG2 4.34Å; M216-E227 HydrophobicContact CB-CG 4.41Å; M216-E227 HydrophobicContact CE-CB 4.01Å; M216-E227 HydrophobicContact CE-CG 4.15Å; M216-F228 HydrophobicContact CE-CB 3.96Å; M216-F228 HydrophobicContact SD-CB 4.26Å; M216-F228 HydrophobicContact SD-CD2 4.37Å; M216-I231 HydrophobicContact CB-CD1 3.57Å
217S93.9Very high96.2Very high64 Ų6469.3 Ų69.345%0.44837%0.374SS..EExtended strand (participates in β ladder)trans-85.6134.3172.3-59.50000110.2S184 E227S184-S217 WeakPolarHBondContact O-CA 3.39Å; S217-E227 PolarHBondContact N-OE1 2.61Å
218V94Very high96.2Very high12 Ų1264.4 Ų64.47%0.07335%0.345CS..  trans-102.1125.3176.3-174.40000108.3W120 S182 S184 T186 T224W120-V218 HydrophobicContact CH2-CG1 3.54Å; W120-V218 HydrophobicContact CZ2-CG1 4.37Å; W120-V218 HydrophobicContact CZ3-CG1 3.94Å; S182-V218 VanDerWaalsContact O-CB 3.27Å; S182-V218 WeakPolarHBondContact O-CB 3.4Å; S182-V218 WeakPolarHBondContact O-CG1 3.48Å; S184-V218 PolarHBondContact O-N 3.28Å; T186-V218 HydrophobicContact CG2-CG2 3.45Å; T186-V218 VanDerWaalsContact CG2-CG2 3.45Å; V218-T224 HydrophobicContact CG1-CG2 4.29Å
219S93.1Very high96.3Very high75 Ų7563.9 Ų63.952%0.52434%0.34SS..  trans-129.6-105.5-179.857.70000110.7W120 S223 T224W120-S219 WeakPolarHBondContact CH2-O 3.44Å; S219-S223 WeakPolarHBondContact OG-CB 3.47Å; S219-T224 PolarHBondContact N-OG1 3.46Å; S219-T224 VanDerWaalsContact N-OG1 3.13Å
220N94.2Very high96.3Very high83 Ų8365 Ų6544%0.44434%0.344SS..SBendtrans-98165.1168.867.673.2000110.5A222 S223 T224N220-A222 VanDerWaalsContact C-N 3.34Å; N220-A222 PolarHBondContact O-N 3.47Å; N220-A222 PolarHBondContact OD1-N 3.19Å; N220-A222 VanDerWaalsContact OD1-N 3.13Å; N220-S223 PolarHBondContact ND2-OG 2.83Å; N220-S223 VanDerWaalsContact ND2-OG 3.1Å; N220-S223 PolarHBondContact O-N 3.02Å; N220-S223 PolarHBondContact OD1-N 3.37Å; N220-S223 PolarHBondContact OD1-OG 3.2Å; N220-T224 VanDerWaalsContact O-CB 3.29Å; N220-T224 WeakPolarHBondContact O-CB 3.25Å; N220-T224 PolarHBondContact O-N 3.31Å; N220-T224 PolarHBondContact O-OG1 3.29Å
221E95.2Very high96.3Very high80 Ų8063.2 Ų63.237%0.37434%0.337SS..Hα-helixtrans-53.8-47.1-176.3-59.8175.3167.800112.5G119 W120 A123 A225G119-E221 VanDerWaalsContact C-OE2 3.26Å; G119-E221 VanDerWaalsContact CA-OE1 3.3Å; G119-E221 WeakPolarHBondContact CA-OE1 3.33Å; G119-E221 WeakPolarHBondContact CA-OE2 3.11Å; W120-E221 HydrophobicContact CD2-CB 4.39Å; W120-E221 HydrophobicContact CD2-CG 3.69Å; W120-E221 HydrophobicContact CE3-CB 4.3Å; W120-E221 HydrophobicContact CE3-CG 4.08Å; W120-E221 HydrophobicContact CG-CG 3.96Å; W120-E221 HydrophobicContact CZ2-CG 4.21Å; W120-E221 HydrophobicContact CZ3-CG 4.48Å; W120-E221 PolarHBondContact N-OE1 2.84Å; A123-E221 HydrophobicContact CB-CB 3.88Å; E221-A225 VanDerWaalsContact O-CB 3.3Å; E221-A225 WeakPolarHBondContact O-CB 3.31Å; E221-A225 PolarHBondContact O-N 2.86Å
222A95.7Very high96.3Very high55 Ų5556.4 Ų56.446%0.45531%0.305SS..Hα-helixtrans-71.6-43.2-175.900000113.1N220 K226N220-A222 VanDerWaalsContact C-N 3.34Å; N220-A222 PolarHBondContact O-N 3.47Å; N220-A222 PolarHBondContact OD1-N 3.19Å; N220-A222 VanDerWaalsContact OD1-N 3.13Å; A222-K226 WeakPolarHBondContact O-CG 3.07Å; A222-K226 PolarHBondContact O-N 2.93Å
223S95.7Very high96.3Very high54 Ų5458.9 Ų58.938%0.37832%0.315SS..Hα-helixtrans-65.8-43.4177.6-70.10000111.3S219 N220 K226 E227S219-S223 WeakPolarHBondContact OG-CB 3.47Å; N220-S223 PolarHBondContact ND2-OG 2.83Å; N220-S223 VanDerWaalsContact ND2-OG 3.1Å; N220-S223 PolarHBondContact O-N 3.02Å; N220-S223 PolarHBondContact OD1-N 3.37Å; N220-S223 PolarHBondContact OD1-OG 3.2Å; S223-K226 PolarHBondContact O-N 3.44Å; S223-E227 PolarHBondContact O-N 3.06Å
224T96.5Very high96.4Very high0 Ų054.7 Ų54.70%030%0.304CS..Hα-helixtrans-65.8-42.4179.7-520000110.9W120 F179 M216 V218 S219 N220 K226 E227 F228W120-T224 HydrophobicContact CE3-CG2 4.45Å; W120-T224 HydrophobicContact CZ3-CG2 3.73Å; W120-T224 WeakPolarHBondContact CZ3-OG1 3.42Å; F179-T224 HydrophobicContact CE2-CG2 4.38Å; M216-T224 HydrophobicContact CE-CG2 3.36Å; M216-T224 WeakPolarHBondContact CE-O 3.46Å; M216-T224 HydrophobicContact SD-CG2 4.34Å; V218-T224 HydrophobicContact CG1-CG2 4.29Å; S219-T224 PolarHBondContact N-OG1 3.46Å; S219-T224 VanDerWaalsContact N-OG1 3.13Å; N220-T224 VanDerWaalsContact O-CB 3.29Å; N220-T224 WeakPolarHBondContact O-CB 3.25Å; N220-T224 PolarHBondContact O-N 3.31Å; N220-T224 PolarHBondContact O-OG1 3.29Å; T224-K226 VanDerWaalsContact C-N 3.3Å; T224-K226 PolarHBondContact O-N 3.08Å; T224-E227 PolarHBondContact O-N 2.91Å; T224-F228 VanDerWaalsContact O-CB 3.27Å; T224-F228 WeakPolarHBondContact O-CB 3.29Å; T224-F228 PolarHBondContact O-N 2.81Å
225A97.7Very high96.5Very high2 Ų250.3 Ų50.32%0.01729%0.285CS..Hα-helixtrans-59-40.2175.600000112.5A123 V124 A127 E221 V229A123-A225 HydrophobicContact CB-CB 4.2Å; V124-A225 HydrophobicContact CG2-CB 4Å; A127-A225 HydrophobicContact CB-CB 4.13Å; E221-A225 VanDerWaalsContact O-CB 3.3Å; E221-A225 WeakPolarHBondContact O-CB 3.31Å; E221-A225 PolarHBondContact O-N 2.86Å; A225-V229 WeakPolarHBondContact O-CG2 3.37Å; A225-V229 PolarHBondContact O-N 3.46Å
226K96.9Very high96.6Very high155 Ų15546.9 Ų46.967%0.67426%0.261SS*.Hα-helixtrans-67.2-44.4176.4-71.9175.9-179-179.40112.6A222 S223 T224 F228 V229 K230A222-K226 WeakPolarHBondContact O-CG 3.07Å; A222-K226 PolarHBondContact O-N 2.93Å; S223-K226 PolarHBondContact O-N 3.44Å; T224-K226 VanDerWaalsContact C-N 3.3Å; T224-K226 PolarHBondContact O-N 3.08Å; K226-F228 VanDerWaalsContact C-N 3.34Å; K226-V229 PolarHBondContact O-N 3.15Å; K226-K230 PolarHBondContact O-N 2.86Å; K226-K230 VanDerWaalsContact O-N 3.08Å
227E96.9Very high96.7Very high65 Ų6549.3 Ų49.330%0.30427%0.274SS..Hα-helixtrans-63.6-42.6177.4-173.8173.616000111.1M216 S217 S223 T224 K230 I231M216-E227 HydrophobicContact CB-CG 4.41Å; M216-E227 HydrophobicContact CE-CB 4.01Å; M216-E227 HydrophobicContact CE-CG 4.15Å; S217-E227 PolarHBondContact N-OE1 2.61Å; S223-E227 PolarHBondContact O-N 3.06Å; T224-E227 PolarHBondContact O-N 2.91Å; E227-K230 WeakPolarHBondContact O-CB 3.45Å; E227-K230 PolarHBondContact O-N 2.8Å; E227-I231 HydrophobicContact CG-CD1 4.44Å; E227-I231 WeakPolarHBondContact O-CG1 3.49Å; E227-I231 PolarHBondContact O-N 3.4Å; E227-I231 VanDerWaalsContact O-N 3.08Å
228F98Very high96.9Very high0 Ų051.1 Ų51.10%028%0.279CS..Hα-helixtrans-59-49.1175.4174.3-99.8000112.4V124 V128 V156 W177 F179 V188 M216 T224 K226 K230 I231 M232V124-F228 HydrophobicContact CG1-CD1 4.23Å; V124-F228 HydrophobicContact CG1-CE1 4.19Å; V128-F228 HydrophobicContact CG2-CD1 4.49Å; V128-F228 HydrophobicContact CG2-CE1 4.15Å; V156-F228 HydrophobicContact CB-CE1 4.35Å; V156-F228 HydrophobicContact CB-CZ 4.24Å; V156-F228 HydrophobicContact CG2-CE1 3.71Å; V156-F228 HydrophobicContact CG2-CZ 3.8Å; W177-F228 HydrophobicContact CB-CE2 4.11Å; W177-F228 HydrophobicContact CB-CZ 3.61Å; W177-F228 HydrophobicContact CG-CZ 4.36Å; F179-F228 AromaticContact CD1-CD2 3.46Å; F179-F228 HydrophobicContact CD1-CD2 3.46Å; F179-F228 VanDerWaalsContact CD1-CD2 3.46Å; F179-F228 AromaticContact CD1-CE2 3.46Å; F179-F228 HydrophobicContact CD1-CE2 3.46Å; F179-F228 VanDerWaalsContact CD1-CE2 3.46Å; F179-F228 HydrophobicContact CD1-CG 4.17Å; F179-F228 HydrophobicContact CD1-CZ 4.17Å; F179-F228 HydrophobicContact CE1-CD1 4.36Å; F179-F228 AromaticContact CE1-CD2 3.73Å; F179-F228 HydrophobicContact CE1-CD2 3.73Å; F179-F228 AromaticContact CE1-CE2 3.92Å; F179-F228 HydrophobicContact CE1-CE2 3.92Å; F179-F228 AromaticContact CE1-CG 3.95Å; F179-F228 HydrophobicContact CE1-CG 3.95Å; F179-F228 HydrophobicContact CE1-CZ 4.31Å; F179-F228 HydrophobicContact CG-CD2 4.37Å; V188-F228 HydrophobicContact CG1-CD2 4.08Å; V188-F228 HydrophobicContact CG1-CE2 3.8Å; V188-F228 HydrophobicContact CG2-CD2 4.19Å; M216-F228 HydrophobicContact CE-CB 3.96Å; M216-F228 HydrophobicContact SD-CB 4.26Å; M216-F228 HydrophobicContact SD-CD2 4.37Å; T224-F228 VanDerWaalsContact O-CB 3.27Å; T224-F228 WeakPolarHBondContact O-CB 3.29Å; T224-F228 PolarHBondContact O-N 2.81Å; K226-F228 VanDerWaalsContact C-N 3.34Å; F228-K230 VanDerWaalsContact C-N 3.29Å; F228-K230 PolarHBondContact O-N 2.97Å; F228-I231 PolarHBondContact O-N 2.93Å; F228-M232 PolarHBondContact O-N 2.81Å
229V98.2Very high97.1Very high18 Ų1851 Ų5111%0.10928%0.277CS..Hα-helixtrans-61.1-38.4177.31690000111.5A127 V128 Y131 A225 K226 I231 M232 E233A127-V229 HydrophobicContact CB-CG2 3.79Å; V128-V229 HydrophobicContact CG2-CG2 3.98Å; Y131-V229 HydrophobicContact CD2-CG1 4.06Å; Y131-V229 HydrophobicContact CG-CG1 4.05Å; A225-V229 WeakPolarHBondContact O-CG2 3.37Å; A225-V229 PolarHBondContact O-N 3.46Å; K226-V229 PolarHBondContact O-N 3.15Å; V229-I231 VanDerWaalsContact C-N 3.34Å; V229-I231 PolarHBondContact O-N 2.86Å; V229-M232 HydrophobicContact CG1-CE 4.47Å; V229-M232 HydrophobicContact CG2-CE 4.26Å; V229-M232 PolarHBondContact O-N 3.1Å; V229-E233 VanDerWaalsContact O-CB 3.31Å; V229-E233 WeakPolarHBondContact O-CB 3.33Å; V229-E233 PolarHBondContact O-N 2.84Å
230K98Very high97.3Very high152 Ų15252.6 Ų52.666%0.66128%0.276SS*.Hα-helixtrans-62.9-39.7176.9-173.9-177.3177.8-173.80112.6K226 E227 F228 A234K226-K230 PolarHBondContact O-N 2.86Å; K226-K230 VanDerWaalsContact O-N 3.08Å; E227-K230 WeakPolarHBondContact O-CB 3.45Å; E227-K230 PolarHBondContact O-N 2.8Å; F228-K230 VanDerWaalsContact C-N 3.29Å; F228-K230 PolarHBondContact O-N 2.97Å; K230-A234 WeakPolarHBondContact O-CB 3.35Å; K230-A234 PolarHBondContact O-N 3.01Å
231I97.8Very high97.4Very high30 Ų3052 Ų5215%0.15428%0.275CS..Hα-helixtrans-65.3-47.1176.1-68.4167.8000110.1V188 E214 M216 E227 F228 V229 A234 A235V188-I231 HydrophobicContact CG1-CG2 4.45Å; V188-I231 HydrophobicContact CG2-CD1 4.31Å; E214-I231 HydrophobicContact CB-CG2 3.9Å; E214-I231 HydrophobicContact CG-CG2 4.15Å; M216-I231 HydrophobicContact CB-CD1 3.57Å; E227-I231 HydrophobicContact CG-CD1 4.44Å; E227-I231 WeakPolarHBondContact O-CG1 3.49Å; E227-I231 PolarHBondContact O-N 3.4Å; E227-I231 VanDerWaalsContact O-N 3.08Å; F228-I231 PolarHBondContact O-N 2.93Å; V229-I231 VanDerWaalsContact C-N 3.34Å; V229-I231 PolarHBondContact O-N 2.86Å; I231-A234 PolarHBondContact O-N 2.8Å; I231-A235 WeakPolarHBondContact O-CB 3.26Å; I231-A235 PolarHBondContact O-N 2.72Å
232M97.9Very high97.5Very high0 Ų050.3 Ų50.30%028%0.275CS..Hα-helixtrans-59-49.6177.4179.3174.865.100111.4V128 Y131 I158 W177 F228 V229 A234 A235 E236V128-M232 HydrophobicContact CG1-CE 4.45Å; V128-M232 HydrophobicContact CG2-CE 4.18Å; Y131-M232 HydrophobicContact CD1-CE 3.26Å; Y131-M232 HydrophobicContact CD1-SD 4.46Å; Y131-M232 HydrophobicContact CE1-CE 3.52Å; Y131-M232 HydrophobicContact CE1-CG 4.36Å; Y131-M232 HydrophobicContact CE1-SD 4.25Å; Y131-M232 HydrophobicContact CG-CE 3.87Å; I158-M232 HydrophobicContact CD1-CE 4.14Å; I158-M232 HydrophobicContact CD1-SD 3.56Å; I158-M232 VanDerWaalsContact CD1-SD 3.56Å; W177-M232 HydrophobicContact CD2-CB 4.46Å; W177-M232 HydrophobicContact CD2-CG 4.15Å; W177-M232 HydrophobicContact CG-CG 4.41Å; W177-M232 HydrophobicContact CG-SD 4.21Å; W177-M232 HydrophobicContact CZ2-CB 4.48Å; W177-M232 HydrophobicContact CZ2-CG 4.02Å; F228-M232 PolarHBondContact O-N 2.81Å; V229-M232 HydrophobicContact CG1-CE 4.47Å; V229-M232 HydrophobicContact CG2-CE 4.26Å; V229-M232 PolarHBondContact O-N 3.1Å; M232-A234 PolarHBondContact O-N 2.82Å; M232-A235 PolarHBondContact O-N 3Å; M232-E236 HydrophobicContact CG-CG 4.36Å; M232-E236 WeakPolarHBondContact O-CB 3.29Å; M232-E236 WeakPolarHBondContact O-CG 3.39Å; M232-E236 PolarHBondContact O-N 3.03Å
233E98.3Very high97.5Very high73 Ų7348.8 Ų48.834%0.34126%0.259SS..Hα-helixtrans-57.7-49.1178.2177.4-178.5174.800112Y131 H135 V229 A235 N237Y131-E233 HydrophobicContact CD2-CB 4.25Å; Y131-E233 HydrophobicContact CE2-CB 3.63Å; Y131-E233 HydrophobicContact CE2-CG 3.86Å; H135-E233 IonicContact NE2-OE1 2.73Å; V229-E233 VanDerWaalsContact O-CB 3.31Å; V229-E233 WeakPolarHBondContact O-CB 3.33Å; V229-E233 PolarHBondContact O-N 2.84Å; E233-A235 PolarHBondContact O-N 3.22Å; E233-N237 VanDerWaalsContact O-CB 3.24Å; E233-N237 WeakPolarHBondContact O-CB 3.26Å; E233-N237 PolarHBondContact O-N 2.84Å; E233-N237 PolarHBondContact O-ND2 3.41Å
234A98.3Very high97.5Very high49 Ų4950.4 Ų50.441%0.40526%0.263SS..Hα-helixtrans-60.7-46.1178.700000111.5K230 I231 M232 N237 D238K230-A234 WeakPolarHBondContact O-CB 3.35Å; K230-A234 PolarHBondContact O-N 3.01Å; I231-A234 PolarHBondContact O-N 2.8Å; M232-A234 PolarHBondContact O-N 2.82Å; A234-N237 PolarHBondContact O-N 3.35Å; A234-D238 WeakPolarHBondContact O-CB 3.41Å; A234-D238 PolarHBondContact O-N 3.42Å
235A98.1Very high97.4Very high10 Ų1055.9 Ų55.98%0.08329%0.289CS..Hα-helixtrans-67.9-39.3-178.200000113.4W177 V212 I231 M232 E233 Y239W177-A235 HydrophobicContact CH2-CB 3.56Å; W177-A235 HydrophobicContact CZ2-CB 4.29Å; W177-A235 HydrophobicContact CZ3-CB 4.45Å; V212-A235 HydrophobicContact CG1-CB 4.28Å; V212-A235 HydrophobicContact CG2-CB 4.39Å; I231-A235 WeakPolarHBondContact O-CB 3.26Å; I231-A235 PolarHBondContact O-N 2.72Å; M232-A235 PolarHBondContact O-N 3Å; E233-A235 PolarHBondContact O-N 3.22Å; A235-Y239 WeakPolarHBondContact O-CB 3.38Å; A235-Y239 PolarHBondContact O-N 3.06Å
236E98.2Very high97.2Very high4 Ų459.5 Ų59.52%0.01931%0.308CS..Hα-helixtrans-69.6-40.9176.5-68.3-169164.100111.1Y131 Y136 W173 S175 W177 M192 M232 Y239 Q240Y131-E236 PolarHBondContact OH-OE2 2.98Å; Y136-E236 VanDerWaalsContact OH-CD 3.24Å; Y136-E236 PolarHBondContact OH-OE2 2.95Å; W173-E236 HydrophobicContact CH2-CB 4.4Å; W173-E236 HydrophobicContact CH2-CG 4.42Å; W173-E236 HydrophobicContact CZ2-CB 4.26Å; W173-E236 HydrophobicContact CZ2-CG 3.87Å; S175-E236 WeakPolarHBondContact CB-OE1 3.49Å; S175-E236 PolarHBondContact OG-OE1 2.8Å; W177-E236 HydrophobicContact CZ2-CG 3.92Å; W177-E236 PolarHBondContact NE1-OE1 2.65Å; W177-E236 VanDerWaalsContact NE1-OE1 3.09Å; M192-E236 HydrophobicContact CG-CG 4.11Å; M192-E236 HydrophobicContact SD-CB 4.4Å; M192-E236 HydrophobicContact SD-CG 3.7Å; M232-E236 HydrophobicContact CG-CG 4.36Å; M232-E236 WeakPolarHBondContact O-CB 3.29Å; M232-E236 WeakPolarHBondContact O-CG 3.39Å; M232-E236 PolarHBondContact O-N 3.03Å; E236-Y239 PolarHBondContact O-N 3.18Å; E236-Q240 PolarHBondContact O-N 3.27Å
237N98.1Very high96.9Very high54 Ų5457.6 Ų57.629%0.28930%0.298SS..Hα-helixtrans-63.7-44.4174.6-76.4-25.7000112.3E233 A234 Y239 Q240 T241E233-N237 VanDerWaalsContact O-CB 3.24Å; E233-N237 WeakPolarHBondContact O-CB 3.26Å; E233-N237 PolarHBondContact O-N 2.84Å; E233-N237 PolarHBondContact O-ND2 3.41Å; A234-N237 PolarHBondContact O-N 3.35Å; N237-Y239 VanDerWaalsContact C-N 3.28Å; N237-Y239 PolarHBondContact O-N 3.02Å; N237-Q240 PolarHBondContact O-N 3.34Å; N237-T241 WeakPolarHBondContact O-CB 3.27Å; N237-T241 PolarHBondContact O-N 2.64Å; N237-T241 PolarHBondContact O-OG1 3.33Å
238D98Very high96.5Very high103 Ų10361 Ų6155%0.55131%0.314SS*.Hα-helixtrans-61.8-40.3175.6-76.9-8.4000110.9A234 A242A234-D238 WeakPolarHBondContact O-CB 3.41Å; A234-D238 PolarHBondContact O-N 3.42Å; D238-A242 WeakPolarHBondContact O-CB 3.46Å; D238-A242 PolarHBondContact O-N 3.24Å
239Y98.1Very high96.2Very high10 Ų1064.7 Ų64.74%0.03934%0.336CS..Hα-helixtrans-66.3-46.6177.7-177.5-140.8000112.1W173 M192 I194 S208 H209 K210 A235 E236 N237 T241 A242 I243W173-Y239 AromaticContact CH2-CD1 3.57Å; W173-Y239 HydrophobicContact CH2-CD1 3.57Å; W173-Y239 HydrophobicContact CH2-CE1 4.04Å; W173-Y239 AromaticContact CZ3-CD1 3.92Å; W173-Y239 HydrophobicContact CZ3-CD1 3.92Å; W173-Y239 HydrophobicContact CZ3-CE1 4.06Å; M192-Y239 HydrophobicContact CB-CD1 3.69Å; M192-Y239 HydrophobicContact CB-CE1 3.65Å; M192-Y239 HydrophobicContact CE-CD1 4.44Å; M192-Y239 HydrophobicContact CG-CD1 4.31Å; M192-Y239 HydrophobicContact SD-CD1 3.78Å; M192-Y239 HydrophobicContact SD-CG 4.22Å; I194-Y239 HydrophobicContact CD1-CE1 3.86Å; I194-Y239 HydrophobicContact CG1-CE1 3.99Å; S208-Y239 VanDerWaalsContact CB-OH 3.26Å; S208-Y239 WeakPolarHBondContact CB-OH 3.37Å; S208-Y239 PolarHBondContact O-OH 2.96Å; S208-Y239 PolarHBondContact OG-OH 2.77Å; H209-Y239 WeakPolarHBondContact CA-OH 3.4Å; H209-Y239 PolarHBondContact N-OH 3.07Å; K210-Y239 HydrophobicContact CB-CD1 4.47Å; K210-Y239 HydrophobicContact CB-CD2 3.75Å; K210-Y239 HydrophobicContact CB-CE1 4.38Å; K210-Y239 HydrophobicContact CB-CE2 3.61Å; K210-Y239 HydrophobicContact CB-CG 4.18Å; K210-Y239 HydrophobicContact CD-CD2 3.54Å; K210-Y239 HydrophobicContact CD-CE2 4.25Å; K210-Y239 HydrophobicContact CD-CG 3.86Å; K210-Y239 HydrophobicContact CG-CD2 4.28Å; A235-Y239 WeakPolarHBondContact O-CB 3.38Å; A235-Y239 PolarHBondContact O-N 3.06Å; E236-Y239 PolarHBondContact O-N 3.18Å; N237-Y239 VanDerWaalsContact C-N 3.28Å; N237-Y239 PolarHBondContact O-N 3.02Å; Y239-T241 VanDerWaalsContact C-N 3.35Å; Y239-T241 PolarHBondContact O-N 2.92Å; Y239-A242 PolarHBondContact O-N 2.63Å; Y239-I243 HydrophobicContact CD1-CD1 4.48Å; Y239-I243 HydrophobicContact CD2-CD1 4.04Å; Y239-I243 HydrophobicContact CD2-CG1 4.11Å; Y239-I243 HydrophobicContact CE1-CD1 4.04Å; Y239-I243 HydrophobicContact CE2-CD1 3.57Å; Y239-I243 HydrophobicContact CE2-CG1 3.85Å; Y239-I243 HydrophobicContact CG-CD1 4.48Å; Y239-I243 WeakPolarHBondContact O-CG1 3.18Å; Y239-I243 PolarHBondContact O-N 3.15Å
240Q97.4Very high95.6Very high108 Ų10867.2 Ų67.251%0.50535%0.348SS..Hα-helixtrans-61.9-43.3177.3-174.8-179.17.400111.8E236 N237 I243 N244E236-Q240 PolarHBondContact O-N 3.27Å; N237-Q240 PolarHBondContact O-N 3.34Å; Q240-I243 PolarHBondContact O-N 3.06Å; Q240-N244 PolarHBondContact O-N 3.32Å; Q240-N244 VanDerWaalsContact O-N 3.14Å; Q240-N244 PolarHBondContact O-ND2 3.04Å
241T97.4Very high95Very high69 Ų6963.4 Ų63.442%0.42334%0.34SS..Hα-helixtrans-61.6-48177.1-57.40000110.7N237 Y239 I243 N244 E245N237-T241 WeakPolarHBondContact O-CB 3.27Å; N237-T241 PolarHBondContact O-N 2.64Å; N237-T241 PolarHBondContact O-OG1 3.33Å; Y239-T241 VanDerWaalsContact C-N 3.35Å; Y239-T241 PolarHBondContact O-N 2.92Å; T241-I243 VanDerWaalsContact C-N 3.32Å; T241-I243 PolarHBondContact O-N 3.42Å; T241-N244 PolarHBondContact O-N 3.38Å; T241-N244 VanDerWaalsContact O-N 3.14Å; T241-E245 WeakPolarHBondContact O-CG 3.39Å; T241-E245 PolarHBondContact O-N 2.99Å
242A96.8Very high94.3Very high45 Ų4566.6 Ų66.637%0.37236%0.357SS..Hα-helixtrans-61.5-37.9178.700000112.7D238 Y239 N246D238-A242 WeakPolarHBondContact O-CB 3.46Å; D238-A242 PolarHBondContact O-N 3.24Å; Y239-A242 PolarHBondContact O-N 2.63Å; A242-N246 WeakPolarHBondContact O-CB 3.27Å; A242-N246 PolarHBondContact O-N 2.87Å
243I96.1Very high93.8Very high23 Ų2370.2 Ų70.212%0.11838%0.379CS..Hα-helixtrans-61.7-47.1174.4-73.3178.7000110.8I194 Y239 Q240 T241 E245 N246 Y247I194-I243 HydrophobicContact CD1-CD1 3.3Å; I194-I243 HydrophobicContact CG1-CD1 4.46Å; Y239-I243 HydrophobicContact CD1-CD1 4.48Å; Y239-I243 HydrophobicContact CD2-CD1 4.04Å; Y239-I243 HydrophobicContact CD2-CG1 4.11Å; Y239-I243 HydrophobicContact CE1-CD1 4.04Å; Y239-I243 HydrophobicContact CE2-CD1 3.57Å; Y239-I243 HydrophobicContact CE2-CG1 3.85Å; Y239-I243 HydrophobicContact CG-CD1 4.48Å; Y239-I243 WeakPolarHBondContact O-CG1 3.18Å; Y239-I243 PolarHBondContact O-N 3.15Å; Q240-I243 PolarHBondContact O-N 3.06Å; T241-I243 VanDerWaalsContact C-N 3.32Å; T241-I243 PolarHBondContact O-N 3.42Å; I243-E245 PolarHBondContact O-N 3.38Å; I243-N246 PolarHBondContact O-N 3.37Å; I243-Y247 HydrophobicContact CG2-CD2 3.7Å; I243-Y247 HydrophobicContact CG2-CE2 3.73Å; I243-Y247 VanDerWaalsContact O-CD2 3.3Å; I243-Y247 WeakPolarHBondContact O-CD2 3.48Å; I243-Y247 PolarHBondContact O-N 3.26Å
244N93.9Very high93.2Very high88 Ų8870.3 Ų70.347%0.47139%0.385SS..Hα-helixtrans-62.2-44.7-179.2-71.6-27.9000111.9Q240 T241 Y247 Q248Q240-N244 PolarHBondContact O-N 3.32Å; Q240-N244 VanDerWaalsContact O-N 3.14Å; Q240-N244 PolarHBondContact O-ND2 3.04Å; T241-N244 PolarHBondContact O-N 3.38Å; T241-N244 VanDerWaalsContact O-N 3.14Å; N244-Y247 PolarHBondContact O-N 3.33Å; N244-Q248 PolarHBondContact O-N 3.45Å
245E95.1Very high92.4Very high116 Ų11674.5 Ų74.554%0.54240%0.395SS..Hα-helixtrans-65.3-39.7176.6-69178.4172.400112.2T241 I243 Y247 Q248 T249T241-E245 WeakPolarHBondContact O-CG 3.39Å; T241-E245 PolarHBondContact O-N 2.99Å; I243-E245 PolarHBondContact O-N 3.38Å; E245-Y247 VanDerWaalsContact C-N 3.34Å; E245-Y247 PolarHBondContact O-N 2.84Å; E245-Q248 PolarHBondContact O-N 2.83Å; E245-T249 PolarHBondContact O-N 3.34Å; E245-T249 PolarHBondContact O-OG1 2.89Å
246N93.8Very high91.9Very high78 Ų7878.8 Ų78.842%0.41741%0.411SS..Hα-helixtrans-64.8-39.1177.6-173.344.9000111.4A242 I243 Q248 T249 M250A242-N246 WeakPolarHBondContact O-CB 3.27Å; A242-N246 PolarHBondContact O-N 2.87Å; I243-N246 PolarHBondContact O-N 3.37Å; N246-Q248 PolarHBondContact O-N 3.5Å; N246-T249 PolarHBondContact O-N 3.43Å; N246-M250 WeakPolarHBondContact ND2-CE 3.17Å; N246-M250 WeakPolarHBondContact O-CB 3.31Å; N246-M250 VanDerWaalsContact O-CG 3.31Å; N246-M250 WeakPolarHBondContact O-CG 3.45Å; N246-M250 PolarHBondContact O-N 2.83Å
247Y89.9Confident91.4Very high115 Ų11582.8 Ų82.845%0.45145%0.445SS..Hα-helixtrans-61.4-41.9174.3-94-68.6000113L206 I243 N244 E245 S251L206-Y247 HydrophobicContact CD1-CE2 4.46Å; L206-Y247 VanDerWaalsContact CD1-OH 3.31Å; L206-Y247 WeakPolarHBondContact CD1-OH 3.29Å; L206-Y247 HydrophobicContact CD2-CE2 4.09Å; L206-Y247 WeakPolarHBondContact CD2-OH 3.36Å; I243-Y247 HydrophobicContact CG2-CD2 3.7Å; I243-Y247 HydrophobicContact CG2-CE2 3.73Å; I243-Y247 VanDerWaalsContact O-CD2 3.3Å; I243-Y247 WeakPolarHBondContact O-CD2 3.48Å; I243-Y247 PolarHBondContact O-N 3.26Å; N244-Y247 PolarHBondContact O-N 3.33Å; E245-Y247 VanDerWaalsContact C-N 3.34Å; E245-Y247 PolarHBondContact O-N 2.84Å; Y247-S251 WeakPolarHBondContact O-CB 2.97Å; Y247-S251 PolarHBondContact O-N 3.2Å; Y247-S251 VanDerWaalsContact O-N 3.15Å
248Q89.3Confident91.1Very high137 Ų13787 Ų8764%0.6447%0.467SS*.Hα-helixtrans-62.5-46174.4-66.9178.113.900110.7N244 E245 N246 S251 D252N244-Q248 PolarHBondContact O-N 3.45Å; E245-Q248 PolarHBondContact O-N 2.83Å; N246-Q248 PolarHBondContact O-N 3.5Å; Q248-S251 PolarHBondContact O-N 2.8Å; Q248-D252 PolarHBondContact O-N 2.93Å
249T91.2Very high90.8Very high76 Ų7692 Ų9247%0.46648%0.478SS..Hα-helixtrans-62.6-45.9179.9-57.60000112.1E245 N246 S251 D252 T253E245-T249 PolarHBondContact O-N 3.34Å; E245-T249 PolarHBondContact O-OG1 2.89Å; N246-T249 PolarHBondContact O-N 3.43Å; T249-S251 PolarHBondContact O-N 3.08Å; T249-D252 PolarHBondContact O-N 3.02Å; T249-T253 WeakPolarHBondContact O-CB 3.47Å; T249-T253 PolarHBondContact O-N 3.35Å; T249-T253 PolarHBondContact O-OG1 3.22Å
250M86.8Confident90.3Very high72 Ų7297.9 Ų97.936%0.35550%0.5SS..Iπ-helixtrans-61-42.6178.7-76.7-179.4172.200112.2N246 D252 T254 F255N246-M250 WeakPolarHBondContact ND2-CE 3.17Å; N246-M250 WeakPolarHBondContact O-CB 3.31Å; N246-M250 VanDerWaalsContact O-CG 3.31Å; N246-M250 WeakPolarHBondContact O-CG 3.45Å; N246-M250 PolarHBondContact O-N 2.83Å; M250-D252 VanDerWaalsContact C-N 3.34Å; M250-D252 PolarHBondContact O-N 3.38Å; M250-T254 PolarHBondContact O-N 3.04Å; M250-T254 VanDerWaalsContact O-N 3.15Å; M250-F255 HydrophobicContact CB-CD2 4.48Å; M250-F255 HydrophobicContact CB-CE2 4.48Å; M250-F255 WeakPolarHBondContact O-CD2 3.45Å; M250-F255 PolarHBondContact O-N 3.47Å
251S84.8Confident89.8Confident71 Ų71101.2 Ų101.250%0.49752%0.515SS..Iπ-helixtrans-59.7-43.8176.9-175.20000111.9Y247 Q248 T249Y247-S251 WeakPolarHBondContact O-CB 2.97Å; Y247-S251 PolarHBondContact O-N 3.2Å; Y247-S251 VanDerWaalsContact O-N 3.15Å; Q248-S251 PolarHBondContact O-N 2.8Å; T249-S251 PolarHBondContact O-N 3.08Å
252D83.8Confident89.5Confident98 Ų98101.2 Ų101.252%0.52451%0.513SS..Iπ-helixtrans-84-26.3-174.4-85.1-32.6000115.2Q248 T249 M250 K256Q248-D252 PolarHBondContact O-N 2.93Å; T249-D252 PolarHBondContact O-N 3.02Å; M250-D252 VanDerWaalsContact C-N 3.34Å; M250-D252 PolarHBondContact O-N 3.38Å; D252-K256 WeakPolarHBondContact O-CD 3.13Å; D252-K256 PolarHBondContact O-NZ 3.04Å; D252-K256 IonicContact OD1-NZ 3.1Å; D252-K256 PolarHBondContact OD1-NZ 2.86Å
253T87.3Confident89.3Confident75 Ų75101.3 Ų101.346%0.4651%0.509SS..Iπ-helixtrans-113.8-65.6-172.961.90000111.8T249 K256 A257T249-T253 WeakPolarHBondContact O-CB 3.47Å; T249-T253 PolarHBondContact O-N 3.35Å; T249-T253 PolarHBondContact O-OG1 3.22Å; T253-K256 PolarHBondContact O-N 2.7Å; T253-A257 WeakPolarHBondContact O-CB 3.47Å; T253-A257 PolarHBondContact O-N 3.29Å
254T85.3Confident89Confident75 Ų75105.7 Ų105.746%0.4654%0.537SS..Iπ-helixtrans-66.7-49.4-167.7-57.10000111.5M250 K256 A257 L258M250-T254 PolarHBondContact O-N 3.04Å; M250-T254 VanDerWaalsContact O-N 3.15Å; T254-K256 PolarHBondContact O-N 3Å; T254-A257 PolarHBondContact O-N 3.45Å; T254-L258 PolarHBondContact O-N 3.02Å
255F82.1Confident89Confident138 Ų138106.2 Ų106.261%0.60554%0.543SS*.Hα-helixtrans-65.1-38.6178.4-80-71.5000112.4M250 A257 L258 R259M250-F255 HydrophobicContact CB-CD2 4.48Å; M250-F255 HydrophobicContact CB-CE2 4.48Å; M250-F255 WeakPolarHBondContact O-CD2 3.45Å; M250-F255 PolarHBondContact O-N 3.47Å; F255-A257 VanDerWaalsContact C-N 3.3Å; F255-A257 PolarHBondContact O-N 3.28Å; F255-L258 PolarHBondContact O-N 3.13Å; F255-R259 PolarHBondContact O-N 3.25Å; F255-R259 VanDerWaalsContact O-N 3.14Å
256K85.8Confident88.9Confident99 Ų99110.6 Ų110.643%0.4356%0.555SS.*Hα-helixtrans-67.6-30.7177-64.4-168.6-162.8149.10112.7D252 T253 T254 R259 R260D252-K256 WeakPolarHBondContact O-CD 3.13Å; D252-K256 PolarHBondContact O-NZ 3.04Å; D252-K256 IonicContact OD1-NZ 3.1Å; D252-K256 PolarHBondContact OD1-NZ 2.86Å; T253-K256 PolarHBondContact O-N 2.7Å; T254-K256 PolarHBondContact O-N 3Å; K256-R259 CarbonylContact O-C 3.59Å; K256-R260 PolarHBondContact O-N 3.21Å
257A88.1Confident88.9Confident88 Ų88110.8 Ų110.873%0.72756%0.559SS**Hα-helixtrans-70.6-35.9175.700000112.2T253 T254 F255T253-A257 WeakPolarHBondContact O-CB 3.47Å; T253-A257 PolarHBondContact O-N 3.29Å; T254-A257 PolarHBondContact O-N 3.45Å; F255-A257 VanDerWaalsContact C-N 3.3Å; F255-A257 PolarHBondContact O-N 3.28Å
258L91.9Very high89.1Confident143 Ų143114 Ų11475%0.74958%0.576SS**Hα-helixtrans-68.7-51.9175.7-70.4174.1000112.1T254 F255T254-L258 PolarHBondContact O-N 3.02Å; F255-L258 PolarHBondContact O-N 3.13Å
259R91.3Very high89.2Confident207 Ų207111.5 Ų111.578%0.78157%0.566SS**SBendtrans-143.7114.7176.7-173.1175.8-176.7-94.43.9109.8F255 K256 Q261F255-R259 PolarHBondContact O-N 3.25Å; F255-R259 VanDerWaalsContact O-N 3.14Å; K256-R259 CarbonylContact O-C 3.59Å; R259-Q261 PolarHBondContact O-N 3.08Å
260R88.3Confident89.2Confident135 Ų135111.2 Ų111.251%0.50956%0.561SS.*  trans-63.1139.6174.7-57.3171.357.588.92.1110K256 L262K256-R260 PolarHBondContact O-N 3.21Å; R260-L262 WeakPolarHBondContact CB-O 3.24Å; R260-L262 PolarHBondContact NE-O 2.64Å; R260-L262 VanDerWaalsContact NE-O 3.08Å; R260-L262 PolarHBondContact O-N 3.44Å
261Q87.4Confident89.4Confident177 Ų177116.2 Ų116.283%0.82758%0.576SS**SBendtrans-59.8-34.9173.8-170.1179.49.400112.1R259R259-Q261 PolarHBondContact O-N 3.08Å
262L90.8Very high89.5Confident70 Ų70118.7 Ų118.737%0.36658%0.584SS.*SBendtrans-135.2154.2171.7-73.8171000110.7R260R260-L262 WeakPolarHBondContact CB-O 3.24Å; R260-L262 PolarHBondContact NE-O 2.64Å; R260-L262 VanDerWaalsContact NE-O 3.08Å; R260-L262 PolarHBondContact O-N 3.44Å
263P91.9Very high89.5Confident46 Ų46120.2 Ų120.230%0.29959%0.586SS.*  trans-49.4164.3166-25.934.4000112.7T265 R266 T267 I269P263-T265 PolarHBondContact O-N 2.88Å; P263-T265 VanDerWaalsContact O-N 3.1Å; P263-R266 PolarHBondContact O-N 2.62Å; P263-T267 VanDerWaalsContact CD-O 3.29Å; P263-T267 WeakPolarHBondContact CD-O 3.34Å; P263-T267 WeakPolarHBondContact CG-O 3.25Å; P263-I269 HydrophobicContact CG-CG1 3.92Å
264V91.1Very high89.5Confident115 Ų115121.5 Ų121.570%0.69759%0.589SS**THydrogen-bonded Turntrans-54.2-33.2178.31790000111.8R266V264-R266 PolarHBondContact O-N 2.8Å; V264-R266 VanDerWaalsContact O-N 3.16Å
265T93Very high89.3Confident99 Ų99125.1 Ų125.161%0.60761%0.605SS**THydrogen-bonded Turntrans-66.8-10177.2620000114.7P263 T267P263-T265 PolarHBondContact O-N 2.88Å; P263-T265 VanDerWaalsContact O-N 3.1Å; T265-T267 PolarHBondContact O-N 2.69Å; T265-T267 PolarHBondContact OG1-OG1 2.73Å
266R92.9Very high89.1Confident208 Ų208123 Ų12379%0.78561%0.607SS**SBendtrans57.126.2-174.3-55.6-178.6177.3-178.7-2113.7P263 V264P263-R266 PolarHBondContact O-N 2.62Å; V264-R266 PolarHBondContact O-N 2.8Å; V264-R266 VanDerWaalsContact O-N 3.16Å
267T93.1Very high88.3Confident83 Ų83124 Ų12451%0.50961%0.609SS.*SBendtrans-125.5152.8174.855.90000110.1P263 T265P263-T267 VanDerWaalsContact CD-O 3.29Å; P263-T267 WeakPolarHBondContact CD-O 3.34Å; P263-T267 WeakPolarHBondContact CG-O 3.25Å; T265-T267 PolarHBondContact O-N 2.69Å; T265-T267 PolarHBondContact OG1-OG1 2.73Å
268K94.4Very high87.4Confident183 Ų183127.8 Ų127.880%0.79661%0.609SS**  trans-60.6149.5169.3-72.5-175.8178.2-1800109.3D270K268-D270 PolarHBondContact O-N 3.42Å
269I92.9Very high86.1Confident83 Ų83126.5 Ų126.543%0.42660%0.602SS.*  trans-58.6128.4177.8-68.8177.3000109.5P263 W271 I274P263-I269 HydrophobicContact CG-CG1 3.92Å; I269-W271 HydrophobicContact CG2-CD2 4.02Å; I269-W271 HydrophobicContact CG2-CE3 4.23Å; I269-W271 HydrophobicContact CG2-CG 4.4Å; I269-W271 PolarHBondContact O-N 2.94Å; I269-I274 HydrophobicContact CG2-CD1 3.28Å; I269-I274 HydrophobicContact CG2-CG1 4.09Å
270D91.1Very high84.8Confident71 Ų71119.3 Ų119.338%0.3859%0.592SS.*  trans-85.198.7168-176.1-14000108.7K268 N272 K273 I274K268-D270 PolarHBondContact O-N 3.42Å; D270-N272 PolarHBondContact O-N 3.38Å; D270-N272 WeakPolarHBondContact OD1-CB 3.37Å; D270-N272 PolarHBondContact OD1-N 2.96Å; D270-N272 VanDerWaalsContact OD1-N 3.08Å; D270-K273 HydrophobicContact CB-CB 4.16Å; D270-K273 HydrophobicContact CB-CD 4.13Å; D270-K273 HydrophobicContact CB-CG 4.24Å; D270-K273 PolarHBondContact O-N 2.81Å; D270-K273 PolarHBondContact OD1-N 2.84Å; D270-K273 WeakPolarHBondContact OD2-CD 3.4Å; D270-K273 WeakPolarHBondContact OD2-CE 3.34Å; D270-K273 WeakPolarHBondContact OD2-CG 3.3Å; D270-I274 PolarHBondContact O-N 2.92Å
271W90.2Very high83.4Confident177 Ų177120 Ų12067%0.6760%0.599SS**Hα-helixtrans-62.9-29.6-178.2-65.6106.1000112.8I269 I274 L275I269-W271 HydrophobicContact CG2-CD2 4.02Å; I269-W271 HydrophobicContact CG2-CE3 4.23Å; I269-W271 HydrophobicContact CG2-CG 4.4Å; I269-W271 PolarHBondContact O-N 2.94Å; W271-I274 HydrophobicContact CE3-CD1 4.32Å; W271-I274 HydrophobicContact CZ3-CD1 4.45Å; W271-I274 PolarHBondContact O-N 3.46Å; W271-L275 WeakPolarHBondContact O-CG 3.3Å; W271-L275 PolarHBondContact O-N 3.08Å; W271-L275 VanDerWaalsContact O-N 3.17Å
272N87.9Confident82.1Confident123 Ų123116.8 Ų116.866%0.65858%0.584SS**Hα-helixtrans-68.1-38.4177.7-67.1-33.8000111.2D270 L275 S276D270-N272 PolarHBondContact O-N 3.38Å; D270-N272 WeakPolarHBondContact OD1-CB 3.37Å; D270-N272 PolarHBondContact OD1-N 2.96Å; D270-N272 VanDerWaalsContact OD1-N 3.08Å; N272-L275 PolarHBondContact O-N 3.21Å; N272-S276 PolarHBondContact O-N 3.31Å; N272-S276 PolarHBondContact O-OG 3.4Å
273K83.7Confident80.5Confident130 Ų130120.4 Ų120.457%0.56560%0.6SS**Hα-helixtrans-65-44.2173-75.6-179-175.4-177.60111.4D270 L275 S276 Y277D270-K273 HydrophobicContact CB-CB 4.16Å; D270-K273 HydrophobicContact CB-CD 4.13Å; D270-K273 HydrophobicContact CB-CG 4.24Å; D270-K273 PolarHBondContact O-N 2.81Å; D270-K273 PolarHBondContact OD1-N 2.84Å; D270-K273 WeakPolarHBondContact OD2-CD 3.4Å; D270-K273 WeakPolarHBondContact OD2-CE 3.34Å; D270-K273 WeakPolarHBondContact OD2-CG 3.3Å; K273-L275 VanDerWaalsContact C-N 3.27Å; K273-L275 PolarHBondContact O-N 3.38Å; K273-S276 PolarHBondContact O-N 3.1Å; K273-Y277 WeakPolarHBondContact O-CB 3.4Å; K273-Y277 PolarHBondContact O-N 3.13Å
274I85.8Confident78.7Confident101 Ų101125.8 Ų125.852%0.51862%0.622SS.*Hα-helixtrans-57.4-41177.9-69.5-172.3000112.2I269 D270 W271 S276I269-I274 HydrophobicContact CG2-CD1 3.28Å; I269-I274 HydrophobicContact CG2-CG1 4.09Å; D270-I274 PolarHBondContact O-N 2.92Å; W271-I274 HydrophobicContact CE3-CD1 4.32Å; W271-I274 HydrophobicContact CZ3-CD1 4.45Å; W271-I274 PolarHBondContact O-N 3.46Å; I274-S276 VanDerWaalsContact C-N 3.34Å; I274-S276 PolarHBondContact O-N 3.25Å
275L80.9Confident77Confident151 Ų151127.3 Ų127.379%0.79163%0.626SS**Hα-helixtrans-72.2-24.9-177.7-70.1167.2000114W271 N272 K273W271-L275 WeakPolarHBondContact O-CG 3.3Å; W271-L275 PolarHBondContact O-N 3.08Å; W271-L275 VanDerWaalsContact O-N 3.17Å; N272-L275 PolarHBondContact O-N 3.21Å; K273-L275 VanDerWaalsContact C-N 3.27Å; K273-L275 PolarHBondContact O-N 3.38Å
276S79.7Confident75Confident95 Ų95129.4 Ų129.466%0.66465%0.653SS**Hα-helixtrans-111.5-17.2-171.8570000114.4N272 K273 I274N272-S276 PolarHBondContact O-N 3.31Å; N272-S276 PolarHBondContact O-OG 3.4Å; K273-S276 PolarHBondContact O-N 3.1Å; I274-S276 VanDerWaalsContact C-N 3.34Å; I274-S276 PolarHBondContact O-N 3.25Å
277Y67.1Low74.1Confident120 Ų120125.5 Ų125.547%0.47165%0.646SS.*  trans-90.8119-169-162.9-102.2000112.1K273 I279 E282K273-Y277 WeakPolarHBondContact O-CB 3.4Å; K273-Y277 PolarHBondContact O-N 3.13Å; Y277-I279 HydrophobicContact CD1-CG1 4.05Å; Y277-I279 HydrophobicContact CE1-CG1 4.34Å; Y277-E282 HydrophobicContact CE2-CG 4.49Å; Y277-E282 WeakPolarHBondContact CE2-OE1 3.35Å; Y277-E282 PolarHBondContact OH-OE2 3.32Å
278K69.9Low73.1Confident166 Ų166127.7 Ų127.772%0.72265%0.653SS**  trans-96.497.4174-75.9-174.1176.8-177.60110.2G280 K281K278-G280 PolarHBondContact O-N 3.24Å; K278-G280 VanDerWaalsContact O-N 3.17Å; K278-K281 HydrophobicContact CB-CB 4.44Å; K278-K281 PolarHBondContact O-N 3.3Å
279I65Low71.9Confident117 Ų117124.6 Ų124.660%0.665%0.645SS**Hα-helixtrans-52.3-40.6-176.7-61.1169.9000112.5Y277 K281 E282 M283Y277-I279 HydrophobicContact CD1-CG1 4.05Å; Y277-I279 HydrophobicContact CE1-CG1 4.34Å; I279-K281 PolarHBondContact O-N 3.36Å; I279-E282 PolarHBondContact O-N 3.44Å; I279-M283 HydrophobicContact CG2-SD 4.43Å; I279-M283 PolarHBondContact O-N 3.4Å
280G64Low70.6Confident55 Ų55127.1 Ų127.157%0.56766%0.658SS**Hα-helixtrans-66-19.3-178.700000115.4K278K278-G280 PolarHBondContact O-N 3.24Å; K278-G280 VanDerWaalsContact O-N 3.17Å
281K59.3Low69.4Low151 Ų151130.6 Ų130.666%0.65768%0.676SS**Hα-helixtrans-85.8-28.2-178.2-123.4-174.8-178.5-1710113.2K278 I279K278-K281 HydrophobicContact CB-CB 4.44Å; K278-K281 PolarHBondContact O-N 3.3Å; I279-K281 PolarHBondContact O-N 3.36Å
282E60.4Low68Low109 Ų109127.5 Ų127.551%0.50968%0.676SS.*Hα-helixtrans-86.9-27.6176.7-72.8-158.4-175.600112.8Y277 I279 Q284 N285 A286Y277-E282 HydrophobicContact CE2-CG 4.49Å; Y277-E282 WeakPolarHBondContact CE2-OE1 3.35Å; Y277-E282 PolarHBondContact OH-OE2 3.32Å; I279-E282 PolarHBondContact O-N 3.44Å; E282-Q284 PolarHBondContact O-N 3.1Å; E282-N285 PolarHBondContact O-N 2.89Å; E282-N285 VanDerWaalsContact O-N 3.09Å; E282-A286 PolarHBondContact O-N 2.98Å
283M56.2Low66.6Low146 Ų146127.8 Ų127.872%0.71968%0.678SS**THydrogen-bonded Turntrans-66.7-19.9171.4-73.4-171.17100113.9I279 N285I279-M283 HydrophobicContact CG2-SD 4.43Å; I279-M283 PolarHBondContact O-N 3.4Å; M283-N285 VanDerWaalsContact C-N 3.35Å
284Q54.3Low65.2Low159 Ų159127.6 Ų127.674%0.74369%0.686SS**THydrogen-bonded Turntrans-80.9-16.1172.8-78.5-176.7-23.200113.3E282E282-Q284 PolarHBondContact O-N 3.1Å
285N56.1Low63.5Low147 Ų147129.8 Ų129.879%0.78670%0.7SS**  trans-109.47.3-177.3-71.4-16.3000112.7E282 M283E282-N285 PolarHBondContact O-N 2.89Å; E282-N285 VanDerWaalsContact O-N 3.09Å; M283-N285 VanDerWaalsContact C-N 3.35Å
286A49.6Very low62Low142 Ų142127.9 Ų127.9100%1.17469%0.692SS**  trans-107.40172.700000109.6E282E282-A286 PolarHBondContact O-N 2.98Å

Retrieved 286 of 286 residues in 140.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).