CATL_SCHMA Loading...

Cathepsin L

May be crucial for metabolism of host hemoglobin.

AlphaFold DB , UniProt , Accession Q26534, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene CL1, Length 319 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
1M48.4Very low74Confident115 Ų11597.4 Ų97.457%0.56751%0.508SS*.  0148.10-80-171.4-8400108.7K49 L52 Y53M1-K49 HydrophobicContact CE-CD 3.92Å; M1-K49 HydrophobicContact CE-CG 4.45Å; M1-K49 HydrophobicContact SD-CD 4.41Å; M1-K49 HydrophobicContact SD-CG 4.31Å; M1-L52 HydrophobicContact SD-CD2 4.38Å; M1-Y53 WeakPolarHBondContact CE-OH 3.05Å; M1-Y53 HydrophobicContact SD-CE1 4.13Å; M1-Y53 PolarHBondContact SD-OH 2.91Å
2P47.3Very low75.7Confident67 Ų6793.2 Ų93.244%0.43549%0.486SS..  trans-62.5144-173.326.8-33.6000111N4 L5 L8P2-N4 PolarHBondContact O-N 2.89Å; P2-N4 VanDerWaalsContact O-N 3.15Å; P2-L5 HydrophobicContact CG-CD2 3.7Å; P2-L5 HydrophobicContact CG-CG 4.5Å; P2-L8 HydrophobicContact CG-CD1 3.81Å
3V57.2Low77.1Confident158 Ų15888.2 Ų88.296%0.95846%0.463SS*.SBendtrans-67.6-15.6-167.8-170.60000112.7
4N71.3Confident78.3Confident60 Ų6088.5 Ų88.532%0.32150%0.498SS..  trans-153.1109.4168.9-179.6-3.7000110.6P2 E6 Y7P2-N4 PolarHBondContact O-N 2.89Å; P2-N4 VanDerWaalsContact O-N 3.15Å; N4-E6 PolarHBondContact O-N 3.47Å; N4-E6 WeakPolarHBondContact OD1-CB 3.39Å; N4-E6 VanDerWaalsContact OD1-CG 3.3Å; N4-E6 WeakPolarHBondContact OD1-CG 3.45Å; N4-E6 PolarHBondContact OD1-N 3.24Å; N4-Y7 HydrophobicContact CB-CD2 3.66Å; N4-Y7 HydrophobicContact CB-CE2 3.84Å; N4-Y7 PolarHBondContact O-N 3.44Å
5L81.7Confident79.5Confident11 Ų1187 Ų876%0.05849%0.488CS..G310 helixtrans-67.3-16.9-180-73168.7000113.1P2 Y7 L8 F10 L48 K49 L52P2-L5 HydrophobicContact CG-CD2 3.7Å; P2-L5 HydrophobicContact CG-CG 4.5Å; L5-Y7 VanDerWaalsContact C-N 3.25Å; L5-Y7 PolarHBondContact O-N 3.43Å; L5-L8 HydrophobicContact CD2-CD1 4.2Å; L5-L8 WeakPolarHBondContact O-CB 3.45Å; L5-L8 PolarHBondContact O-N 2.77Å; L5-F10 HydrophobicContact CB-CB 4.34Å; L5-F10 HydrophobicContact CB-CD2 4.42Å; L5-F10 PolarHBondContact O-N 3.2Å; L5-L48 HydrophobicContact CB-CB 3.96Å; L5-L48 HydrophobicContact CB-CD1 4.31Å; L5-L48 VanDerWaalsContact CD1-C 3.44Å; L5-L48 HydrophobicContact CD1-CB 3.74Å; L5-L48 HydrophobicContact CG-CB 4.49Å; L5-K49 HydrophobicContact CD1-CB 4.39Å; L5-K49 HydrophobicContact CD1-CG 3.89Å; L5-L52 HydrophobicContact CD1-CB 4.47Å; L5-L52 HydrophobicContact CD2-CD1 4.22Å; L5-L52 HydrophobicContact CD2-CD2 3.91Å; L5-L52 HydrophobicContact CD2-CG 4.45Å
6E77.1Confident80.6Confident95 Ų9582.3 Ų82.344%0.44446%0.462SS..G310 helixtrans-65-31.3177-57.8179.6163.200112.3N4 L8 G9 F10 L48N4-E6 PolarHBondContact O-N 3.47Å; N4-E6 WeakPolarHBondContact OD1-CB 3.39Å; N4-E6 VanDerWaalsContact OD1-CG 3.3Å; N4-E6 WeakPolarHBondContact OD1-CG 3.45Å; N4-E6 PolarHBondContact OD1-N 3.24Å; E6-L8 PolarHBondContact O-N 3.11Å; E6-G9 PolarHBondContact O-N 3.04Å; E6-F10 VanDerWaalsContact CA-O 3.29Å; E6-F10 WeakPolarHBondContact CA-O 3.24Å; E6-L48 HydrophobicContact CG-CD1 3.64Å
7Y78.9Confident81.6Confident202 Ų20283.3 Ų83.379%0.79247%0.466SS*.G310 helixtrans-65.1-21172.7-70.8-69.2000113.2N4 L5 G9N4-Y7 HydrophobicContact CB-CD2 3.66Å; N4-Y7 HydrophobicContact CB-CE2 3.84Å; N4-Y7 PolarHBondContact O-N 3.44Å; L5-Y7 VanDerWaalsContact C-N 3.25Å; L5-Y7 PolarHBondContact O-N 3.43Å; Y7-G9 VanDerWaalsContact C-N 3.27Å
8L82Confident82.5Confident111 Ų11185.8 Ų85.858%0.58147%0.474SS*.G310 helixtrans-89.99.8173.8-61.8-179.5000112.5P2 L5 E6 F10P2-L8 HydrophobicContact CG-CD1 3.81Å; L5-L8 HydrophobicContact CD2-CD1 4.2Å; L5-L8 WeakPolarHBondContact O-CB 3.45Å; L5-L8 PolarHBondContact O-N 2.77Å; E6-L8 PolarHBondContact O-N 3.11Å; L8-F10 HydrophobicContact CB-CD2 4.03Å; L8-F10 HydrophobicContact CB-CE2 4.26Å
9G86.5Confident83.3Confident56 Ų5685.8 Ų85.858%0.57747%0.468SS*.THydrogen-bonded Turntrans87.10.9176.100000114.9E6 Y7E6-G9 PolarHBondContact O-N 3.04Å; Y7-G9 VanDerWaalsContact C-N 3.27Å
10F91Very high84.1Confident31 Ų3181.9 Ų81.914%0.13645%0.446CS..  trans-69.1138.7170.5-68.1-87.7000109.7L5 E6 L8 L48 Q51 L52 V55L5-F10 HydrophobicContact CB-CB 4.34Å; L5-F10 HydrophobicContact CB-CD2 4.42Å; L5-F10 PolarHBondContact O-N 3.2Å; E6-F10 VanDerWaalsContact CA-O 3.29Å; E6-F10 WeakPolarHBondContact CA-O 3.24Å; L8-F10 HydrophobicContact CB-CD2 4.03Å; L8-F10 HydrophobicContact CB-CE2 4.26Å; F10-L48 HydrophobicContact CB-CD2 4.07Å; F10-Q51 HydrophobicContact CD1-CB 3.65Å; F10-Q51 HydrophobicContact CE1-CB 3.96Å; F10-L52 HydrophobicContact CE1-CB 4.35Å; F10-L52 HydrophobicContact CE2-CD1 3.61Å; F10-L52 HydrophobicContact CZ-CB 4.15Å; F10-L52 HydrophobicContact CZ-CD1 3.61Å; F10-L52 HydrophobicContact CZ-CG 4.5Å; F10-V55 HydrophobicContact CE1-CG2 3.84Å; F10-V55 HydrophobicContact CZ-CB 4.48Å; F10-V55 HydrophobicContact CZ-CG2 4.13Å
11K92.7Very high84.7Confident165 Ų16581.4 Ų81.472%0.71745%0.446SS*.  trans-129.9141.5-179.4-66.9-174.4-179.5-1780110Q51K11-Q51 PolarHBondContact O-NE2 2.89Å; K11-Q51 PolarHBondContact O-OE1 2.82Å
12L94.3Very high87.1Confident47 Ų4781.6 Ų81.625%0.24645%0.445CS..  trans-60.7142.4170.2-67170.8000109.6V16 K44 I47 L48L12-V16 HydrophobicContact CD2-CG2 4.33Å; L12-K44 HydrophobicContact CD1-CB 4.01Å; L12-K44 HydrophobicContact CD1-CD 3.82Å; L12-K44 HydrophobicContact CD1-CG 4Å; L12-K44 HydrophobicContact CD2-CB 3.84Å; L12-K44 HydrophobicContact CD2-CG 4.23Å; L12-K44 VanDerWaalsContact CD2-O 3.31Å; L12-K44 WeakPolarHBondContact CD2-O 3.39Å; L12-I47 HydrophobicContact CD2-CB 4.47Å; L12-I47 HydrophobicContact CD2-CG2 4.33Å; L12-L48 HydrophobicContact CD2-CD1 4.34Å; L12-L48 HydrophobicContact CD2-CD2 3.85Å; L12-L48 HydrophobicContact CD2-CG 3.86Å; L12-L48 HydrophobicContact CG-CD2 4.13Å; L12-L48 HydrophobicContact CG-CG 4.43Å
13P93.9Very high89.5Confident29 Ų2978.6 Ų78.619%0.18843%0.426CS..  trans-57143.4170.8-21.732.5000110.7N15 V16 K19 I47P13-N15 WeakPolarHBondContact CB-OD1 3.28Å; P13-N15 PolarHBondContact O-N 3.36Å; P13-V16 WeakPolarHBondContact O-CB 3.39Å; P13-V16 PolarHBondContact O-N 3.17Å; P13-V16 VanDerWaalsContact O-N 3.09Å; P13-K19 HydrophobicContact CB-CD 4.43Å; P13-K19 HydrophobicContact CG-CD 4.27Å; P13-I47 HydrophobicContact CG-CG2 4.21Å
14G94.6Very high91.5Very high92 Ų9273.4 Ų73.495%0.94839%0.39SS*.THydrogen-bonded Turntrans-60.7-15.8177.800000114.4
15N96.1Very high92.8Very high66 Ų6676.1 Ų76.135%0.35340%0.404SS..THydrogen-bonded Turntrans-11133.2177.270.4-24.4000113.1P13 D17 E18 K19P13-N15 WeakPolarHBondContact CB-OD1 3.28Å; P13-N15 PolarHBondContact O-N 3.36Å; N15-D17 VanDerWaalsContact C-N 3.29Å; N15-D17 PolarHBondContact O-N 3.34Å; N15-E18 HydrophobicContact CB-CB 4.38Å; N15-E18 PolarHBondContact O-N 2.74Å; N15-K19 WeakPolarHBondContact O-CG 3.22Å; N15-K19 PolarHBondContact O-N 3.35Å; N15-K19 WeakPolarHBondContact OD1-CE 3.4Å
16V97.1Very high93.5Very high12 Ų1281.7 Ų81.77%0.07343%0.428CS..Hα-helixtrans-61.8-35.1-175.369.20000113.3L12 P13 K19 Y20 F40 K44 I47L12-V16 HydrophobicContact CD2-CG2 4.33Å; P13-V16 WeakPolarHBondContact O-CB 3.39Å; P13-V16 PolarHBondContact O-N 3.17Å; P13-V16 VanDerWaalsContact O-N 3.09Å; V16-K19 WeakPolarHBondContact O-CB 3.46Å; V16-K19 PolarHBondContact O-N 3.25Å; V16-Y20 PolarHBondContact O-N 3.02Å; V16-F40 HydrophobicContact CG1-CZ 4.38Å; V16-F40 HydrophobicContact CG2-CE2 4.34Å; V16-K44 HydrophobicContact CG2-CG 3.91Å; V16-I47 HydrophobicContact CG2-CD1 4.06Å
17D97.4Very high94.5Very high99 Ų9978.6 Ų78.653%0.52941%0.412SS..Hα-helixtrans-62.2-47.7175.7-57.8-101.5000111.4N15 K19 Y20 V21 F40N15-D17 VanDerWaalsContact C-N 3.29Å; N15-D17 PolarHBondContact O-N 3.34Å; D17-K19 VanDerWaalsContact C-N 3.32Å; D17-K19 PolarHBondContact O-N 3Å; D17-Y20 PolarHBondContact O-N 3.45Å; D17-Y20 VanDerWaalsContact O-N 3.14Å; D17-V21 WeakPolarHBondContact O-CG2 3.29Å; D17-V21 PolarHBondContact O-N 2.9Å; D17-F40 HydrophobicContact CB-CZ 4.45Å; D17-F40 WeakPolarHBondContact OD1-CZ 3.36Å
18E97.8Very high95.3Very high129 Ų12979.4 Ų79.460%0.60341%0.414SS*.Hα-helixtrans-60.5-42.6174.9-63.8177176.200111.2N15 Y20 V21 Q22N15-E18 HydrophobicContact CB-CB 4.38Å; N15-E18 PolarHBondContact O-N 2.74Å; E18-Y20 VanDerWaalsContact C-N 3.28Å; E18-Y20 PolarHBondContact O-N 3.41Å; E18-V21 PolarHBondContact O-N 2.9Å; E18-Q22 WeakPolarHBondContact O-CG 3.42Å; E18-Q22 PolarHBondContact O-N 3.4Å
19K98Very high96Very high85 Ų8576.6 Ų76.637%0.3740%0.397SS..Hα-helixtrans-60.4-38.4176-74.1-170.2174.6-1500112.1P13 N15 V16 D17 Q22 F23 F43 I47P13-K19 HydrophobicContact CB-CD 4.43Å; P13-K19 HydrophobicContact CG-CD 4.27Å; N15-K19 WeakPolarHBondContact O-CG 3.22Å; N15-K19 PolarHBondContact O-N 3.35Å; N15-K19 WeakPolarHBondContact OD1-CE 3.4Å; V16-K19 WeakPolarHBondContact O-CB 3.46Å; V16-K19 PolarHBondContact O-N 3.25Å; D17-K19 VanDerWaalsContact C-N 3.32Å; D17-K19 PolarHBondContact O-N 3Å; K19-Q22 PolarHBondContact O-N 2.82Å; K19-F23 VanDerWaalsContact O-CB 3.31Å; K19-F23 WeakPolarHBondContact O-CB 3.19Å; K19-F23 PolarHBondContact O-N 3.15Å; K19-F43 HydrophobicContact CB-CE1 4.33Å; K19-F43 HydrophobicContact CB-CZ 4.42Å; K19-I47 HydrophobicContact CD-CD1 4.39Å
20Y98.4Very high96.5Very high7 Ų782.3 Ų82.33%0.02741%0.409CS..Hα-helixtrans-69-41.2177.7-174-120000111.9V16 D17 E18 Q22 F23 K24 Y31 D36 R39 F40 F43V16-Y20 PolarHBondContact O-N 3.02Å; D17-Y20 PolarHBondContact O-N 3.45Å; D17-Y20 VanDerWaalsContact O-N 3.14Å; E18-Y20 VanDerWaalsContact C-N 3.28Å; E18-Y20 PolarHBondContact O-N 3.41Å; Y20-Q22 PolarHBondContact O-N 3.17Å; Y20-F23 AromaticContact CD2-CD1 3.84Å; Y20-F23 HydrophobicContact CD2-CD1 3.84Å; Y20-F23 AromaticContact CE2-CD1 3.82Å; Y20-F23 HydrophobicContact CE2-CD1 3.82Å; Y20-F23 HydrophobicContact CE2-CE1 4.08Å; Y20-F23 WeakPolarHBondContact O-CB 3.43Å; Y20-F23 PolarHBondContact O-N 3.12Å; Y20-K24 HydrophobicContact CD1-CD 4.45Å; Y20-K24 HydrophobicContact CE1-CD 3.83Å; Y20-K24 HydrophobicContact CE1-CG 4.34Å; Y20-K24 HydrophobicContact CE2-CG 4.31Å; Y20-K24 WeakPolarHBondContact O-CG 3.19Å; Y20-K24 PolarHBondContact O-N 2.91Å; Y20-Y31 WeakPolarHBondContact OH-CE2 3.02Å; Y20-D36 PolarHBondContact OH-O 3.3Å; Y20-D36 PolarHBondContact OH-OD1 3.39Å; Y20-R39 VanDerWaalsContact OH-CB 3.22Å; Y20-R39 WeakPolarHBondContact OH-CB 3.4Å; Y20-F40 HydrophobicContact CD1-CB 3.93Å; Y20-F40 AromaticContact CD1-CD2 3.5Å; Y20-F40 HydrophobicContact CD1-CD2 3.5Å; Y20-F40 HydrophobicContact CD1-CE2 4.16Å; Y20-F40 AromaticContact CD1-CG 3.79Å; Y20-F40 HydrophobicContact CD1-CG 3.79Å; Y20-F40 AromaticContact CD2-CD2 3.9Å; Y20-F40 HydrophobicContact CD2-CD2 3.9Å; Y20-F40 HydrophobicContact CE1-CB 3.61Å; Y20-F40 HydrophobicContact CE1-CD2 4.09Å; Y20-F40 HydrophobicContact CE1-CG 4.02Å; Y20-F40 HydrophobicContact CE2-CB 4.38Å; Y20-F40 HydrophobicContact CE2-CD2 4.44Å; Y20-F40 HydrophobicContact CG-CB 4.45Å; Y20-F40 AromaticContact CG-CD2 3.4Å; Y20-F40 HydrophobicContact CG-CD2 3.4Å; Y20-F40 VanDerWaalsContact CG-CD2 3.4Å; Y20-F40 AromaticContact CG-CE2 3.91Å; Y20-F40 HydrophobicContact CG-CE2 3.91Å; Y20-F40 HydrophobicContact CG-CG 4.16Å; Y20-F40 PolarHBondContact OH-N 2.89Å; Y20-F43 HydrophobicContact CD2-CB 3.81Å; Y20-F43 AromaticContact CD2-CD1 3.61Å; Y20-F43 HydrophobicContact CD2-CD1 3.61Å; Y20-F43 AromaticContact CD2-CD2 3.95Å; Y20-F43 HydrophobicContact CD2-CD2 3.95Å; Y20-F43 HydrophobicContact CD2-CE1 4.09Å; Y20-F43 HydrophobicContact CD2-CE2 4.4Å; Y20-F43 AromaticContact CD2-CG 3.52Å; Y20-F43 HydrophobicContact CD2-CG 3.52Å; Y20-F43 HydrophobicContact CD2-CZ 4.46Å; Y20-F43 HydrophobicContact CE2-CB 3.92Å; Y20-F43 HydrophobicContact CE2-CD2 4.41Å; Y20-F43 HydrophobicContact CE2-CG 4.07Å; Y20-F43 HydrophobicContact CG-CD1 4.2Å; Y20-F43 HydrophobicContact CG-CE1 4.5Å
21V98.1Very high96.7Very high73 Ų7383.1 Ų83.144%0.44241%0.411SS..Hα-helixtrans-59.1-47.1172.5173.60000111D17 E18 F23 K24 L25D17-V21 WeakPolarHBondContact O-CG2 3.29Å; D17-V21 PolarHBondContact O-N 2.9Å; E18-V21 PolarHBondContact O-N 2.9Å; V21-F23 PolarHBondContact O-N 3.02Å; V21-K24 PolarHBondContact O-N 2.61Å; V21-L25 HydrophobicContact CG1-CD1 4.11Å; V21-L25 WeakPolarHBondContact O-CG 3.31Å; V21-L25 PolarHBondContact O-N 3.32Å
22Q97.9Very high96.8Very high119 Ų11982.6 Ų82.656%0.55641%0.411SS*.Hα-helixtrans-64.6-38177.4-67.1-55.7-39.400112.7E18 K19 Y20 L25 K26E18-Q22 WeakPolarHBondContact O-CG 3.42Å; E18-Q22 PolarHBondContact O-N 3.4Å; K19-Q22 PolarHBondContact O-N 2.82Å; Y20-Q22 PolarHBondContact O-N 3.17Å; Q22-L25 PolarHBondContact O-N 2.6Å; Q22-K26 VanDerWaalsContact O-CB 3.25Å; Q22-K26 WeakPolarHBondContact O-CB 3.22Å; Q22-K26 PolarHBondContact O-N 3.33Å
23F98.3Very high96.6Very high4 Ų488.9 Ų88.92%0.01844%0.439CS..Hα-helixtrans-58-49.2173161.5-99.3000111.3K19 Y20 V21 L25 K26 Y27 K29 F43 V65 T66 D70K19-F23 VanDerWaalsContact O-CB 3.31Å; K19-F23 WeakPolarHBondContact O-CB 3.19Å; K19-F23 PolarHBondContact O-N 3.15Å; Y20-F23 AromaticContact CD2-CD1 3.84Å; Y20-F23 HydrophobicContact CD2-CD1 3.84Å; Y20-F23 AromaticContact CE2-CD1 3.82Å; Y20-F23 HydrophobicContact CE2-CD1 3.82Å; Y20-F23 HydrophobicContact CE2-CE1 4.08Å; Y20-F23 WeakPolarHBondContact O-CB 3.43Å; Y20-F23 PolarHBondContact O-N 3.12Å; V21-F23 PolarHBondContact O-N 3.02Å; F23-L25 PolarHBondContact O-N 2.91Å; F23-K26 PolarHBondContact O-N 3.26Å; F23-Y27 AromaticContact CD2-CD2 3.4Å; F23-Y27 HydrophobicContact CD2-CD2 3.4Å; F23-Y27 AromaticContact CD2-CE2 3.82Å; F23-Y27 HydrophobicContact CD2-CE2 3.82Å; F23-Y27 AromaticContact CE2-CD2 3.55Å; F23-Y27 HydrophobicContact CE2-CD2 3.55Å; F23-Y27 HydrophobicContact CE2-CE2 4.14Å; F23-Y27 HydrophobicContact CE2-CG 4.42Å; F23-Y27 HydrophobicContact CG-CD2 4.36Å; F23-Y27 WeakPolarHBondContact O-CD2 3.49Å; F23-Y27 PolarHBondContact O-N 3.02Å; F23-K29 HydrophobicContact CE1-CG 3.83Å; F23-K29 HydrophobicContact CZ-CD 4.36Å; F23-K29 HydrophobicContact CZ-CG 3.88Å; F23-F43 HydrophobicContact CB-CE2 3.71Å; F23-F43 HydrophobicContact CB-CZ 3.94Å; F23-F43 HydrophobicContact CD1-CD2 4.03Å; F23-F43 AromaticContact CD1-CE2 3.98Å; F23-F43 HydrophobicContact CD1-CE2 3.98Å; F23-F43 HydrophobicContact CD2-CD2 4.39Å; F23-F43 AromaticContact CD2-CE2 3.86Å; F23-F43 HydrophobicContact CD2-CE2 3.86Å; F23-F43 HydrophobicContact CE1-CD2 4.36Å; F23-F43 HydrophobicContact CG-CD2 4.06Å; F23-F43 AromaticContact CG-CE2 3.55Å; F23-F43 HydrophobicContact CG-CE2 3.55Å; F23-F43 HydrophobicContact CG-CZ 4.29Å; F23-V65 HydrophobicContact CB-CG1 4.16Å; F23-V65 HydrophobicContact CD2-CG1 3.59Å; F23-V65 HydrophobicContact CG-CG1 4.26Å; F23-T66 WeakPolarHBondContact CE2-O 3.43Å; F23-D70 HydrophobicContact CE1-CB 3.79Å; F23-D70 HydrophobicContact CZ-CB 3.77Å; F23-D70 WeakPolarHBondContact CZ-OD1 3.47Å
24K98.3Very high96.5Very high48 Ų4893 Ų9321%0.20946%0.464CS..Hα-helixtrans-61.5-43.7178.6-69.3-166.1-71.9-173.90111.9Y20 V21 R28 K29 Y31 D36Y20-K24 HydrophobicContact CD1-CD 4.45Å; Y20-K24 HydrophobicContact CE1-CD 3.83Å; Y20-K24 HydrophobicContact CE1-CG 4.34Å; Y20-K24 HydrophobicContact CE2-CG 4.31Å; Y20-K24 WeakPolarHBondContact O-CG 3.19Å; Y20-K24 PolarHBondContact O-N 2.91Å; V21-K24 PolarHBondContact O-N 2.61Å; K24-R28 CarbonylContact O-C 3.54Å; K24-R28 VanDerWaalsContact O-CA 3.27Å; K24-R28 WeakPolarHBondContact O-CA 3.24Å; K24-R28 PolarHBondContact O-N 3.25Å; K24-K29 HydrophobicContact CB-CB 4.23Å; K24-K29 HydrophobicContact CG-CB 4.11Å; K24-K29 PolarHBondContact O-N 2.96Å; K24-Y31 HydrophobicContact CD-CD2 4.1Å; K24-Y31 HydrophobicContact CD-CE2 3.93Å; K24-Y31 HydrophobicContact CG-CE2 4.2Å; K24-D36 WeakPolarHBondContact CD-OD1 3.5Å; K24-D36 IonicContact NZ-OD1 3.67Å; K24-D36 PolarHBondContact NZ-OD1 3.18Å; K24-D36 IonicContact NZ-OD2 3.76Å; K24-D36 PolarHBondContact NZ-OD2 3.13Å
25L97.8Very high96.6Very high117 Ų11791.6 Ų91.661%0.61343%0.433SS*.Hα-helixtrans-63.8-49.9177.6-70173.1000112V21 Q22 F23 Y27 R28V21-L25 HydrophobicContact CG1-CD1 4.11Å; V21-L25 WeakPolarHBondContact O-CG 3.31Å; V21-L25 PolarHBondContact O-N 3.32Å; Q22-L25 PolarHBondContact O-N 2.6Å; F23-L25 PolarHBondContact O-N 2.91Å; L25-Y27 PolarHBondContact O-N 2.91Å; L25-R28 PolarHBondContact O-N 2.99Å
26K97.7Very high96.7Very high128 Ų12890.5 Ų90.556%0.55743%0.426SS*.Hα-helixtrans-59.9-46.9-177.5-176.9179.2178.2-169.90111.8Q22 F23Q22-K26 VanDerWaalsContact O-CB 3.25Å; Q22-K26 WeakPolarHBondContact O-CB 3.22Å; Q22-K26 PolarHBondContact O-N 3.33Å; F23-K26 PolarHBondContact O-N 3.26Å
27Y97.1Very high96.6Very high31 Ų3196.3 Ų96.312%0.12245%0.453CS..THydrogen-bonded Turntrans-100.214.9-175.3-58-62.3000113.7F23 L25 K29 V65 P67 E291F23-Y27 AromaticContact CD2-CD2 3.4Å; F23-Y27 HydrophobicContact CD2-CD2 3.4Å; F23-Y27 AromaticContact CD2-CE2 3.82Å; F23-Y27 HydrophobicContact CD2-CE2 3.82Å; F23-Y27 AromaticContact CE2-CD2 3.55Å; F23-Y27 HydrophobicContact CE2-CD2 3.55Å; F23-Y27 HydrophobicContact CE2-CE2 4.14Å; F23-Y27 HydrophobicContact CE2-CG 4.42Å; F23-Y27 HydrophobicContact CG-CD2 4.36Å; F23-Y27 WeakPolarHBondContact O-CD2 3.49Å; F23-Y27 PolarHBondContact O-N 3.02Å; L25-Y27 PolarHBondContact O-N 2.91Å; Y27-K29 PolarHBondContact O-N 3.15Å; Y27-K29 VanDerWaalsContact O-N 3.15Å; Y27-V65 HydrophobicContact CE2-CG1 4.23Å; Y27-P67 HydrophobicContact CD1-CB 3.89Å; Y27-P67 HydrophobicContact CD1-CG 3.59Å; Y27-P67 HydrophobicContact CE1-CB 4.18Å; Y27-P67 HydrophobicContact CE1-CG 3.44Å; Y27-P67 VanDerWaalsContact CE1-CG 3.44Å; Y27-P67 HydrophobicContact CG-CB 4.12Å; Y27-P67 HydrophobicContact CG-CG 4.28Å; Y27-E291 HydrophobicContact CD1-CB 4.36Å; Y27-E291 HydrophobicContact CE1-CB 4.15Å
28R97Very high96.6Very high218 Ų21896.4 Ų96.482%0.82345%0.452SS*.THydrogen-bonded Turntrans50.938.9175.8-53.4179.6-173.2178.42.7113.2K24 L25K24-R28 CarbonylContact O-C 3.54Å; K24-R28 VanDerWaalsContact O-CA 3.27Å; K24-R28 WeakPolarHBondContact O-CA 3.24Å; K24-R28 PolarHBondContact O-N 3.25Å; L25-R28 PolarHBondContact O-N 2.99Å
29K97Very high96.6Very high52 Ų5291.9 Ų91.923%0.22643%0.43CS..  trans-76.5134.7179.7-60.5-68.3-169.9137.80110.4F23 K24 Y27 Y31 P67 D70F23-K29 HydrophobicContact CE1-CG 3.83Å; F23-K29 HydrophobicContact CZ-CD 4.36Å; F23-K29 HydrophobicContact CZ-CG 3.88Å; K24-K29 HydrophobicContact CB-CB 4.23Å; K24-K29 HydrophobicContact CG-CB 4.11Å; K24-K29 PolarHBondContact O-N 2.96Å; Y27-K29 PolarHBondContact O-N 3.15Å; Y27-K29 VanDerWaalsContact O-N 3.15Å; K29-Y31 HydrophobicContact CB-CE2 3.66Å; K29-Y31 WeakPolarHBondContact CB-OH 3.09Å; K29-Y31 WeakPolarHBondContact CD-OH 3.26Å; K29-Y31 HydrophobicContact CG-CE2 4.5Å; K29-Y31 WeakPolarHBondContact CG-OH 3.15Å; K29-P67 WeakPolarHBondContact CE-O 3.41Å; K29-P67 PolarHBondContact NZ-O 3.16Å; K29-D70 VanDerWaalsContact NZ-CG 3.29Å; K29-D70 IonicContact NZ-OD1 2.67Å; K29-D70 PolarHBondContact NZ-OD1 2.64Å; K29-D70 IonicContact NZ-OD2 3.83Å; K29-D70 PolarHBondContact NZ-OD2 2.04Å
30Q95.6Very high96.6Very high177 Ų17789.4 Ų89.483%0.82742%0.419SS*.  trans-134.6132.5176.6-61.9-1776.800108.4
31Y96.1Very high96.5Very high47 Ų4792.3 Ų92.318%0.18444%0.435CS..  trans-138.6155.3-178.6-47.1-74.5000110Y20 K24 K29 E35 D36 R39 D70Y20-Y31 WeakPolarHBondContact OH-CE2 3.02Å; K24-Y31 HydrophobicContact CD-CD2 4.1Å; K24-Y31 HydrophobicContact CD-CE2 3.93Å; K24-Y31 HydrophobicContact CG-CE2 4.2Å; K29-Y31 HydrophobicContact CB-CE2 3.66Å; K29-Y31 WeakPolarHBondContact CB-OH 3.09Å; K29-Y31 WeakPolarHBondContact CD-OH 3.26Å; K29-Y31 HydrophobicContact CG-CE2 4.5Å; K29-Y31 WeakPolarHBondContact CG-OH 3.15Å; Y31-E35 HydrophobicContact CD1-CG 4.08Å; Y31-E35 HydrophobicContact CG-CG 4.4Å; Y31-D36 VanDerWaalsContact CD2-OD1 3.29Å; Y31-D36 WeakPolarHBondContact CD2-OD1 3.34Å; Y31-R39 HydrophobicContact CD1-CG 3.85Å; Y31-R39 HydrophobicContact CD2-CB 4.47Å; Y31-R39 HydrophobicContact CD2-CG 4.41Å; Y31-R39 HydrophobicContact CE1-CB 4.43Å; Y31-R39 HydrophobicContact CE1-CG 3.69Å; Y31-R39 HydrophobicContact CE2-CB 4.18Å; Y31-R39 HydrophobicContact CE2-CG 4.27Å; Y31-R39 HydrophobicContact CG-CG 4.19Å; Y31-D70 VanDerWaalsContact OH-CG 3.28Å; Y31-D70 PolarHBondContact OH-OD2 3.08Å
32H94.9Very high96.5Very high154 Ų15489.9 Ų89.971%0.71342%0.419SS*.  trans-68.6154.5163-70.3-71.9000110.2T34 E35 D36H32-T34 VanDerWaalsContact C-N 3.3Å; H32-T34 PolarHBondContact O-N 3.45Å; H32-E35 CarbonylContact O-C 3.46Å; H32-E35 WeakPolarHBondContact O-CA 3.34Å; H32-E35 PolarHBondContact O-N 3.18Å; H32-D36 PolarHBondContact O-N 3.48Å
33E89.7Confident96.5Very high179 Ų17984.2 Ų84.284%0.83639%0.393SS*.Hα-helixtrans-53-44.1-173.6-172.6175.4-169.800113.2E35 D36 E37E33-E35 VanDerWaalsContact C-N 3.33Å; E33-E35 PolarHBondContact O-N 3.34Å; E33-D36 PolarHBondContact O-N 3.1Å; E33-E37 PolarHBondContact O-N 3.37Å
34T92.3Very high96.5Very high115 Ų11586.5 Ų86.571%0.70640%0.403SS*.Hα-helixtrans-68-30.3177.7520000113.3H32H32-T34 VanDerWaalsContact C-N 3.3Å; H32-T34 PolarHBondContact O-N 3.45Å
35E96.2Very high96.4Very high64 Ų6487.3 Ų87.330%0.29941%0.414SS..Hα-helixtrans-79.2-35.9175.3-179.2177.1-170.500111.4Y31 H32 E33 E37 I38 R39Y31-E35 HydrophobicContact CD1-CG 4.08Å; Y31-E35 HydrophobicContact CG-CG 4.4Å; H32-E35 CarbonylContact O-C 3.46Å; H32-E35 WeakPolarHBondContact O-CA 3.34Å; H32-E35 PolarHBondContact O-N 3.18Å; E33-E35 VanDerWaalsContact C-N 3.33Å; E33-E35 PolarHBondContact O-N 3.34Å; E35-E37 VanDerWaalsContact C-N 3.28Å; E35-E37 PolarHBondContact O-N 3.07Å; E35-I38 WeakPolarHBondContact O-CB 3.03Å; E35-I38 PolarHBondContact O-N 2.86Å; E35-I38 VanDerWaalsContact O-N 3.07Å; E35-R39 HydrophobicContact CG-CG 3.78Å; E35-R39 WeakPolarHBondContact O-CB 3Å; E35-R39 VanDerWaalsContact O-CG 3.24Å; E35-R39 WeakPolarHBondContact O-CG 3.34Å; E35-R39 PolarHBondContact O-N 2.84Å; E35-R39 IonicContact OE1-CZ 3.53Å; E35-R39 IonicContact OE1-NE 3.03Å; E35-R39 PolarHBondContact OE1-NE 3.43Å; E35-R39 IonicContact OE1-NH2 3.42Å; E35-R39 PolarHBondContact OE1-NH2 3.48Å
36D97.3Very high96.3Very high42 Ų4281.8 Ų81.823%0.22539%0.386CS..Hα-helixtrans-58-41.4-179.3-161.971.5000111.4Y20 K24 Y31 H32 E33 I38 R39 F40Y20-D36 PolarHBondContact OH-O 3.3Å; Y20-D36 PolarHBondContact OH-OD1 3.39Å; K24-D36 WeakPolarHBondContact CD-OD1 3.5Å; K24-D36 IonicContact NZ-OD1 3.67Å; K24-D36 PolarHBondContact NZ-OD1 3.18Å; K24-D36 IonicContact NZ-OD2 3.76Å; K24-D36 PolarHBondContact NZ-OD2 3.13Å; Y31-D36 VanDerWaalsContact CD2-OD1 3.29Å; Y31-D36 WeakPolarHBondContact CD2-OD1 3.34Å; H32-D36 PolarHBondContact O-N 3.48Å; E33-D36 PolarHBondContact O-N 3.1Å; D36-I38 PolarHBondContact O-N 3.21Å; D36-R39 PolarHBondContact O-N 3.13Å; D36-F40 WeakPolarHBondContact O-CB 3.41Å; D36-F40 PolarHBondContact O-N 3.09Å
37E96.2Very high96.3Very high135 Ų13576.5 Ų76.563%0.63136%0.363SS*.Hα-helixtrans-63.7-42.1176.2-170.8179.6-177.500112.1E33 E35 F40 N41E33-E37 PolarHBondContact O-N 3.37Å; E35-E37 VanDerWaalsContact C-N 3.28Å; E35-E37 PolarHBondContact O-N 3.07Å; E37-F40 PolarHBondContact O-N 3.26Å; E37-N41 PolarHBondContact O-N 2.92Å; E37-N41 PolarHBondContact O-ND2 3.33Å
38I97.4Very high96.3Very high100 Ų10075.4 Ų75.451%0.51336%0.359SS..Hα-helixtrans-63.4-49.1176.6-64.7171.1000110E35 D36 F40 N41 I42E35-I38 WeakPolarHBondContact O-CB 3.03Å; E35-I38 PolarHBondContact O-N 2.86Å; E35-I38 VanDerWaalsContact O-N 3.07Å; D36-I38 PolarHBondContact O-N 3.21Å; I38-F40 VanDerWaalsContact C-N 3.29Å; I38-F40 PolarHBondContact O-N 3.24Å; I38-N41 PolarHBondContact O-N 3.36Å; I38-N41 VanDerWaalsContact O-N 3.16Å; I38-I42 HydrophobicContact CG2-CD1 3.86Å; I38-I42 WeakPolarHBondContact O-CG1 3.09Å; I38-I42 PolarHBondContact O-N 2.58Å
39R98Very high96.2Very high34 Ų3466.7 Ų66.713%0.12833%0.327CS..Hα-helixtrans-61.8-37.1179.2-65.6-70.3174.8-146.8-4111.5Y20 Y31 E35 D36 I42 F43 D70 E75Y20-R39 VanDerWaalsContact OH-CB 3.22Å; Y20-R39 WeakPolarHBondContact OH-CB 3.4Å; Y31-R39 HydrophobicContact CD1-CG 3.85Å; Y31-R39 HydrophobicContact CD2-CB 4.47Å; Y31-R39 HydrophobicContact CD2-CG 4.41Å; Y31-R39 HydrophobicContact CE1-CB 4.43Å; Y31-R39 HydrophobicContact CE1-CG 3.69Å; Y31-R39 HydrophobicContact CE2-CB 4.18Å; Y31-R39 HydrophobicContact CE2-CG 4.27Å; Y31-R39 HydrophobicContact CG-CG 4.19Å; E35-R39 HydrophobicContact CG-CG 3.78Å; E35-R39 WeakPolarHBondContact O-CB 3Å; E35-R39 VanDerWaalsContact O-CG 3.24Å; E35-R39 WeakPolarHBondContact O-CG 3.34Å; E35-R39 PolarHBondContact O-N 2.84Å; E35-R39 IonicContact OE1-CZ 3.53Å; E35-R39 IonicContact OE1-NE 3.03Å; E35-R39 PolarHBondContact OE1-NE 3.43Å; E35-R39 IonicContact OE1-NH2 3.42Å; E35-R39 PolarHBondContact OE1-NH2 3.48Å; D36-R39 PolarHBondContact O-N 3.13Å; R39-I42 PolarHBondContact O-N 2.8Å; R39-F43 VanDerWaalsContact O-CB 3.28Å; R39-F43 WeakPolarHBondContact O-CB 3.46Å; R39-F43 PolarHBondContact O-N 3.24Å; R39-D70 HydrophobicContact CB-CB 4.37Å; R39-D70 WeakPolarHBondContact CD-O 3.43Å; R39-D70 PolarHBondContact NH1-O 3.15Å; R39-E75 IonicContact CZ-OE1 3.71Å; R39-E75 IonicContact NH1-OE1 3.79Å; R39-E75 PolarHBondContact NH1-OE1 3.07Å; R39-E75 IonicContact NH1-OE2 2.78Å; R39-E75 PolarHBondContact NH1-OE2 3.15Å; R39-E75 IonicContact NH2-OE1 3.39Å; R39-E75 PolarHBondContact NH2-OE1 3.44Å
40F97.8Very high96.2Very high34 Ų3464.4 Ų64.415%0.14932%0.319CS..Hα-helixtrans-66.5-41175.1-175.3-148.1000112.4V16 D17 Y20 D36 E37 I38 I42 F43 K44V16-F40 HydrophobicContact CG1-CZ 4.38Å; V16-F40 HydrophobicContact CG2-CE2 4.34Å; D17-F40 HydrophobicContact CB-CZ 4.45Å; D17-F40 WeakPolarHBondContact OD1-CZ 3.36Å; Y20-F40 HydrophobicContact CD1-CB 3.93Å; Y20-F40 AromaticContact CD1-CD2 3.5Å; Y20-F40 HydrophobicContact CD1-CD2 3.5Å; Y20-F40 HydrophobicContact CD1-CE2 4.16Å; Y20-F40 AromaticContact CD1-CG 3.79Å; Y20-F40 HydrophobicContact CD1-CG 3.79Å; Y20-F40 AromaticContact CD2-CD2 3.9Å; Y20-F40 HydrophobicContact CD2-CD2 3.9Å; Y20-F40 HydrophobicContact CE1-CB 3.61Å; Y20-F40 HydrophobicContact CE1-CD2 4.09Å; Y20-F40 HydrophobicContact CE1-CG 4.02Å; Y20-F40 HydrophobicContact CE2-CB 4.38Å; Y20-F40 HydrophobicContact CE2-CD2 4.44Å; Y20-F40 HydrophobicContact CG-CB 4.45Å; Y20-F40 AromaticContact CG-CD2 3.4Å; Y20-F40 HydrophobicContact CG-CD2 3.4Å; Y20-F40 VanDerWaalsContact CG-CD2 3.4Å; Y20-F40 AromaticContact CG-CE2 3.91Å; Y20-F40 HydrophobicContact CG-CE2 3.91Å; Y20-F40 HydrophobicContact CG-CG 4.16Å; Y20-F40 PolarHBondContact OH-N 2.89Å; D36-F40 WeakPolarHBondContact O-CB 3.41Å; D36-F40 PolarHBondContact O-N 3.09Å; E37-F40 PolarHBondContact O-N 3.26Å; I38-F40 VanDerWaalsContact C-N 3.29Å; I38-F40 PolarHBondContact O-N 3.24Å; F40-I42 PolarHBondContact O-N 3.49Å; F40-F43 HydrophobicContact CD2-CD1 4.37Å; F40-F43 WeakPolarHBondContact O-CB 3.49Å; F40-F43 PolarHBondContact O-N 2.8Å; F40-K44 HydrophobicContact CD2-CD 4.45Å; F40-K44 HydrophobicContact CD2-CG 4.15Å; F40-K44 HydrophobicContact CE1-CD 4.34Å; F40-K44 HydrophobicContact CE2-CD 4.04Å; F40-K44 HydrophobicContact CE2-CG 3.85Å; F40-K44 HydrophobicContact CZ-CD 3.99Å; F40-K44 HydrophobicContact CZ-CG 4.3Å; F40-K44 WeakPolarHBondContact O-CG 3.44Å; F40-K44 PolarHBondContact O-N 3.31Å
41N96.5Very high96.2Very high68 Ų6858.6 Ų58.636%0.36429%0.291SS..Hα-helixtrans-64.3-39.7175.5-73.7-36.5000112.4E37 I38 K44 S45E37-N41 PolarHBondContact O-N 2.92Å; E37-N41 PolarHBondContact O-ND2 3.33Å; I38-N41 PolarHBondContact O-N 3.36Å; I38-N41 VanDerWaalsContact O-N 3.16Å; N41-K44 WeakPolarHBondContact OD1-CE 3.5Å; N41-K44 PolarHBondContact OD1-NZ 3.33Å; N41-S45 PolarHBondContact O-N 2.84Å; N41-S45 VanDerWaalsContact O-N 3.15Å; N41-S45 PolarHBondContact O-OG 2.98Å
42I97.6Very high96.1Very high22 Ų2256.9 Ų56.911%0.11329%0.285CS..Hα-helixtrans-63.4-46.3172.7-64.2162.8000110.4I38 R39 F40 K44 S45 N46 D70 L71 T72I38-I42 HydrophobicContact CG2-CD1 3.86Å; I38-I42 WeakPolarHBondContact O-CG1 3.09Å; I38-I42 PolarHBondContact O-N 2.58Å; R39-I42 PolarHBondContact O-N 2.8Å; F40-I42 PolarHBondContact O-N 3.49Å; I42-K44 PolarHBondContact O-N 2.86Å; I42-S45 WeakPolarHBondContact O-CB 3.47Å; I42-S45 PolarHBondContact O-N 2.98Å; I42-S45 VanDerWaalsContact O-N 3.16Å; I42-N46 WeakPolarHBondContact CG2-ND2 3.43Å; I42-N46 WeakPolarHBondContact O-CB 2.84Å; I42-N46 PolarHBondContact O-N 3.42Å; I42-D70 VanDerWaalsContact CG2-C 3.44Å; I42-D70 VanDerWaalsContact CG2-O 3.29Å; I42-D70 WeakPolarHBondContact CG2-O 3.48Å; I42-L71 VanDerWaalsContact CG2-C 3.46Å; I42-T72 HydrophobicContact CD1-CG2 3.76Å; I42-T72 HydrophobicContact CG1-CG2 3.86Å; I42-T72 HydrophobicContact CG2-CG2 4.19Å
43F98.2Very high96.2Very high0 Ų050.1 Ų50.10%025%0.253CS..Hα-helixtrans-56.9-46.7178-179.5-95.8000112.7K19 Y20 F23 R39 F40 S45 N46 I47 V65 S69K19-F43 HydrophobicContact CB-CE1 4.33Å; K19-F43 HydrophobicContact CB-CZ 4.42Å; Y20-F43 HydrophobicContact CD2-CB 3.81Å; Y20-F43 AromaticContact CD2-CD1 3.61Å; Y20-F43 HydrophobicContact CD2-CD1 3.61Å; Y20-F43 AromaticContact CD2-CD2 3.95Å; Y20-F43 HydrophobicContact CD2-CD2 3.95Å; Y20-F43 HydrophobicContact CD2-CE1 4.09Å; Y20-F43 HydrophobicContact CD2-CE2 4.4Å; Y20-F43 AromaticContact CD2-CG 3.52Å; Y20-F43 HydrophobicContact CD2-CG 3.52Å; Y20-F43 HydrophobicContact CD2-CZ 4.46Å; Y20-F43 HydrophobicContact CE2-CB 3.92Å; Y20-F43 HydrophobicContact CE2-CD2 4.41Å; Y20-F43 HydrophobicContact CE2-CG 4.07Å; Y20-F43 HydrophobicContact CG-CD1 4.2Å; Y20-F43 HydrophobicContact CG-CE1 4.5Å; F23-F43 HydrophobicContact CB-CE2 3.71Å; F23-F43 HydrophobicContact CB-CZ 3.94Å; F23-F43 HydrophobicContact CD1-CD2 4.03Å; F23-F43 AromaticContact CD1-CE2 3.98Å; F23-F43 HydrophobicContact CD1-CE2 3.98Å; F23-F43 HydrophobicContact CD2-CD2 4.39Å; F23-F43 AromaticContact CD2-CE2 3.86Å; F23-F43 HydrophobicContact CD2-CE2 3.86Å; F23-F43 HydrophobicContact CE1-CD2 4.36Å; F23-F43 HydrophobicContact CG-CD2 4.06Å; F23-F43 AromaticContact CG-CE2 3.55Å; F23-F43 HydrophobicContact CG-CE2 3.55Å; F23-F43 HydrophobicContact CG-CZ 4.29Å; R39-F43 VanDerWaalsContact O-CB 3.28Å; R39-F43 WeakPolarHBondContact O-CB 3.46Å; R39-F43 PolarHBondContact O-N 3.24Å; F40-F43 HydrophobicContact CD2-CD1 4.37Å; F40-F43 WeakPolarHBondContact O-CB 3.49Å; F40-F43 PolarHBondContact O-N 2.8Å; F43-S45 PolarHBondContact O-N 3.2Å; F43-N46 PolarHBondContact O-N 2.72Å; F43-I47 HydrophobicContact CD1-CD1 4.01Å; F43-I47 HydrophobicContact CD1-CG1 4.46Å; F43-I47 HydrophobicContact CE1-CD1 3.37Å; F43-I47 HydrophobicContact CE1-CG1 4.13Å; F43-I47 HydrophobicContact CZ-CD1 3.75Å; F43-I47 HydrophobicContact CZ-CG1 4.3Å; F43-I47 PolarHBondContact O-N 2.89Å; F43-V65 HydrophobicContact CE2-CG1 3.86Å; F43-V65 HydrophobicContact CE2-CG2 4Å; F43-V65 HydrophobicContact CZ-CG1 4.27Å; F43-V65 HydrophobicContact CZ-CG2 3.83Å; F43-S69 WeakPolarHBondContact CA-O 3.21Å
44K97.1Very high96.5Very high52 Ų5244.7 Ų44.723%0.22623%0.228CC..Hα-helixtrans-57-49.1174.3-73.7-177.7-62.9-173.90111.5L12 V16 F40 N41 I42 N46 I47 L48L12-K44 HydrophobicContact CD1-CB 4.01Å; L12-K44 HydrophobicContact CD1-CD 3.82Å; L12-K44 HydrophobicContact CD1-CG 4Å; L12-K44 HydrophobicContact CD2-CB 3.84Å; L12-K44 HydrophobicContact CD2-CG 4.23Å; L12-K44 VanDerWaalsContact CD2-O 3.31Å; L12-K44 WeakPolarHBondContact CD2-O 3.39Å; V16-K44 HydrophobicContact CG2-CG 3.91Å; F40-K44 HydrophobicContact CD2-CD 4.45Å; F40-K44 HydrophobicContact CD2-CG 4.15Å; F40-K44 HydrophobicContact CE1-CD 4.34Å; F40-K44 HydrophobicContact CE2-CD 4.04Å; F40-K44 HydrophobicContact CE2-CG 3.85Å; F40-K44 HydrophobicContact CZ-CD 3.99Å; F40-K44 HydrophobicContact CZ-CG 4.3Å; F40-K44 WeakPolarHBondContact O-CG 3.44Å; F40-K44 PolarHBondContact O-N 3.31Å; N41-K44 WeakPolarHBondContact OD1-CE 3.5Å; N41-K44 PolarHBondContact OD1-NZ 3.33Å; I42-K44 PolarHBondContact O-N 2.86Å; K44-N46 VanDerWaalsContact C-N 3.27Å; K44-N46 PolarHBondContact O-N 2.73Å; K44-I47 PolarHBondContact O-N 2.9Å; K44-L48 PolarHBondContact O-N 2.63Å
45S96.3Very high96.6Very high64 Ų6443.7 Ų43.745%0.44822%0.222SC..Hα-helixtrans-59.8-39.4179-580000112.2N41 I42 F43 L48 K49N41-S45 PolarHBondContact O-N 2.84Å; N41-S45 VanDerWaalsContact O-N 3.15Å; N41-S45 PolarHBondContact O-OG 2.98Å; I42-S45 WeakPolarHBondContact O-CB 3.47Å; I42-S45 PolarHBondContact O-N 2.98Å; I42-S45 VanDerWaalsContact O-N 3.16Å; F43-S45 PolarHBondContact O-N 3.2Å; S45-L48 PolarHBondContact O-N 3.32Å; S45-K49 PolarHBondContact O-N 2.82Å; S45-K49 VanDerWaalsContact O-N 3.16Å
46N97.1Very high96.5Very high2 Ų245 Ų451%0.01123%0.227CC..Hα-helixtrans-75.2-30.5179.8-76.8-17.9000113.4I42 F43 K44 L48 K49 A50 S69 L71 F245I42-N46 WeakPolarHBondContact CG2-ND2 3.43Å; I42-N46 WeakPolarHBondContact O-CB 2.84Å; I42-N46 PolarHBondContact O-N 3.42Å; F43-N46 PolarHBondContact O-N 2.72Å; K44-N46 VanDerWaalsContact C-N 3.27Å; K44-N46 PolarHBondContact O-N 2.73Å; N46-L48 VanDerWaalsContact C-N 3.27Å; N46-L48 PolarHBondContact O-N 2.88Å; N46-K49 PolarHBondContact O-N 2.82Å; N46-K49 PolarHBondContact OD1-NZ 2.75Å; N46-A50 PolarHBondContact O-N 2.93Å; N46-S69 WeakPolarHBondContact CB-O 2.77Å; N46-S69 PolarHBondContact ND2-O 3.33Å; N46-L71 PolarHBondContact ND2-O 3.07Å; N46-F245 HydrophobicContact CB-CE1 3.61Å; N46-F245 HydrophobicContact CB-CZ 3.78Å
47I97.1Very high96.4Very high16 Ų1644.1 Ų44.18%0.08222%0.223CC..Hα-helixtrans-57.8-44168.6-78.3-174.1000110.6L12 P13 V16 K19 F43 K44 K49 A50 Q51 V65L12-I47 HydrophobicContact CD2-CB 4.47Å; L12-I47 HydrophobicContact CD2-CG2 4.33Å; P13-I47 HydrophobicContact CG-CG2 4.21Å; V16-I47 HydrophobicContact CG2-CD1 4.06Å; K19-I47 HydrophobicContact CD-CD1 4.39Å; F43-I47 HydrophobicContact CD1-CD1 4.01Å; F43-I47 HydrophobicContact CD1-CG1 4.46Å; F43-I47 HydrophobicContact CE1-CD1 3.37Å; F43-I47 HydrophobicContact CE1-CG1 4.13Å; F43-I47 HydrophobicContact CZ-CD1 3.75Å; F43-I47 HydrophobicContact CZ-CG1 4.3Å; F43-I47 PolarHBondContact O-N 2.89Å; K44-I47 PolarHBondContact O-N 2.9Å; I47-K49 VanDerWaalsContact C-N 3.35Å; I47-K49 PolarHBondContact O-N 3.4Å; I47-A50 PolarHBondContact O-N 3Å; I47-Q51 WeakPolarHBondContact O-CG 3.17Å; I47-Q51 PolarHBondContact O-N 3.04Å; I47-V65 HydrophobicContact CD1-CG2 4.46Å; I47-V65 HydrophobicContact CG1-CG2 4.43Å
48L96.6Very high96.4Very high8 Ų842.8 Ų42.84%0.04221%0.212CC..Hα-helixtrans-65.7-38.5177.9-58.5178.1000111.5L5 E6 F10 L12 K44 S45 N46 Q51 L52L5-L48 HydrophobicContact CB-CB 3.96Å; L5-L48 HydrophobicContact CB-CD1 4.31Å; L5-L48 VanDerWaalsContact CD1-C 3.44Å; L5-L48 HydrophobicContact CD1-CB 3.74Å; L5-L48 HydrophobicContact CG-CB 4.49Å; E6-L48 HydrophobicContact CG-CD1 3.64Å; F10-L48 HydrophobicContact CB-CD2 4.07Å; L12-L48 HydrophobicContact CD2-CD1 4.34Å; L12-L48 HydrophobicContact CD2-CD2 3.85Å; L12-L48 HydrophobicContact CD2-CG 3.86Å; L12-L48 HydrophobicContact CG-CD2 4.13Å; L12-L48 HydrophobicContact CG-CG 4.43Å; K44-L48 PolarHBondContact O-N 2.63Å; S45-L48 PolarHBondContact O-N 3.32Å; N46-L48 VanDerWaalsContact C-N 3.27Å; N46-L48 PolarHBondContact O-N 2.88Å; L48-Q51 WeakPolarHBondContact O-CB 3.39Å; L48-Q51 PolarHBondContact O-N 3.47Å; L48-L52 PolarHBondContact O-N 2.88Å
49K95.3Very high96.3Very high35 Ų3538.7 Ų38.715%0.15219%0.194CC..Hα-helixtrans-62.9-43.2173.8-69.9178.2-170.1163.80112.1M1 L5 S45 N46 I47 Q51 L52 Y53 T73 F245M1-K49 HydrophobicContact CE-CD 3.92Å; M1-K49 HydrophobicContact CE-CG 4.45Å; M1-K49 HydrophobicContact SD-CD 4.41Å; M1-K49 HydrophobicContact SD-CG 4.31Å; L5-K49 HydrophobicContact CD1-CB 4.39Å; L5-K49 HydrophobicContact CD1-CG 3.89Å; S45-K49 PolarHBondContact O-N 2.82Å; S45-K49 VanDerWaalsContact O-N 3.16Å; N46-K49 PolarHBondContact O-N 2.82Å; N46-K49 PolarHBondContact OD1-NZ 2.75Å; I47-K49 VanDerWaalsContact C-N 3.35Å; I47-K49 PolarHBondContact O-N 3.4Å; K49-Q51 VanDerWaalsContact C-N 3.33Å; K49-Q51 PolarHBondContact O-N 3.41Å; K49-L52 WeakPolarHBondContact O-CB 3.16Å; K49-L52 PolarHBondContact O-N 3.25Å; K49-Y53 PolarHBondContact O-N 3.03Å; K49-T73 PolarHBondContact NZ-OG1 3.27Å; K49-F245 HydrophobicContact CB-CE2 3.89Å; K49-F245 HydrophobicContact CB-CZ 4.39Å; K49-F245 HydrophobicContact CD-CE2 4.25Å; K49-F245 HydrophobicContact CD-CZ 4.34Å
50A96.4Very high96.2Very high5 Ų539.4 Ų39.44%0.04121%0.205CC..Hα-helixtrans-62.3-41176.500000111.4N46 I47 L52 Y53 Q54 F245N46-A50 PolarHBondContact O-N 2.93Å; I47-A50 PolarHBondContact O-N 3Å; A50-L52 VanDerWaalsContact C-N 3.35Å; A50-L52 PolarHBondContact O-N 3.15Å; A50-Y53 PolarHBondContact O-N 2.83Å; A50-Q54 WeakPolarHBondContact O-CB 3.1Å; A50-Q54 PolarHBondContact O-N 2.88Å; A50-F245 HydrophobicContact CB-CB 3.97Å; A50-F245 HydrophobicContact CB-CD2 4.45Å; A50-F245 HydrophobicContact CB-CG 4.07Å
51Q96Very high96.3Very high55 Ų5537.8 Ų37.826%0.25720%0.198SC..Hα-helixtrans-60.6-42.8172.8-70.2174-6.800112F10 K11 I47 L48 K49 Y53 Q54 V55F10-Q51 HydrophobicContact CD1-CB 3.65Å; F10-Q51 HydrophobicContact CE1-CB 3.96Å; K11-Q51 PolarHBondContact O-NE2 2.89Å; K11-Q51 PolarHBondContact O-OE1 2.82Å; I47-Q51 WeakPolarHBondContact O-CG 3.17Å; I47-Q51 PolarHBondContact O-N 3.04Å; L48-Q51 WeakPolarHBondContact O-CB 3.39Å; L48-Q51 PolarHBondContact O-N 3.47Å; K49-Q51 VanDerWaalsContact C-N 3.33Å; K49-Q51 PolarHBondContact O-N 3.41Å; Q51-Y53 PolarHBondContact O-N 3.36Å; Q51-Q54 WeakPolarHBondContact O-CB 3.47Å; Q51-Q54 PolarHBondContact O-N 2.82Å; Q51-V55 WeakPolarHBondContact O-CG2 3.49Å; Q51-V55 PolarHBondContact O-N 2.83Å
52L95.1Very high96.3Very high11 Ų1137.5 Ų37.56%0.05820%0.195CC..Hα-helixtrans-57.4-50.2175.5-179.576.1000110.9M1 L5 F10 L48 K49 A50 Q54 V55 F56 F257M1-L52 HydrophobicContact SD-CD2 4.38Å; L5-L52 HydrophobicContact CD1-CB 4.47Å; L5-L52 HydrophobicContact CD2-CD1 4.22Å; L5-L52 HydrophobicContact CD2-CD2 3.91Å; L5-L52 HydrophobicContact CD2-CG 4.45Å; F10-L52 HydrophobicContact CE1-CB 4.35Å; F10-L52 HydrophobicContact CE2-CD1 3.61Å; F10-L52 HydrophobicContact CZ-CB 4.15Å; F10-L52 HydrophobicContact CZ-CD1 3.61Å; F10-L52 HydrophobicContact CZ-CG 4.5Å; L48-L52 PolarHBondContact O-N 2.88Å; K49-L52 WeakPolarHBondContact O-CB 3.16Å; K49-L52 PolarHBondContact O-N 3.25Å; A50-L52 VanDerWaalsContact C-N 3.35Å; A50-L52 PolarHBondContact O-N 3.15Å; L52-Q54 VanDerWaalsContact C-N 3.29Å; L52-Q54 PolarHBondContact O-N 3.46Å; L52-V55 PolarHBondContact O-N 3.42Å; L52-F56 HydrophobicContact CD1-CD2 3.92Å; L52-F56 HydrophobicContact CD1-CE2 3.56Å; L52-F56 HydrophobicContact CG-CD2 4.21Å; L52-F56 HydrophobicContact CG-CE2 4.33Å; L52-F56 VanDerWaalsContact O-CD2 3.28Å; L52-F56 WeakPolarHBondContact O-CD2 3.17Å; L52-F56 PolarHBondContact O-N 3.41Å; L52-F257 HydrophobicContact CD2-CE1 4.12Å
53Y95.3Very high96.4Very high11 Ų1137 Ų374%0.04319%0.192CC..Hα-helixtrans-62.2-38.4177.9-61.9-23.1000112.2M1 K49 A50 Q51 V55 F56 V57 L242 F245 F257M1-Y53 WeakPolarHBondContact CE-OH 3.05Å; M1-Y53 HydrophobicContact SD-CE1 4.13Å; M1-Y53 PolarHBondContact SD-OH 2.91Å; K49-Y53 PolarHBondContact O-N 3.03Å; A50-Y53 PolarHBondContact O-N 2.83Å; Q51-Y53 PolarHBondContact O-N 3.36Å; Y53-V55 VanDerWaalsContact C-N 3.29Å; Y53-V55 PolarHBondContact O-N 3.42Å; Y53-F56 PolarHBondContact O-N 3.23Å; Y53-V57 PolarHBondContact O-N 3.13Å; Y53-L242 HydrophobicContact CD2-CB 4.14Å; Y53-L242 HydrophobicContact CD2-CD1 4.42Å; Y53-L242 HydrophobicContact CE2-CB 3.8Å; Y53-L242 HydrophobicContact CG-CD1 4.38Å; Y53-F245 AromaticContact CD2-CD2 3.79Å; Y53-F245 HydrophobicContact CD2-CD2 3.79Å; Y53-F245 HydrophobicContact CD2-CE2 4.47Å; Y53-F245 AromaticContact CE2-CD2 3.58Å; Y53-F245 HydrophobicContact CE2-CD2 3.58Å; Y53-F245 AromaticContact CE2-CE2 3.87Å; Y53-F245 HydrophobicContact CE2-CE2 3.87Å; Y53-F257 HydrophobicContact CD1-CD1 4.16Å; Y53-F257 HydrophobicContact CD1-CE1 4.48Å; Y53-F257 HydrophobicContact CD1-CG 4.31Å; Y53-F257 HydrophobicContact CE1-CB 4.42Å; Y53-F257 AromaticContact CE1-CD1 3.74Å; Y53-F257 HydrophobicContact CE1-CD1 3.74Å; Y53-F257 HydrophobicContact CE1-CE1 4.24Å; Y53-F257 HydrophobicContact CE1-CG 4.17Å
54Q96.1Very high96.3Very high65 Ų6537.8 Ų37.830%0.30420%0.2SC..Hα-helixtrans-62.1-35.3177.1-169.661.471.300113.1A50 Q51 L52 A61 I62A50-Q54 WeakPolarHBondContact O-CB 3.1Å; A50-Q54 PolarHBondContact O-N 2.88Å; Q51-Q54 WeakPolarHBondContact O-CB 3.47Å; Q51-Q54 PolarHBondContact O-N 2.82Å; L52-Q54 VanDerWaalsContact C-N 3.29Å; L52-Q54 PolarHBondContact O-N 3.46Å; Q54-A61 PolarHBondContact NE2-O 2.88Å; Q54-A61 VanDerWaalsContact NE2-O 3.1Å; Q54-I62 VanDerWaalsContact OE1-CA 3.27Å
55V95.2Very high96.4Very high95 Ų9536.9 Ų36.958%0.57620%0.199SC*.Hα-helixtrans-69.2-35.1177.1168.40000111.8F10 Q51 L52 Y53F10-V55 HydrophobicContact CE1-CG2 3.84Å; F10-V55 HydrophobicContact CZ-CB 4.48Å; F10-V55 HydrophobicContact CZ-CG2 4.13Å; Q51-V55 WeakPolarHBondContact O-CG2 3.49Å; Q51-V55 PolarHBondContact O-N 2.83Å; L52-V55 PolarHBondContact O-N 3.42Å; Y53-V55 VanDerWaalsContact C-N 3.29Å; Y53-V55 PolarHBondContact O-N 3.42Å
56F94.4Very high96.5Very high91 Ų9133.9 Ų33.940%0.39918%0.178SC..Hα-helixtrans-99.7-11.7-172-73.4-69.3000115L52 Y53 R58 W254 F257L52-F56 HydrophobicContact CD1-CD2 3.92Å; L52-F56 HydrophobicContact CD1-CE2 3.56Å; L52-F56 HydrophobicContact CG-CD2 4.21Å; L52-F56 HydrophobicContact CG-CE2 4.33Å; L52-F56 VanDerWaalsContact O-CD2 3.28Å; L52-F56 WeakPolarHBondContact O-CD2 3.17Å; L52-F56 PolarHBondContact O-N 3.41Å; Y53-F56 PolarHBondContact O-N 3.23Å; F56-R58 PolarHBondContact O-N 3.11Å; F56-W254 PolarHBondContact O-NE1 2.98Å; F56-F257 HydrophobicContact CB-CD2 4.41Å; F56-F257 HydrophobicContact CB-CE2 3.63Å; F56-F257 HydrophobicContact CB-CZ 4.37Å; F56-F257 AromaticContact CD2-CE2 3.96Å; F56-F257 HydrophobicContact CD2-CE2 3.96Å; F56-F257 AromaticContact CD2-CZ 3.84Å; F56-F257 HydrophobicContact CD2-CZ 3.84Å; F56-F257 HydrophobicContact CE2-CZ 4.44Å; F56-F257 AromaticContact CG-CE2 3.82Å; F56-F257 HydrophobicContact CG-CE2 3.82Å; F56-F257 HydrophobicContact CG-CZ 4.17Å
57V95.4Very high96.5Very high23 Ų2334.5 Ų34.514%0.13918%0.182CC..  trans-61.5134.1178.6720000110.9Y53 A61 Y63Y53-V57 PolarHBondContact O-N 3.13Å; V57-A61 HydrophobicContact CG2-CB 4.23Å; V57-Y63 HydrophobicContact CB-CE2 3.79Å; V57-Y63 HydrophobicContact CG1-CE2 4.28Å; V57-Y63 HydrophobicContact CG2-CE2 3.75Å
58R95.9Very high96.5Very high108 Ų10834.5 Ų34.541%0.40818%0.181SC..SBendtrans-88.4-29.2178.8-63.9179.2-70.5146.5-7.6112.6F56 H252 P253 D304F56-R58 PolarHBondContact O-N 3.11Å; R58-H252 HydrophobicContact CB-CB 4.28Å; R58-H252 WeakPolarHBondContact CB-O 3.48Å; R58-H252 PolarHBondContact N-O 3.13Å; R58-H252 PolarHBondContact NH1-CE1 3.14Å; R58-H252 PolarHBondContact NH1-NE2 2.95Å; R58-H252 PolarHBondContact NH2-CD2 3.38Å; R58-H252 PolarHBondContact NH2-NE2 2.83Å; R58-P253 PolarHBondContact NH2-O 2.57Å; R58-P253 VanDerWaalsContact NH2-O 3.12Å; R58-D304 IonicContact NH1-OD2 3.22Å; R58-D304 IonicContact NH2-OD2 2.91Å; R58-D304 PolarHBondContact NH2-OD2 2.67Å
59G94.9Very high96.6Very high14 Ų1434.2 Ų34.214%0.14418%0.18CC..SBendtrans-88.7-168.6179.900000111.9A61 I250G59-A61 VanDerWaalsContact C-N 3.33Å; G59-A61 PolarHBondContact O-N 3.29Å; G59-I250 CarbonylContact C-O 3.58Å; G59-I250 WeakPolarHBondContact CA-O 3.33Å
60S96.9Very high96.7Very high49 Ų4932.7 Ų32.734%0.34317%0.173SC..SBendtrans-87.68.3-176.553.50000114.9I250S60-I250 PolarHBondContact N-O 2.97Å; S60-I250 VanDerWaalsContact N-O 3.13Å; S60-I250 WeakPolarHBondContact OG-CB 3.43Å; S60-I250 PolarHBondContact OG-N 3.25Å
61A98Very high96.7Very high0 Ų033.6 Ų33.60%018%0.177CC..  trans-65.2140.8-177.800000113.4Q54 V57 G59 Y63 Y246 H248 I250Q54-A61 PolarHBondContact NE2-O 2.88Å; Q54-A61 VanDerWaalsContact NE2-O 3.1Å; V57-A61 HydrophobicContact CG2-CB 4.23Å; G59-A61 VanDerWaalsContact C-N 3.33Å; G59-A61 PolarHBondContact O-N 3.29Å; A61-Y63 HydrophobicContact CB-CE2 3.94Å; A61-Y246 HydrophobicContact CB-CD2 4.2Å; A61-Y246 HydrophobicContact CB-CE2 4.01Å; A61-H248 CarbonylContact C-O 3.5Å; A61-H248 VanDerWaalsContact CA-O 3.23Å; A61-H248 WeakPolarHBondContact CA-O 3.47Å; A61-I250 WeakPolarHBondContact CB-O 3.5Å; A61-I250 PolarHBondContact N-O 3.1Å
62I98.4Very high96.7Very high61 Ų6133.2 Ų33.231%0.31318%0.179SC..EExtended strand (participates in β ladder)trans-102.6125.2168.7-58.5-56.3000108.6Q54 Q247 H248Q54-I62 VanDerWaalsContact OE1-CA 3.27Å; I62-Q247 PolarHBondContact O-N 2.9Å; I62-H248 WeakPolarHBondContact CG1-CE1 3.29Å; I62-H248 PolarHBondContact N-O 3.3Å
63Y98.1Very high96.7Very high12 Ų1234.2 Ų34.25%0.04719%0.185CC..EExtended strand (participates in β ladder)trans-106.8140.2171.7-58.9-85.1000110.2V57 A61 L242 F245 Y246 S251V57-Y63 HydrophobicContact CB-CE2 3.79Å; V57-Y63 HydrophobicContact CG1-CE2 4.28Å; V57-Y63 HydrophobicContact CG2-CE2 3.75Å; A61-Y63 HydrophobicContact CB-CE2 3.94Å; Y63-L242 HydrophobicContact CE1-CD1 3.81Å; Y63-L242 HydrophobicContact CE1-CG 3.94Å; Y63-L242 WeakPolarHBondContact OH-CD1 3.29Å; Y63-F245 CarbonylContact C-O 3.03Å; Y63-F245 WeakPolarHBondContact CA-O 3.47Å; Y63-F245 HydrophobicContact CD1-CB 4.4Å; Y63-Y246 HydrophobicContact CE1-CD2 4.38Å; Y63-S251 PolarHBondContact OH-OG 3.35Å
64G97.4Very high96.5Very high16 Ų1638.5 Ų38.517%0.16521%0.209CC..  trans-176-150.9-175.900000113.2F245G64-F245 PolarHBondContact N-O 3.4Å
65V98.1Very high96.4Very high33 Ų3338.4 Ų38.420%0.221%0.209CC..  trans-74.4127.7-177.61770000110.3F23 Y27 F43 I47 S69 Q247F23-V65 HydrophobicContact CB-CG1 4.16Å; F23-V65 HydrophobicContact CD2-CG1 3.59Å; F23-V65 HydrophobicContact CG-CG1 4.26Å; Y27-V65 HydrophobicContact CE2-CG1 4.23Å; F43-V65 HydrophobicContact CE2-CG1 3.86Å; F43-V65 HydrophobicContact CE2-CG2 4Å; F43-V65 HydrophobicContact CZ-CG1 4.27Å; F43-V65 HydrophobicContact CZ-CG2 3.83Å; I47-V65 HydrophobicContact CD1-CG2 4.46Å; I47-V65 HydrophobicContact CG1-CG2 4.43Å; V65-S69 WeakPolarHBondContact CA-OG 3.43Å; V65-Q247 PolarHBondContact O-NE2 3.42Å
66T98.2Very high96.4Very high2 Ų233.9 Ų33.91%0.01218%0.181CC..  trans-130.9170.4179.7650000109.3F23 Y68 S69 Q244 Y246 Q247F23-T66 WeakPolarHBondContact CE2-O 3.43Å; T66-Y68 PolarHBondContact O-N 2.75Å; T66-Y68 PolarHBondContact OG1-N 3.39Å; T66-S69 PolarHBondContact N-OG 2.76Å; T66-S69 WeakPolarHBondContact O-CB 3.39Å; T66-S69 PolarHBondContact O-N 2.92Å; T66-S69 VanDerWaalsContact O-N 3.14Å; T66-S69 PolarHBondContact O-OG 3.01Å; T66-S69 VanDerWaalsContact O-OG 3.11Å; T66-S69 PolarHBondContact OG1-OG 2.88Å; T66-Q244 WeakPolarHBondContact CB-O 3.39Å; T66-Q244 WeakPolarHBondContact CG2-O 3.34Å; T66-Q244 PolarHBondContact OG1-O 2.79Å; T66-Y246 WeakPolarHBondContact CG2-O 3.48Å; T66-Q247 HydrophobicContact CG2-CG 4.43Å
67P97.7Very high96.3Very high15 Ų1531 Ų3110%0.09717%0.174CC..THydrogen-bonded Turntrans-55.1-16.9175.3-20.927.7000115.1Y27 K29 E291 W292Y27-P67 HydrophobicContact CD1-CB 3.89Å; Y27-P67 HydrophobicContact CD1-CG 3.59Å; Y27-P67 HydrophobicContact CE1-CB 4.18Å; Y27-P67 HydrophobicContact CE1-CG 3.44Å; Y27-P67 VanDerWaalsContact CE1-CG 3.44Å; Y27-P67 HydrophobicContact CG-CB 4.12Å; Y27-P67 HydrophobicContact CG-CG 4.28Å; K29-P67 WeakPolarHBondContact CE-O 3.41Å; K29-P67 PolarHBondContact NZ-O 3.16Å; P67-E291 HydrophobicContact CG-CB 3.98Å; P67-W292 HydrophobicContact CG-CB 4.47Å
68Y97.7Very high95.9Very high15 Ų1539.2 Ų39.26%0.05920%0.203CC..THydrogen-bonded Turntrans-107.38.9-173-49.8-58.8000113.3T66 D70 L71 F76 H80 Q244 W288 W292T66-Y68 PolarHBondContact O-N 2.75Å; T66-Y68 PolarHBondContact OG1-N 3.39Å; Y68-D70 PolarHBondContact O-N 2.76Å; Y68-L71 HydrophobicContact CD1-CD1 3.98Å; Y68-L71 PolarHBondContact O-N 2.81Å; Y68-L71 VanDerWaalsContact O-N 3.11Å; Y68-F76 HydrophobicContact CD1-CE2 4.47Å; Y68-F76 AromaticContact CD2-CE2 3.84Å; Y68-F76 HydrophobicContact CD2-CE2 3.84Å; Y68-F76 HydrophobicContact CE2-CE2 4.49Å; Y68-F76 HydrophobicContact CG-CD2 4.08Å; Y68-F76 AromaticContact CG-CE2 3.81Å; Y68-F76 HydrophobicContact CG-CE2 3.81Å; Y68-H80 AromaticContact CD1-CE1 3.95Å; Y68-H80 AromaticContact CD1-NE2 3.7Å; Y68-H80 AromaticContact CE1-CD2 3.57Å; Y68-H80 AromaticContact CE1-CE1 3.73Å; Y68-H80 AromaticContact CE1-NE2 3.04Å; Y68-H80 WeakPolarHBondContact CE1-NE2 3.38Å; Y68-H80 AromaticContact CZ-CD2 3.72Å; Y68-H80 AromaticContact CZ-NE2 3.64Å; Y68-Q244 PolarHBondContact O-NE2 3.47Å; Y68-W288 HydrophobicContact CE2-CB 3.9Å; Y68-W288 HydrophobicContact CE2-CD2 4.4Å; Y68-W288 HydrophobicContact CE2-CE3 4.24Å; Y68-W288 HydrophobicContact CE2-CG 4.27Å; Y68-W288 WeakPolarHBondContact OH-CB 3.45Å; Y68-W288 PolarHBondContact OH-O 3.32Å; Y68-W292 AromaticContact CD2-CD1 3.73Å; Y68-W292 HydrophobicContact CE2-CB 4.15Å; Y68-W292 AromaticContact CE2-CD1 3.64Å; Y68-W292 HydrophobicContact CE2-CG 4.03Å
69S97.9Very high95.4Very high3 Ų335.5 Ų35.52%0.02119%0.192CC..THydrogen-bonded Turntrans-68.3-13.8-176.2-66.10000113.9F43 N46 V65 T66F43-S69 WeakPolarHBondContact CA-O 3.21Å; N46-S69 WeakPolarHBondContact CB-O 2.77Å; N46-S69 PolarHBondContact ND2-O 3.33Å; V65-S69 WeakPolarHBondContact CA-OG 3.43Å; T66-S69 PolarHBondContact N-OG 2.76Å; T66-S69 WeakPolarHBondContact O-CB 3.39Å; T66-S69 PolarHBondContact O-N 2.92Å; T66-S69 VanDerWaalsContact O-N 3.14Å; T66-S69 PolarHBondContact O-OG 3.01Å; T66-S69 VanDerWaalsContact O-OG 3.11Å; T66-S69 PolarHBondContact OG1-OG 2.88Å
70D97.7Very high95.3Very high2 Ų235.3 Ų35.31%0.01119%0.188CC..THydrogen-bonded Turntrans-942.3174.365.5-43.3000114.1F23 K29 Y31 R39 I42 Y68F23-D70 HydrophobicContact CE1-CB 3.79Å; F23-D70 HydrophobicContact CZ-CB 3.77Å; F23-D70 WeakPolarHBondContact CZ-OD1 3.47Å; K29-D70 VanDerWaalsContact NZ-CG 3.29Å; K29-D70 IonicContact NZ-OD1 2.67Å; K29-D70 PolarHBondContact NZ-OD1 2.64Å; K29-D70 IonicContact NZ-OD2 3.83Å; K29-D70 PolarHBondContact NZ-OD2 2.04Å; Y31-D70 VanDerWaalsContact OH-CG 3.28Å; Y31-D70 PolarHBondContact OH-OD2 3.08Å; R39-D70 HydrophobicContact CB-CB 4.37Å; R39-D70 WeakPolarHBondContact CD-O 3.43Å; R39-D70 PolarHBondContact NH1-O 3.15Å; I42-D70 VanDerWaalsContact CG2-C 3.44Å; I42-D70 VanDerWaalsContact CG2-O 3.29Å; I42-D70 WeakPolarHBondContact CG2-O 3.48Å; Y68-D70 PolarHBondContact O-N 2.76Å
71L97Very high95.1Very high24 Ų2433.1 Ų33.113%0.12617%0.172CC..SBendtrans-99.1135.9178.5-57.6-175.5000110.8I42 N46 Y68 E75 F76 Q244I42-L71 VanDerWaalsContact CG2-C 3.46Å; N46-L71 PolarHBondContact ND2-O 3.07Å; Y68-L71 HydrophobicContact CD1-CD1 3.98Å; Y68-L71 PolarHBondContact O-N 2.81Å; Y68-L71 VanDerWaalsContact O-N 3.11Å; L71-E75 HydrophobicContact CB-CB 4.22Å; L71-F76 HydrophobicContact CB-CB 4.31Å; L71-F76 HydrophobicContact CD1-CD2 4.45Å; L71-Q244 PolarHBondContact O-NE2 3.18Å
72T96.1Very high94.4Very high48 Ų4833.8 Ų33.829%0.29418%0.176SC..  trans-62.2162.7167.560.70000110.5I42 D74 E75 F76I42-T72 HydrophobicContact CD1-CG2 3.76Å; I42-T72 HydrophobicContact CG1-CG2 3.86Å; I42-T72 HydrophobicContact CG2-CG2 4.19Å; T72-D74 PolarHBondContact O-N 2.75Å; T72-E75 WeakPolarHBondContact CB-OE2 3.32Å; T72-E75 WeakPolarHBondContact CG2-OE2 3.41Å; T72-E75 PolarHBondContact N-OE2 3.17Å; T72-E75 PolarHBondContact O-N 3.16Å; T72-E75 WeakPolarHBondContact OG1-CB 3.45Å; T72-E75 WeakPolarHBondContact OG1-CG 3.29Å; T72-E75 PolarHBondContact OG1-N 2.92Å; T72-E75 VanDerWaalsContact OG1-N 3.11Å; T72-E75 PolarHBondContact OG1-OE2 3.11Å; T72-F76 WeakPolarHBondContact O-CB 3.42Å; T72-F76 PolarHBondContact O-N 2.83Å
73T93.9Very high93.2Very high31 Ų3134.2 Ų34.219%0.1919%0.189CC..Hα-helixtrans-57.4-39.2175.4-62.80000111.3K49 A77 L241K49-T73 PolarHBondContact NZ-OG1 3.27Å; T73-A77 VanDerWaalsContact O-CB 3.26Å; T73-A77 WeakPolarHBondContact O-CB 3.32Å; T73-A77 PolarHBondContact O-N 2.89Å; T73-L241 HydrophobicContact CG2-CD1 3.74Å; T73-L241 HydrophobicContact CG2-CD2 3.72Å; T73-L241 HydrophobicContact CG2-CG 4.06Å
74D92.8Very high91.8Very high102 Ų10237 Ų3755%0.54521%0.21SC..Hα-helixtrans-73.8-41.2179.3-67.5-9.8000112.5T72 A77 R78T72-D74 PolarHBondContact O-N 2.75Å; D74-A77 PolarHBondContact O-N 3.3Å; D74-R78 WeakPolarHBondContact O-CB 3.07Å; D74-R78 VanDerWaalsContact O-CG 3.28Å; D74-R78 WeakPolarHBondContact O-CG 3.5Å; D74-R78 PolarHBondContact O-N 3.13Å
75E93.5Very high90.6Very high62 Ų6237.2 Ų37.229%0.2921%0.206SC..Hα-helixtrans-60.2-49173.7-75.7166.9131.800110.4R39 L71 T72 A77 R78 T79R39-E75 IonicContact CZ-OE1 3.71Å; R39-E75 IonicContact NH1-OE1 3.79Å; R39-E75 PolarHBondContact NH1-OE1 3.07Å; R39-E75 IonicContact NH1-OE2 2.78Å; R39-E75 PolarHBondContact NH1-OE2 3.15Å; R39-E75 IonicContact NH2-OE1 3.39Å; R39-E75 PolarHBondContact NH2-OE1 3.44Å; L71-E75 HydrophobicContact CB-CB 4.22Å; T72-E75 WeakPolarHBondContact CB-OE2 3.32Å; T72-E75 WeakPolarHBondContact CG2-OE2 3.41Å; T72-E75 PolarHBondContact N-OE2 3.17Å; T72-E75 PolarHBondContact O-N 3.16Å; T72-E75 WeakPolarHBondContact OG1-CB 3.45Å; T72-E75 WeakPolarHBondContact OG1-CG 3.29Å; T72-E75 PolarHBondContact OG1-N 2.92Å; T72-E75 VanDerWaalsContact OG1-N 3.11Å; T72-E75 PolarHBondContact OG1-OE2 3.11Å; E75-A77 PolarHBondContact O-N 2.81Å; E75-R78 PolarHBondContact O-N 3.28Å; E75-T79 WeakPolarHBondContact O-CB 3.19Å; E75-T79 WeakPolarHBondContact O-CG2 3.22Å; E75-T79 PolarHBondContact O-N 3.07Å; E75-T79 VanDerWaalsContact O-N 3.08Å; E75-T79 PolarHBondContact O-OG1 3.08Å
76F95Very high88.6Confident0 Ų041.7 Ų41.70%023%0.233CC..Hα-helixtrans-59.6-48.5178.7-178.1-103.9000111.6Y68 L71 T72 R78 T79 H80 L81 L241 Q244 W288Y68-F76 HydrophobicContact CD1-CE2 4.47Å; Y68-F76 AromaticContact CD2-CE2 3.84Å; Y68-F76 HydrophobicContact CD2-CE2 3.84Å; Y68-F76 HydrophobicContact CE2-CE2 4.49Å; Y68-F76 HydrophobicContact CG-CD2 4.08Å; Y68-F76 AromaticContact CG-CE2 3.81Å; Y68-F76 HydrophobicContact CG-CE2 3.81Å; L71-F76 HydrophobicContact CB-CB 4.31Å; L71-F76 HydrophobicContact CD1-CD2 4.45Å; T72-F76 WeakPolarHBondContact O-CB 3.42Å; T72-F76 PolarHBondContact O-N 2.83Å; F76-R78 PolarHBondContact O-N 3.45Å; F76-T79 PolarHBondContact O-N 2.87Å; F76-H80 HydrophobicContact CD2-CB 4.1Å; F76-H80 HydrophobicContact CE2-CB 3.85Å; F76-H80 HydrophobicContact CZ-CB 4.24Å; F76-H80 WeakPolarHBondContact O-CB 3.14Å; F76-H80 PolarHBondContact O-N 3.19Å; F76-L81 HydrophobicContact CD1-CD1 4.23Å; F76-L81 HydrophobicContact CD1-CG 4.34Å; F76-L81 HydrophobicContact CE1-CD1 4.15Å; F76-L81 HydrophobicContact CE1-CD2 4.02Å; F76-L81 HydrophobicContact CE1-CG 4.11Å; F76-L241 HydrophobicContact CD1-CD1 4.25Å; F76-Q244 HydrophobicContact CD1-CB 3.91Å; F76-Q244 HydrophobicContact CD1-CG 4.04Å; F76-Q244 HydrophobicContact CD2-CB 4.37Å; F76-Q244 HydrophobicContact CD2-CG 3.81Å; F76-Q244 HydrophobicContact CE1-CB 3.69Å; F76-Q244 HydrophobicContact CE1-CG 4.19Å; F76-Q244 HydrophobicContact CE2-CB 4.18Å; F76-Q244 HydrophobicContact CE2-CG 3.96Å; F76-Q244 HydrophobicContact CG-CB 4.23Å; F76-Q244 HydrophobicContact CG-CG 3.84Å; F76-Q244 HydrophobicContact CZ-CB 3.83Å; F76-Q244 HydrophobicContact CZ-CG 4.13Å; F76-W288 HydrophobicContact CE1-CH2 4.06Å; F76-W288 HydrophobicContact CE1-CZ2 4.42Å; F76-W288 HydrophobicContact CE2-CE3 4.48Å; F76-W288 HydrophobicContact CE2-CZ3 4.42Å; F76-W288 HydrophobicContact CZ-CD2 4.42Å; F76-W288 HydrophobicContact CZ-CE3 4.07Å; F76-W288 AromaticContact CZ-CH2 3.47Å; F76-W288 HydrophobicContact CZ-CH2 3.47Å; F76-W288 VanDerWaalsContact CZ-CH2 3.47Å; F76-W288 AromaticContact CZ-CZ2 3.82Å; F76-W288 HydrophobicContact CZ-CZ2 3.82Å; F76-W288 AromaticContact CZ-CZ3 3.6Å; F76-W288 HydrophobicContact CZ-CZ3 3.6Å
77A92.1Very high86.5Confident31 Ų3145 Ų4526%0.25625%0.253SS..Hα-helixtrans-61.3-43.317900000112.7T73 D74 E75 T79 L81 L241T73-A77 VanDerWaalsContact O-CB 3.26Å; T73-A77 WeakPolarHBondContact O-CB 3.32Å; T73-A77 PolarHBondContact O-N 2.89Å; D74-A77 PolarHBondContact O-N 3.3Å; E75-A77 PolarHBondContact O-N 2.81Å; A77-T79 VanDerWaalsContact C-N 3.31Å; A77-T79 PolarHBondContact O-N 2.79Å; A77-L81 HydrophobicContact CB-CD1 4.07Å; A77-L81 CarbonylContact O-C 3.6Å; A77-L81 WeakPolarHBondContact O-CA 3.17Å; A77-L81 VanDerWaalsContact O-CB 3.26Å; A77-L81 WeakPolarHBondContact O-CB 3.17Å; A77-L81 PolarHBondContact O-N 3.23Å; A77-L241 HydrophobicContact CB-CD1 4.33Å
78R86.6Confident84.2Confident196 Ų19647 Ų4774%0.7427%0.266SS*.Hα-helixtrans-71.1-25.5-179.1-73.1176.4-177.2159.74.7114.1D74 E75 F76D74-R78 WeakPolarHBondContact O-CB 3.07Å; D74-R78 VanDerWaalsContact O-CG 3.28Å; D74-R78 WeakPolarHBondContact O-CG 3.5Å; D74-R78 PolarHBondContact O-N 3.13Å; E75-R78 PolarHBondContact O-N 3.28Å; F76-R78 PolarHBondContact O-N 3.45Å
79T85.3Confident81.7Confident30 Ų3052.6 Ų52.618%0.18431%0.307CS..Hα-helixtrans-105.5-28.6-171.454.40000113.6E75 F76 A77 G124 M125 C126E75-T79 WeakPolarHBondContact O-CB 3.19Å; E75-T79 WeakPolarHBondContact O-CG2 3.22Å; E75-T79 PolarHBondContact O-N 3.07Å; E75-T79 VanDerWaalsContact O-N 3.08Å; E75-T79 PolarHBondContact O-OG1 3.08Å; F76-T79 PolarHBondContact O-N 2.87Å; A77-T79 VanDerWaalsContact C-N 3.31Å; A77-T79 PolarHBondContact O-N 2.79Å; T79-G124 VanDerWaalsContact O-O 3.09Å; T79-M125 HydrophobicContact CG2-CB 4.02Å; T79-M125 HydrophobicContact CG2-CG 4.22Å; T79-M125 CarbonylContact O-C 3.52Å; T79-M125 VanDerWaalsContact O-C 3.31Å; T79-M125 WeakPolarHBondContact O-CA 3.04Å; T79-C126 CarbonylContact O-C 3.52Å; T79-C126 PolarHBondContact O-N 3.32Å
80H92.9Very high79Confident10 Ų1057 Ų575%0.04634%0.338CS..Hα-helixtrans-120.8-11.6-173.6-64.676.3000113.6Y68 F76 Q123 W288Y68-H80 AromaticContact CD1-CE1 3.95Å; Y68-H80 AromaticContact CD1-NE2 3.7Å; Y68-H80 AromaticContact CE1-CD2 3.57Å; Y68-H80 AromaticContact CE1-CE1 3.73Å; Y68-H80 AromaticContact CE1-NE2 3.04Å; Y68-H80 WeakPolarHBondContact CE1-NE2 3.38Å; Y68-H80 AromaticContact CZ-CD2 3.72Å; Y68-H80 AromaticContact CZ-NE2 3.64Å; F76-H80 HydrophobicContact CD2-CB 4.1Å; F76-H80 HydrophobicContact CE2-CB 3.85Å; F76-H80 HydrophobicContact CZ-CB 4.24Å; F76-H80 WeakPolarHBondContact O-CB 3.14Å; F76-H80 PolarHBondContact O-N 3.19Å; H80-Q123 PolarHBondContact O-NE2 2.91Å; H80-Q123 PolarHBondContact O-OE1 3.3Å; H80-W288 PolarHBondContact O-NE1 2.97Å; H80-W288 VanDerWaalsContact O-NE1 3.09Å
81L93Very high76.7Confident3 Ų361.3 Ų61.32%0.01635%0.354CS..SBendtrans-112.8-174.4176.1-49.5-175.9000109.6F76 A77 G127 A240 L241 D264 H265 W288F76-L81 HydrophobicContact CD1-CD1 4.23Å; F76-L81 HydrophobicContact CD1-CG 4.34Å; F76-L81 HydrophobicContact CE1-CD1 4.15Å; F76-L81 HydrophobicContact CE1-CD2 4.02Å; F76-L81 HydrophobicContact CE1-CG 4.11Å; A77-L81 HydrophobicContact CB-CD1 4.07Å; A77-L81 CarbonylContact O-C 3.6Å; A77-L81 WeakPolarHBondContact O-CA 3.17Å; A77-L81 VanDerWaalsContact O-CB 3.26Å; A77-L81 WeakPolarHBondContact O-CB 3.17Å; A77-L81 PolarHBondContact O-N 3.23Å; L81-G127 WeakPolarHBondContact O-CA 3.3Å; L81-A240 HydrophobicContact CD2-CB 3.98Å; L81-L241 HydrophobicContact CD1-CD1 3.89Å; L81-D264 WeakPolarHBondContact CB-O 3.31Å; L81-D264 HydrophobicContact CD1-CB 4.49Å; L81-H265 HydrophobicContact CD2-CB 4.06Å; L81-W288 HydrophobicContact CD2-CH2 4.06Å; L81-W288 HydrophobicContact CD2-CZ2 3.5Å
82T84.3Confident74.3Confident14 Ų1465.6 Ų65.69%0.08639%0.386CS..  trans-123163172.9172.70000110.3W85 C129 G169 D264T82-W85 VanDerWaalsContact CG2-NE1 3.28Å; T82-C129 VanDerWaalsContact CG2-SG 3.55Å; T82-G169 WeakPolarHBondContact OG1-CA 3.44Å; T82-D264 WeakPolarHBondContact CG2-O 3.4Å; T82-D264 PolarHBondContact N-O 2.85Å
83A73.2Confident72.6Confident70 Ų7068.9 Ų68.958%0.57940%0.402SS*.SBendtrans-51.8143.1166.800000110.5W85A83-W85 PolarHBondContact O-N 3.22Å
84S67.2Low71.5Confident70 Ų7073.5 Ų73.549%0.4943%0.43SS..PPolyproline II helixtrans-58.3133.5-174.2-620000111.8V86 L263S84-V86 PolarHBondContact O-N 2.88Å; S84-L263 CarbonylContact C-O 3.31Å; S84-L263 WeakPolarHBondContact CA-O 3.16Å
85W73.1Confident70.9Confident21 Ų2171.9 Ų71.98%0.0843%0.425CS..PPolyproline II helixtrans-68.2116.7-176.4-63-0.4000110.2T82 A83 V87 L171 P172 L263 A266 V312T82-W85 VanDerWaalsContact CG2-NE1 3.28Å; A83-W85 PolarHBondContact O-N 3.22Å; W85-V87 VanDerWaalsContact C-N 3.32Å; W85-V87 HydrophobicContact CB-CG2 4.48Å; W85-V87 PolarHBondContact O-N 2.69Å; W85-V87 VanDerWaalsContact O-N 3.15Å; W85-L171 HydrophobicContact CB-CD2 3.98Å; W85-L171 HydrophobicContact CD2-CD2 3.39Å; W85-L171 HydrophobicContact CE3-CD2 3.81Å; W85-L171 HydrophobicContact CG-CD2 3.45Å; W85-L171 VanDerWaalsContact CG-CD2 3.45Å; W85-L171 HydrophobicContact CZ2-CD2 4.39Å; W85-L171 HydrophobicContact CZ3-CD2 4.43Å; W85-P172 HydrophobicContact CH2-CG 4.26Å; W85-L263 HydrophobicContact CB-CB 4.3Å; W85-L263 HydrophobicContact CD2-CB 4.27Å; W85-L263 HydrophobicContact CE3-CB 4.29Å; W85-L263 HydrophobicContact CE3-CD1 4.01Å; W85-L263 HydrophobicContact CG-CB 4.3Å; W85-L263 PolarHBondContact N-O 2.91Å; W85-A266 HydrophobicContact CH2-CB 3.79Å; W85-A266 HydrophobicContact CZ2-CB 3.49Å; W85-A266 VanDerWaalsContact CZ2-CB 3.49Å; W85-V312 HydrophobicContact CE3-CB 4.08Å; W85-V312 HydrophobicContact CE3-CG1 4.07Å; W85-V312 HydrophobicContact CE3-CG2 4.13Å; W85-V312 HydrophobicContact CZ3-CB 3.82Å; W85-V312 HydrophobicContact CZ3-CG1 3.67Å; W85-V312 HydrophobicContact CZ3-CG2 4.39Å
86V55.3Low70.3Confident126 Ų12671.4 Ų71.476%0.76443%0.426SS*.  trans-78.992.4158.6-175.60000105.8S84 P88S84-V86 PolarHBondContact O-N 2.88Å; V86-P88 WeakPolarHBondContact O-CD 3.1Å
87V55.3Low69.7Low72 Ų7274.4 Ų74.444%0.43645%0.447SS..  trans-60.1110.6174.1-173.20000107.1W85 S89 L263 V312W85-V87 VanDerWaalsContact C-N 3.32Å; W85-V87 HydrophobicContact CB-CG2 4.48Å; W85-V87 PolarHBondContact O-N 2.69Å; W85-V87 VanDerWaalsContact O-N 3.15Å; V87-S89 PolarHBondContact O-N 2.04Å; V87-S89 VanDerWaalsContact O-N 3.07Å; V87-L263 HydrophobicContact CG2-CD1 4.35Å; V87-V312 HydrophobicContact CB-CG2 4.34Å; V87-V312 HydrophobicContact CG1-CG2 3.9Å; V87-V312 HydrophobicContact CG2-CG2 3.45Å; V87-V312 VanDerWaalsContact CG2-CG2 3.45Å
88P48Very low69.2Low58 Ų5874.1 Ų74.138%0.37744%0.441SS..  trans-65.4119.1-177-16.530.6000107.6V86 S90V86-P88 WeakPolarHBondContact O-CD 3.1Å; P88-S90 PolarHBondContact O-N 3.49Å
89S45.8Very low68.8Low132 Ų13266.9 Ų66.992%0.92343%0.428SS*.THydrogen-bonded Turntrans-62.1-6.2175.4520000113.3V87V87-S89 PolarHBondContact O-N 2.04Å; V87-S89 VanDerWaalsContact O-N 3.07Å
90S40.2Very low67.7Low94 Ų9474.7 Ų74.766%0.65746%0.459SS*.THydrogen-bonded Turntrans-1161.3-163.6630000116.2P88 S92P88-S90 PolarHBondContact O-N 3.49Å; S90-S92 PolarHBondContact O-N 3.1Å
91R51Low66.8Low94 Ų9479.2 Ų79.236%0.35548%0.48SS..  trans-76.584.2166.6-81.6-171.5171.3164.6-0.5108.7N93 S173 N174 E177R91-N93 PolarHBondContact O-N 2.89Å; R91-S173 PolarHBondContact NH1-OG 3.27Å; R91-N174 PolarHBondContact NH1-OD1 3.36Å; R91-N174 PolarHBondContact NH2-OD1 2.97Å; R91-E177 IonicContact CZ-OE2 2.69Å; R91-E177 IonicContact NH2-OE2 2.94Å; R91-E177 PolarHBondContact NH2-OE2 3.47Å
92S45.7Very low66Low114 Ų11480.3 Ų80.380%0.79749%0.487SS*.  trans-55.631.4-177.8-179.70000116.3S90S90-S92 PolarHBondContact O-N 3.1Å
93N59.7Low65.5Low117 Ų11784.9 Ų84.963%0.62651%0.511SS*.  trans-96.3114.5172.3-72.2-12.8000108.4R91 P95R91-N93 PolarHBondContact O-N 2.89Å; N93-P95 WeakPolarHBondContact O-CD 3.42Å
94T72.1Confident65.9Low128 Ų12889.1 Ų89.179%0.78552%0.524SS*.  trans-47.6123168.5-54.90000108.4T96T94-T96 PolarHBondContact O-N 2.64Å
95P79.6Confident67.2Low68 Ų6887.8 Ų87.844%0.44251%0.511SS..  trans-51.7135178.1-29.536.4000111N93 S97 N216 T218N93-P95 WeakPolarHBondContact O-CD 3.42Å; P95-S97 PolarHBondContact O-N 3.29Å; P95-N216 WeakPolarHBondContact CA-O 3.43Å; P95-T218 HydrophobicContact CB-CG2 3.87Å
96T82.4Confident68.3Low51 Ų5189.3 Ų89.331%0.31352%0.524SS..BIsolated β-bridgetrans-69.5115.6178.4-60.30000108.5T94 N216 W227T94-T96 PolarHBondContact O-N 2.64Å; T96-N216 PolarHBondContact N-O 3Å; T96-W227 HydrophobicContact CG2-CZ3 3.91Å
97S82.4Confident70.2Confident63 Ų6390.9 Ų90.944%0.44152%0.52SS..  trans-101.1138.7172.2168.70000110P95 G99 E223P95-S97 PolarHBondContact O-N 3.29Å; S97-G99 VanDerWaalsContact C-N 3.27Å; S97-G99 PolarHBondContact OG-N 3.36Å; S97-G99 VanDerWaalsContact OG-N 3.12Å; S97-E223 VanDerWaalsContact CA-OE2 3.25Å; S97-E223 WeakPolarHBondContact CA-OE2 3.5Å; S97-E223 WeakPolarHBondContact CB-OE2 3.25Å; S97-E223 VanDerWaalsContact OG-CD 3.3Å; S97-E223 PolarHBondContact OG-OE1 3.21Å; S97-E223 PolarHBondContact OG-OE2 2.94Å
98L80.6Confident72.2Confident25 Ų2592 Ų9213%0.13152%0.523CS..  trans-81.7-7.3174.6-69176.8000112.9K100 E101 V102 A226 W227L98-K100 PolarHBondContact O-N 3.46Å; L98-E101 HydrophobicContact CB-CB 4.3Å; L98-E101 PolarHBondContact O-N 2.81Å; L98-E101 VanDerWaalsContact O-N 3.13Å; L98-V102 HydrophobicContact CB-CG2 4.33Å; L98-A226 HydrophobicContact CD1-CB 3.8Å; L98-W227 HydrophobicContact CD1-CB 3.86Å; L98-W227 HydrophobicContact CD1-CE3 4.16Å; L98-W227 VanDerWaalsContact CD1-N 3.25Å; L98-W227 HydrophobicContact CD2-CE3 3.89Å; L98-W227 HydrophobicContact CD2-CZ3 4.16Å; L98-W227 HydrophobicContact CG-CE3 4.11Å
99G77.6Confident74.6Confident45 Ų4590.3 Ų90.346%0.46451%0.51SS..G310 helixtrans53.6-106.2175.300000113.3S97 V102S97-G99 VanDerWaalsContact C-N 3.27Å; S97-G99 PolarHBondContact OG-N 3.36Å; S97-G99 VanDerWaalsContact OG-N 3.12Å; G99-V102 VanDerWaalsContact O-CG2 3.23Å; G99-V102 WeakPolarHBondContact O-CG2 3.31Å
100K63.8Low77.1Confident194 Ų19484.5 Ų84.584%0.84347%0.469SS*.G310 helixtrans-78.3-20.5-175-69.3-175.5179.4178.80114.3L98 V102 N103L98-K100 PolarHBondContact O-N 3.46Å; K100-V102 PolarHBondContact O-N 3.22Å; K100-N103 PolarHBondContact O-N 3.08Å; K100-N103 PolarHBondContact O-ND2 2.89Å
101E72.1Confident79.9Confident104 Ų10481.2 Ų81.249%0.48644%0.442SS..G310 helixtrans-72.9-3.9-179.1-61.8-174.2172.800113.2L98 N103 H230L98-E101 HydrophobicContact CB-CB 4.3Å; L98-E101 PolarHBondContact O-N 2.81Å; L98-E101 VanDerWaalsContact O-N 3.13Å; E101-N103 PolarHBondContact O-N 2.95Å; E101-H230 PolarHBondContact O-NE2 2.9Å
102V76.3Confident82.2Confident26 Ų2681.2 Ų81.216%0.15844%0.442CS..G310 helixtrans-66.2-22.2175.7-173.80000111.8L98 G99 K100 T222 E223 A226L98-V102 HydrophobicContact CB-CG2 4.33Å; G99-V102 VanDerWaalsContact O-CG2 3.23Å; G99-V102 WeakPolarHBondContact O-CG2 3.31Å; K100-V102 PolarHBondContact O-N 3.22Å; V102-T222 HydrophobicContact CG1-CG2 3.38Å; V102-E223 HydrophobicContact CG2-CB 4.5Å; V102-E223 HydrophobicContact CG2-CG 3.75Å; V102-A226 HydrophobicContact CG2-CB 4.5Å
103N74.9Confident84.7Confident111 Ų11183 Ų8359%0.59444%0.438SS*.THydrogen-bonded Turntrans-85.5143179.8-59.2-58.9000111.3K100 E101K100-N103 PolarHBondContact O-N 3.08Å; K100-N103 PolarHBondContact O-ND2 2.89Å; E101-N103 PolarHBondContact O-N 2.95Å
104N82.2Confident86.5Confident159 Ų15982.7 Ų82.785%0.8543%0.431SS*.THydrogen-bonded Turntrans7533.7174.1-52.5-35.6000117.3
105I93.3Very high87.6Confident42 Ų4278.4 Ų78.422%0.21541%0.412CS..  trans-87147.1166.670.9-179.6000111A225 A226 Y229 Y272I105-A225 HydrophobicContact CD1-CB 3.69Å; I105-A226 HydrophobicContact CD1-CB 4.31Å; I105-A226 HydrophobicContact CG2-CB 4.2Å; I105-Y229 HydrophobicContact CB-CD1 4.01Å; I105-Y229 HydrophobicContact CB-CG 4.16Å; I105-Y229 HydrophobicContact CG2-CD1 3.53Å; I105-Y229 HydrophobicContact CG2-CE1 4.31Å; I105-Y229 HydrophobicContact CG2-CG 4.03Å; I105-Y272 HydrophobicContact CD1-CE2 4.45Å
106P95.9Very high88.5Confident52 Ų5275.1 Ų75.134%0.33839%0.391SS..  trans-63156.5176.528.4-35.8000110.7N108 F109 Y229 Y272P106-N108 VanDerWaalsContact C-N 3.26Å; P106-N108 PolarHBondContact O-N 3.37Å; P106-F109 HydrophobicContact CG-CB 4.37Å; P106-Y229 VanDerWaalsContact CD-CE2 3.42Å; P106-Y229 HydrophobicContact CG-CD2 3.83Å; P106-Y229 HydrophobicContact CG-CE2 3.7Å; P106-Y272 WeakPolarHBondContact O-CE2 3.35Å; P106-Y272 PolarHBondContact O-OH 3.05Å
107K95.6Very high89.3Confident160 Ų16073.6 Ų73.670%0.69638%0.382SS*.SBendtrans-64.3-29.9178-70.5-173.3178.2-176.50113.6
108N98Very high90.1Very high94 Ų9470.9 Ų70.950%0.50336%0.362SS..  trans-127.8138.7179.3-54.5-66000108.7P106 Y272 G273 V274P106-N108 VanDerWaalsContact C-N 3.26Å; P106-N108 PolarHBondContact O-N 3.37Å; N108-Y272 WeakPolarHBondContact CA-O 3.35Å; N108-G273 WeakPolarHBondContact OD1-CA 3.45Å; N108-V274 PolarHBondContact OD1-N 3.45Å
109F98.3Very high90.9Very high23 Ų2375.2 Ų75.210%0.10138%0.382CS..EExtended strand (participates in β ladder)trans-153.6138.4175.2-177.6-97.5000110P106 W111 L228 Y229 G271 Y272P106-F109 HydrophobicContact CG-CB 4.37Å; F109-W111 AromaticContact CE1-CD1 3.68Å; F109-W111 AromaticContact CE1-CD2 3.86Å; F109-W111 HydrophobicContact CE1-CD2 3.86Å; F109-W111 AromaticContact CE1-CE2 3.55Å; F109-W111 AromaticContact CE1-CG 3.92Å; F109-W111 HydrophobicContact CE1-CG 3.92Å; F109-W111 HydrophobicContact CE1-CZ2 4.04Å; F109-W111 AromaticContact CE1-NE1 3.46Å; F109-W111 AromaticContact CZ-CD2 3.96Å; F109-W111 HydrophobicContact CZ-CD2 3.96Å; F109-W111 AromaticContact CZ-CE2 3.71Å; F109-W111 HydrophobicContact CZ-CE3 4.3Å; F109-W111 HydrophobicContact CZ-CG 4.45Å; F109-W111 HydrophobicContact CZ-CH2 4.18Å; F109-W111 AromaticContact CZ-CZ2 3.79Å; F109-W111 HydrophobicContact CZ-CZ2 3.79Å; F109-W111 HydrophobicContact CZ-CZ3 4.43Å; F109-L228 WeakPolarHBondContact CE1-O 3.2Å; F109-Y229 AromaticContact CD2-CD2 3.5Å; F109-Y229 HydrophobicContact CD2-CD2 3.5Å; F109-Y229 HydrophobicContact CD2-CE2 4.05Å; F109-Y229 AromaticContact CE2-CD2 3.66Å; F109-Y229 HydrophobicContact CE2-CD2 3.66Å; F109-Y229 HydrophobicContact CE2-CE2 4.12Å; F109-Y229 HydrophobicContact CG-CD2 4.05Å; F109-Y229 HydrophobicContact CZ-CD2 4.35Å; F109-G271 CarbonylContact O-C 3.57Å; F109-G271 WeakPolarHBondContact O-CA 3.18Å; F109-Y272 HydrophobicContact CB-CD1 4.24Å; F109-Y272 HydrophobicContact CB-CE1 3.62Å; F109-Y272 HydrophobicContact CB-CE2 4.19Å; F109-Y272 HydrophobicContact CD1-CE1 4.3Å; F109-Y272 HydrophobicContact CG-CE1 4.32Å; F109-Y272 PolarHBondContact N-O 2.8Å; F109-Y272 PolarHBondContact O-N 3.01Å; F109-Y272 VanDerWaalsContact O-O 3.11Å
110D98.7Very high91.9Very high10 Ų1073.9 Ų73.95%0.05337%0.365CS..EExtended strand (participates in β ladder)trans-145.6115.4-176.5-170.2-15.3000111R112 E113 I283D110-R112 VanDerWaalsContact CG-NE 3.34Å; D110-R112 PolarHBondContact O-N 3.21Å; D110-R112 WeakPolarHBondContact OD1-CB 3.48Å; D110-R112 WeakPolarHBondContact OD1-CG 3.38Å; D110-R112 PolarHBondContact OD1-N 3.46Å; D110-R112 IonicContact OD1-NE 2.82Å; D110-R112 PolarHBondContact OD1-NE 2.66Å; D110-R112 IonicContact OD2-CZ 2.73Å; D110-R112 IonicContact OD2-NE 2.75Å; D110-R112 PolarHBondContact OD2-NE 2.84Å; D110-R112 IonicContact OD2-NH2 2.9Å; D110-R112 PolarHBondContact OD2-NH2 3.03Å; D110-E113 HydrophobicContact CB-CG 4Å; D110-E113 PolarHBondContact O-N 2.84Å; D110-I283 HydrophobicContact CB-CD1 4.02Å
111W98.6Very high93.6Very high26 Ų2666 Ų6610%0.09833%0.33CS..G310 helixtrans-65.4-21.4177.5-84.7117.2000113.5F109 E113 K114 G115 A116 V117 L228 N231 S232 T233 V270F109-W111 AromaticContact CE1-CD1 3.68Å; F109-W111 AromaticContact CE1-CD2 3.86Å; F109-W111 HydrophobicContact CE1-CD2 3.86Å; F109-W111 AromaticContact CE1-CE2 3.55Å; F109-W111 AromaticContact CE1-CG 3.92Å; F109-W111 HydrophobicContact CE1-CG 3.92Å; F109-W111 HydrophobicContact CE1-CZ2 4.04Å; F109-W111 AromaticContact CE1-NE1 3.46Å; F109-W111 AromaticContact CZ-CD2 3.96Å; F109-W111 HydrophobicContact CZ-CD2 3.96Å; F109-W111 AromaticContact CZ-CE2 3.71Å; F109-W111 HydrophobicContact CZ-CE3 4.3Å; F109-W111 HydrophobicContact CZ-CG 4.45Å; F109-W111 HydrophobicContact CZ-CH2 4.18Å; F109-W111 AromaticContact CZ-CZ2 3.79Å; F109-W111 HydrophobicContact CZ-CZ2 3.79Å; F109-W111 HydrophobicContact CZ-CZ3 4.43Å; W111-E113 VanDerWaalsContact C-N 3.31Å; W111-K114 HydrophobicContact CE3-CB 3.77Å; W111-K114 HydrophobicContact CE3-CG 3.93Å; W111-K114 HydrophobicContact CZ3-CB 4.07Å; W111-K114 HydrophobicContact CZ3-CG 4.18Å; W111-K114 PolarHBondContact O-N 3.32Å; W111-K114 VanDerWaalsContact O-N 3.13Å; W111-G115 PolarHBondContact O-N 3.39Å; W111-A116 HydrophobicContact CB-CB 4.22Å; W111-A116 HydrophobicContact CD2-CB 4.05Å; W111-A116 HydrophobicContact CE3-CB 3.35Å; W111-A116 HydrophobicContact CG-CB 4.44Å; W111-A116 HydrophobicContact CZ3-CB 4.05Å; W111-A116 PolarHBondContact O-N 3.38Å; W111-A116 VanDerWaalsContact O-N 3.13Å; W111-V117 HydrophobicContact CB-CG2 3.61Å; W111-L228 VanDerWaalsContact CE2-O 3.29Å; W111-L228 WeakPolarHBondContact CZ2-O 3.34Å; W111-L228 PolarHBondContact NE1-O 3.18Å; W111-N231 WeakPolarHBondContact CZ2-O 3.49Å; W111-S232 VanDerWaalsContact NE1-C 3.34Å; W111-T233 HydrophobicContact CB-CG2 4.08Å; W111-T233 HydrophobicContact CG-CG2 3.98Å; W111-V270 VanDerWaalsContact CB-O 3.31Å; W111-V270 WeakPolarHBondContact CB-O 3.25Å; W111-V270 PolarHBondContact N-O 2.91Å
112R98.4Very high94.8Very high93 Ų9364.8 Ų64.835%0.35133%0.327SS..G310 helixtrans-63.7-41.4175.2-56.9175.4-61.4172.94.8110.6D110 K114 G115 V117 V270 Y297D110-R112 VanDerWaalsContact CG-NE 3.34Å; D110-R112 PolarHBondContact O-N 3.21Å; D110-R112 WeakPolarHBondContact OD1-CB 3.48Å; D110-R112 WeakPolarHBondContact OD1-CG 3.38Å; D110-R112 PolarHBondContact OD1-N 3.46Å; D110-R112 IonicContact OD1-NE 2.82Å; D110-R112 PolarHBondContact OD1-NE 2.66Å; D110-R112 IonicContact OD2-CZ 2.73Å; D110-R112 IonicContact OD2-NE 2.75Å; D110-R112 PolarHBondContact OD2-NE 2.84Å; D110-R112 IonicContact OD2-NH2 2.9Å; D110-R112 PolarHBondContact OD2-NH2 3.03Å; R112-K114 PolarHBondContact O-N 3.45Å; R112-G115 PolarHBondContact O-N 2.93Å; R112-G115 VanDerWaalsContact O-N 3.09Å; R112-V117 HydrophobicContact CG-CB 4.08Å; R112-V117 HydrophobicContact CG-CG1 4.33Å; R112-V117 HydrophobicContact CG-CG2 4.07Å; R112-V270 HydrophobicContact CG-CG2 4.28Å; R112-Y297 VanDerWaalsContact CD-CE1 3.42Å; R112-Y297 VanDerWaalsContact CD-CZ 3.41Å; R112-Y297 HydrophobicContact CG-CE1 4.28Å
113E98Very high95.8Very high152 Ų15263.5 Ų63.571%0.7132%0.32SS*.G310 helixtrans-67.3-15177-61.6-178.4176.200113D110 W111D110-E113 HydrophobicContact CB-CG 4Å; D110-E113 PolarHBondContact O-N 2.84Å; W111-E113 VanDerWaalsContact C-N 3.31Å
114K97.1Very high96.7Very high110 Ų11059.3 Ų59.348%0.47830%0.302SS..G310 helixtrans-96.2-2.3176.5-51.5-53.3177.7-164.70113.2W111 R112 A116 F143W111-K114 HydrophobicContact CE3-CB 3.77Å; W111-K114 HydrophobicContact CE3-CG 3.93Å; W111-K114 HydrophobicContact CZ3-CB 4.07Å; W111-K114 HydrophobicContact CZ3-CG 4.18Å; W111-K114 PolarHBondContact O-N 3.32Å; W111-K114 VanDerWaalsContact O-N 3.13Å; R112-K114 PolarHBondContact O-N 3.45Å; K114-A116 VanDerWaalsContact C-N 3.29Å; K114-F143 WeakPolarHBondContact O-CE1 3.44Å; K114-F143 VanDerWaalsContact O-CZ 3.22Å; K114-F143 WeakPolarHBondContact O-CZ 3.46Å
115G97.1Very high97.2Very high38 Ų3859 Ų5939%0.39230%0.298SS..THydrogen-bonded Turntrans70.523.6-175.100000113.6W111 R112 F143 L149W111-G115 PolarHBondContact O-N 3.39Å; R112-G115 PolarHBondContact O-N 2.93Å; R112-G115 VanDerWaalsContact O-N 3.09Å; G115-F143 WeakPolarHBondContact O-CD2 3.37Å; G115-F143 VanDerWaalsContact O-CE2 3.28Å; G115-F143 WeakPolarHBondContact O-CE2 3.29Å; G115-L149 WeakPolarHBondContact O-CD2 3.49Å
116A98Very high97.2Very high0 Ų057 Ų570%029%0.288CS..  trans-98.75.9-176.700000114W111 K114 S140 F143W111-A116 HydrophobicContact CB-CB 4.22Å; W111-A116 HydrophobicContact CD2-CB 4.05Å; W111-A116 HydrophobicContact CE3-CB 3.35Å; W111-A116 HydrophobicContact CG-CB 4.44Å; W111-A116 HydrophobicContact CZ3-CB 4.05Å; W111-A116 PolarHBondContact O-N 3.38Å; W111-A116 VanDerWaalsContact O-N 3.13Å; K114-A116 VanDerWaalsContact C-N 3.29Å; A116-S140 WeakPolarHBondContact O-CA 3.41Å; A116-S140 WeakPolarHBondContact O-CB 3.47Å; A116-S140 PolarHBondContact O-OG 3.34Å; A116-S140 VanDerWaalsContact O-OG 3.07Å; A116-F143 HydrophobicContact CB-CB 4.45Å; A116-F143 HydrophobicContact CB-CD1 3.26Å; A116-F143 HydrophobicContact CB-CE1 3.64Å; A116-F143 HydrophobicContact CB-CG 3.98Å
117V98.7Very high97.1Very high19 Ų1954.6 Ų54.612%0.11527%0.272CS..SBendtrans-129.4123.2-175.1-1750000108.5W111 R112 T233 V270 K285W111-V117 HydrophobicContact CB-CG2 3.61Å; R112-V117 HydrophobicContact CG-CB 4.08Å; R112-V117 HydrophobicContact CG-CG1 4.33Å; R112-V117 HydrophobicContact CG-CG2 4.07Å; V117-T233 HydrophobicContact CG2-CG2 4.24Å; V117-V270 HydrophobicContact CG1-CG1 4.05Å; V117-V270 HydrophobicContact CG2-CB 4.1Å; V117-V270 HydrophobicContact CG2-CG1 3.96Å; V117-K285 HydrophobicContact CG1-CD 3.77Å
118T98.6Very high97.1Very high5 Ų547 Ų473%0.03124%0.239CC..PPolyproline II helixtrans-65.5167.6173.952.70000111.8E139 L149 L150 K285T118-E139 WeakPolarHBondContact CB-OE2 3.45Å; T118-E139 HydrophobicContact CG2-CB 4.34Å; T118-E139 VanDerWaalsContact CG2-CD 3.5Å; T118-E139 HydrophobicContact CG2-CG 4.26Å; T118-E139 WeakPolarHBondContact CG2-OE2 3.22Å; T118-E139 PolarHBondContact OG1-OE2 3.4Å; T118-L149 HydrophobicContact CG2-CD1 3.94Å; T118-L149 HydrophobicContact CG2-CD2 4.07Å; T118-L149 HydrophobicContact CG2-CG 3.86Å; T118-L150 WeakPolarHBondContact CG2-O 3.3Å; T118-K285 PolarHBondContact O-NZ 3.46Å; T118-K285 PolarHBondContact OG1-NZ 3.03Å
119E98.4Very high97.1Very high116 Ų11642.5 Ų42.554%0.54222%0.215SC..PPolyproline II helixtrans-52.8154.7171.964.8-72.1160.500113.1K121 S151 K285E119-K121 PolarHBondContact O-N 2.78Å; E119-S151 PolarHBondContact OE1-OG 3.43Å; E119-K285 VanDerWaalsContact O-CE 3.22Å; E119-K285 WeakPolarHBondContact O-CE 3.35Å; E119-K285 PolarHBondContact O-NZ 2.84Å
120V98.8Very high97Very high18 Ų1841.4 Ų41.411%0.10921%0.211CC..PPolyproline II helixtrans-70.2123.7171.8173.20000109.3K285 V290 Y297V120-K285 HydrophobicContact CG2-CG 4.15Å; V120-V290 HydrophobicContact CB-CG1 4Å; V120-V290 HydrophobicContact CG1-CG1 4.48Å; V120-Y297 HydrophobicContact CG2-CD2 4.06Å; V120-Y297 HydrophobicContact CG2-CE2 3.5Å; V120-Y297 VanDerWaalsContact CG2-CE2 3.5Å
121K98.4Very high96.9Very high27 Ų2741 Ų4112%0.11721%0.208CC..  trans-94.3179.3174-60.2-174.3179.7-179.80111.6E119 F132 S151 L152 E154 E188 S287 G289E119-K121 PolarHBondContact O-N 2.78Å; K121-F132 HydrophobicContact CB-CD1 3.93Å; K121-F132 HydrophobicContact CB-CE1 3.49Å; K121-F132 VanDerWaalsContact CB-CE1 3.49Å; K121-F132 HydrophobicContact CD-CD1 4.18Å; K121-F132 HydrophobicContact CD-CE1 3.75Å; K121-F132 HydrophobicContact CG-CE1 4.28Å; K121-S151 WeakPolarHBondContact CE-OG 3.17Å; K121-S151 PolarHBondContact NZ-OG 2.89Å; K121-L152 PolarHBondContact NZ-O 3.41Å; K121-E154 WeakPolarHBondContact CD-OE1 3.27Å; K121-E154 WeakPolarHBondContact CD-OE2 3.48Å; K121-E154 IonicContact NZ-OE1 3.2Å; K121-E154 PolarHBondContact NZ-OE1 2.83Å; K121-E154 IonicContact NZ-OE2 2.74Å; K121-E154 PolarHBondContact NZ-OE2 3.18Å; K121-E188 IonicContact NZ-OE2 3.54Å; K121-E188 PolarHBondContact NZ-OE2 3.14Å; K121-S287 CarbonylContact O-C 3.59Å; K121-G289 WeakPolarHBondContact O-CA 3.32Å; K121-G289 PolarHBondContact O-N 2.94Å
122N97.5Very high96.9Very high79 Ų7940.6 Ų40.642%0.42221%0.207SC..BIsolated β-bridgetrans-133.6116.3178.1-169.7-13.7000110.7G124 S287N122-G124 PolarHBondContact O-N 3.24Å; N122-G124 PolarHBondContact OD1-N 2.99Å; N122-S287 CarbonylContact C-O 3.58Å; N122-S287 WeakPolarHBondContact CA-O 3.45Å
123Q96.8Very high96.9Very high0 Ų036.3 Ų36.30%019%0.191CC..  trans-70.1-12.6177.775.8-17379.900113.3H80 C126 F132 Y193 S287H80-Q123 PolarHBondContact O-NE2 2.91Å; H80-Q123 PolarHBondContact O-OE1 3.3Å; Q123-C126 PolarHBondContact NE2-O 2.82Å; Q123-F132 VanDerWaalsContact CA-CE2 3.42Å; Q123-F132 HydrophobicContact CB-CD2 3.65Å; Q123-F132 HydrophobicContact CB-CE2 3.28Å; Q123-F132 HydrophobicContact CB-CZ 4.02Å; Q123-Y193 WeakPolarHBondContact O-CE1 3.37Å; Q123-Y193 PolarHBondContact O-OH 3.39Å; Q123-S287 PolarHBondContact N-O 3.1Å; Q123-S287 PolarHBondContact OE1-OG 3.5Å
124G94.1Very high97Very high22 Ų2229 Ų2923%0.22716%0.158CC..  trans60.3-139.6-177.200000112T79 N122 C126T79-G124 VanDerWaalsContact O-O 3.09Å; N122-G124 PolarHBondContact O-N 3.24Å; N122-G124 PolarHBondContact OD1-N 2.99Å; G124-C126 VanDerWaalsContact C-N 3.31Å; G124-C126 PolarHBondContact O-N 3.47Å
125M92.4Very high97Very high152 Ų15223.8 Ų23.875%0.74914%0.135SC*.SBendtrans-96.448.2-177.4-61.7-174.8-64.300112.2T79T79-M125 HydrophobicContact CG2-CB 4.02Å; T79-M125 HydrophobicContact CG2-CG 4.22Å; T79-M125 CarbonylContact O-C 3.52Å; T79-M125 VanDerWaalsContact O-C 3.31Å; T79-M125 WeakPolarHBondContact O-CA 3.04Å
126C94Very high97.1Very high1 Ų122.1 Ų22.11%0.00712%0.117CC..SBendtrans-134.8131.5-179173.50000109.1T79 Q123 G124 S128 C167 Y193 A195T79-C126 CarbonylContact O-C 3.52Å; T79-C126 PolarHBondContact O-N 3.32Å; Q123-C126 PolarHBondContact NE2-O 2.82Å; G124-C126 VanDerWaalsContact C-N 3.31Å; G124-C126 PolarHBondContact O-N 3.47Å; C126-S128 PolarHBondContact O-N 3.39Å; C126-S128 VanDerWaalsContact SG-CB 3.52Å; C126-S128 PolarHBondContact SG-OG 3.19Å; C126-C167 HydrophobicContact CB-CB 3.95Å; C126-C167 WeakPolarHBondContact CB-SG 3.37Å; C126-C167 WeakPolarHBondContact SG-CA 3.35Å; C126-C167 WeakPolarHBondContact SG-CB 3.49Å; C126-C167 CovalentContact SG-SG 2.04Å; C126-C167 PolarHBondContact SG-SG 3.05Å; C126-Y193 WeakPolarHBondContact CB-OH 3.22Å; C126-A195 HydrophobicContact CB-CB 4.17Å; C126-A195 WeakPolarHBondContact CB-O 3.42Å
127G93.7Very high97.2Very high2 Ų222.1 Ų22.12%0.02112%0.117CC..  trans-73.134.3178.900000114.5L81 C129 C167L81-G127 WeakPolarHBondContact O-CA 3.3Å; G127-C129 VanDerWaalsContact C-N 3.32Å; G127-C129 PolarHBondContact O-N 3.15Å; G127-C167 WeakPolarHBondContact CA-O 3.49Å; G127-C167 PolarHBondContact N-O 3.2Å
128S96Very high97.2Very high0 Ų021.2 Ų21.20%011%0.112CC..  trans-91.222.6-175.368.20000114.1C126 W130 A131 F132 Y193C126-S128 PolarHBondContact O-N 3.39Å; C126-S128 VanDerWaalsContact SG-CB 3.52Å; C126-S128 PolarHBondContact SG-OG 3.19Å; S128-W130 PolarHBondContact O-N 3.13Å; S128-W130 VanDerWaalsContact O-N 3.1Å; S128-A131 WeakPolarHBondContact O-CA 3.47Å; S128-A131 WeakPolarHBondContact O-CB 3.05Å; S128-A131 PolarHBondContact O-N 2.96Å; S128-F132 WeakPolarHBondContact O-CD2 3.29Å; S128-F132 PolarHBondContact O-N 2.82Å; S128-F132 WeakPolarHBondContact OG-CE2 3.35Å; S128-Y193 PolarHBondContact OG-OH 3.2Å
129C97Very high97.2Very high0 Ų021.1 Ų21.10%011%0.111CC..Hα-helixtrans-51.2-34.4175.860.50000112.8T82 G127 A131 F132 S133 H265 A266T82-C129 VanDerWaalsContact CG2-SG 3.55Å; G127-C129 VanDerWaalsContact C-N 3.32Å; G127-C129 PolarHBondContact O-N 3.15Å; C129-A131 VanDerWaalsContact C-N 3.33Å; C129-A131 PolarHBondContact O-N 2.92Å; C129-F132 PolarHBondContact O-N 3.12Å; C129-S133 WeakPolarHBondContact O-CB 3.42Å; C129-S133 PolarHBondContact O-N 3.35Å; C129-H265 WeakPolarHBondContact CB-CE1 3.3Å; C129-H265 WeakPolarHBondContact CB-ND1 3.47Å; C129-A266 HydrophobicContact CB-CB 4.34Å; C129-A266 PolarHBondContact SG-N 3.42Å; C129-A266 VanDerWaalsContact SG-N 3.4Å
130W96.2Very high97.2Very high0 Ų015.6 Ų15.60%09%0.085CC..Hα-helixtrans-59.4-39.8174.365.3-90.7000112.6S128 T134 L157 D161 D164 G166 G170 A175 A266S128-W130 PolarHBondContact O-N 3.13Å; S128-W130 VanDerWaalsContact O-N 3.1Å; W130-T134 VanDerWaalsContact O-CB 3.3Å; W130-T134 WeakPolarHBondContact O-CB 3.48Å; W130-T134 PolarHBondContact O-N 3.48Å; W130-T134 VanDerWaalsContact O-N 3.07Å; W130-T134 PolarHBondContact O-OG1 3.24Å; W130-L157 HydrophobicContact CH2-CB 3.93Å; W130-L157 WeakPolarHBondContact CH2-O 3.05Å; W130-L157 HydrophobicContact CZ3-CB 3.94Å; W130-D161 HydrophobicContact CH2-CB 3.82Å; W130-D161 HydrophobicContact CZ3-CB 4.26Å; W130-D161 WeakPolarHBondContact CZ3-OD2 3.38Å; W130-D164 HydrophobicContact CE3-CB 4.47Å; W130-D164 HydrophobicContact CH2-CB 3.78Å; W130-D164 HydrophobicContact CZ2-CB 3.86Å; W130-D164 HydrophobicContact CZ3-CB 4.09Å; W130-D164 WeakPolarHBondContact CZ3-OD2 3.45Å; W130-G166 PolarHBondContact NE1-O 3.09Å; W130-G170 WeakPolarHBondContact CB-O 3.42Å; W130-A175 HydrophobicContact CE3-CB 3.76Å; W130-A175 HydrophobicContact CZ3-CB 3.65Å; W130-A266 HydrophobicContact CB-CB 4.37Å
131A97.7Very high97.2Very high0 Ų014.7 Ų14.70%08%0.08CC..Hα-helixtrans-67.6-47.4175.900000110.6S128 C129 S133 T134 T135 E154 L157 V158S128-A131 WeakPolarHBondContact O-CA 3.47Å; S128-A131 WeakPolarHBondContact O-CB 3.05Å; S128-A131 PolarHBondContact O-N 2.96Å; C129-A131 VanDerWaalsContact C-N 3.33Å; C129-A131 PolarHBondContact O-N 2.92Å; A131-S133 PolarHBondContact O-N 2.93Å; A131-T134 WeakPolarHBondContact O-CB 3.24Å; A131-T134 PolarHBondContact O-N 3.06Å; A131-T134 VanDerWaalsContact O-N 3.13Å; A131-T135 PolarHBondContact O-N 2.91Å; A131-T135 PolarHBondContact O-OG1 3.44Å; A131-T135 VanDerWaalsContact O-OG1 3.11Å; A131-E154 HydrophobicContact CB-CB 4.1Å; A131-E154 HydrophobicContact CB-CG 4.37Å; A131-L157 HydrophobicContact CB-CB 3.92Å; A131-L157 HydrophobicContact CB-CD1 4Å; A131-V158 HydrophobicContact CB-CG2 4.35Å
132F98.6Very high97.2Very high18 Ų1815 Ų158%0.0798%0.08CC..Hα-helixtrans-62.3-41178.4-78.4-83.5000113.6K121 Q123 S128 C129 T134 T135 G136 E154 Y193K121-F132 HydrophobicContact CB-CD1 3.93Å; K121-F132 HydrophobicContact CB-CE1 3.49Å; K121-F132 VanDerWaalsContact CB-CE1 3.49Å; K121-F132 HydrophobicContact CD-CD1 4.18Å; K121-F132 HydrophobicContact CD-CE1 3.75Å; K121-F132 HydrophobicContact CG-CE1 4.28Å; Q123-F132 VanDerWaalsContact CA-CE2 3.42Å; Q123-F132 HydrophobicContact CB-CD2 3.65Å; Q123-F132 HydrophobicContact CB-CE2 3.28Å; Q123-F132 HydrophobicContact CB-CZ 4.02Å; S128-F132 WeakPolarHBondContact O-CD2 3.29Å; S128-F132 PolarHBondContact O-N 2.82Å; S128-F132 WeakPolarHBondContact OG-CE2 3.35Å; C129-F132 PolarHBondContact O-N 3.12Å; F132-T134 VanDerWaalsContact C-N 3.32Å; F132-T135 WeakPolarHBondContact CA-OG1 3.46Å; F132-T135 PolarHBondContact O-OG1 2.88Å; F132-G136 PolarHBondContact O-N 3.1Å; F132-G136 VanDerWaalsContact O-N 3.07Å; F132-E154 HydrophobicContact CB-CG 4.32Å; F132-E154 HydrophobicContact CD1-CG 3.57Å; F132-E154 HydrophobicContact CD2-CB 4.47Å; F132-E154 HydrophobicContact CD2-CG 4Å; F132-E154 HydrophobicContact CE1-CB 4.35Å; F132-E154 VanDerWaalsContact CE1-CD 3.48Å; F132-E154 HydrophobicContact CE1-CG 3.67Å; F132-E154 HydrophobicContact CE2-CB 4.21Å; F132-E154 HydrophobicContact CE2-CG 4.09Å; F132-E154 HydrophobicContact CG-CG 3.73Å; F132-E154 HydrophobicContact CZ-CB 4.15Å; F132-E154 HydrophobicContact CZ-CG 3.94Å; F132-Y193 HydrophobicContact CE2-CD2 4.34Å; F132-Y193 AromaticContact CE2-CE1 3.94Å; F132-Y193 HydrophobicContact CE2-CE1 3.94Å; F132-Y193 AromaticContact CE2-CE2 3.69Å; F132-Y193 HydrophobicContact CE2-CE2 3.69Å; F132-Y193 AromaticContact CE2-CZ 3.46Å; F132-Y193 VanDerWaalsContact CE2-CZ 3.46Å; F132-Y193 AromaticContact CZ-CD1 3.88Å; F132-Y193 HydrophobicContact CZ-CD1 3.88Å; F132-Y193 HydrophobicContact CZ-CD2 4.02Å; F132-Y193 AromaticContact CZ-CE1 3.65Å; F132-Y193 HydrophobicContact CZ-CE1 3.65Å; F132-Y193 AromaticContact CZ-CE2 3.81Å; F132-Y193 HydrophobicContact CZ-CE2 3.81Å; F132-Y193 HydrophobicContact CZ-CG 4.06Å; F132-Y193 AromaticContact CZ-CZ 3.62Å
133S98.5Very high97.2Very high3 Ų313.3 Ų13.32%0.0217%0.069CC..Hα-helixtrans-62.1-45.1173.8-1780000110.3C129 A131 N137 S235 V267C129-S133 WeakPolarHBondContact O-CB 3.42Å; C129-S133 PolarHBondContact O-N 3.35Å; A131-S133 PolarHBondContact O-N 2.93Å; S133-N137 PolarHBondContact O-N 2.93Å; S133-N137 VanDerWaalsContact O-N 3.07Å; S133-S235 VanDerWaalsContact C-OG 3.27Å; S133-S235 PolarHBondContact O-OG 2.68Å; S133-S235 VanDerWaalsContact OG-CA 3.3Å; S133-S235 WeakPolarHBondContact OG-CA 3.12Å; S133-S235 WeakPolarHBondContact OG-CB 3.29Å; S133-S235 PolarHBondContact OG-OG 2.94Å; S133-V267 PolarHBondContact OG-O 2.01Å; S133-V267 VanDerWaalsContact OG-O 3.1Å
134T98.5Very high97.2Very high0 Ų017.5 Ų17.50%09%0.085CC..Hα-helixtrans-63.6-53.6-178.9-59.80000111.9W130 A131 F132 G136 N137 V138 L157 P172 A175 Y176 I179W130-T134 VanDerWaalsContact O-CB 3.3Å; W130-T134 WeakPolarHBondContact O-CB 3.48Å; W130-T134 PolarHBondContact O-N 3.48Å; W130-T134 VanDerWaalsContact O-N 3.07Å; W130-T134 PolarHBondContact O-OG1 3.24Å; A131-T134 WeakPolarHBondContact O-CB 3.24Å; A131-T134 PolarHBondContact O-N 3.06Å; A131-T134 VanDerWaalsContact O-N 3.13Å; F132-T134 VanDerWaalsContact C-N 3.32Å; T134-G136 VanDerWaalsContact C-N 3.34Å; T134-G136 PolarHBondContact O-N 2.91Å; T134-N137 WeakPolarHBondContact O-CB 3.42Å; T134-N137 PolarHBondContact O-N 2.86Å; T134-N137 VanDerWaalsContact O-N 3.15Å; T134-V138 WeakPolarHBondContact O-CG2 3.22Å; T134-V138 PolarHBondContact O-N 3.34Å; T134-L157 HydrophobicContact CG2-CD1 3.93Å; T134-P172 VanDerWaalsContact OG1-CA 3.3Å; T134-P172 WeakPolarHBondContact OG1-CA 3.39Å; T134-P172 WeakPolarHBondContact OG1-CB 3.35Å; T134-A175 HydrophobicContact CG2-CB 3.6Å; T134-A175 WeakPolarHBondContact OG1-CB 3.04Å; T134-Y176 HydrophobicContact CG2-CD1 3.65Å; T134-Y176 HydrophobicContact CG2-CE1 3.49Å; T134-Y176 VanDerWaalsContact CG2-CE1 3.49Å; T134-I179 HydrophobicContact CG2-CD1 3.65Å
135T98.8Very high97.3Very high0 Ų021.3 Ų21.30%010%0.095CC..Hα-helixtrans-57.6-49178.551.20000110.1A131 F132 N137 V138 E139 L152 E154 L157 L185A131-T135 PolarHBondContact O-N 2.91Å; A131-T135 PolarHBondContact O-OG1 3.44Å; A131-T135 VanDerWaalsContact O-OG1 3.11Å; F132-T135 WeakPolarHBondContact CA-OG1 3.46Å; F132-T135 PolarHBondContact O-OG1 2.88Å; T135-N137 PolarHBondContact O-N 2.83Å; T135-N137 VanDerWaalsContact O-N 3.17Å; T135-V138 CarbonylContact O-C 3.54Å; T135-V138 PolarHBondContact O-N 2.82Å; T135-E139 WeakPolarHBondContact O-CB 3.27Å; T135-E139 WeakPolarHBondContact O-CG 3.4Å; T135-E139 PolarHBondContact O-N 2.85Å; T135-L152 HydrophobicContact CG2-CB 4.27Å; T135-E154 WeakPolarHBondContact CB-OE1 3.32Å; T135-E154 HydrophobicContact CG2-CB 4.46Å; T135-E154 HydrophobicContact CG2-CG 3.78Å; T135-E154 WeakPolarHBondContact OG1-CG 3.36Å; T135-E154 PolarHBondContact OG1-OE1 3.25Å; T135-L157 HydrophobicContact CG2-CD1 3.91Å; T135-L185 HydrophobicContact CG2-CD1 4.22Å
136G98.8Very high97.5Very high2 Ų216.8 Ų16.82%0.0218%0.076CC..Hα-helixtrans-55.7-36.3177.500000114.2F132 T134 S140F132-G136 PolarHBondContact O-N 3.1Å; F132-G136 VanDerWaalsContact O-N 3.07Å; T134-G136 VanDerWaalsContact C-N 3.34Å; T134-G136 PolarHBondContact O-N 2.91Å; G136-S140 PolarHBondContact O-N 3.02Å; G136-S140 PolarHBondContact O-OG 2.99Å
137N98.8Very high97.7Very high0 Ų019.3 Ų19.30%010%0.102CC..Hα-helixtrans-68.8-46.5172.8178.5-94000112.3S133 T134 T135 E139 S140 Q141 Y176 T233 S235 L268 S315 A316S133-N137 PolarHBondContact O-N 2.93Å; S133-N137 VanDerWaalsContact O-N 3.07Å; T134-N137 WeakPolarHBondContact O-CB 3.42Å; T134-N137 PolarHBondContact O-N 2.86Å; T134-N137 VanDerWaalsContact O-N 3.15Å; T135-N137 PolarHBondContact O-N 2.83Å; T135-N137 VanDerWaalsContact O-N 3.17Å; N137-E139 VanDerWaalsContact C-N 3.35Å; N137-E139 PolarHBondContact O-N 2.79Å; N137-S140 PolarHBondContact O-N 3.3Å; N137-Q141 WeakPolarHBondContact O-CG 3.05Å; N137-Q141 PolarHBondContact O-N 3.39Å; N137-Y176 WeakPolarHBondContact CB-OH 3.36Å; N137-Y176 VanDerWaalsContact CG-OH 3.24Å; N137-Y176 PolarHBondContact OD1-OH 2.92Å; N137-T233 PolarHBondContact ND2-O 3.34Å; N137-S235 WeakPolarHBondContact CB-OG 3.5Å; N137-L268 HydrophobicContact CB-CD1 3.8Å; N137-S315 PolarHBondContact ND2-OG 3.21Å; N137-A316 WeakPolarHBondContact OD1-CB 3.29Å; N137-A316 PolarHBondContact OD1-N 3.24Å
138V98.9Very high97.9Very high0 Ų025.8 Ų25.80%013%0.13CC..Hα-helixtrans-63.8-40.8179.3178.30000111.3T134 T135 S140 Q141 W142 L152 Y176 I179 L185 V209 I211 A316T134-V138 WeakPolarHBondContact O-CG2 3.22Å; T134-V138 PolarHBondContact O-N 3.34Å; T135-V138 CarbonylContact O-C 3.54Å; T135-V138 PolarHBondContact O-N 2.82Å; V138-S140 VanDerWaalsContact C-N 3.32Å; V138-S140 PolarHBondContact O-N 3.29Å; V138-Q141 PolarHBondContact O-N 2.88Å; V138-W142 VanDerWaalsContact O-CB 3.29Å; V138-W142 WeakPolarHBondContact O-CB 3.47Å; V138-W142 PolarHBondContact O-N 3.11Å; V138-L152 HydrophobicContact CB-CD1 3.93Å; V138-L152 HydrophobicContact CG1-CD1 3.61Å; V138-Y176 HydrophobicContact CG2-CD1 4.28Å; V138-Y176 HydrophobicContact CG2-CE1 4.02Å; V138-I179 HydrophobicContact CG2-CD1 4.09Å; V138-L185 HydrophobicContact CB-CD1 4.49Å; V138-L185 HydrophobicContact CG1-CD1 4.35Å; V138-V209 HydrophobicContact CG1-CG2 3.98Å; V138-I211 HydrophobicContact CB-CG2 4.42Å; V138-I211 HydrophobicContact CG1-CG2 3.7Å; V138-I211 HydrophobicContact CG2-CG2 3.89Å; V138-A316 HydrophobicContact CG2-CB 4.03Å
139E98.9Very high98Very high3 Ų328.7 Ų28.71%0.01415%0.145CC..Hα-helixtrans-55.9-47.6173.8-69172.516600111.3T118 T135 N137 W142 F143 L149 L150 S151 L152T118-E139 WeakPolarHBondContact CB-OE2 3.45Å; T118-E139 HydrophobicContact CG2-CB 4.34Å; T118-E139 VanDerWaalsContact CG2-CD 3.5Å; T118-E139 HydrophobicContact CG2-CG 4.26Å; T118-E139 WeakPolarHBondContact CG2-OE2 3.22Å; T118-E139 PolarHBondContact OG1-OE2 3.4Å; T135-E139 WeakPolarHBondContact O-CB 3.27Å; T135-E139 WeakPolarHBondContact O-CG 3.4Å; T135-E139 PolarHBondContact O-N 2.85Å; N137-E139 VanDerWaalsContact C-N 3.35Å; N137-E139 PolarHBondContact O-N 2.79Å; E139-W142 PolarHBondContact O-N 2.8Å; E139-F143 WeakPolarHBondContact O-CB 3.42Å; E139-F143 PolarHBondContact O-N 2.76Å; E139-L149 HydrophobicContact CB-CD1 4.45Å; E139-L150 WeakPolarHBondContact CG-O 3.24Å; E139-S151 WeakPolarHBondContact OE1-CA 3.39Å; E139-L152 HydrophobicContact CG-CB 4.13Å; E139-L152 HydrophobicContact CG-CD1 3.64Å; E139-L152 HydrophobicContact CG-CG 3.64Å; E139-L152 PolarHBondContact OE1-N 3.03Å
140S98.6Very high98.1Very high0 Ų031 Ų310%016%0.158CC..Hα-helixtrans-68.5-39-179.6-52.70000112.1A116 G136 N137 V138 R144 S232 T233A116-S140 WeakPolarHBondContact O-CA 3.41Å; A116-S140 WeakPolarHBondContact O-CB 3.47Å; A116-S140 PolarHBondContact O-OG 3.34Å; A116-S140 VanDerWaalsContact O-OG 3.07Å; G136-S140 PolarHBondContact O-N 3.02Å; G136-S140 PolarHBondContact O-OG 2.99Å; N137-S140 PolarHBondContact O-N 3.3Å; V138-S140 VanDerWaalsContact C-N 3.32Å; V138-S140 PolarHBondContact O-N 3.29Å; S140-R144 WeakPolarHBondContact O-CB 3.45Å; S140-R144 PolarHBondContact O-N 2.92Å; S140-S232 WeakPolarHBondContact CB-OG 3.31Å; S140-S232 PolarHBondContact O-OG 2.9Å; S140-T233 WeakPolarHBondContact CB-OG1 3.2Å; S140-T233 WeakPolarHBondContact OG-CG2 3.4Å; S140-T233 PolarHBondContact OG-OG1 3.11Å
141Q98.3Very high98.2Very high0 Ų032.4 Ų32.40%017%0.167CC..Hα-helixtrans-67-40.8175.6-75.9-72.6-5.600111.3N137 V138 R144 K145 S232 S315 A316 I318N137-Q141 WeakPolarHBondContact O-CG 3.05Å; N137-Q141 PolarHBondContact O-N 3.39Å; V138-Q141 PolarHBondContact O-N 2.88Å; Q141-R144 PolarHBondContact O-N 2.85Å; Q141-K145 PolarHBondContact O-N 2.85Å; Q141-S232 VanDerWaalsContact CD-CB 3.45Å; Q141-S232 PolarHBondContact N-OG 2.91Å; Q141-S315 PolarHBondContact NE2-OG 2.81Å; Q141-A316 VanDerWaalsContact CD-O 3.31Å; Q141-A316 HydrophobicContact CG-CB 4.44Å; Q141-A316 WeakPolarHBondContact CG-O 3.42Å; Q141-A316 PolarHBondContact NE2-O 2.76Å; Q141-A316 VanDerWaalsContact NE2-O 3.16Å; Q141-I318 HydrophobicContact CB-CD1 3.82Å; Q141-I318 HydrophobicContact CB-CG1 4.13Å
142W98.3Very high98.2Very high33 Ų3332.5 Ų32.513%0.12517%0.168CC..Hα-helixtrans-65-43.7176.8-169.5-99.1000111.6V138 E139 R144 K145 T146 V209 Y210 I318V138-W142 VanDerWaalsContact O-CB 3.29Å; V138-W142 WeakPolarHBondContact O-CB 3.47Å; V138-W142 PolarHBondContact O-N 3.11Å; E139-W142 PolarHBondContact O-N 2.8Å; W142-R144 VanDerWaalsContact C-N 3.34Å; W142-R144 PolarHBondContact O-N 2.95Å; W142-K145 PolarHBondContact O-N 3.4Å; W142-T146 HydrophobicContact CD2-CG2 4.03Å; W142-T146 HydrophobicContact CG-CG2 4.45Å; W142-T146 HydrophobicContact CH2-CG2 4.44Å; W142-T146 HydrophobicContact CZ2-CG2 3.91Å; W142-T146 PolarHBondContact NE1-OG1 2.99Å; W142-T146 WeakPolarHBondContact O-CB 3.24Å; W142-T146 PolarHBondContact O-N 2.88Å; W142-T146 PolarHBondContact O-OG1 3.26Å; W142-V209 HydrophobicContact CB-CG1 4.41Å; W142-V209 HydrophobicContact CD2-CB 3.78Å; W142-V209 HydrophobicContact CD2-CG1 3.49Å; W142-V209 VanDerWaalsContact CD2-CG1 3.49Å; W142-V209 HydrophobicContact CE3-CB 3.67Å; W142-V209 HydrophobicContact CE3-CG1 3.95Å; W142-V209 HydrophobicContact CG-CB 4.27Å; W142-V209 HydrophobicContact CG-CG1 3.66Å; W142-V209 HydrophobicContact CH2-CB 4.42Å; W142-V209 HydrophobicContact CZ2-CB 4.48Å; W142-V209 HydrophobicContact CZ2-CG1 4.17Å; W142-V209 HydrophobicContact CZ3-CB 4.04Å; W142-Y210 AromaticContact CH2-CD1 3.93Å; W142-Y210 HydrophobicContact CH2-CD1 3.93Å; W142-Y210 AromaticContact CH2-CE1 3.78Å; W142-Y210 HydrophobicContact CH2-CE1 3.78Å; W142-Y210 AromaticContact CZ3-CD1 3.77Å; W142-Y210 HydrophobicContact CZ3-CD1 3.77Å; W142-Y210 AromaticContact CZ3-CE1 3.76Å; W142-Y210 HydrophobicContact CZ3-CE1 3.76Å; W142-Y210 HydrophobicContact CZ3-CG 4.31Å; W142-I318 HydrophobicContact CB-CD1 4.32Å; W142-I318 HydrophobicContact CE3-CD1 3.81Å
143F98.3Very high98.2Very high44 Ų4431.6 Ų31.619%0.19316%0.164CC..Hα-helixtrans-57.1-47.4172.6175.5-94.6000111.3K114 G115 A116 E139 K145 T146 G147 K148 L149K114-F143 WeakPolarHBondContact O-CE1 3.44Å; K114-F143 VanDerWaalsContact O-CZ 3.22Å; K114-F143 WeakPolarHBondContact O-CZ 3.46Å; G115-F143 WeakPolarHBondContact O-CD2 3.37Å; G115-F143 VanDerWaalsContact O-CE2 3.28Å; G115-F143 WeakPolarHBondContact O-CE2 3.29Å; A116-F143 HydrophobicContact CB-CB 4.45Å; A116-F143 HydrophobicContact CB-CD1 3.26Å; A116-F143 HydrophobicContact CB-CE1 3.64Å; A116-F143 HydrophobicContact CB-CG 3.98Å; E139-F143 WeakPolarHBondContact O-CB 3.42Å; E139-F143 PolarHBondContact O-N 2.76Å; F143-K145 VanDerWaalsContact C-N 3.31Å; F143-K145 PolarHBondContact O-N 3.35Å; F143-T146 PolarHBondContact O-N 3.37Å; F143-G147 WeakPolarHBondContact O-CA 3.46Å; F143-G147 PolarHBondContact O-N 3.43Å; F143-K148 WeakPolarHBondContact CA-O 3.1Å; F143-L149 HydrophobicContact CB-CD1 4.08Å; F143-L149 HydrophobicContact CD2-CB 3.78Å; F143-L149 HydrophobicContact CE2-CB 4.48Å
144R96.2Very high98.3Very high87 Ų8731.6 Ų31.633%0.32816%0.163SC..Hα-helixtrans-59.4-41.4178.2-176.7178.979.7129.7-12.2112.8S140 Q141 W142 H230 N231S140-R144 WeakPolarHBondContact O-CB 3.45Å; S140-R144 PolarHBondContact O-N 2.92Å; Q141-R144 PolarHBondContact O-N 2.85Å; W142-R144 VanDerWaalsContact C-N 3.34Å; W142-R144 PolarHBondContact O-N 2.95Å; R144-H230 PolarHBondContact NH1-O 2.77Å; R144-N231 WeakPolarHBondContact CD-O 3.48Å; R144-N231 VanDerWaalsContact CZ-OD1 3.31Å; R144-N231 PolarHBondContact NH1-OD1 3.36Å; R144-N231 PolarHBondContact NH2-OD1 3.01Å
145K96.8Very high98.3Very high102 Ų10231.6 Ų31.644%0.44316%0.163SC..Hα-helixtrans-74-37.1-178179.263.4179.3-178.20112.8Q141 W142 F143 I318 Y319Q141-K145 PolarHBondContact O-N 2.85Å; W142-K145 PolarHBondContact O-N 3.4Å; F143-K145 VanDerWaalsContact C-N 3.31Å; F143-K145 PolarHBondContact O-N 3.35Å; K145-I318 HydrophobicContact CB-CB 4.48Å; K145-I318 HydrophobicContact CB-CG2 4.27Å; K145-I318 HydrophobicContact CD-CG2 4.5Å; K145-I318 HydrophobicContact CG-CG2 3.87Å; K145-Y319 VanDerWaalsContact CE-O 3.24Å; K145-Y319 WeakPolarHBondContact CE-O 3.31Å; K145-Y319 PolarHBondContact NZ-O 3.46Å; K145-Y319 PolarHBondContact NZ-OXT 2.8Å
146T97.4Very high98.3Very high57 Ų5731.6 Ų31.635%0.3516%0.163SC..Hα-helixtrans-118.8-14.2-165.7700000114.9W142 F143 K148W142-T146 HydrophobicContact CD2-CG2 4.03Å; W142-T146 HydrophobicContact CG-CG2 4.45Å; W142-T146 HydrophobicContact CH2-CG2 4.44Å; W142-T146 HydrophobicContact CZ2-CG2 3.91Å; W142-T146 PolarHBondContact NE1-OG1 2.99Å; W142-T146 WeakPolarHBondContact O-CB 3.24Å; W142-T146 PolarHBondContact O-N 2.88Å; W142-T146 PolarHBondContact O-OG1 3.26Å; F143-T146 PolarHBondContact O-N 3.37Å; T146-K148 PolarHBondContact O-N 3.47Å; T146-K148 PolarHBondContact OG1-N 3.01Å; T146-K148 VanDerWaalsContact OG1-N 3.17Å
147G97.3Very high98.2Very high54 Ų5431.5 Ų31.556%0.55716%0.163SC*.SBendtrans745.4-169.800000114.5F143F143-G147 WeakPolarHBondContact O-CA 3.46Å; F143-G147 PolarHBondContact O-N 3.43Å
148K97.9Very high98.2Very high139 Ų13931.9 Ų31.960%0.60417%0.165SC*.  trans-110.1119.2-178.7-62.9-177.6-179.11800110.7F143 T146F143-K148 WeakPolarHBondContact CA-O 3.1Å; T146-K148 PolarHBondContact O-N 3.47Å; T146-K148 PolarHBondContact OG1-N 3.01Å; T146-K148 VanDerWaalsContact OG1-N 3.17Å
149L98.4Very high98.2Very high61 Ų6132.8 Ų32.832%0.31917%0.17SC..  trans-88.3125.5171.4-171.968.5000107.8G115 T118 E139 F143G115-L149 WeakPolarHBondContact O-CD2 3.49Å; T118-L149 HydrophobicContact CG2-CD1 3.94Å; T118-L149 HydrophobicContact CG2-CD2 4.07Å; T118-L149 HydrophobicContact CG2-CG 3.86Å; E139-L149 HydrophobicContact CB-CD1 4.45Å; F143-L149 HydrophobicContact CB-CD1 4.08Å; F143-L149 HydrophobicContact CD2-CB 3.78Å; F143-L149 HydrophobicContact CE2-CB 4.48Å
150L98.4Very high98.1Very high49 Ų4933.8 Ų33.826%0.25718%0.176SC..  trans-124.6148.6179.7-61.1175.8000108.1T118 E139 L152 L187 V209T118-L150 WeakPolarHBondContact CG2-O 3.3Å; E139-L150 WeakPolarHBondContact CG-O 3.24Å; L150-L152 HydrophobicContact CB-CD2 4.39Å; L150-L187 HydrophobicContact CB-CD2 3.9Å; L150-L187 HydrophobicContact CD1-CD2 4.13Å; L150-L187 HydrophobicContact CD2-CD2 4.27Å; L150-L187 HydrophobicContact CG-CD2 4.32Å; L150-V209 HydrophobicContact CD1-CG1 3.74Å
151S98.7Very high98.1Very high29 Ų2934.2 Ų34.220%0.20318%0.179CC..  trans-93.9120.6170.7-163.90000108.3E119 K121 E139 L187 E188E119-S151 PolarHBondContact OE1-OG 3.43Å; K121-S151 WeakPolarHBondContact CE-OG 3.17Å; K121-S151 PolarHBondContact NZ-OG 2.89Å; E139-S151 WeakPolarHBondContact OE1-CA 3.39Å; S151-L187 WeakPolarHBondContact O-CA 3.1Å; S151-E188 PolarHBondContact O-N 3.46Å
152L98.8Very high97.8Very high1 Ų137.7 Ų37.71%0.00522%0.215CC..BIsolated β-bridgetrans-104.5151.2-172.7-59.8176.6000111.5K121 T135 V138 E139 L150 E154 L185 L187 V209K121-L152 PolarHBondContact NZ-O 3.41Å; T135-L152 HydrophobicContact CG2-CB 4.27Å; V138-L152 HydrophobicContact CB-CD1 3.93Å; V138-L152 HydrophobicContact CG1-CD1 3.61Å; E139-L152 HydrophobicContact CG-CB 4.13Å; E139-L152 HydrophobicContact CG-CD1 3.64Å; E139-L152 HydrophobicContact CG-CG 3.64Å; E139-L152 PolarHBondContact OE1-N 3.03Å; L150-L152 HydrophobicContact CB-CD2 4.39Å; L152-E154 PolarHBondContact O-N 3.04Å; L152-L185 HydrophobicContact CB-CD1 4.31Å; L152-L185 HydrophobicContact CD1-CB 4.46Å; L152-L185 HydrophobicContact CD1-CD1 3.91Å; L152-L185 HydrophobicContact CD2-CB 4.42Å; L152-L187 HydrophobicContact CD2-CD2 4.37Å; L152-V209 HydrophobicContact CD1-CG2 3.59Å; L152-V209 HydrophobicContact CD2-CB 4.36Å; L152-V209 HydrophobicContact CD2-CG1 3.82Å; L152-V209 HydrophobicContact CD2-CG2 3.55Å; L152-V209 HydrophobicContact CG-CG2 4.23Å
153S98.7Very high97.6Very high0 Ų039.5 Ų39.50%023%0.226CC..  trans-73.9113.3-176.8176.70000112.7Q155 Q156 M186 Y191S153-Q155 VanDerWaalsContact C-N 3.3Å; S153-Q155 PolarHBondContact OG-N 3.28Å; S153-Q156 PolarHBondContact OG-N 2.96Å; S153-M186 PolarHBondContact N-O 2.78Å; S153-Y191 VanDerWaalsContact CB-O 3.24Å; S153-Y191 WeakPolarHBondContact CB-O 3.44Å; S153-Y191 WeakPolarHBondContact OG-CB 3.07Å; S153-Y191 PolarHBondContact OG-O 2.69Å
154E98.7Very high97.4Very high3 Ų338.5 Ų38.51%0.01422%0.223CC..Hα-helixtrans-70-31.2164.9-67.781.4-161.600111.9K121 A131 F132 T135 L152 Q156 L157 V158 E188 Y193K121-E154 WeakPolarHBondContact CD-OE1 3.27Å; K121-E154 WeakPolarHBondContact CD-OE2 3.48Å; K121-E154 IonicContact NZ-OE1 3.2Å; K121-E154 PolarHBondContact NZ-OE1 2.83Å; K121-E154 IonicContact NZ-OE2 2.74Å; K121-E154 PolarHBondContact NZ-OE2 3.18Å; A131-E154 HydrophobicContact CB-CB 4.1Å; A131-E154 HydrophobicContact CB-CG 4.37Å; F132-E154 HydrophobicContact CB-CG 4.32Å; F132-E154 HydrophobicContact CD1-CG 3.57Å; F132-E154 HydrophobicContact CD2-CB 4.47Å; F132-E154 HydrophobicContact CD2-CG 4Å; F132-E154 HydrophobicContact CE1-CB 4.35Å; F132-E154 VanDerWaalsContact CE1-CD 3.48Å; F132-E154 HydrophobicContact CE1-CG 3.67Å; F132-E154 HydrophobicContact CE2-CB 4.21Å; F132-E154 HydrophobicContact CE2-CG 4.09Å; F132-E154 HydrophobicContact CG-CG 3.73Å; F132-E154 HydrophobicContact CZ-CB 4.15Å; F132-E154 HydrophobicContact CZ-CG 3.94Å; T135-E154 WeakPolarHBondContact CB-OE1 3.32Å; T135-E154 HydrophobicContact CG2-CB 4.46Å; T135-E154 HydrophobicContact CG2-CG 3.78Å; T135-E154 WeakPolarHBondContact OG1-CG 3.36Å; T135-E154 PolarHBondContact OG1-OE1 3.25Å; L152-E154 PolarHBondContact O-N 3.04Å; E154-Q156 VanDerWaalsContact C-N 3.31Å; E154-Q156 PolarHBondContact O-N 3.38Å; E154-L157 WeakPolarHBondContact O-CB 3.18Å; E154-L157 PolarHBondContact O-N 2.97Å; E154-V158 PolarHBondContact O-N 2.98Å; E154-E188 VanDerWaalsContact OE2-OE2 3.07Å; E154-Y193 HydrophobicContact CB-CD2 3.85Å; E154-Y193 HydrophobicContact CB-CE2 4.11Å
155Q98.6Very high97.2Very high0 Ų039 Ų390%023%0.233CC..Hα-helixtrans-64.4-36.2-177.8-164.862.346.800112.3S153 L157 V158 D159 Y191 P192 Y193 K196S153-Q155 VanDerWaalsContact C-N 3.3Å; S153-Q155 PolarHBondContact OG-N 3.28Å; Q155-L157 PolarHBondContact O-N 3.5Å; Q155-V158 PolarHBondContact O-N 2.99Å; Q155-V158 VanDerWaalsContact O-N 3.15Å; Q155-D159 PolarHBondContact NE2-OD1 2.96Å; Q155-D159 PolarHBondContact NE2-OD2 2.83Å; Q155-D159 WeakPolarHBondContact O-CB 3.19Å; Q155-D159 PolarHBondContact O-N 2.49Å; Q155-Y191 HydrophobicContact CB-CD1 3.72Å; Q155-Y191 HydrophobicContact CB-CE1 3.79Å; Q155-Y191 HydrophobicContact CG-CD1 3.87Å; Q155-Y191 HydrophobicContact CG-CE1 3.5Å; Q155-Y191 VanDerWaalsContact CG-CE1 3.5Å; Q155-P192 VanDerWaalsContact CB-O 3.31Å; Q155-P192 WeakPolarHBondContact CB-O 3.34Å; Q155-P192 WeakPolarHBondContact CG-O 3.36Å; Q155-Y193 HydrophobicContact CB-CD2 4.23Å; Q155-K196 PolarHBondContact NE2-O 3.44Å
156Q98.6Very high97.1Very high0 Ų034.4 Ų34.40%021%0.214CC..Hα-helixtrans-56.3-42.1172.3-175.2-169.1-3300110.9S153 E154 C160 M182 G184 L185 Y191 L202S153-Q156 PolarHBondContact OG-N 2.96Å; E154-Q156 VanDerWaalsContact C-N 3.31Å; E154-Q156 PolarHBondContact O-N 3.38Å; Q156-C160 HydrophobicContact CG-CB 4.47Å; Q156-C160 WeakPolarHBondContact O-CA 3.47Å; Q156-C160 WeakPolarHBondContact O-CB 3.37Å; Q156-C160 PolarHBondContact O-N 3.42Å; Q156-M182 HydrophobicContact CG-SD 4.32Å; Q156-G184 PolarHBondContact NE2-O 2.9Å; Q156-L185 HydrophobicContact CG-CD2 4.48Å; Q156-Y191 HydrophobicContact CB-CD2 3.76Å; Q156-Y191 HydrophobicContact CB-CE2 3.91Å; Q156-Y191 HydrophobicContact CB-CG 4.22Å; Q156-Y191 HydrophobicContact CG-CD2 4.12Å; Q156-Y191 HydrophobicContact CG-CE2 4.06Å; Q156-L202 HydrophobicContact CG-CD1 4.41Å
157L98.6Very high97Very high0 Ų032.6 Ų32.60%020%0.204CC..Hα-helixtrans-66.7-46.9175.7-66.4178.7000111W130 A131 T134 T135 E154 Q155 D159 D161 A175 I179 M182 L185W130-L157 HydrophobicContact CH2-CB 3.93Å; W130-L157 WeakPolarHBondContact CH2-O 3.05Å; W130-L157 HydrophobicContact CZ3-CB 3.94Å; A131-L157 HydrophobicContact CB-CB 3.92Å; A131-L157 HydrophobicContact CB-CD1 4Å; T134-L157 HydrophobicContact CG2-CD1 3.93Å; T135-L157 HydrophobicContact CG2-CD1 3.91Å; E154-L157 WeakPolarHBondContact O-CB 3.18Å; E154-L157 PolarHBondContact O-N 2.97Å; Q155-L157 PolarHBondContact O-N 3.5Å; L157-D159 PolarHBondContact O-N 2.87Å; L157-D161 WeakPolarHBondContact O-CB 3.38Å; L157-D161 PolarHBondContact O-N 3.02Å; L157-A175 HydrophobicContact CD1-CB 4.38Å; L157-I179 HydrophobicContact CD2-CD1 4.06Å; L157-I179 HydrophobicContact CD2-CG1 3.65Å; L157-M182 HydrophobicContact CD2-CE 3.99Å; L157-L185 HydrophobicContact CD2-CD2 3.86Å; L157-L185 HydrophobicContact CG-CD2 4.02Å
158V97.8Very high96.7Very high7 Ų734.8 Ų34.84%0.04220%0.202CC..Hα-helixtrans-55-40.7178.8171.90000112.1A131 E154 Q155 G166 Y193A131-V158 HydrophobicContact CB-CG2 4.35Å; E154-V158 PolarHBondContact O-N 2.98Å; Q155-V158 PolarHBondContact O-N 2.99Å; Q155-V158 VanDerWaalsContact O-N 3.15Å; V158-G166 WeakPolarHBondContact O-CA 3.24Å; V158-Y193 HydrophobicContact CG2-CE2 4.33Å
159D98.4Very high96.4Very high20 Ų2028.5 Ų28.511%0.10718%0.177CC..Hα-helixtrans-92.3-32.7-173.7-64.1-19.9000114.2Q155 L157 Y191 E198 C200 H201Q155-D159 PolarHBondContact NE2-OD1 2.96Å; Q155-D159 PolarHBondContact NE2-OD2 2.83Å; Q155-D159 WeakPolarHBondContact O-CB 3.19Å; Q155-D159 PolarHBondContact O-N 2.49Å; L157-D159 PolarHBondContact O-N 2.87Å; D159-Y191 VanDerWaalsContact CB-OH 3.26Å; D159-Y191 WeakPolarHBondContact CB-OH 3.42Å; D159-Y191 WeakPolarHBondContact OD2-CE1 3.38Å; D159-Y191 PolarHBondContact OD2-OH 3.46Å; D159-E198 WeakPolarHBondContact OD1-CA 3.13Å; D159-E198 PolarHBondContact OD1-N 2.86Å; D159-C200 HydrophobicContact CB-CB 4.41Å; D159-C200 WeakPolarHBondContact O-CB 3.49Å; D159-H201 IonicContact OD2-CE1 3.9Å
160C98.3Very high96.1Very high23 Ų2326.1 Ų26.116%0.15517%0.167CC..Hα-helixtrans-110.9-14.7-167.9-56.80000114.4Q156 G162 M182 C200Q156-C160 HydrophobicContact CG-CB 4.47Å; Q156-C160 WeakPolarHBondContact O-CA 3.47Å; Q156-C160 WeakPolarHBondContact O-CB 3.37Å; Q156-C160 PolarHBondContact O-N 3.42Å; C160-G162 PolarHBondContact O-N 2.95Å; C160-G162 VanDerWaalsContact O-N 3.11Å; C160-M182 HydrophobicContact CB-CE 4.43Å; C160-M182 HydrophobicContact CB-SD 3.34Å; C160-M182 WeakPolarHBondContact CB-SD 3.47Å; C160-C200 HydrophobicContact CB-CB 3.84Å; C160-C200 WeakPolarHBondContact CB-SG 3.06Å; C160-C200 WeakPolarHBondContact SG-CA 3.38Å; C160-C200 WeakPolarHBondContact SG-CB 3.17Å; C160-C200 CovalentContact SG-SG 2.04Å; C160-C200 PolarHBondContact SG-SG 2.93Å
161D96.9Very high95.9Very high9 Ų924.9 Ų24.95%0.04816%0.161CC..  trans-70.7104.7172.8-170.4-16.7000110.3W130 L157 L163 D164 A175 S178W130-D161 HydrophobicContact CH2-CB 3.82Å; W130-D161 HydrophobicContact CZ3-CB 4.26Å; W130-D161 WeakPolarHBondContact CZ3-OD2 3.38Å; L157-D161 WeakPolarHBondContact O-CB 3.38Å; L157-D161 PolarHBondContact O-N 3.02Å; D161-L163 VanDerWaalsContact C-N 3.29Å; D161-L163 PolarHBondContact O-N 2.83Å; D161-L163 WeakPolarHBondContact OD1-CA 3.25Å; D161-L163 WeakPolarHBondContact OD1-CB 3.46Å; D161-L163 PolarHBondContact OD1-N 2.7Å; D161-D164 PolarHBondContact OD1-N 3.25Å; D161-A175 VanDerWaalsContact OD2-CA 3.24Å; D161-A175 WeakPolarHBondContact OD2-CA 3.08Å; D161-S178 VanDerWaalsContact CG-CB 3.44Å; D161-S178 VanDerWaalsContact OD1-CB 3.29Å; D161-S178 WeakPolarHBondContact OD1-CB 3.29Å; D161-S178 PolarHBondContact OD1-OG 2.89Å
162G93Very high95.7Very high74 Ų7423.7 Ų23.776%0.76315%0.152SC*.SBendtrans-81.51.3177.300000115.3C160C160-G162 PolarHBondContact O-N 2.95Å; C160-G162 VanDerWaalsContact O-N 3.11Å
163L93.5Very high95.5Very high70 Ų7024.6 Ų24.637%0.36616%0.159SC..SBendtrans-97.6-26.2176.4-62.7178.2000112.7D161 N174 E177D161-L163 VanDerWaalsContact C-N 3.29Å; D161-L163 PolarHBondContact O-N 2.83Å; D161-L163 WeakPolarHBondContact OD1-CA 3.25Å; D161-L163 WeakPolarHBondContact OD1-CB 3.46Å; D161-L163 PolarHBondContact OD1-N 2.7Å; L163-N174 HydrophobicContact CB-CB 3.99Å; L163-N174 HydrophobicContact CD1-CB 4.37Å; L163-E177 HydrophobicContact CD1-CB 3.93Å; L163-E177 HydrophobicContact CD1-CG 4.01Å
164D93.4Very high95.2Very high24 Ų2425.7 Ų25.713%0.12816%0.164CC..SBendtrans-106.1177177.9-73.7-32.4000111W130 D161 G170 L171 N174W130-D164 HydrophobicContact CE3-CB 4.47Å; W130-D164 HydrophobicContact CH2-CB 3.78Å; W130-D164 HydrophobicContact CZ2-CB 3.86Å; W130-D164 HydrophobicContact CZ3-CB 4.09Å; W130-D164 WeakPolarHBondContact CZ3-OD2 3.45Å; D161-D164 PolarHBondContact OD1-N 3.25Å; D164-G170 WeakPolarHBondContact OD1-CA 3.27Å; D164-L171 PolarHBondContact OD1-N 2.89Å; D164-L171 VanDerWaalsContact OD1-N 3.11Å; D164-L171 PolarHBondContact OD2-N 3.5Å; D164-N174 WeakPolarHBondContact OD1-CB 3.35Å; D164-N174 PolarHBondContact OD1-ND2 2.65Å; D164-N174 WeakPolarHBondContact OD2-CB 3.32Å
165D94Very high95.1Very high98 Ų9825.5 Ų25.552%0.52416%0.164SC..  trans-117.137.4-172-164.527.6000112.2C167 N168 G169D165-C167 PolarHBondContact O-N 2.97Å; D165-N168 HydrophobicContact CB-CB 4.09Å; D165-N168 WeakPolarHBondContact O-CB 3.44Å; D165-N168 PolarHBondContact O-N 3.4Å; D165-N168 WeakPolarHBondContact OD2-CB 3.11Å; D165-N168 PolarHBondContact OD2-ND2 3.01Å; D165-G169 CarbonylContact C-O 3.41Å; D165-G169 PolarHBondContact N-O 2.59Å
166G94.4Very high95.1Very high5 Ų525.5 Ų25.55%0.05216%0.164CC..G310 helixtrans53.5-122.3176.900000113W130 V158 N168 G169 N197W130-G166 PolarHBondContact NE1-O 3.09Å; V158-G166 WeakPolarHBondContact O-CA 3.24Å; G166-N168 PolarHBondContact O-N 2.9Å; G166-G169 PolarHBondContact O-N 2.91Å; G166-N197 WeakPolarHBondContact CA-OD1 3.4Å
167C94.1Very high95Very high19 Ų1928.9 Ų28.913%0.12818%0.179CC..G310 helixtrans-69.3-9.6177.3-70.80000115.3C126 G127 D165 K196 N197C126-C167 HydrophobicContact CB-CB 3.95Å; C126-C167 WeakPolarHBondContact CB-SG 3.37Å; C126-C167 WeakPolarHBondContact SG-CA 3.35Å; C126-C167 WeakPolarHBondContact SG-CB 3.49Å; C126-C167 CovalentContact SG-SG 2.04Å; C126-C167 PolarHBondContact SG-SG 3.05Å; G127-C167 WeakPolarHBondContact CA-O 3.49Å; G127-C167 PolarHBondContact N-O 3.2Å; D165-C167 PolarHBondContact O-N 2.97Å; C167-K196 VanDerWaalsContact SG-CA 3.52Å; C167-N197 PolarHBondContact N-OD1 3.14Å
168N91.3Very high94.9Very high99 Ų9929.1 Ų29.153%0.52918%0.181SC..G310 helixtrans-87.7-13.3175.3-61.3-38.8000112.5D165 G166D165-N168 HydrophobicContact CB-CB 4.09Å; D165-N168 WeakPolarHBondContact O-CB 3.44Å; D165-N168 PolarHBondContact O-N 3.4Å; D165-N168 WeakPolarHBondContact OD2-CB 3.11Å; D165-N168 PolarHBondContact OD2-ND2 3.01Å; G166-N168 PolarHBondContact O-N 2.9Å
169G91.8Very high94.9Very high8 Ų828.8 Ų28.88%0.08218%0.179CC..  trans136.617317500000114.5T82 D165 G166T82-G169 WeakPolarHBondContact OG1-CA 3.44Å; D165-G169 CarbonylContact C-O 3.41Å; D165-G169 PolarHBondContact N-O 2.59Å; G166-G169 PolarHBondContact O-N 2.91Å
170G92.6Very high94.9Very high10 Ų1031.2 Ų31.210%0.10319%0.192CC..  trans178.7-179.1-177.500000112.4W130 D164W130-G170 WeakPolarHBondContact CB-O 3.42Å; D164-G170 WeakPolarHBondContact OD1-CA 3.27Å
171L93.6Very high94.8Very high24 Ų2436.5 Ų36.513%0.12621%0.212CC..  trans-129.9134.5-179.2-66.1177.1000110.5W85 D164 S173 N174 A175W85-L171 HydrophobicContact CB-CD2 3.98Å; W85-L171 HydrophobicContact CD2-CD2 3.39Å; W85-L171 HydrophobicContact CE3-CD2 3.81Å; W85-L171 HydrophobicContact CG-CD2 3.45Å; W85-L171 VanDerWaalsContact CG-CD2 3.45Å; W85-L171 HydrophobicContact CZ2-CD2 4.39Å; W85-L171 HydrophobicContact CZ3-CD2 4.43Å; D164-L171 PolarHBondContact OD1-N 2.89Å; D164-L171 VanDerWaalsContact OD1-N 3.11Å; D164-L171 PolarHBondContact OD2-N 3.5Å; L171-S173 PolarHBondContact O-N 3.08Å; L171-N174 HydrophobicContact CB-CB 4.4Å; L171-N174 WeakPolarHBondContact O-CB 3.34Å; L171-N174 PolarHBondContact O-N 3.44Å; L171-A175 PolarHBondContact O-N 2.74Å; L171-A175 VanDerWaalsContact O-N 3.08Å
172P95.2Very high94.9Very high3 Ų337.5 Ų37.52%0.01922%0.217CC..Hα-helixtrans-53.3-34176.6-29.135.5000114.5W85 T134 N174 A175 Y176 A266W85-P172 HydrophobicContact CH2-CG 4.26Å; T134-P172 VanDerWaalsContact OG1-CA 3.3Å; T134-P172 WeakPolarHBondContact OG1-CA 3.39Å; T134-P172 WeakPolarHBondContact OG1-CB 3.35Å; P172-N174 PolarHBondContact O-N 3.42Å; P172-A175 PolarHBondContact O-N 3.32Å; P172-Y176 HydrophobicContact CB-CE2 4.26Å; P172-Y176 WeakPolarHBondContact O-CD2 3.3Å; P172-Y176 WeakPolarHBondContact O-CE2 3.23Å; P172-Y176 VanDerWaalsContact O-CG 3.29Å; P172-Y176 PolarHBondContact O-N 2.87Å; P172-A266 HydrophobicContact CG-CB 4.16Å
173S93.2Very high95.1Very high21 Ų2136.2 Ų36.215%0.14720%0.203CC..Hα-helixtrans-66-32.8176.469.90000114.4R91 L171R91-S173 PolarHBondContact NH1-OG 3.27Å; L171-S173 PolarHBondContact O-N 3.08Å
174N94Very high95.3Very high22 Ų2232.9 Ų32.912%0.11819%0.185CC..Hα-helixtrans-72.4-46.1173.3-74.2-11.3000109.9R91 L163 D164 L171 P172 Y176 E177 S178R91-N174 PolarHBondContact NH1-OD1 3.36Å; R91-N174 PolarHBondContact NH2-OD1 2.97Å; L163-N174 HydrophobicContact CB-CB 3.99Å; L163-N174 HydrophobicContact CD1-CB 4.37Å; D164-N174 WeakPolarHBondContact OD1-CB 3.35Å; D164-N174 PolarHBondContact OD1-ND2 2.65Å; D164-N174 WeakPolarHBondContact OD2-CB 3.32Å; L171-N174 HydrophobicContact CB-CB 4.4Å; L171-N174 WeakPolarHBondContact O-CB 3.34Å; L171-N174 PolarHBondContact O-N 3.44Å; P172-N174 PolarHBondContact O-N 3.42Å; N174-Y176 VanDerWaalsContact C-N 3.31Å; N174-Y176 PolarHBondContact O-N 2.89Å; N174-E177 WeakPolarHBondContact O-CA 3.24Å; N174-E177 VanDerWaalsContact O-CB 3.29Å; N174-E177 WeakPolarHBondContact O-CB 3.47Å; N174-E177 PolarHBondContact O-N 2.83Å; N174-S178 PolarHBondContact O-N 3.38Å
175A96.7Very high95.5Very high0 Ų031.7 Ų31.70%018%0.179CC..Hα-helixtrans-54.4-44.1177.400000112.9W130 T134 L157 D161 L171 P172 E177 S178 I179W130-A175 HydrophobicContact CE3-CB 3.76Å; W130-A175 HydrophobicContact CZ3-CB 3.65Å; T134-A175 HydrophobicContact CG2-CB 3.6Å; T134-A175 WeakPolarHBondContact OG1-CB 3.04Å; L157-A175 HydrophobicContact CD1-CB 4.38Å; D161-A175 VanDerWaalsContact OD2-CA 3.24Å; D161-A175 WeakPolarHBondContact OD2-CA 3.08Å; L171-A175 PolarHBondContact O-N 2.74Å; L171-A175 VanDerWaalsContact O-N 3.08Å; P172-A175 PolarHBondContact O-N 3.32Å; A175-E177 VanDerWaalsContact C-N 3.35Å; A175-E177 PolarHBondContact O-N 3.2Å; A175-S178 PolarHBondContact O-N 3.27Å; A175-I179 WeakPolarHBondContact O-CG1 3.22Å; A175-I179 PolarHBondContact O-N 2.84Å
176Y97.6Very high95.8Very high0 Ų027.4 Ų27.40%016%0.156CC..Hα-helixtrans-60.6-41.9174-60.3-45.7000112.8T134 N137 V138 P172 N174 S178 I179 I180 I211 S235 A316T134-Y176 HydrophobicContact CG2-CD1 3.65Å; T134-Y176 HydrophobicContact CG2-CE1 3.49Å; T134-Y176 VanDerWaalsContact CG2-CE1 3.49Å; N137-Y176 WeakPolarHBondContact CB-OH 3.36Å; N137-Y176 VanDerWaalsContact CG-OH 3.24Å; N137-Y176 PolarHBondContact OD1-OH 2.92Å; V138-Y176 HydrophobicContact CG2-CD1 4.28Å; V138-Y176 HydrophobicContact CG2-CE1 4.02Å; P172-Y176 HydrophobicContact CB-CE2 4.26Å; P172-Y176 WeakPolarHBondContact O-CD2 3.3Å; P172-Y176 WeakPolarHBondContact O-CE2 3.23Å; P172-Y176 VanDerWaalsContact O-CG 3.29Å; P172-Y176 PolarHBondContact O-N 2.87Å; N174-Y176 VanDerWaalsContact C-N 3.31Å; N174-Y176 PolarHBondContact O-N 2.89Å; Y176-S178 VanDerWaalsContact C-N 3.31Å; Y176-S178 PolarHBondContact O-N 2.8Å; Y176-I179 HydrophobicContact CD1-CD1 4.38Å; Y176-I179 PolarHBondContact O-N 3.37Å; Y176-I180 WeakPolarHBondContact O-CG1 3.41Å; Y176-I180 PolarHBondContact O-N 3.07Å; Y176-I180 VanDerWaalsContact O-N 3.13Å; Y176-I211 HydrophobicContact CD1-CD1 3.79Å; Y176-I211 HydrophobicContact CG-CD1 4.15Å; Y176-S235 VanDerWaalsContact OH-CB 3.32Å; Y176-S235 WeakPolarHBondContact OH-CB 3.33Å; Y176-S235 PolarHBondContact OH-OG 3.47Å; Y176-A316 HydrophobicContact CD1-CB 3.91Å; Y176-A316 HydrophobicContact CE1-CB 3.78Å
177E96.4Very high96Very high70 Ų7029.3 Ų29.333%0.32717%0.165SC..Hα-helixtrans-61.2-42.1176.2-169-174.514900111R91 L163 N174 A175 I180 K181R91-E177 IonicContact CZ-OE2 2.69Å; R91-E177 IonicContact NH2-OE2 2.94Å; R91-E177 PolarHBondContact NH2-OE2 3.47Å; L163-E177 HydrophobicContact CD1-CB 3.93Å; L163-E177 HydrophobicContact CD1-CG 4.01Å; N174-E177 WeakPolarHBondContact O-CA 3.24Å; N174-E177 VanDerWaalsContact O-CB 3.29Å; N174-E177 WeakPolarHBondContact O-CB 3.47Å; N174-E177 PolarHBondContact O-N 2.83Å; A175-E177 VanDerWaalsContact C-N 3.35Å; A175-E177 PolarHBondContact O-N 3.2Å; E177-I180 PolarHBondContact O-N 2.67Å; E177-K181 WeakPolarHBondContact O-CG 3.24Å; E177-K181 PolarHBondContact O-N 3.45Å; E177-K181 VanDerWaalsContact O-N 3.1Å; E177-K181 WeakPolarHBondContact OE1-CE 3.48Å; E177-K181 IonicContact OE1-NZ 2.86Å; E177-K181 PolarHBondContact OE1-NZ 3Å
178S97.2Very high96.2Very high6 Ų629.9 Ų29.94%0.04217%0.166CC..Hα-helixtrans-68.9-38177.4-720000112.9D161 N174 A175 Y176 I180 K181 M182D161-S178 VanDerWaalsContact CG-CB 3.44Å; D161-S178 VanDerWaalsContact OD1-CB 3.29Å; D161-S178 WeakPolarHBondContact OD1-CB 3.29Å; D161-S178 PolarHBondContact OD1-OG 2.89Å; N174-S178 PolarHBondContact O-N 3.38Å; A175-S178 PolarHBondContact O-N 3.27Å; Y176-S178 VanDerWaalsContact C-N 3.31Å; Y176-S178 PolarHBondContact O-N 2.8Å; S178-I180 VanDerWaalsContact C-N 3.32Å; S178-I180 PolarHBondContact O-N 2.8Å; S178-K181 PolarHBondContact O-N 2.9Å; S178-M182 WeakPolarHBondContact O-CB 3.41Å; S178-M182 WeakPolarHBondContact O-CG 3.49Å; S178-M182 PolarHBondContact O-N 3.47Å
179I98.5Very high96.5Very high0 Ų032 Ų320%018%0.177CC..Hα-helixtrans-58.3-45.5173.1-68.7164.5000110.6T134 V138 L157 A175 Y176 K181 M182 G183 G184 L185 I211T134-I179 HydrophobicContact CG2-CD1 3.65Å; V138-I179 HydrophobicContact CG2-CD1 4.09Å; L157-I179 HydrophobicContact CD2-CD1 4.06Å; L157-I179 HydrophobicContact CD2-CG1 3.65Å; A175-I179 WeakPolarHBondContact O-CG1 3.22Å; A175-I179 PolarHBondContact O-N 2.84Å; Y176-I179 HydrophobicContact CD1-CD1 4.38Å; Y176-I179 PolarHBondContact O-N 3.37Å; I179-K181 VanDerWaalsContact C-N 3.35Å; I179-K181 PolarHBondContact O-N 2.81Å; I179-M182 PolarHBondContact O-N 3.27Å; I179-G183 PolarHBondContact O-N 3.01Å; I179-G183 VanDerWaalsContact O-N 3.08Å; I179-G184 PolarHBondContact O-N 2.82Å; I179-L185 HydrophobicContact CD1-CD1 3.71Å; I179-L185 HydrophobicContact CD1-CD2 4.35Å; I179-L185 HydrophobicContact CD1-CG 4.07Å; I179-L185 HydrophobicContact CG1-CD1 4.14Å; I179-L185 HydrophobicContact CG1-CD2 3.93Å; I179-L185 HydrophobicContact CG1-CG 3.92Å; I179-L185 HydrophobicContact CG2-CG 4.17Å; I179-I211 HydrophobicContact CB-CD1 4.06Å; I179-I211 HydrophobicContact CB-CG1 4.37Å; I179-I211 HydrophobicContact CD1-CD1 4.39Å; I179-I211 HydrophobicContact CG2-CD1 3.99Å; I179-I211 HydrophobicContact CG2-CG1 3.86Å
180I97.5Very high96.8Very high71 Ų7136.2 Ų36.236%0.36420%0.198SC..Hα-helixtrans-61.6-45.2178.2-64.9163000110.3Y176 E177 S178 M182 G183 I211Y176-I180 WeakPolarHBondContact O-CG1 3.41Å; Y176-I180 PolarHBondContact O-N 3.07Å; Y176-I180 VanDerWaalsContact O-N 3.13Å; E177-I180 PolarHBondContact O-N 2.67Å; S178-I180 VanDerWaalsContact C-N 3.32Å; S178-I180 PolarHBondContact O-N 2.8Å; I180-M182 PolarHBondContact O-N 2.86Å; I180-G183 PolarHBondContact O-N 2.9Å; I180-I211 HydrophobicContact CD1-CD1 4.44Å; I180-I211 HydrophobicContact CD1-CG1 4.25Å; I180-I211 HydrophobicContact CG1-CD1 4.13Å; I180-I211 HydrophobicContact CG1-CG1 3.63Å
181K96.9Very high97Very high133 Ų13335.8 Ų35.858%0.57819%0.193SC*.Hα-helixtrans-64.2-37.5178.4-72.3174.3-174.31670113E177 S178 I179 G183E177-K181 WeakPolarHBondContact O-CG 3.24Å; E177-K181 PolarHBondContact O-N 3.45Å; E177-K181 VanDerWaalsContact O-N 3.1Å; E177-K181 WeakPolarHBondContact OE1-CE 3.48Å; E177-K181 IonicContact OE1-NZ 2.86Å; E177-K181 PolarHBondContact OE1-NZ 3Å; S178-K181 PolarHBondContact O-N 2.9Å; I179-K181 VanDerWaalsContact C-N 3.35Å; I179-K181 PolarHBondContact O-N 2.81Å; K181-G183 PolarHBondContact O-N 3.05Å
182M97.2Very high97.3Very high31 Ų3138.1 Ų38.115%0.15321%0.21CC..Hα-helixtrans-74.2-14.3176.5-72.4-170.4-72.300113.4Q156 L157 C160 S178 I179 I180 G184 L202Q156-M182 HydrophobicContact CG-SD 4.32Å; L157-M182 HydrophobicContact CD2-CE 3.99Å; C160-M182 HydrophobicContact CB-CE 4.43Å; C160-M182 HydrophobicContact CB-SD 3.34Å; C160-M182 WeakPolarHBondContact CB-SD 3.47Å; S178-M182 WeakPolarHBondContact O-CB 3.41Å; S178-M182 WeakPolarHBondContact O-CG 3.49Å; S178-M182 PolarHBondContact O-N 3.47Å; I179-M182 PolarHBondContact O-N 3.27Å; I180-M182 PolarHBondContact O-N 2.86Å; M182-G184 VanDerWaalsContact C-N 3.32Å; M182-L202 HydrophobicContact CB-CD2 3.88Å; M182-L202 HydrophobicContact CG-CD2 3.99Å; M182-L202 HydrophobicContact SD-CD2 4Å
183G97.3Very high97.4Very high46 Ų4639.9 Ų39.947%0.47422%0.216SC..THydrogen-bonded Turntrans85.8-0.1-175.600000114.3I179 I180 K181I179-G183 PolarHBondContact O-N 3.01Å; I179-G183 VanDerWaalsContact O-N 3.08Å; I180-G183 PolarHBondContact O-N 2.9Å; K181-G183 PolarHBondContact O-N 3.05Å
184G98.3Very high97.6Very high0 Ų042.4 Ų42.40%023%0.228CC..SBendtrans142.9-167.1177.400000115.2Q156 I179 M182 V209Q156-G184 PolarHBondContact NE2-O 2.9Å; I179-G184 PolarHBondContact O-N 2.82Å; M182-G184 VanDerWaalsContact C-N 3.32Å; G184-V209 CarbonylContact C-O 3.46Å; G184-V209 WeakPolarHBondContact CA-O 3.47Å
185L98.8Very high97.7Very high0 Ų042.8 Ų42.80%024%0.235CC..EExtended strand (participates in β ladder)trans-119.2143.3177.9-70.1173.9000111.7T135 V138 L152 Q156 L157 I179 A208 V209T135-L185 HydrophobicContact CG2-CD1 4.22Å; V138-L185 HydrophobicContact CB-CD1 4.49Å; V138-L185 HydrophobicContact CG1-CD1 4.35Å; L152-L185 HydrophobicContact CB-CD1 4.31Å; L152-L185 HydrophobicContact CD1-CB 4.46Å; L152-L185 HydrophobicContact CD1-CD1 3.91Å; L152-L185 HydrophobicContact CD2-CB 4.42Å; Q156-L185 HydrophobicContact CG-CD2 4.48Å; L157-L185 HydrophobicContact CD2-CD2 3.86Å; L157-L185 HydrophobicContact CG-CD2 4.02Å; I179-L185 HydrophobicContact CD1-CD1 3.71Å; I179-L185 HydrophobicContact CD1-CD2 4.35Å; I179-L185 HydrophobicContact CD1-CG 4.07Å; I179-L185 HydrophobicContact CG1-CD1 4.14Å; I179-L185 HydrophobicContact CG1-CD2 3.93Å; I179-L185 HydrophobicContact CG1-CG 3.92Å; I179-L185 HydrophobicContact CG2-CG 4.17Å; L185-A208 PolarHBondContact O-N 2.8Å; L185-V209 HydrophobicContact CB-CG2 3.84Å; L185-V209 PolarHBondContact N-O 3.31Å; L185-V209 PolarHBondContact O-N 3.48Å
186M98.7Very high97.7Very high7 Ų747.5 Ų47.53%0.03426%0.255CS..EExtended strand (participates in β ladder)trans-80.4162.2168.8-61.5-177.960.800110.7S153 N190 Y191 L202 K203S153-M186 PolarHBondContact N-O 2.78Å; M186-N190 HydrophobicContact CE-CB 3.87Å; M186-Y191 HydrophobicContact SD-CD2 3.92Å; M186-L202 HydrophobicContact CG-CD1 3.97Å; M186-L202 HydrophobicContact SD-CD1 3.77Å; M186-K203 HydrophobicContact CE-CB 4.27Å; M186-K203 HydrophobicContact SD-CB 4.36Å
187L98.6Very high97.6Very high46 Ų4651.4 Ų51.424%0.24128%0.276CS..BIsolated β-bridgetrans-69150.2170.4-60.7177.9000111L150 S151 L152 D189 N190 Y191 A208L150-L187 HydrophobicContact CB-CD2 3.9Å; L150-L187 HydrophobicContact CD1-CD2 4.13Å; L150-L187 HydrophobicContact CD2-CD2 4.27Å; L150-L187 HydrophobicContact CG-CD2 4.32Å; S151-L187 WeakPolarHBondContact O-CA 3.1Å; L152-L187 HydrophobicContact CD2-CD2 4.37Å; L187-D189 VanDerWaalsContact C-N 3.28Å; L187-D189 PolarHBondContact O-N 2.79Å; L187-N190 HydrophobicContact CB-CB 4.5Å; L187-N190 PolarHBondContact O-N 2.97Å; L187-Y191 PolarHBondContact O-N 3.44Å; L187-Y191 VanDerWaalsContact O-N 3.12Å; L187-A208 HydrophobicContact CD2-CB 3.62Å; L187-A208 HydrophobicContact CG-CB 3.69Å
188E98.5Very high97.7Very high30 Ų3051.4 Ų51.414%0.1428%0.276CS..G310 helixtrans-49.9-48.5172.3-177.163.5-149.600111.3K121 S151 E154 N190 Y191 P192 Y193K121-E188 IonicContact NZ-OE2 3.54Å; K121-E188 PolarHBondContact NZ-OE2 3.14Å; S151-E188 PolarHBondContact O-N 3.46Å; E154-E188 VanDerWaalsContact OE2-OE2 3.07Å; E188-N190 PolarHBondContact O-N 2.89Å; E188-N190 VanDerWaalsContact O-N 3.11Å; E188-Y191 CarbonylContact O-C 3.09Å; E188-Y191 PolarHBondContact O-N 2.77Å; E188-Y191 VanDerWaalsContact O-N 3.15Å; E188-P192 VanDerWaalsContact O-CA 3.22Å; E188-P192 WeakPolarHBondContact O-CA 3.48Å; E188-P192 VanDerWaalsContact O-N 3.08Å; E188-Y193 VanDerWaalsContact OE1-CB 3.29Å; E188-Y193 WeakPolarHBondContact OE1-CB 3.36Å; E188-Y193 PolarHBondContact OE1-N 3.48Å
189D97.7Very high97.7Very high144 Ų14459.8 Ų59.877%0.7731%0.312SS*.G310 helixtrans-62.4-23.9-178.8-67.5-17.7000114L187L187-D189 VanDerWaalsContact C-N 3.28Å; L187-D189 PolarHBondContact O-N 2.79Å
190N97.9Very high97.7Very high97 Ų9762.5 Ų62.552%0.51933%0.33SS..G310 helixtrans-96.3-16.4-178.5-70.4-18.6000113M186 L187 E188M186-N190 HydrophobicContact CE-CB 3.87Å; L187-N190 HydrophobicContact CB-CB 4.5Å; L187-N190 PolarHBondContact O-N 2.97Å; E188-N190 PolarHBondContact O-N 2.89Å; E188-N190 VanDerWaalsContact O-N 3.11Å
191Y98.3Very high97.7Very high1 Ų163.5 Ų63.50%0.00433%0.333CS..SBendtrans-14676.6174.9-162.6-30.8000108.3S153 Q155 Q156 D159 M186 L187 E188 H201S153-Y191 VanDerWaalsContact CB-O 3.24Å; S153-Y191 WeakPolarHBondContact CB-O 3.44Å; S153-Y191 WeakPolarHBondContact OG-CB 3.07Å; S153-Y191 PolarHBondContact OG-O 2.69Å; Q155-Y191 HydrophobicContact CB-CD1 3.72Å; Q155-Y191 HydrophobicContact CB-CE1 3.79Å; Q155-Y191 HydrophobicContact CG-CD1 3.87Å; Q155-Y191 HydrophobicContact CG-CE1 3.5Å; Q155-Y191 VanDerWaalsContact CG-CE1 3.5Å; Q156-Y191 HydrophobicContact CB-CD2 3.76Å; Q156-Y191 HydrophobicContact CB-CE2 3.91Å; Q156-Y191 HydrophobicContact CB-CG 4.22Å; Q156-Y191 HydrophobicContact CG-CD2 4.12Å; Q156-Y191 HydrophobicContact CG-CE2 4.06Å; D159-Y191 VanDerWaalsContact CB-OH 3.26Å; D159-Y191 WeakPolarHBondContact CB-OH 3.42Å; D159-Y191 WeakPolarHBondContact OD2-CE1 3.38Å; D159-Y191 PolarHBondContact OD2-OH 3.46Å; M186-Y191 HydrophobicContact SD-CD2 3.92Å; L187-Y191 PolarHBondContact O-N 3.44Å; L187-Y191 VanDerWaalsContact O-N 3.12Å; E188-Y191 CarbonylContact O-C 3.09Å; E188-Y191 PolarHBondContact O-N 2.77Å; E188-Y191 VanDerWaalsContact O-N 3.15Å; Y191-H201 AromaticContact CD1-CE1 3.98Å; Y191-H201 AromaticContact CD1-NE2 3.49Å; Y191-H201 WeakPolarHBondContact CD1-NE2 3.25Å; Y191-H201 AromaticContact CE1-CD2 3.85Å; Y191-H201 AromaticContact CE1-CE1 3.15Å; Y191-H201 WeakPolarHBondContact CE1-CE1 3.34Å; Y191-H201 AromaticContact CE1-ND1 3.93Å; Y191-H201 AromaticContact CE1-NE2 3.09Å; Y191-H201 WeakPolarHBondContact CE1-NE2 3.2Å; Y191-H201 AromaticContact CE2-CD2 3.71Å; Y191-H201 AromaticContact CE2-NE2 3.84Å; Y191-H201 AromaticContact CZ-CD2 3.54Å; Y191-H201 AromaticContact CZ-CE1 3.3Å; Y191-H201 AromaticContact CZ-CG 3.76Å; Y191-H201 AromaticContact CZ-ND1 3.59Å; Y191-H201 AromaticContact CZ-NE2 3.28Å; Y191-H201 VanDerWaalsContact CZ-NE2 3.28Å; Y191-H201 PolarHBondContact OH-CE1 2.89Å; Y191-H201 VanDerWaalsContact OH-CE1 3.26Å; Y191-H201 PolarHBondContact OH-N 2.99Å; Y191-H201 PolarHBondContact OH-ND1 3.38Å; Y191-H201 VanDerWaalsContact OH-ND1 3.15Å
192P98.1Very high97.7Very high73 Ų7359.2 Ų59.247%0.47432%0.316SS..  trans-66.9153.5-170-22.335.1000114Q155 E188Q155-P192 VanDerWaalsContact CB-O 3.31Å; Q155-P192 WeakPolarHBondContact CB-O 3.34Å; Q155-P192 WeakPolarHBondContact CG-O 3.36Å; E188-P192 VanDerWaalsContact O-CA 3.22Å; E188-P192 WeakPolarHBondContact O-CA 3.48Å; E188-P192 VanDerWaalsContact O-N 3.08Å
193Y98.5Very high97.6Very high39 Ų3964.3 Ų64.315%0.15334%0.337CS..  trans-75.9123.4176.7-168.9-106.2000114.7Q123 C126 S128 F132 E154 Q155 V158 E188 A195Q123-Y193 WeakPolarHBondContact O-CE1 3.37Å; Q123-Y193 PolarHBondContact O-OH 3.39Å; C126-Y193 WeakPolarHBondContact CB-OH 3.22Å; S128-Y193 PolarHBondContact OG-OH 3.2Å; F132-Y193 HydrophobicContact CE2-CD2 4.34Å; F132-Y193 AromaticContact CE2-CE1 3.94Å; F132-Y193 HydrophobicContact CE2-CE1 3.94Å; F132-Y193 AromaticContact CE2-CE2 3.69Å; F132-Y193 HydrophobicContact CE2-CE2 3.69Å; F132-Y193 AromaticContact CE2-CZ 3.46Å; F132-Y193 VanDerWaalsContact CE2-CZ 3.46Å; F132-Y193 AromaticContact CZ-CD1 3.88Å; F132-Y193 HydrophobicContact CZ-CD1 3.88Å; F132-Y193 HydrophobicContact CZ-CD2 4.02Å; F132-Y193 AromaticContact CZ-CE1 3.65Å; F132-Y193 HydrophobicContact CZ-CE1 3.65Å; F132-Y193 AromaticContact CZ-CE2 3.81Å; F132-Y193 HydrophobicContact CZ-CE2 3.81Å; F132-Y193 HydrophobicContact CZ-CG 4.06Å; F132-Y193 AromaticContact CZ-CZ 3.62Å; E154-Y193 HydrophobicContact CB-CD2 3.85Å; E154-Y193 HydrophobicContact CB-CE2 4.11Å; Q155-Y193 HydrophobicContact CB-CD2 4.23Å; V158-Y193 HydrophobicContact CG2-CE2 4.33Å; E188-Y193 VanDerWaalsContact OE1-CB 3.29Å; E188-Y193 WeakPolarHBondContact OE1-CB 3.36Å; E188-Y193 PolarHBondContact OE1-N 3.48Å; Y193-A195 HydrophobicContact CD1-CB 4.25Å; Y193-A195 HydrophobicContact CE1-CB 3.5Å
194D97.5Very high97.4Very high74 Ų7467.4 Ų67.440%0.39635%0.347SS..  trans-114.2-5.4-174.5-10027.3000113.6K196D194-K196 HydrophobicContact CB-CG 4.36Å; D194-K196 PolarHBondContact O-N 3.34Å; D194-K196 IonicContact OD2-NZ 2.84Å; D194-K196 PolarHBondContact OD2-NZ 3.11Å
195A96.1Very high97.2Very high31 Ų3174.3 Ų74.326%0.25638%0.384SS..SBendtrans54.934.2177.100000114.7C126 Y193C126-A195 HydrophobicContact CB-CB 4.17Å; C126-A195 WeakPolarHBondContact CB-O 3.42Å; Y193-A195 HydrophobicContact CD1-CB 4.25Å; Y193-A195 HydrophobicContact CE1-CB 3.5Å
196K96.4Very high97.1Very high98 Ų9875.3 Ų75.343%0.42639%0.394SS..SBendtrans-154.4159.6177.472-159.9-172.1-147.10109.5Q155 C167 D194 E198Q155-K196 PolarHBondContact NE2-O 3.44Å; C167-K196 VanDerWaalsContact SG-CA 3.52Å; D194-K196 HydrophobicContact CB-CG 4.36Å; D194-K196 PolarHBondContact O-N 3.34Å; D194-K196 IonicContact OD2-NZ 2.84Å; D194-K196 PolarHBondContact OD2-NZ 3.11Å; K196-E198 HydrophobicContact CD-CG 4.46Å; K196-E198 VanDerWaalsContact CE-CG 3.5Å; K196-E198 WeakPolarHBondContact CE-OE1 3.26Å; K196-E198 HydrophobicContact CG-CG 3.92Å; K196-E198 IonicContact NZ-OE1 2.89Å; K196-E198 PolarHBondContact NZ-OE1 2.64Å; K196-E198 PolarHBondContact O-N 3.11Å
197N96.1Very high97Very high83 Ų8377 Ų7744%0.44441%0.405SS..  trans-73126.4173.6-64.6-25.8000110G166 C167G166-N197 WeakPolarHBondContact CA-OD1 3.4Å; C167-N197 PolarHBondContact N-OD1 3.14Å
198E97.7Very high97Very high69 Ų6976.4 Ų76.432%0.32241%0.407SS..  trans-124.7-179.3172.5-56.7-166123.400111.2D159 K196 H201D159-E198 WeakPolarHBondContact OD1-CA 3.13Å; D159-E198 PolarHBondContact OD1-N 2.86Å; K196-E198 HydrophobicContact CD-CG 4.46Å; K196-E198 VanDerWaalsContact CE-CG 3.5Å; K196-E198 WeakPolarHBondContact CE-OE1 3.26Å; K196-E198 HydrophobicContact CG-CG 3.92Å; K196-E198 IonicContact NZ-OE1 2.89Å; K196-E198 PolarHBondContact NZ-OE1 2.64Å; K196-E198 PolarHBondContact O-N 3.11Å; E198-H201 IonicContact OE2-CE1 3.96Å
199K97.8Very high97Very high183 Ų18375.1 Ų75.180%0.79640%0.401SS*.  trans-77.9128.8172-175.9-179.6177.1-177.40108.7H201K199-H201 PolarHBondContact O-N 3.27Å; K199-H201 VanDerWaalsContact O-N 3.16Å; K199-H201 PolarHBondContact O-ND1 3.35Å
200C98.1Very high97Very high57 Ų5773 Ų7339%0.38538%0.382SS..  trans-48.2122.8170.31800000111.5D159 C160D159-C200 HydrophobicContact CB-CB 4.41Å; D159-C200 WeakPolarHBondContact O-CB 3.49Å; C160-C200 HydrophobicContact CB-CB 3.84Å; C160-C200 WeakPolarHBondContact CB-SG 3.06Å; C160-C200 WeakPolarHBondContact SG-CA 3.38Å; C160-C200 WeakPolarHBondContact SG-CB 3.17Å; C160-C200 CovalentContact SG-SG 2.04Å; C160-C200 PolarHBondContact SG-SG 2.93Å
201H96.8Very high97Very high92 Ų9268.7 Ų68.743%0.42636%0.36SS..  trans-130.632.817856.7-96.9000112.2D159 Y191 E198 K199 K203D159-H201 IonicContact OD2-CE1 3.9Å; Y191-H201 AromaticContact CD1-CE1 3.98Å; Y191-H201 AromaticContact CD1-NE2 3.49Å; Y191-H201 WeakPolarHBondContact CD1-NE2 3.25Å; Y191-H201 AromaticContact CE1-CD2 3.85Å; Y191-H201 AromaticContact CE1-CE1 3.15Å; Y191-H201 WeakPolarHBondContact CE1-CE1 3.34Å; Y191-H201 AromaticContact CE1-ND1 3.93Å; Y191-H201 AromaticContact CE1-NE2 3.09Å; Y191-H201 WeakPolarHBondContact CE1-NE2 3.2Å; Y191-H201 AromaticContact CE2-CD2 3.71Å; Y191-H201 AromaticContact CE2-NE2 3.84Å; Y191-H201 AromaticContact CZ-CD2 3.54Å; Y191-H201 AromaticContact CZ-CE1 3.3Å; Y191-H201 AromaticContact CZ-CG 3.76Å; Y191-H201 AromaticContact CZ-ND1 3.59Å; Y191-H201 AromaticContact CZ-NE2 3.28Å; Y191-H201 VanDerWaalsContact CZ-NE2 3.28Å; Y191-H201 PolarHBondContact OH-CE1 2.89Å; Y191-H201 VanDerWaalsContact OH-CE1 3.26Å; Y191-H201 PolarHBondContact OH-N 2.99Å; Y191-H201 PolarHBondContact OH-ND1 3.38Å; Y191-H201 VanDerWaalsContact OH-ND1 3.15Å; E198-H201 IonicContact OE2-CE1 3.96Å; K199-H201 PolarHBondContact O-N 3.27Å; K199-H201 VanDerWaalsContact O-N 3.16Å; K199-H201 PolarHBondContact O-ND1 3.35Å; H201-K203 PolarHBondContact O-N 3.13Å
202L97.1Very high97Very high42 Ų4272.1 Ų72.122%0.2238%0.378CS..  trans-48.3128171.1171.861.2000111.3Q156 M182 M186 V207Q156-L202 HydrophobicContact CG-CD1 4.41Å; M182-L202 HydrophobicContact CB-CD2 3.88Å; M182-L202 HydrophobicContact CG-CD2 3.99Å; M182-L202 HydrophobicContact SD-CD2 4Å; M186-L202 HydrophobicContact CG-CD1 3.97Å; M186-L202 HydrophobicContact SD-CD1 3.77Å; L202-V207 HydrophobicContact CD1-CG2 4.21Å
203K95.9Very high96.9Very high138 Ų13870.1 Ų70.160%0.637%0.366SS*.  trans-108.7109.8169.9-64.9-178.7-176170.20108.4M186 H201 D205 G206M186-K203 HydrophobicContact CE-CB 4.27Å; M186-K203 HydrophobicContact SD-CB 4.36Å; H201-K203 PolarHBondContact O-N 3.13Å; K203-D205 WeakPolarHBondContact CB-OD1 3.46Å; K203-D205 PolarHBondContact O-N 3.05Å; K203-G206 WeakPolarHBondContact O-CA 3.06Å; K203-G206 PolarHBondContact O-N 3.16Å
204T93Very high96.8Very high111 Ų11170.1 Ų70.168%0.68137%0.371SS*.G310 helixtrans-64-26.5-172.7500000113.3G206T204-G206 VanDerWaalsContact C-N 3.25Å; T204-G206 PolarHBondContact O-N 2.91Å
205D94.7Very high96.6Very high146 Ų14667.6 Ų67.678%0.78136%0.359SS*.G310 helixtrans-73.7-12.7172.161.8-25.9000113.7K203K203-D205 WeakPolarHBondContact CB-OD1 3.46Å; K203-D205 PolarHBondContact O-N 3.05Å
206G94.9Very high96.5Very high20 Ų2068.3 Ų68.321%0.20636%0.358CS..G310 helixtrans-96.91.4176.100000115K203 T204 A208K203-G206 WeakPolarHBondContact O-CA 3.06Å; K203-G206 PolarHBondContact O-N 3.16Å; T204-G206 VanDerWaalsContact C-N 3.25Å; T204-G206 PolarHBondContact O-N 2.91Å; G206-A208 PolarHBondContact O-N 3.25Å
207V97.7Very high96.4Very high43 Ų4364.2 Ų64.226%0.26134%0.341SS..EExtended strand (participates in β ladder)trans-64125177.7170.70000110L202 V209L202-V207 HydrophobicContact CD1-CG2 4.21Å; V207-V209 WeakPolarHBondContact CG1-O 3.33Å
208A98.1Very high96.2Very high34 Ų3461.4 Ų61.428%0.28133%0.327SS..EExtended strand (participates in β ladder)trans-101.2-30.2-176.200000113.2L185 L187 G206L185-A208 PolarHBondContact O-N 2.8Å; L187-A208 HydrophobicContact CD2-CB 3.62Å; L187-A208 HydrophobicContact CG-CB 3.69Å; G206-A208 PolarHBondContact O-N 3.25Å
209V98.3Very high96Very high2 Ų263.6 Ų63.61%0.01234%0.337CS..EExtended strand (participates in β ladder)trans-140157.1-177.3-53.30000111.3V138 W142 L150 L152 G184 L185 V207V138-V209 HydrophobicContact CG1-CG2 3.98Å; W142-V209 HydrophobicContact CB-CG1 4.41Å; W142-V209 HydrophobicContact CD2-CB 3.78Å; W142-V209 HydrophobicContact CD2-CG1 3.49Å; W142-V209 VanDerWaalsContact CD2-CG1 3.49Å; W142-V209 HydrophobicContact CE3-CB 3.67Å; W142-V209 HydrophobicContact CE3-CG1 3.95Å; W142-V209 HydrophobicContact CG-CB 4.27Å; W142-V209 HydrophobicContact CG-CG1 3.66Å; W142-V209 HydrophobicContact CH2-CB 4.42Å; W142-V209 HydrophobicContact CZ2-CB 4.48Å; W142-V209 HydrophobicContact CZ2-CG1 4.17Å; W142-V209 HydrophobicContact CZ3-CB 4.04Å; L150-V209 HydrophobicContact CD1-CG1 3.74Å; L152-V209 HydrophobicContact CD1-CG2 3.59Å; L152-V209 HydrophobicContact CD2-CB 4.36Å; L152-V209 HydrophobicContact CD2-CG1 3.82Å; L152-V209 HydrophobicContact CD2-CG2 3.55Å; L152-V209 HydrophobicContact CG-CG2 4.23Å; G184-V209 CarbonylContact C-O 3.46Å; G184-V209 WeakPolarHBondContact CA-O 3.47Å; L185-V209 HydrophobicContact CB-CG2 3.84Å; L185-V209 PolarHBondContact N-O 3.31Å; L185-V209 PolarHBondContact O-N 3.48Å; V207-V209 WeakPolarHBondContact CG1-O 3.33Å
210Y98.1Very high95.9Very high99 Ų9958.7 Ų58.739%0.38832%0.319SS..  trans-132.4164.5172.767.1-92000110.5W142 I318W142-Y210 AromaticContact CH2-CD1 3.93Å; W142-Y210 HydrophobicContact CH2-CD1 3.93Å; W142-Y210 AromaticContact CH2-CE1 3.78Å; W142-Y210 HydrophobicContact CH2-CE1 3.78Å; W142-Y210 AromaticContact CZ3-CD1 3.77Å; W142-Y210 HydrophobicContact CZ3-CD1 3.77Å; W142-Y210 AromaticContact CZ3-CE1 3.76Å; W142-Y210 HydrophobicContact CZ3-CE1 3.76Å; W142-Y210 HydrophobicContact CZ3-CG 4.31Å; Y210-I318 HydrophobicContact CE2-CG2 4.13Å
211I98.4Very high95.8Very high8 Ų856.6 Ų56.64%0.04130%0.304CS..  trans-126.3150.9165.970.6-178.9000109V138 Y176 I179 I180 A316 I318V138-I211 HydrophobicContact CB-CG2 4.42Å; V138-I211 HydrophobicContact CG1-CG2 3.7Å; V138-I211 HydrophobicContact CG2-CG2 3.89Å; Y176-I211 HydrophobicContact CD1-CD1 3.79Å; Y176-I211 HydrophobicContact CG-CD1 4.15Å; I179-I211 HydrophobicContact CB-CD1 4.06Å; I179-I211 HydrophobicContact CB-CG1 4.37Å; I179-I211 HydrophobicContact CD1-CD1 4.39Å; I179-I211 HydrophobicContact CG2-CD1 3.99Å; I179-I211 HydrophobicContact CG2-CG1 3.86Å; I180-I211 HydrophobicContact CD1-CD1 4.44Å; I180-I211 HydrophobicContact CD1-CG1 4.25Å; I180-I211 HydrophobicContact CG1-CD1 4.13Å; I180-I211 HydrophobicContact CG1-CG1 3.63Å; I211-A316 HydrophobicContact CB-CB 4.21Å; I211-A316 HydrophobicContact CD1-CB 4Å; I211-A316 HydrophobicContact CG2-CB 3.81Å; I211-I318 HydrophobicContact CG2-CD1 4.35Å; I211-I318 HydrophobicContact CG2-CG1 4.27Å
212N97.4Very high95.7Very high72 Ų7255.7 Ų55.739%0.38531%0.305SS..SBendtrans-92-35.8-179.3-63.8106.9000112.4M317 I318 Y319N212-M317 PolarHBondContact N-O 3.38Å; N212-I318 WeakPolarHBondContact OD1-CA 3.47Å; N212-Y319 HydrophobicContact CB-CD2 3.47Å; N212-Y319 VanDerWaalsContact CB-CD2 3.47Å; N212-Y319 HydrophobicContact CB-CE2 3.71Å; N212-Y319 HydrophobicContact CB-CG 4.49Å; N212-Y319 PolarHBondContact OD1-N 3.3Å
213S96.7Very high95.7Very high31 Ų3155 Ų5522%0.21730%0.301CS..EExtended strand (participates in β ladder)trans-161.2-176.318069.70000110M317 Y319S213-M317 PolarHBondContact N-O 3.38Å; S213-M317 PolarHBondContact O-N 3.01Å; S213-M317 WeakPolarHBondContact OG-CB 3.18Å; S213-Y319 PolarHBondContact OG-OH 2.92Å
214S95.7Very high95.7Very high39 Ų3948.5 Ų48.527%0.27327%0.272SS..EExtended strand (participates in β ladder)trans-140155.3169.459.50000110.5S315S214-S315 CarbonylContact C-O 3.6Å; S214-S315 VanDerWaalsContact CA-O 3.27Å; S214-S315 WeakPolarHBondContact CA-O 3.3Å
215V94.5Very high95.9Very high22 Ų2243.3 Ų43.313%0.13324%0.24CC..EExtended strand (participates in β ladder)trans-121146.2177.4-660000111.4L217 W227 T314 S315 M317V215-L217 HydrophobicContact CG2-CD2 3.72Å; V215-W227 HydrophobicContact CG2-CH2 3.51Å; V215-W227 HydrophobicContact CG2-CZ2 3.77Å; V215-W227 HydrophobicContact CG2-CZ3 4.32Å; V215-T314 VanDerWaalsContact O-CA 3.24Å; V215-T314 WeakPolarHBondContact O-CA 3.18Å; V215-S315 PolarHBondContact N-O 2.97Å; V215-S315 PolarHBondContact O-N 3.45Å; V215-S315 VanDerWaalsContact O-N 3.08Å; V215-M317 HydrophobicContact CG1-CG 3.93Å; V215-M317 HydrophobicContact CG1-SD 4.4Å; V215-M317 HydrophobicContact CG2-CG 4.33Å; V215-M317 HydrophobicContact CG2-SD 4.12Å
216N93.4Very high96Very high45 Ų4536.3 Ų36.324%0.24120%0.203CC..EExtended strand (participates in β ladder)trans-88133159.4-65.2-27.6000107.8P95 T96 T314P95-N216 WeakPolarHBondContact CA-O 3.43Å; T96-N216 PolarHBondContact N-O 3Å; N216-T314 WeakPolarHBondContact OD1-CG2 3.28Å
217L93.8Very high96.1Very high13 Ų1335.7 Ų35.77%0.06819%0.194CC..BIsolated β-bridgetrans-95.7163.2178.3-56-178.9000110.7V215 L224 W227 I234 A313V215-L217 HydrophobicContact CG2-CD2 3.72Å; L217-L224 HydrophobicContact CB-CD2 3.68Å; L217-L224 HydrophobicContact CD1-CD2 3.87Å; L217-L224 HydrophobicContact CG-CD2 4.44Å; L217-W227 HydrophobicContact CD1-CB 4.31Å; L217-W227 HydrophobicContact CD1-CD2 3.77Å; L217-W227 HydrophobicContact CD1-CE3 4.38Å; L217-W227 HydrophobicContact CD1-CG 3.71Å; L217-W227 HydrophobicContact CD2-CD2 3.58Å; L217-W227 HydrophobicContact CD2-CE3 3.37Å; L217-W227 HydrophobicContact CD2-CG 4.35Å; L217-W227 HydrophobicContact CD2-CH2 3.84Å; L217-W227 HydrophobicContact CD2-CZ2 4Å; L217-W227 HydrophobicContact CD2-CZ3 3.51Å; L217-W227 HydrophobicContact CG-CD2 4.35Å; L217-I234 HydrophobicContact CD1-CB 4.47Å; L217-I234 HydrophobicContact CD1-CD1 3.75Å; L217-I234 HydrophobicContact CD1-CG1 3.92Å; L217-I234 HydrophobicContact CD1-CG2 3.71Å; L217-A313 HydrophobicContact CB-CB 3.99Å; L217-A313 PolarHBondContact N-O 3.21Å
218T93Very high96.1Very high23 Ų2333.6 Ų33.614%0.14118%0.182CC..PPolyproline II helixtrans-66.8164.6174.962.90000111.5P95 D220 E223 L224P95-T218 HydrophobicContact CB-CG2 3.87Å; T218-D220 VanDerWaalsContact C-N 3.26Å; T218-E223 WeakPolarHBondContact CB-OE2 3.38Å; T218-E223 WeakPolarHBondContact CG2-OE2 3.16Å; T218-E223 WeakPolarHBondContact OG1-CB 3.24Å; T218-E223 PolarHBondContact OG1-OE2 2.85Å; T218-L224 WeakPolarHBondContact O-CD2 3.5Å
219Q93.7Very high96Very high116 Ų11636.1 Ų36.154%0.54219%0.185SC..SBendtrans-85-0.3172.1-56.6-170.9-18.700112.5E221 N310 T311Q219-E221 PolarHBondContact O-N 2.84Å; Q219-N310 WeakPolarHBondContact CA-O 3.31Å; Q219-N310 WeakPolarHBondContact CG-O 3.34Å; Q219-N310 PolarHBondContact O-ND2 3.33Å; Q219-T311 PolarHBondContact NE2-O 3.31Å; Q219-T311 VanDerWaalsContact NE2-O 3.15Å
220D94.7Very high95.8Very high79 Ų7939.7 Ų39.742%0.42220%0.201SC..  trans-74.9110.6178.8-172.1-34.9000109.4T218 T222 E223 L224T218-D220 VanDerWaalsContact C-N 3.26Å; D220-T222 PolarHBondContact O-N 3.39Å; D220-T222 VanDerWaalsContact O-N 3.14Å; D220-T222 WeakPolarHBondContact OD1-CA 3.41Å; D220-T222 WeakPolarHBondContact OD1-CB 3.23Å; D220-T222 PolarHBondContact OD1-N 3.36Å; D220-T222 PolarHBondContact OD1-OG1 2.85Å; D220-E223 HydrophobicContact CB-CB 4.16Å; D220-E223 HydrophobicContact CB-CG 3.91Å; D220-E223 WeakPolarHBondContact O-CB 3.34Å; D220-E223 PolarHBondContact O-N 3.44Å; D220-E223 PolarHBondContact OD1-N 2.93Å; D220-L224 WeakPolarHBondContact O-CG 3.38Å; D220-L224 PolarHBondContact O-N 3.07Å
221E96.7Very high95.6Very high14 Ų1436.1 Ų36.17%0.06519%0.189CC..Hα-helixtrans-63.9-18.2-178.5-70.8-170.310200113.7Q219 A225 W282 R302 G303 D304 G305 N310Q219-E221 PolarHBondContact O-N 2.84Å; E221-A225 PolarHBondContact O-N 3.44Å; E221-W282 HydrophobicContact CB-CZ2 3.8Å; E221-W282 HydrophobicContact CG-CZ2 3.97Å; E221-W282 VanDerWaalsContact O-CH2 3.3Å; E221-W282 WeakPolarHBondContact O-CH2 3.02Å; E221-W282 PolarHBondContact OE1-NE1 3.41Å; E221-R302 HydrophobicContact CB-CG 4.26Å; E221-G303 VanDerWaalsContact CD-N 3.33Å; E221-G303 PolarHBondContact OE1-N 3.15Å; E221-G303 WeakPolarHBondContact OE2-CA 3.44Å; E221-G303 PolarHBondContact OE2-N 3.16Å; E221-D304 PolarHBondContact OE2-N 3.31Å; E221-G305 PolarHBondContact OE2-N 3.5Å; E221-N310 HydrophobicContact CG-CB 3.78Å
222T95.2Very high95.5Very high72 Ų7235.7 Ų35.744%0.44219%0.187SC..Hα-helixtrans-72.9-42.6171.1-38.20000110.4V102 D220 A225 A226V102-T222 HydrophobicContact CG1-CG2 3.38Å; D220-T222 PolarHBondContact O-N 3.39Å; D220-T222 VanDerWaalsContact O-N 3.14Å; D220-T222 WeakPolarHBondContact OD1-CA 3.41Å; D220-T222 WeakPolarHBondContact OD1-CB 3.23Å; D220-T222 PolarHBondContact OD1-N 3.36Å; D220-T222 PolarHBondContact OD1-OG1 2.85Å; T222-A225 PolarHBondContact O-N 2.93Å; T222-A226 PolarHBondContact O-N 3.2Å
223E95.5Very high95.6Very high29 Ų2932.3 Ų32.314%0.13617%0.168CC..Hα-helixtrans-68.2-37.9175.3-64-160.6172.500112.1S97 V102 T218 D220 A225 A226 W227S97-E223 VanDerWaalsContact CA-OE2 3.25Å; S97-E223 WeakPolarHBondContact CA-OE2 3.5Å; S97-E223 WeakPolarHBondContact CB-OE2 3.25Å; S97-E223 VanDerWaalsContact OG-CD 3.3Å; S97-E223 PolarHBondContact OG-OE1 3.21Å; S97-E223 PolarHBondContact OG-OE2 2.94Å; V102-E223 HydrophobicContact CG2-CB 4.5Å; V102-E223 HydrophobicContact CG2-CG 3.75Å; T218-E223 WeakPolarHBondContact CB-OE2 3.38Å; T218-E223 WeakPolarHBondContact CG2-OE2 3.16Å; T218-E223 WeakPolarHBondContact OG1-CB 3.24Å; T218-E223 PolarHBondContact OG1-OE2 2.85Å; D220-E223 HydrophobicContact CB-CB 4.16Å; D220-E223 HydrophobicContact CB-CG 3.91Å; D220-E223 WeakPolarHBondContact O-CB 3.34Å; D220-E223 PolarHBondContact O-N 3.44Å; D220-E223 PolarHBondContact OD1-N 2.93Å; E223-A225 VanDerWaalsContact C-N 3.31Å; E223-A225 PolarHBondContact O-N 2.78Å; E223-A226 CarbonylContact O-C 3.58Å; E223-A226 PolarHBondContact O-N 2.75Å; E223-W227 PolarHBondContact O-N 2.89Å
224L97Very high95.7Very high1 Ų130.8 Ų30.81%0.00516%0.158CC..Hα-helixtrans-62.2-39.2174.5-64.6-179.7000111.7L217 T218 D220 A226 W227 L228 I234 W282 N310 A313L217-L224 HydrophobicContact CB-CD2 3.68Å; L217-L224 HydrophobicContact CD1-CD2 3.87Å; L217-L224 HydrophobicContact CG-CD2 4.44Å; T218-L224 WeakPolarHBondContact O-CD2 3.5Å; D220-L224 WeakPolarHBondContact O-CG 3.38Å; D220-L224 PolarHBondContact O-N 3.07Å; L224-A226 VanDerWaalsContact C-N 3.35Å; L224-W227 PolarHBondContact O-N 2.92Å; L224-L228 PolarHBondContact O-N 2.83Å; L224-I234 HydrophobicContact CB-CD1 4.21Å; L224-I234 HydrophobicContact CD2-CD1 4.07Å; L224-I234 WeakPolarHBondContact O-CD1 3.42Å; L224-W282 HydrophobicContact CB-CH2 3.82Å; L224-W282 HydrophobicContact CB-CZ2 4.15Å; L224-N310 HydrophobicContact CD1-CB 3.84Å; L224-A313 HydrophobicContact CD1-CB 4.32Å; L224-A313 HydrophobicContact CD2-CB 3.68Å
225A97.4Very high95.8Very high1 Ų129 Ų291%0.00815%0.145CC..Hα-helixtrans-65.8-40.7174.800000111.1I105 E221 T222 E223 W227 L228 Y229 Y272 W282I105-A225 HydrophobicContact CD1-CB 3.69Å; E221-A225 PolarHBondContact O-N 3.44Å; T222-A225 PolarHBondContact O-N 2.93Å; E223-A225 VanDerWaalsContact C-N 3.31Å; E223-A225 PolarHBondContact O-N 2.78Å; A225-W227 VanDerWaalsContact C-N 3.32Å; A225-W227 PolarHBondContact O-N 3.01Å; A225-L228 PolarHBondContact O-N 2.99Å; A225-Y229 PolarHBondContact O-N 3.29Å; A225-Y229 VanDerWaalsContact O-N 3.1Å; A225-Y272 HydrophobicContact CB-CD1 3.94Å; A225-Y272 HydrophobicContact CB-CE1 3.96Å; A225-Y272 HydrophobicContact CB-CG 4.24Å; A225-Y272 WeakPolarHBondContact O-CE1 3.33Å; A225-W282 HydrophobicContact CB-CH2 3.89Å; A225-W282 HydrophobicContact CB-CZ3 4.01Å
226A96.6Very high95.9Very high0 Ų028 Ų280%014%0.139CC..Hα-helixtrans-64.1-37.4174.900000112.4L98 V102 I105 T222 E223 L224 Y229 H230L98-A226 HydrophobicContact CD1-CB 3.8Å; V102-A226 HydrophobicContact CG2-CB 4.5Å; I105-A226 HydrophobicContact CD1-CB 4.31Å; I105-A226 HydrophobicContact CG2-CB 4.2Å; T222-A226 PolarHBondContact O-N 3.2Å; E223-A226 CarbonylContact O-C 3.58Å; E223-A226 PolarHBondContact O-N 2.75Å; L224-A226 VanDerWaalsContact C-N 3.35Å; A226-Y229 PolarHBondContact O-N 2.82Å; A226-H230 PolarHBondContact O-CD2 3Å; A226-H230 PolarHBondContact O-N 3.42Å
227W96.6Very high96Very high6 Ų625.8 Ų25.82%0.02313%0.128CC..Hα-helixtrans-63.6-44.2174-175.2-77.5000112T96 L98 V215 L217 E223 L224 A225 Y229 N231 S232 I234 M317T96-W227 HydrophobicContact CG2-CZ3 3.91Å; L98-W227 HydrophobicContact CD1-CB 3.86Å; L98-W227 HydrophobicContact CD1-CE3 4.16Å; L98-W227 VanDerWaalsContact CD1-N 3.25Å; L98-W227 HydrophobicContact CD2-CE3 3.89Å; L98-W227 HydrophobicContact CD2-CZ3 4.16Å; L98-W227 HydrophobicContact CG-CE3 4.11Å; V215-W227 HydrophobicContact CG2-CH2 3.51Å; V215-W227 HydrophobicContact CG2-CZ2 3.77Å; V215-W227 HydrophobicContact CG2-CZ3 4.32Å; L217-W227 HydrophobicContact CD1-CB 4.31Å; L217-W227 HydrophobicContact CD1-CD2 3.77Å; L217-W227 HydrophobicContact CD1-CE3 4.38Å; L217-W227 HydrophobicContact CD1-CG 3.71Å; L217-W227 HydrophobicContact CD2-CD2 3.58Å; L217-W227 HydrophobicContact CD2-CE3 3.37Å; L217-W227 HydrophobicContact CD2-CG 4.35Å; L217-W227 HydrophobicContact CD2-CH2 3.84Å; L217-W227 HydrophobicContact CD2-CZ2 4Å; L217-W227 HydrophobicContact CD2-CZ3 3.51Å; L217-W227 HydrophobicContact CG-CD2 4.35Å; E223-W227 PolarHBondContact O-N 2.89Å; L224-W227 PolarHBondContact O-N 2.92Å; A225-W227 VanDerWaalsContact C-N 3.32Å; A225-W227 PolarHBondContact O-N 3.01Å; W227-Y229 PolarHBondContact O-N 2.81Å; W227-N231 HydrophobicContact CD2-CB 3.95Å; W227-N231 HydrophobicContact CG-CB 4.17Å; W227-N231 WeakPolarHBondContact CH2-ND2 3.45Å; W227-N231 HydrophobicContact CZ2-CB 4.01Å; W227-N231 VanDerWaalsContact CZ3-ND2 3.34Å; W227-N231 WeakPolarHBondContact CZ3-ND2 3.42Å; W227-N231 CarbonylContact O-C 3.51Å; W227-N231 VanDerWaalsContact O-CA 3.31Å; W227-N231 WeakPolarHBondContact O-CA 3.4Å; W227-N231 WeakPolarHBondContact O-CB 3.47Å; W227-N231 PolarHBondContact O-N 3.37Å; W227-S232 PolarHBondContact O-N 3.49Å; W227-I234 HydrophobicContact CB-CD1 4.02Å; W227-I234 VanDerWaalsContact CD1-CG1 3.42Å; W227-I234 HydrophobicContact CG-CD1 4.05Å; W227-I234 HydrophobicContact CG-CG1 4.28Å; W227-M317 HydrophobicContact CH2-CE 4.35Å; W227-M317 HydrophobicContact CH2-SD 3.69Å; W227-M317 HydrophobicContact CZ2-SD 3.78Å
228L97.4Very high96.1Very high0 Ų025.2 Ų25.20%012%0.124CC..Hα-helixtrans-57-41.6174.5-76.1166.5000111.5F109 W111 L224 A225 S232 I234 L269 Y272 W282F109-L228 WeakPolarHBondContact CE1-O 3.2Å; W111-L228 VanDerWaalsContact CE2-O 3.29Å; W111-L228 WeakPolarHBondContact CZ2-O 3.34Å; W111-L228 PolarHBondContact NE1-O 3.18Å; L224-L228 PolarHBondContact O-N 2.83Å; A225-L228 PolarHBondContact O-N 2.99Å; L228-S232 WeakPolarHBondContact CA-O 3.43Å; L228-I234 HydrophobicContact CD1-CD1 4.5Å; L228-I234 HydrophobicContact CD2-CD1 4.19Å; L228-I234 HydrophobicContact CD2-CG1 4.01Å; L228-I234 HydrophobicContact CG-CD1 3.82Å; L228-I234 HydrophobicContact CG-CG1 4.19Å; L228-L269 HydrophobicContact CD1-CB 4.16Å; L228-L269 HydrophobicContact CD2-CB 4.12Å; L228-L269 VanDerWaalsContact CD2-O 3.29Å; L228-L269 WeakPolarHBondContact CD2-O 3.31Å; L228-Y272 HydrophobicContact CB-CD1 4.14Å; L228-Y272 HydrophobicContact CB-CE1 4.15Å; L228-Y272 HydrophobicContact CD1-CD1 3.95Å; L228-W282 HydrophobicContact CD1-CE3 3.86Å; L228-W282 HydrophobicContact CD1-CZ3 3.54Å
229Y96.5Very high96.2Very high87 Ų8724.7 Ų24.734%0.34112%0.121SC..Hα-helixtrans-72.4-47.4-178.5179.3-113.2000113.6I105 P106 F109 A225 A226 W227I105-Y229 HydrophobicContact CB-CD1 4.01Å; I105-Y229 HydrophobicContact CB-CG 4.16Å; I105-Y229 HydrophobicContact CG2-CD1 3.53Å; I105-Y229 HydrophobicContact CG2-CE1 4.31Å; I105-Y229 HydrophobicContact CG2-CG 4.03Å; P106-Y229 VanDerWaalsContact CD-CE2 3.42Å; P106-Y229 HydrophobicContact CG-CD2 3.83Å; P106-Y229 HydrophobicContact CG-CE2 3.7Å; F109-Y229 AromaticContact CD2-CD2 3.5Å; F109-Y229 HydrophobicContact CD2-CD2 3.5Å; F109-Y229 HydrophobicContact CD2-CE2 4.05Å; F109-Y229 AromaticContact CE2-CD2 3.66Å; F109-Y229 HydrophobicContact CE2-CD2 3.66Å; F109-Y229 HydrophobicContact CE2-CE2 4.12Å; F109-Y229 HydrophobicContact CG-CD2 4.05Å; F109-Y229 HydrophobicContact CZ-CD2 4.35Å; A225-Y229 PolarHBondContact O-N 3.29Å; A225-Y229 VanDerWaalsContact O-N 3.1Å; A226-Y229 PolarHBondContact O-N 2.82Å; W227-Y229 PolarHBondContact O-N 2.81Å
230H93.6Very high96.4Very high76 Ų7619.1 Ų19.135%0.35210%0.095SC..Hα-helixtrans-89.3-29.7-172.7-71.1-61.9000114E101 R144 A226E101-H230 PolarHBondContact O-NE2 2.9Å; R144-H230 PolarHBondContact NH1-O 2.77Å; A226-H230 PolarHBondContact O-CD2 3Å; A226-H230 PolarHBondContact O-N 3.42Å
231N94.3Very high96.3Very high24 Ų2417.5 Ų17.513%0.1289%0.086CC..SBendtrans-107.2-103.7-179.1-79-50.3000111.2W111 R144 W227W111-N231 WeakPolarHBondContact CZ2-O 3.49Å; R144-N231 WeakPolarHBondContact CD-O 3.48Å; R144-N231 VanDerWaalsContact CZ-OD1 3.31Å; R144-N231 PolarHBondContact NH1-OD1 3.36Å; R144-N231 PolarHBondContact NH2-OD1 3.01Å; W227-N231 HydrophobicContact CD2-CB 3.95Å; W227-N231 HydrophobicContact CG-CB 4.17Å; W227-N231 WeakPolarHBondContact CH2-ND2 3.45Å; W227-N231 HydrophobicContact CZ2-CB 4.01Å; W227-N231 VanDerWaalsContact CZ3-ND2 3.34Å; W227-N231 WeakPolarHBondContact CZ3-ND2 3.42Å; W227-N231 CarbonylContact O-C 3.51Å; W227-N231 VanDerWaalsContact O-CA 3.31Å; W227-N231 WeakPolarHBondContact O-CA 3.4Å; W227-N231 WeakPolarHBondContact O-CB 3.47Å; W227-N231 PolarHBondContact O-N 3.37Å
232S96.6Very high96.3Very high0 Ų016.9 Ų16.90%08%0.083CC..  trans-153.6-170.6-172.8-161.80000109.1W111 S140 Q141 W227 L228W111-S232 VanDerWaalsContact NE1-C 3.34Å; S140-S232 WeakPolarHBondContact CB-OG 3.31Å; S140-S232 PolarHBondContact O-OG 2.9Å; Q141-S232 VanDerWaalsContact CD-CB 3.45Å; Q141-S232 PolarHBondContact N-OG 2.91Å; W227-S232 PolarHBondContact O-N 3.49Å; L228-S232 WeakPolarHBondContact CA-O 3.43Å
233T98.7Very high96.4Very high0 Ų013.5 Ų13.50%06%0.062CC..  trans-56.9165.3171.961.50000111.7W111 V117 N137 S140 L268 L269 V270W111-T233 HydrophobicContact CB-CG2 4.08Å; W111-T233 HydrophobicContact CG-CG2 3.98Å; V117-T233 HydrophobicContact CG2-CG2 4.24Å; N137-T233 PolarHBondContact ND2-O 3.34Å; S140-T233 WeakPolarHBondContact CB-OG1 3.2Å; S140-T233 WeakPolarHBondContact OG-CG2 3.4Å; S140-T233 PolarHBondContact OG-OG1 3.11Å; T233-L268 HydrophobicContact CG2-CD2 4.24Å; T233-L268 HydrophobicContact CG2-CG 4.49Å; T233-L269 VanDerWaalsContact CA-O 3.25Å; T233-L269 WeakPolarHBondContact CA-O 3.34Å; T233-L269 WeakPolarHBondContact CB-O 3.34Å; T233-V270 HydrophobicContact CG2-CB 4.27Å; T233-V270 HydrophobicContact CG2-CG1 3.98Å
234I98.6Very high96.5Very high0 Ų012.2 Ų12.20%06%0.056CC..EExtended strand (participates in β ladder)trans-132128.5-176.5-53.9171.6000109.2L217 L224 W227 L228 V236 L268 L269 A313L217-I234 HydrophobicContact CD1-CB 4.47Å; L217-I234 HydrophobicContact CD1-CD1 3.75Å; L217-I234 HydrophobicContact CD1-CG1 3.92Å; L217-I234 HydrophobicContact CD1-CG2 3.71Å; L224-I234 HydrophobicContact CB-CD1 4.21Å; L224-I234 HydrophobicContact CD2-CD1 4.07Å; L224-I234 WeakPolarHBondContact O-CD1 3.42Å; W227-I234 HydrophobicContact CB-CD1 4.02Å; W227-I234 VanDerWaalsContact CD1-CG1 3.42Å; W227-I234 HydrophobicContact CG-CD1 4.05Å; W227-I234 HydrophobicContact CG-CG1 4.28Å; L228-I234 HydrophobicContact CD1-CD1 4.5Å; L228-I234 HydrophobicContact CD2-CD1 4.19Å; L228-I234 HydrophobicContact CD2-CG1 4.01Å; L228-I234 HydrophobicContact CG-CD1 3.82Å; L228-I234 HydrophobicContact CG-CG1 4.19Å; I234-V236 HydrophobicContact CB-CG1 4.35Å; I234-V236 HydrophobicContact CG2-CG1 3.7Å; I234-L268 WeakPolarHBondContact O-CA 3.4Å; I234-L269 HydrophobicContact CB-CB 4.18Å; I234-L269 HydrophobicContact CB-CD1 4.47Å; I234-L269 PolarHBondContact N-O 3.09Å; I234-L269 PolarHBondContact O-N 2.57Å; I234-A313 HydrophobicContact CG2-CB 3.92Å
235S98.4Very high96.5Very high0 Ų012.2 Ų12.20%06%0.056CC..EExtended strand (participates in β ladder)trans-77.5121.8168.1-72.60000109.6S133 N137 Y176 T314S133-S235 VanDerWaalsContact C-OG 3.27Å; S133-S235 PolarHBondContact O-OG 2.68Å; S133-S235 VanDerWaalsContact OG-CA 3.3Å; S133-S235 WeakPolarHBondContact OG-CA 3.12Å; S133-S235 WeakPolarHBondContact OG-CB 3.29Å; S133-S235 PolarHBondContact OG-OG 2.94Å; N137-S235 WeakPolarHBondContact CB-OG 3.5Å; Y176-S235 VanDerWaalsContact OH-CB 3.32Å; Y176-S235 WeakPolarHBondContact OH-CB 3.33Å; Y176-S235 PolarHBondContact OH-OG 3.47Å; S235-T314 PolarHBondContact N-O 3.15Å; S235-T314 PolarHBondContact O-N 3.39Å; S235-T314 PolarHBondContact O-OG1 3.32Å
236V97Very high96.6Very high1 Ų112.1 Ų12.11%0.0066%0.056CC..EExtended strand (participates in β ladder)trans-127.8150.8-178.5-60.50000112.9I234 A266 V267 L269 I309 V312 A313I234-V236 HydrophobicContact CB-CG1 4.35Å; I234-V236 HydrophobicContact CG2-CG1 3.7Å; V236-A266 WeakPolarHBondContact O-CA 3.36Å; V236-V267 HydrophobicContact CG2-CG2 3.56Å; V236-V267 WeakPolarHBondContact CG2-O 3.46Å; V236-V267 PolarHBondContact N-O 3.37Å; V236-V267 PolarHBondContact O-N 2.87Å; V236-L269 HydrophobicContact CB-CG 4.44Å; V236-L269 HydrophobicContact CG1-CD1 3.66Å; V236-L269 HydrophobicContact CG1-CG 3.75Å; V236-L269 HydrophobicContact CG2-CD1 4.41Å; V236-L269 HydrophobicContact CG2-CD2 4.03Å; V236-L269 HydrophobicContact CG2-CG 3.77Å; V236-I309 HydrophobicContact CB-CG1 4.39Å; V236-I309 WeakPolarHBondContact CB-O 3.22Å; V236-I309 HydrophobicContact CG2-CD1 4.38Å; V236-I309 HydrophobicContact CG2-CG1 3.7Å; V236-V312 CarbonylContact C-O 3.6Å; V236-V312 WeakPolarHBondContact CA-O 3.37Å; V236-A313 HydrophobicContact CG1-CB 4.01Å
237G95.4Very high96.7Very high0 Ų015 Ų150%07%0.069CC..EExtended strand (participates in β ladder)trans-95.4144.6168.700000112.6H265 I309 V312G237-H265 CarbonylContact C-O 3.43Å; G237-H265 WeakPolarHBondContact CA-O 3.38Å; G237-I309 WeakPolarHBondContact O-CA 3.43Å; G237-V312 PolarHBondContact N-O 3.49Å
238M95.7Very high96.8Very high0 Ų019.1 Ų19.10%09%0.088CC..EExtended strand (participates in β ladder)trans-150.8166.1172.366.2173.9-65.600112.2A240 L243 L263 D264 H265 V267 F298 M300 C307 I309M238-A240 HydrophobicContact CE-CB 4.5Å; M238-A240 HydrophobicContact CG-CB 4.36Å; M238-L243 HydrophobicContact CE-CD1 3.61Å; M238-L243 HydrophobicContact CE-CG 4.34Å; M238-L243 HydrophobicContact SD-CD1 4.04Å; M238-L263 WeakPolarHBondContact O-CA 3.18Å; M238-D264 PolarHBondContact O-N 2.96Å; M238-H265 HydrophobicContact CG-CB 4.49Å; M238-H265 PolarHBondContact N-O 3.21Å; M238-H265 PolarHBondContact O-N 3.34Å; M238-V267 HydrophobicContact CG-CG2 4.18Å; M238-V267 HydrophobicContact SD-CG2 3.93Å; M238-F298 HydrophobicContact CE-CE2 4.26Å; M238-F298 HydrophobicContact CE-CZ 4.38Å; M238-F298 HydrophobicContact SD-CE2 3.93Å; M238-F298 HydrophobicContact SD-CZ 3.53Å; M238-F298 VanDerWaalsContact SD-CZ 3.53Å; M238-M300 HydrophobicContact CE-CE 3.48Å; M238-M300 VanDerWaalsContact CE-CE 3.48Å; M238-C307 CarbonylContact C-O 3.48Å; M238-C307 WeakPolarHBondContact CA-O 3.35Å; M238-C307 HydrophobicContact CB-CB 4.4Å; M238-C307 HydrophobicContact CE-CB 3.64Å; M238-I309 HydrophobicContact CB-CB 4.39Å; M238-I309 HydrophobicContact SD-CD1 4.4Å
239N95.4Very high96.8Very high12 Ų1219.3 Ų19.36%0.0649%0.09CC..  trans-82.5115.9161.6-174.8-76.7000109C258 S259 L262 D264 C307N239-C258 PolarHBondContact O-SG 2.88Å; N239-S259 WeakPolarHBondContact CB-O 3.43Å; N239-L262 WeakPolarHBondContact CB-O 3.21Å; N239-L262 PolarHBondContact ND2-O 3.46Å; N239-D264 WeakPolarHBondContact CA-OD1 3.46Å; N239-D264 PolarHBondContact ND2-OD2 2.86Å; N239-C307 PolarHBondContact N-O 3.4Å
240A96.3Very high96.9Very high0 Ų015.1 Ų15.10%07%0.074CC..  trans-112.66.6-173.600000113.8L81 M238 L242 L243 D264 H265 W288L81-A240 HydrophobicContact CD2-CB 3.98Å; M238-A240 HydrophobicContact CE-CB 4.5Å; M238-A240 HydrophobicContact CG-CB 4.36Å; A240-L242 VanDerWaalsContact C-N 3.29Å; A240-L242 PolarHBondContact O-N 3.15Å; A240-L243 HydrophobicContact CB-CB 4.47Å; A240-L243 HydrophobicContact CB-CD1 4.07Å; A240-L243 HydrophobicContact CB-CG 4.47Å; A240-L243 WeakPolarHBondContact O-CA 3.46Å; A240-L243 WeakPolarHBondContact O-CB 3.38Å; A240-L243 PolarHBondContact O-N 3.19Å; A240-D264 PolarHBondContact N-OD1 2.81Å; A240-H265 HydrophobicContact CB-CB 3.42Å; A240-H265 VanDerWaalsContact CB-CB 3.42Å; A240-W288 HydrophobicContact CB-CH2 4.04Å; A240-W288 HydrophobicContact CB-CZ2 4.42Å
241L94.3Very high97.1Very high44 Ų4411.5 Ų11.523%0.236%0.057CC..G310 helixtrans-56.7-40.8-174.8-165.464000113.3T73 F76 A77 L81 L243 Q244T73-L241 HydrophobicContact CG2-CD1 3.74Å; T73-L241 HydrophobicContact CG2-CD2 3.72Å; T73-L241 HydrophobicContact CG2-CG 4.06Å; F76-L241 HydrophobicContact CD1-CD1 4.25Å; A77-L241 HydrophobicContact CB-CD1 4.33Å; L81-L241 HydrophobicContact CD1-CD1 3.89Å; L241-L243 PolarHBondContact O-N 3.15Å; L241-Q244 WeakPolarHBondContact O-CB 3.46Å; L241-Q244 PolarHBondContact O-N 3.07Å
242L95.3Very high97.3Very high2 Ų211 Ų111%0.015%0.054CC..G310 helixtrans-68.5-25.3177.6111.3152.7000113Y53 Y63 A240 Q244 F245 P253 C258Y53-L242 HydrophobicContact CD2-CB 4.14Å; Y53-L242 HydrophobicContact CD2-CD1 4.42Å; Y53-L242 HydrophobicContact CE2-CB 3.8Å; Y53-L242 HydrophobicContact CG-CD1 4.38Å; Y63-L242 HydrophobicContact CE1-CD1 3.81Å; Y63-L242 HydrophobicContact CE1-CG 3.94Å; Y63-L242 WeakPolarHBondContact OH-CD1 3.29Å; A240-L242 VanDerWaalsContact C-N 3.29Å; A240-L242 PolarHBondContact O-N 3.15Å; L242-Q244 PolarHBondContact O-N 3.15Å; L242-Q244 VanDerWaalsContact O-N 3.13Å; L242-F245 PolarHBondContact O-N 3.39Å; L242-P253 HydrophobicContact CD1-CB 3.57Å; L242-P253 HydrophobicContact CD1-CG 3.93Å; L242-P253 HydrophobicContact CD2-CG 3.97Å; L242-C258 HydrophobicContact CD2-CB 4.44Å
243L97.5Very high97.3Very high0 Ų011.3 Ų11.30%06%0.056CC..G310 helixtrans-66.8-11.6-178.4-66-173.9000112.1M238 A240 L241 F245 Y246 W288 W292 F298 M300M238-L243 HydrophobicContact CE-CD1 3.61Å; M238-L243 HydrophobicContact CE-CG 4.34Å; M238-L243 HydrophobicContact SD-CD1 4.04Å; A240-L243 HydrophobicContact CB-CB 4.47Å; A240-L243 HydrophobicContact CB-CD1 4.07Å; A240-L243 HydrophobicContact CB-CG 4.47Å; A240-L243 WeakPolarHBondContact O-CA 3.46Å; A240-L243 WeakPolarHBondContact O-CB 3.38Å; A240-L243 PolarHBondContact O-N 3.19Å; L241-L243 PolarHBondContact O-N 3.15Å; L243-F245 PolarHBondContact O-N 3.06Å; L243-Y246 HydrophobicContact CD2-CD2 4.4Å; L243-Y246 HydrophobicContact CD2-CG 4.28Å; L243-Y246 PolarHBondContact O-N 3.1Å; L243-W288 HydrophobicContact CB-CH2 4.09Å; L243-W288 HydrophobicContact CB-CZ3 3.95Å; L243-W292 HydrophobicContact CB-CZ2 3.93Å; L243-W292 VanDerWaalsContact O-CZ2 3.24Å; L243-W292 WeakPolarHBondContact O-CZ2 3.42Å; L243-W292 PolarHBondContact O-NE1 3.19Å; L243-F298 HydrophobicContact CD1-CD1 4.44Å; L243-F298 HydrophobicContact CD1-CD2 4.01Å; L243-F298 HydrophobicContact CD1-CE1 4.1Å; L243-F298 HydrophobicContact CD1-CE2 3.65Å; L243-F298 HydrophobicContact CD1-CG 4.39Å; L243-F298 HydrophobicContact CD1-CZ 3.69Å; L243-F298 HydrophobicContact CD2-CD2 4.32Å; L243-M300 HydrophobicContact CD2-CE 4.44Å
244Q97.5Very high97Very high2 Ų217.3 Ų17.31%0.0098%0.079CC..G310 helixtrans-45.1-36.5168.4-172.6179.73.200112.2T66 Y68 L71 F76 L241 L242T66-Q244 WeakPolarHBondContact CB-O 3.39Å; T66-Q244 WeakPolarHBondContact CG2-O 3.34Å; T66-Q244 PolarHBondContact OG1-O 2.79Å; Y68-Q244 PolarHBondContact O-NE2 3.47Å; L71-Q244 PolarHBondContact O-NE2 3.18Å; F76-Q244 HydrophobicContact CD1-CB 3.91Å; F76-Q244 HydrophobicContact CD1-CG 4.04Å; F76-Q244 HydrophobicContact CD2-CB 4.37Å; F76-Q244 HydrophobicContact CD2-CG 3.81Å; F76-Q244 HydrophobicContact CE1-CB 3.69Å; F76-Q244 HydrophobicContact CE1-CG 4.19Å; F76-Q244 HydrophobicContact CE2-CB 4.18Å; F76-Q244 HydrophobicContact CE2-CG 3.96Å; F76-Q244 HydrophobicContact CG-CB 4.23Å; F76-Q244 HydrophobicContact CG-CG 3.84Å; F76-Q244 HydrophobicContact CZ-CB 3.83Å; F76-Q244 HydrophobicContact CZ-CG 4.13Å; L241-Q244 WeakPolarHBondContact O-CB 3.46Å; L241-Q244 PolarHBondContact O-N 3.07Å; L242-Q244 PolarHBondContact O-N 3.15Å; L242-Q244 VanDerWaalsContact O-N 3.13Å
245F98.2Very high96.6Very high1 Ų126.3 Ų26.30%0.00411%0.112CC..G310 helixtrans-108.45.5-175.8-48.5-57.7000114.4N46 K49 A50 Y53 Y63 G64 L242 L243N46-F245 HydrophobicContact CB-CE1 3.61Å; N46-F245 HydrophobicContact CB-CZ 3.78Å; K49-F245 HydrophobicContact CB-CE2 3.89Å; K49-F245 HydrophobicContact CB-CZ 4.39Å; K49-F245 HydrophobicContact CD-CE2 4.25Å; K49-F245 HydrophobicContact CD-CZ 4.34Å; A50-F245 HydrophobicContact CB-CB 3.97Å; A50-F245 HydrophobicContact CB-CD2 4.45Å; A50-F245 HydrophobicContact CB-CG 4.07Å; Y53-F245 AromaticContact CD2-CD2 3.79Å; Y53-F245 HydrophobicContact CD2-CD2 3.79Å; Y53-F245 HydrophobicContact CD2-CE2 4.47Å; Y53-F245 AromaticContact CE2-CD2 3.58Å; Y53-F245 HydrophobicContact CE2-CD2 3.58Å; Y53-F245 AromaticContact CE2-CE2 3.87Å; Y53-F245 HydrophobicContact CE2-CE2 3.87Å; Y63-F245 CarbonylContact C-O 3.03Å; Y63-F245 WeakPolarHBondContact CA-O 3.47Å; Y63-F245 HydrophobicContact CD1-CB 4.4Å; G64-F245 PolarHBondContact N-O 3.4Å; L242-F245 PolarHBondContact O-N 3.39Å; L243-F245 PolarHBondContact O-N 3.06Å
246Y98.6Very high96.3Very high0 Ų032 Ų320%014%0.142CC..EExtended strand (participates in β ladder)trans-67.6135-179.1174.1-90.6000111.7A61 Y63 T66 L243 G249 W292 E294 F298 R299A61-Y246 HydrophobicContact CB-CD2 4.2Å; A61-Y246 HydrophobicContact CB-CE2 4.01Å; Y63-Y246 HydrophobicContact CE1-CD2 4.38Å; T66-Y246 WeakPolarHBondContact CG2-O 3.48Å; L243-Y246 HydrophobicContact CD2-CD2 4.4Å; L243-Y246 HydrophobicContact CD2-CG 4.28Å; L243-Y246 PolarHBondContact O-N 3.1Å; Y246-G249 VanDerWaalsContact CE2-O 3.25Å; Y246-G249 WeakPolarHBondContact CE2-O 3.36Å; Y246-G249 PolarHBondContact OH-N 3.28Å; Y246-G249 PolarHBondContact OH-O 3.4Å; Y246-W292 AromaticContact CD1-CH2 3.87Å; Y246-W292 HydrophobicContact CD1-CH2 3.87Å; Y246-W292 AromaticContact CD1-CZ2 3.88Å; Y246-W292 HydrophobicContact CD1-CZ2 3.88Å; Y246-W292 HydrophobicContact CD1-CZ3 4.5Å; Y246-W292 HydrophobicContact CG-CZ2 4.26Å; Y246-E294 HydrophobicContact CE1-CG 4.42Å; Y246-E294 PolarHBondContact OH-OE1 3.35Å; Y246-F298 HydrophobicContact CD1-CB 3.69Å; Y246-F298 HydrophobicContact CE1-CB 3.22Å; Y246-F298 HydrophobicContact CE2-CB 4.25Å; Y246-F298 HydrophobicContact CG-CB 4.37Å; Y246-F298 WeakPolarHBondContact OH-CA 3.24Å; Y246-R299 PolarHBondContact OH-N 3.02Å
247Q98.5Very high96.1Very high61 Ų6134 Ų3429%0.28515%0.15SC..EExtended strand (participates in β ladder)trans-113-55.2174.5-63.1-172.5-41.300112.2I62 V65 T66 G293 E294I62-Q247 PolarHBondContact O-N 2.9Å; V65-Q247 PolarHBondContact O-NE2 3.42Å; T66-Q247 HydrophobicContact CG2-CG 4.43Å; Q247-G293 CarbonylContact O-C 3.46Å; Q247-G293 VanDerWaalsContact O-CA 3.24Å; Q247-G293 WeakPolarHBondContact O-CA 3.49Å; Q247-E294 PolarHBondContact O-N 2.95Å
248H98.6Very high95.9Very high92 Ų9234.1 Ų34.143%0.42615%0.151SC..EExtended strand (participates in β ladder)trans-164.7174.4178.862.882.2000111A61 I62 E294A61-H248 CarbonylContact C-O 3.5Å; A61-H248 VanDerWaalsContact CA-O 3.23Å; A61-H248 WeakPolarHBondContact CA-O 3.47Å; I62-H248 WeakPolarHBondContact CG1-CE1 3.29Å; I62-H248 PolarHBondContact N-O 3.3Å; H248-E294 WeakPolarHBondContact CA-OE1 3.33Å; H248-E294 HydrophobicContact CB-CG 3.58Å
249G98.4Very high95.7Very high3 Ų335.2 Ų35.23%0.03116%0.159CC..SBendtrans90-178.8178.600000112.6Y246 S251 E294Y246-G249 VanDerWaalsContact CE2-O 3.25Å; Y246-G249 WeakPolarHBondContact CE2-O 3.36Å; Y246-G249 PolarHBondContact OH-N 3.28Å; Y246-G249 PolarHBondContact OH-O 3.4Å; G249-S251 PolarHBondContact O-N 3.35Å; G249-E294 PolarHBondContact N-OE1 2.9Å
250I98.6Very high95.5Very high0 Ų039.6 Ų39.60%018%0.177CC..EExtended strand (participates in β ladder)trans-88.3110.4-176.7-58.2167.7000109.6G59 S60 A61 H252 E279 F281 R299G59-I250 CarbonylContact C-O 3.58Å; G59-I250 WeakPolarHBondContact CA-O 3.33Å; S60-I250 PolarHBondContact N-O 2.97Å; S60-I250 VanDerWaalsContact N-O 3.13Å; S60-I250 WeakPolarHBondContact OG-CB 3.43Å; S60-I250 PolarHBondContact OG-N 3.25Å; A61-I250 WeakPolarHBondContact CB-O 3.5Å; A61-I250 PolarHBondContact N-O 3.1Å; I250-H252 PolarHBondContact O-N 3.03Å; I250-E279 HydrophobicContact CD1-CB 3.96Å; I250-F281 HydrophobicContact CD1-CB 4.11Å; I250-F281 HydrophobicContact CD1-CD1 3.54Å; I250-F281 HydrophobicContact CD1-CE1 4.31Å; I250-F281 HydrophobicContact CD1-CG 4.1Å; I250-F281 HydrophobicContact CG1-CB 4.03Å; I250-F281 HydrophobicContact CG1-CD1 4.07Å; I250-F281 HydrophobicContact CG1-CG 4.17Å; I250-F281 HydrophobicContact CG2-CB 3.99Å; I250-R299 HydrophobicContact CG1-CB 4.19Å
251S98.3Very high95Very high0 Ų048.1 Ų48.10%021%0.211CC..EExtended strand (participates in β ladder)trans-71118.7176.5-174.30000109.6Y63 G249 R299 Y301Y63-S251 PolarHBondContact OH-OG 3.35Å; G249-S251 PolarHBondContact O-N 3.35Å; S251-R299 WeakPolarHBondContact CB-O 3.13Å; S251-R299 PolarHBondContact N-O 3.23Å; S251-Y301 PolarHBondContact O-N 2.79Å
252H97.6Very high94.9Very high13 Ų1350.5 Ų50.56%0.0622%0.223CC..  trans-141.167.5175.7-165.4-165.3000110.7R58 I250 Y301 D304 S306R58-H252 HydrophobicContact CB-CB 4.28Å; R58-H252 WeakPolarHBondContact CB-O 3.48Å; R58-H252 PolarHBondContact N-O 3.13Å; R58-H252 PolarHBondContact NH1-CE1 3.14Å; R58-H252 PolarHBondContact NH1-NE2 2.95Å; R58-H252 PolarHBondContact NH2-CD2 3.38Å; R58-H252 PolarHBondContact NH2-NE2 2.83Å; I250-H252 PolarHBondContact O-N 3.03Å; H252-Y301 HydrophobicContact CB-CG 4.3Å; H252-Y301 VanDerWaalsContact CD2-CB 3.45Å; H252-Y301 WeakPolarHBondContact CD2-CB 3.36Å; H252-Y301 AromaticContact CD2-CD1 3.64Å; H252-Y301 AromaticContact CD2-CG 3.51Å; H252-Y301 AromaticContact CE1-CD1 3.49Å; H252-Y301 VanDerWaalsContact CE1-CD1 3.49Å; H252-Y301 WeakPolarHBondContact CE1-CD1 3.47Å; H252-Y301 AromaticContact CE1-CD2 3.63Å; H252-Y301 AromaticContact CE1-CE1 3.59Å; H252-Y301 AromaticContact CE1-CE2 3.73Å; H252-Y301 AromaticContact CE1-CG 3.5Å; H252-Y301 AromaticContact CE1-CZ 3.71Å; H252-Y301 AromaticContact CG-CD2 4Å; H252-Y301 AromaticContact CG-CG 3.67Å; H252-Y301 AromaticContact ND1-CD2 3.67Å; H252-Y301 AromaticContact ND1-CG 3.73Å; H252-Y301 AromaticContact NE2-CD1 3.12Å; H252-Y301 WeakPolarHBondContact NE2-CD1 3.42Å; H252-Y301 AromaticContact NE2-CE1 3.54Å; H252-Y301 AromaticContact NE2-CG 3.39Å; H252-D304 IonicContact CD2-OD2 3.35Å; H252-D304 IonicContact CE1-OD2 3.37Å; H252-D304 IonicContact NE2-OD1 2.87Å; H252-D304 IonicContact NE2-OD2 2.96Å; H252-D304 PolarHBondContact NE2-OD2 2.82Å; H252-S306 PolarHBondContact CD2-OG 3.45Å
253P96Very high94.8Very high7 Ų750.5 Ų50.55%0.04522%0.223CC..  trans-68.8163.5-178.729.1-34.5000111.9R58 L242 F257 C258R58-P253 PolarHBondContact NH2-O 2.57Å; R58-P253 VanDerWaalsContact NH2-O 3.12Å; L242-P253 HydrophobicContact CD1-CB 3.57Å; L242-P253 HydrophobicContact CD1-CG 3.93Å; L242-P253 HydrophobicContact CD2-CG 3.97Å; P253-F257 HydrophobicContact CB-CB 4.44Å; P253-C258 HydrophobicContact CB-CB 4.3Å; P253-C258 HydrophobicContact CG-CB 3.67Å
254W93.6Very high94.7Very high126 Ų12651.3 Ų51.348%0.47723%0.228SC..  trans-69.2145162.5-76.186.5000110.2F56 I256 F257F56-W254 PolarHBondContact O-NE1 2.98Å; W254-I256 HydrophobicContact CB-CG2 4.04Å; W254-I256 PolarHBondContact O-N 3.06Å; W254-F257 HydrophobicContact CB-CD2 4.12Å; W254-F257 HydrophobicContact CB-CE2 4.45Å; W254-F257 PolarHBondContact O-N 3.16Å
255W90.3Very high94.6Very high188 Ų18851.2 Ų51.271%0.71223%0.227SC*.G310 helixtrans-54.7-27-177.971.4-92.1000113.7F257 C258 S259W255-F257 PolarHBondContact O-N 2.73Å; W255-C258 CarbonylContact O-C 3.19Å; W255-C258 PolarHBondContact O-N 3.44Å; W255-C258 VanDerWaalsContact O-N 3.14Å; W255-S259 WeakPolarHBondContact O-CA 3.37Å; W255-S259 PolarHBondContact O-N 3.5Å
256I91.7Very high94.6Very high120 Ų12051.1 Ų51.162%0.61523%0.227SC*.G310 helixtrans-63.9-26.5176.5-166.4168.8000113.3W254W254-I256 HydrophobicContact CB-CG2 4.04Å; W254-I256 PolarHBondContact O-N 3.06Å
257F91.8Very high94.6Very high43 Ų4351.2 Ų51.219%0.18923%0.227CC..G310 helixtrans-94.7-8.6176.4-58.7-60.4000112.8L52 Y53 F56 P253 W254 W255L52-F257 HydrophobicContact CD2-CE1 4.12Å; Y53-F257 HydrophobicContact CD1-CD1 4.16Å; Y53-F257 HydrophobicContact CD1-CE1 4.48Å; Y53-F257 HydrophobicContact CD1-CG 4.31Å; Y53-F257 HydrophobicContact CE1-CB 4.42Å; Y53-F257 AromaticContact CE1-CD1 3.74Å; Y53-F257 HydrophobicContact CE1-CD1 3.74Å; Y53-F257 HydrophobicContact CE1-CE1 4.24Å; Y53-F257 HydrophobicContact CE1-CG 4.17Å; F56-F257 HydrophobicContact CB-CD2 4.41Å; F56-F257 HydrophobicContact CB-CE2 3.63Å; F56-F257 HydrophobicContact CB-CZ 4.37Å; F56-F257 AromaticContact CD2-CE2 3.96Å; F56-F257 HydrophobicContact CD2-CE2 3.96Å; F56-F257 AromaticContact CD2-CZ 3.84Å; F56-F257 HydrophobicContact CD2-CZ 3.84Å; F56-F257 HydrophobicContact CE2-CZ 4.44Å; F56-F257 AromaticContact CG-CE2 3.82Å; F56-F257 HydrophobicContact CG-CE2 3.82Å; F56-F257 HydrophobicContact CG-CZ 4.17Å; P253-F257 HydrophobicContact CB-CB 4.44Å; W254-F257 HydrophobicContact CB-CD2 4.12Å; W254-F257 HydrophobicContact CB-CE2 4.45Å; W254-F257 PolarHBondContact O-N 3.16Å; W255-F257 PolarHBondContact O-N 2.73Å
258C92.9Very high94.6Very high3 Ų348.5 Ų48.52%0.0222%0.215CC..SBendtrans-156.573.1-171.4-146.30000110.5N239 L242 P253 W255 K260 C307N239-C258 PolarHBondContact O-SG 2.88Å; L242-C258 HydrophobicContact CD2-CB 4.44Å; P253-C258 HydrophobicContact CB-CB 4.3Å; P253-C258 HydrophobicContact CG-CB 3.67Å; W255-C258 CarbonylContact O-C 3.19Å; W255-C258 PolarHBondContact O-N 3.44Å; W255-C258 VanDerWaalsContact O-N 3.14Å; C258-K260 PolarHBondContact O-N 2.81Å; C258-C307 HydrophobicContact CB-CB 4.04Å; C258-C307 WeakPolarHBondContact CB-SG 3.49Å; C258-C307 VanDerWaalsContact SG-CA 3.57Å; C258-C307 WeakPolarHBondContact SG-CB 3.47Å; C258-C307 CovalentContact SG-SG 2.01Å; C258-C307 PolarHBondContact SG-SG 2.94Å
259S91Very high94.6Very high23 Ų2344.1 Ų44.116%0.16120%0.195CC..  trans-67.8129.1-173.4177.20000111.1N239 W255 Y261 L262N239-S259 WeakPolarHBondContact CB-O 3.43Å; W255-S259 WeakPolarHBondContact O-CA 3.37Å; W255-S259 PolarHBondContact O-N 3.5Å; S259-Y261 PolarHBondContact O-N 2.93Å; S259-Y261 VanDerWaalsContact O-N 3.09Å; S259-Y261 PolarHBondContact OG-N 3.42Å; S259-L262 PolarHBondContact O-N 3.27Å
260K90.3Very high94.6Very high103 Ų10344 Ų4445%0.44819%0.193SC..THydrogen-bonded Turntrans-65.3-9.2173.868.3-179.6-174.51790114.6C258C258-K260 PolarHBondContact O-N 2.81Å
261Y87.2Confident94.6Very high179 Ų17944 Ų4470%0.70219%0.193SC*.THydrogen-bonded Turntrans-102.6-7.9-178.3-55.5-71.2000113.4S259S259-Y261 PolarHBondContact O-N 2.93Å; S259-Y261 VanDerWaalsContact O-N 3.09Å; S259-Y261 PolarHBondContact OG-N 3.42Å
262L90.5Very high94.7Very high94 Ų9444.1 Ų44.149%0.49219%0.194SC..  trans-117.460.5-176.4-60.6177.1000109.3N239 S259 D264N239-L262 WeakPolarHBondContact CB-O 3.21Å; N239-L262 PolarHBondContact ND2-O 3.46Å; S259-L262 PolarHBondContact O-N 3.27Å; L262-D264 PolarHBondContact O-N 3.24Å
263L93.8Very high94.7Very high3 Ų343.6 Ų43.62%0.01619%0.191CC..  trans-68.2126.6178.1-47.1178.6000108.8S84 W85 V87 M238 T311 V312S84-L263 CarbonylContact C-O 3.31Å; S84-L263 WeakPolarHBondContact CA-O 3.16Å; W85-L263 HydrophobicContact CB-CB 4.3Å; W85-L263 HydrophobicContact CD2-CB 4.27Å; W85-L263 HydrophobicContact CE3-CB 4.29Å; W85-L263 HydrophobicContact CE3-CD1 4.01Å; W85-L263 HydrophobicContact CG-CB 4.3Å; W85-L263 PolarHBondContact N-O 2.91Å; V87-L263 HydrophobicContact CG2-CD1 4.35Å; M238-L263 WeakPolarHBondContact O-CA 3.18Å; L263-T311 HydrophobicContact CD1-CG2 4.19Å; L263-V312 HydrophobicContact CD1-CB 4.26Å; L263-V312 HydrophobicContact CD1-CG2 3.68Å
264D94.7Very high94.8Very high16 Ų1645 Ų459%0.08620%0.2CC..  trans-133.85.2-175.256.820.4000112.3L81 T82 M238 N239 A240 L262L81-D264 WeakPolarHBondContact CB-O 3.31Å; L81-D264 HydrophobicContact CD1-CB 4.49Å; T82-D264 WeakPolarHBondContact CG2-O 3.4Å; T82-D264 PolarHBondContact N-O 2.85Å; M238-D264 PolarHBondContact O-N 2.96Å; N239-D264 WeakPolarHBondContact CA-OD1 3.46Å; N239-D264 PolarHBondContact ND2-OD2 2.86Å; A240-D264 PolarHBondContact N-OD1 2.81Å; L262-D264 PolarHBondContact O-N 3.24Å
265H97.2Very high95Very high0 Ų040.3 Ų40.30%019%0.186CC..EExtended strand (participates in β ladder)trans-148.7138.9-177.5-162.441.8000112.5L81 C129 G237 M238 A240 V267 N286 W288L81-H265 HydrophobicContact CD2-CB 4.06Å; C129-H265 WeakPolarHBondContact CB-CE1 3.3Å; C129-H265 WeakPolarHBondContact CB-ND1 3.47Å; G237-H265 CarbonylContact C-O 3.43Å; G237-H265 WeakPolarHBondContact CA-O 3.38Å; M238-H265 HydrophobicContact CG-CB 4.49Å; M238-H265 PolarHBondContact N-O 3.21Å; M238-H265 PolarHBondContact O-N 3.34Å; A240-H265 HydrophobicContact CB-CB 3.42Å; A240-H265 VanDerWaalsContact CB-CB 3.42Å; H265-V267 WeakPolarHBondContact CD2-CG1 3.42Å; H265-V267 WeakPolarHBondContact NE2-CG1 3.37Å; H265-N286 PolarHBondContact NE2-OD1 3.03Å; H265-W288 AromaticContact CD2-CZ2 3.69Å; H265-W288 AromaticContact CE1-CE2 3.76Å; H265-W288 AromaticContact CE1-CZ2 3.63Å; H265-W288 AromaticContact CE1-NE1 3.5Å; H265-W288 PolarHBondContact CE1-NE1 3.5Å; H265-W288 AromaticContact NE2-CE2 3.63Å; H265-W288 AromaticContact NE2-CZ2 3.34Å; H265-W288 VanDerWaalsContact NE2-CZ2 3.34Å; H265-W288 WeakPolarHBondContact NE2-CZ2 3.03Å; H265-W288 AromaticContact NE2-NE1 3.77Å
266A97Very high95.2Very high0 Ų041.3 Ų41.30%020%0.199CC..EExtended strand (participates in β ladder)trans-100.8131.8171.500000110W85 C129 W130 P172 V236W85-A266 HydrophobicContact CH2-CB 3.79Å; W85-A266 HydrophobicContact CZ2-CB 3.49Å; W85-A266 VanDerWaalsContact CZ2-CB 3.49Å; C129-A266 HydrophobicContact CB-CB 4.34Å; C129-A266 PolarHBondContact SG-N 3.42Å; C129-A266 VanDerWaalsContact SG-N 3.4Å; W130-A266 HydrophobicContact CB-CB 4.37Å; P172-A266 HydrophobicContact CG-CB 4.16Å; V236-A266 WeakPolarHBondContact O-CA 3.36Å
267V98.3Very high95.2Very high2 Ų243.9 Ų43.91%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-140.7164.6179.5-650000110.6S133 V236 M238 H265 V284 F298S133-V267 PolarHBondContact OG-O 2.01Å; S133-V267 VanDerWaalsContact OG-O 3.1Å; V236-V267 HydrophobicContact CG2-CG2 3.56Å; V236-V267 WeakPolarHBondContact CG2-O 3.46Å; V236-V267 PolarHBondContact N-O 3.37Å; V236-V267 PolarHBondContact O-N 2.87Å; M238-V267 HydrophobicContact CG-CG2 4.18Å; M238-V267 HydrophobicContact SD-CG2 3.93Å; H265-V267 WeakPolarHBondContact CD2-CG1 3.42Å; H265-V267 WeakPolarHBondContact NE2-CG1 3.37Å; V267-V284 HydrophobicContact CB-CG1 3.62Å; V267-V284 HydrophobicContact CG1-CG1 4.46Å; V267-V284 HydrophobicContact CG2-CG1 3.44Å; V267-V284 VanDerWaalsContact CG2-CG1 3.44Å; V267-F298 HydrophobicContact CG1-CE1 4.22Å; V267-F298 HydrophobicContact CG1-CZ 4.39Å; V267-F298 HydrophobicContact CG2-CZ 4.32Å
268L98.9Very high95.4Very high4 Ų447.8 Ų47.82%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-107.3117.1-177.9-171.876.9000111N137 T233 I234 V270 V284 K285N137-L268 HydrophobicContact CB-CD1 3.8Å; T233-L268 HydrophobicContact CG2-CD2 4.24Å; T233-L268 HydrophobicContact CG2-CG 4.49Å; I234-L268 WeakPolarHBondContact O-CA 3.4Å; L268-V270 HydrophobicContact CB-CG1 4.5Å; L268-V270 HydrophobicContact CD2-CG1 3.72Å; L268-V270 HydrophobicContact CG-CG1 3.96Å; L268-V270 PolarHBondContact O-N 3.46Å; L268-V284 WeakPolarHBondContact O-CA 3.5Å; L268-K285 HydrophobicContact CB-CB 4.2Å; L268-K285 HydrophobicContact CD2-CD 4.3Å; L268-K285 PolarHBondContact N-O 3.02Å; L268-K285 PolarHBondContact O-N 3.09Å
269L98.9Very high95.6Very high0 Ų049.5 Ų49.50%024%0.236CC..EExtended strand (participates in β ladder)trans-71.1122.2165.7-62.2-173.9000108.9L228 T233 I234 V236 W282 V284 I309L228-L269 HydrophobicContact CD1-CB 4.16Å; L228-L269 HydrophobicContact CD2-CB 4.12Å; L228-L269 VanDerWaalsContact CD2-O 3.29Å; L228-L269 WeakPolarHBondContact CD2-O 3.31Å; T233-L269 VanDerWaalsContact CA-O 3.25Å; T233-L269 WeakPolarHBondContact CA-O 3.34Å; T233-L269 WeakPolarHBondContact CB-O 3.34Å; I234-L269 HydrophobicContact CB-CB 4.18Å; I234-L269 HydrophobicContact CB-CD1 4.47Å; I234-L269 PolarHBondContact N-O 3.09Å; I234-L269 PolarHBondContact O-N 2.57Å; V236-L269 HydrophobicContact CB-CG 4.44Å; V236-L269 HydrophobicContact CG1-CD1 3.66Å; V236-L269 HydrophobicContact CG1-CG 3.75Å; V236-L269 HydrophobicContact CG2-CD1 4.41Å; V236-L269 HydrophobicContact CG2-CD2 4.03Å; V236-L269 HydrophobicContact CG2-CG 3.77Å; L269-W282 HydrophobicContact CD1-CD2 4.18Å; L269-W282 HydrophobicContact CD1-CE3 4.25Å; L269-W282 HydrophobicContact CD2-CB 3.9Å; L269-W282 HydrophobicContact CD2-CD2 4.33Å; L269-W282 HydrophobicContact CD2-CG 4.02Å; L269-V284 HydrophobicContact CD2-CB 4.49Å; L269-V284 HydrophobicContact CD2-CG1 4.27Å; L269-V284 HydrophobicContact CD2-CG2 3.71Å; L269-I309 HydrophobicContact CD2-CD1 3.78Å; L269-I309 HydrophobicContact CD2-CG1 4.23Å
270V98.9Very high95.9Very high0 Ų049.8 Ų49.80%024%0.237CC..EExtended strand (participates in β ladder)trans-115.4-9-178.8-59.70000113.4W111 R112 V117 T233 L268 I283 K285 Y297W111-V270 VanDerWaalsContact CB-O 3.31Å; W111-V270 WeakPolarHBondContact CB-O 3.25Å; W111-V270 PolarHBondContact N-O 2.91Å; R112-V270 HydrophobicContact CG-CG2 4.28Å; V117-V270 HydrophobicContact CG1-CG1 4.05Å; V117-V270 HydrophobicContact CG2-CB 4.1Å; V117-V270 HydrophobicContact CG2-CG1 3.96Å; T233-V270 HydrophobicContact CG2-CB 4.27Å; T233-V270 HydrophobicContact CG2-CG1 3.98Å; L268-V270 HydrophobicContact CB-CG1 4.5Å; L268-V270 HydrophobicContact CD2-CG1 3.72Å; L268-V270 HydrophobicContact CG-CG1 3.96Å; L268-V270 PolarHBondContact O-N 3.46Å; V270-I283 HydrophobicContact CG2-CB 4.04Å; V270-I283 HydrophobicContact CG2-CG2 3.59Å; V270-I283 WeakPolarHBondContact CG2-O 3.19Å; V270-I283 PolarHBondContact N-O 3.09Å; V270-K285 HydrophobicContact CG1-CB 3.93Å; V270-Y297 HydrophobicContact CG2-CD1 4.28Å; V270-Y297 HydrophobicContact CG2-CE1 4.05Å
271G98.8Very high96.3Very high0 Ų046 Ų460%022%0.221CC..EExtended strand (participates in β ladder)trans177.9-176.3-178.200000112.2F109 I283F109-G271 CarbonylContact O-C 3.57Å; F109-G271 WeakPolarHBondContact O-CA 3.18Å; G271-I283 PolarHBondContact N-O 3.25Å; G271-I283 PolarHBondContact O-N 3.27Å
272Y98.8Very high96.9Very high3 Ų337.5 Ų37.51%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-153160.517860.7-93.5000110.3I105 P106 N108 F109 A225 L228 F281 W282I105-Y272 HydrophobicContact CD1-CE2 4.45Å; P106-Y272 WeakPolarHBondContact O-CE2 3.35Å; P106-Y272 PolarHBondContact O-OH 3.05Å; N108-Y272 WeakPolarHBondContact CA-O 3.35Å; F109-Y272 HydrophobicContact CB-CD1 4.24Å; F109-Y272 HydrophobicContact CB-CE1 3.62Å; F109-Y272 HydrophobicContact CB-CE2 4.19Å; F109-Y272 HydrophobicContact CD1-CE1 4.3Å; F109-Y272 HydrophobicContact CG-CE1 4.32Å; F109-Y272 PolarHBondContact N-O 2.8Å; F109-Y272 PolarHBondContact O-N 3.01Å; F109-Y272 VanDerWaalsContact O-O 3.11Å; A225-Y272 HydrophobicContact CB-CD1 3.94Å; A225-Y272 HydrophobicContact CB-CE1 3.96Å; A225-Y272 HydrophobicContact CB-CG 4.24Å; A225-Y272 WeakPolarHBondContact O-CE1 3.33Å; L228-Y272 HydrophobicContact CB-CD1 4.14Å; L228-Y272 HydrophobicContact CB-CE1 4.15Å; L228-Y272 HydrophobicContact CD1-CD1 3.95Å; Y272-F281 CarbonylContact C-O 3.54Å; Y272-F281 VanDerWaalsContact CA-O 3.24Å; Y272-F281 WeakPolarHBondContact CA-O 3.47Å; Y272-F281 WeakPolarHBondContact CB-O 3.43Å; Y272-W282 HydrophobicContact CD1-CZ3 4.24Å; Y272-W282 HydrophobicContact CG-CZ3 4.26Å
273G98.5Very high97.3Very high1 Ų133.8 Ų33.81%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-159.1-175176.400000113.4N108 P280 F281N108-G273 WeakPolarHBondContact OD1-CA 3.45Å; G273-P280 WeakPolarHBondContact O-CA 3.49Å; G273-F281 PolarHBondContact N-O 2.94Å; G273-F281 PolarHBondContact O-N 3.19Å
274V98.1Very high97.5Very high38 Ų3833.7 Ų33.723%0.2317%0.167CC..EExtended strand (participates in β ladder)trans-133.9127.6173.8-177.20000108.1N108 E279N108-V274 PolarHBondContact OD1-N 3.45Å; V274-E279 WeakPolarHBondContact CA-O 3.18Å
275S96.8Very high97.7Very high27 Ų2733.8 Ų33.819%0.18917%0.167CC..  trans-69167.6178.782.80000112K277 N278 E279S275-K277 PolarHBondContact O-N 3.41Å; S275-K277 PolarHBondContact OG-N 3.43Å; S275-K277 VanDerWaalsContact OG-N 3.15Å; S275-N278 WeakPolarHBondContact O-CA 3.26Å; S275-N278 PolarHBondContact O-N 3.16Å; S275-E279 PolarHBondContact N-O 2.84Å; S275-E279 WeakPolarHBondContact OG-CB 3.35Å; S275-E279 PolarHBondContact OG-N 3.05Å; S275-E279 VanDerWaalsContact OG-N 3.1Å; S275-E279 PolarHBondContact OG-OE2 3.18Å
276E94.4Very high97.8Very high208 Ų20834 Ų3497%0.97217%0.168SC*.THydrogen-bonded Turntrans-59-25.7171.8-63.1-178.2168.900112.9N278E276-N278 PolarHBondContact O-N 3.38Å
277K93.4Very high97.9Very high175 Ų17534.3 Ų34.376%0.76117%0.17SC*.THydrogen-bonded Turntrans-8613.2174.5-62.6-177.5-178.8178.10113S275 E279S275-K277 PolarHBondContact O-N 3.41Å; S275-K277 PolarHBondContact OG-N 3.43Å; S275-K277 VanDerWaalsContact OG-N 3.15Å; K277-E279 VanDerWaalsContact C-N 3.27Å; K277-E279 HydrophobicContact CB-CG 4.29Å; K277-E279 PolarHBondContact O-N 2.99Å
278N95.4Very high97.8Very high124 Ų12434.3 Ų34.366%0.66317%0.17SC*.SBendtrans61.631.7-178.1-15845.3000113.6S275 E276 P280S275-N278 WeakPolarHBondContact O-CA 3.26Å; S275-N278 PolarHBondContact O-N 3.16Å; E276-N278 PolarHBondContact O-N 3.38Å; N278-P280 WeakPolarHBondContact O-CD 3.28Å
279E96.1Very high97.8Very high39 Ų3934.5 Ų34.518%0.18217%0.174CC..  trans-93.7112.2175.7-60.2171.3110.200109.7I250 V274 S275 K277I250-E279 HydrophobicContact CD1-CB 3.96Å; V274-E279 WeakPolarHBondContact CA-O 3.18Å; S275-E279 PolarHBondContact N-O 2.84Å; S275-E279 WeakPolarHBondContact OG-CB 3.35Å; S275-E279 PolarHBondContact OG-N 3.05Å; S275-E279 VanDerWaalsContact OG-N 3.1Å; S275-E279 PolarHBondContact OG-OE2 3.18Å; K277-E279 VanDerWaalsContact C-N 3.27Å; K277-E279 HydrophobicContact CB-CG 4.29Å; K277-E279 PolarHBondContact O-N 2.99Å
280P98.2Very high97.8Very high29 Ų2938.1 Ų38.119%0.18820%0.196CC..EExtended strand (participates in β ladder)trans-68.1139174.727.7-35.9000112G273 N278 Y301 R302G273-P280 WeakPolarHBondContact O-CA 3.49Å; N278-P280 WeakPolarHBondContact O-CD 3.28Å; P280-Y301 HydrophobicContact CG-CE2 4.15Å; P280-R302 HydrophobicContact CB-CB 4.27Å; P280-R302 WeakPolarHBondContact CB-O 3.35Å; P280-R302 WeakPolarHBondContact CG-O 3.34Å; P280-R302 PolarHBondContact O-N 2.76Å
281F98.8Very high97.7Very high24 Ų2443.7 Ų43.711%0.10522%0.221CC..EExtended strand (participates in β ladder)trans-141.8155.6177.462.8-92.4000112.9I250 Y272 G273 I283 R299 M300I250-F281 HydrophobicContact CD1-CB 4.11Å; I250-F281 HydrophobicContact CD1-CD1 3.54Å; I250-F281 HydrophobicContact CD1-CE1 4.31Å; I250-F281 HydrophobicContact CD1-CG 4.1Å; I250-F281 HydrophobicContact CG1-CB 4.03Å; I250-F281 HydrophobicContact CG1-CD1 4.07Å; I250-F281 HydrophobicContact CG1-CG 4.17Å; I250-F281 HydrophobicContact CG2-CB 3.99Å; Y272-F281 CarbonylContact C-O 3.54Å; Y272-F281 VanDerWaalsContact CA-O 3.24Å; Y272-F281 WeakPolarHBondContact CA-O 3.47Å; Y272-F281 WeakPolarHBondContact CB-O 3.43Å; G273-F281 PolarHBondContact N-O 2.94Å; G273-F281 PolarHBondContact O-N 3.19Å; F281-I283 HydrophobicContact CD2-CG1 4.15Å; F281-I283 HydrophobicContact CE2-CD1 4.36Å; F281-I283 HydrophobicContact CE2-CG1 3.77Å; F281-R299 HydrophobicContact CB-CB 4.34Å; F281-R299 HydrophobicContact CD2-CB 4.1Å; F281-R299 HydrophobicContact CD2-CG 3.77Å; F281-R299 HydrophobicContact CE2-CG 4.09Å; F281-R299 HydrophobicContact CG-CB 4.38Å; F281-R299 HydrophobicContact CG-CG 4.45Å; F281-M300 CarbonylContact C-O 3.51Å; F281-M300 WeakPolarHBondContact CA-O 3.5Å; F281-M300 WeakPolarHBondContact CB-O 3.5Å
282W98.9Very high97.7Very high1 Ų143.7 Ų43.70%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-87.6145.1162.7-63.8118.8000110.6E221 L224 A225 L228 L269 Y272 V284 R299 M300 R302E221-W282 HydrophobicContact CB-CZ2 3.8Å; E221-W282 HydrophobicContact CG-CZ2 3.97Å; E221-W282 VanDerWaalsContact O-CH2 3.3Å; E221-W282 WeakPolarHBondContact O-CH2 3.02Å; E221-W282 PolarHBondContact OE1-NE1 3.41Å; L224-W282 HydrophobicContact CB-CH2 3.82Å; L224-W282 HydrophobicContact CB-CZ2 4.15Å; A225-W282 HydrophobicContact CB-CH2 3.89Å; A225-W282 HydrophobicContact CB-CZ3 4.01Å; L228-W282 HydrophobicContact CD1-CE3 3.86Å; L228-W282 HydrophobicContact CD1-CZ3 3.54Å; L269-W282 HydrophobicContact CD1-CD2 4.18Å; L269-W282 HydrophobicContact CD1-CE3 4.25Å; L269-W282 HydrophobicContact CD2-CB 3.9Å; L269-W282 HydrophobicContact CD2-CD2 4.33Å; L269-W282 HydrophobicContact CD2-CG 4.02Å; Y272-W282 HydrophobicContact CD1-CZ3 4.24Å; Y272-W282 HydrophobicContact CG-CZ3 4.26Å; W282-V284 HydrophobicContact CB-CG2 3.86Å; W282-R299 VanDerWaalsContact O-CA 3.27Å; W282-R299 WeakPolarHBondContact O-CA 3.45Å; W282-M300 HydrophobicContact CB-CB 4.45Å; W282-M300 PolarHBondContact N-O 3.12Å; W282-M300 PolarHBondContact O-N 3.22Å; W282-R302 HydrophobicContact CD2-CB 4.09Å; W282-R302 HydrophobicContact CD2-CG 3.98Å; W282-R302 HydrophobicContact CG-CB 4.11Å; W282-R302 HydrophobicContact CG-CG 4.5Å; W282-R302 HydrophobicContact CH2-CG 4.03Å; W282-R302 HydrophobicContact CZ2-CB 4.38Å; W282-R302 HydrophobicContact CZ2-CG 3.45Å; W282-R302 VanDerWaalsContact CZ2-CG 3.45Å; W282-R302 VanDerWaalsContact CZ3-CD 3.41Å; W282-R302 HydrophobicContact CZ3-CG 4.49Å
283I98.9Very high97.7Very high16 Ų1644.6 Ų44.68%0.08223%0.231CC..EExtended strand (participates in β ladder)trans-98.6120.8165.2-53.8172.2000106.7D110 V270 G271 F281 Y297D110-I283 HydrophobicContact CB-CD1 4.02Å; V270-I283 HydrophobicContact CG2-CB 4.04Å; V270-I283 HydrophobicContact CG2-CG2 3.59Å; V270-I283 WeakPolarHBondContact CG2-O 3.19Å; V270-I283 PolarHBondContact N-O 3.09Å; G271-I283 PolarHBondContact N-O 3.25Å; G271-I283 PolarHBondContact O-N 3.27Å; F281-I283 HydrophobicContact CD2-CG1 4.15Å; F281-I283 HydrophobicContact CE2-CD1 4.36Å; F281-I283 HydrophobicContact CE2-CG1 3.77Å; I283-Y297 HydrophobicContact CG2-CD1 4.36Å
284V98.9Very high97.7Very high0 Ų047.1 Ų47.10%024%0.243CC..EExtended strand (participates in β ladder)trans-125.1125.5-170.4-164.10000110.3V267 L268 L269 W282 Y297 F298 M300 I309V267-V284 HydrophobicContact CB-CG1 3.62Å; V267-V284 HydrophobicContact CG1-CG1 4.46Å; V267-V284 HydrophobicContact CG2-CG1 3.44Å; V267-V284 VanDerWaalsContact CG2-CG1 3.44Å; L268-V284 WeakPolarHBondContact O-CA 3.5Å; L269-V284 HydrophobicContact CD2-CB 4.49Å; L269-V284 HydrophobicContact CD2-CG1 4.27Å; L269-V284 HydrophobicContact CD2-CG2 3.71Å; W282-V284 HydrophobicContact CB-CG2 3.86Å; V284-Y297 CarbonylContact O-C 3.58Å; V284-Y297 VanDerWaalsContact O-CA 3.22Å; V284-Y297 WeakPolarHBondContact O-CA 3.03Å; V284-Y297 WeakPolarHBondContact O-CB 2.91Å; V284-Y297 WeakPolarHBondContact O-CD1 3.41Å; V284-F298 HydrophobicContact CB-CD1 3.86Å; V284-F298 HydrophobicContact CB-CD2 4.23Å; V284-F298 HydrophobicContact CB-CE1 3.47Å; V284-F298 VanDerWaalsContact CB-CE1 3.47Å; V284-F298 HydrophobicContact CB-CE2 3.87Å; V284-F298 HydrophobicContact CB-CG 4.23Å; V284-F298 HydrophobicContact CB-CZ 3.48Å; V284-F298 VanDerWaalsContact CB-CZ 3.48Å; V284-F298 HydrophobicContact CG1-CD1 4.23Å; V284-F298 HydrophobicContact CG1-CE1 3.37Å; V284-F298 HydrophobicContact CG1-CE2 4.16Å; V284-F298 HydrophobicContact CG1-CZ 3.33Å; V284-F298 HydrophobicContact CG2-CD2 4.3Å; V284-F298 HydrophobicContact CG2-CE1 4.36Å; V284-F298 HydrophobicContact CG2-CE2 3.85Å; V284-F298 HydrophobicContact CG2-CZ 3.89Å; V284-F298 PolarHBondContact N-O 2.92Å; V284-F298 PolarHBondContact O-N 3.4Å; V284-M300 HydrophobicContact CG2-CB 4.41Å; V284-I309 HydrophobicContact CG2-CD1 4.02Å
285K98.9Very high97.7Very high18 Ų1851.2 Ų51.28%0.07826%0.264CS..EExtended strand (participates in β ladder)trans-83.6126.7172.3-172.5-177.4177.7177.10108.7V117 T118 E119 V120 L268 V270 Y297V117-K285 HydrophobicContact CG1-CD 3.77Å; T118-K285 PolarHBondContact O-NZ 3.46Å; T118-K285 PolarHBondContact OG1-NZ 3.03Å; E119-K285 VanDerWaalsContact O-CE 3.22Å; E119-K285 WeakPolarHBondContact O-CE 3.35Å; E119-K285 PolarHBondContact O-NZ 2.84Å; V120-K285 HydrophobicContact CG2-CG 4.15Å; L268-K285 HydrophobicContact CB-CB 4.2Å; L268-K285 HydrophobicContact CD2-CD 4.3Å; L268-K285 PolarHBondContact N-O 3.02Å; L268-K285 PolarHBondContact O-N 3.09Å; V270-K285 HydrophobicContact CG1-CB 3.93Å; K285-Y297 HydrophobicContact CB-CD1 3.93Å; K285-Y297 HydrophobicContact CB-CE1 3.53Å; K285-Y297 HydrophobicContact CD-CE1 4.42Å; K285-Y297 HydrophobicContact CG-CD1 4.38Å; K285-Y297 HydrophobicContact CG-CE1 3.73Å
286N98.7Very high97.8Very high5 Ų550 Ų503%0.02726%0.255CS..  trans-102.5172.4174-156-0.1000110.8H265 W288 W292 G296 F298H265-N286 PolarHBondContact NE2-OD1 3.03Å; N286-W288 VanDerWaalsContact ND2-CZ3 3.29Å; N286-W288 WeakPolarHBondContact ND2-CZ3 3.38Å; N286-W292 HydrophobicContact CB-CE3 4.06Å; N286-W292 HydrophobicContact CB-CH2 4.36Å; N286-W292 HydrophobicContact CB-CZ3 3.6Å; N286-W292 WeakPolarHBondContact ND2-CH2 3.49Å; N286-W292 WeakPolarHBondContact ND2-CZ3 3.47Å; N286-G296 VanDerWaalsContact CB-O 3.31Å; N286-G296 WeakPolarHBondContact CB-O 3.43Å; N286-G296 PolarHBondContact N-O 3.04Å; N286-F298 HydrophobicContact CB-CD1 4.25Å; N286-F298 HydrophobicContact CB-CE1 4.27Å
287S98.4Very high98Very high6 Ų641.4 Ų41.44%0.04221%0.214CC..SBendtrans-11730.2-178.5470000112.3K121 N122 Q123K121-S287 CarbonylContact O-C 3.59Å; N122-S287 CarbonylContact C-O 3.58Å; N122-S287 WeakPolarHBondContact CA-O 3.45Å; Q123-S287 PolarHBondContact N-O 3.1Å; Q123-S287 PolarHBondContact OE1-OG 3.5Å
288W98.1Very high98.3Very high2 Ų233.1 Ų33.11%0.00818%0.178CC..BIsolated β-bridgetrans-111.622.9-175.3-65.1-10.6000112.8Y68 F76 H80 L81 A240 L243 H265 N286 W292Y68-W288 HydrophobicContact CE2-CB 3.9Å; Y68-W288 HydrophobicContact CE2-CD2 4.4Å; Y68-W288 HydrophobicContact CE2-CE3 4.24Å; Y68-W288 HydrophobicContact CE2-CG 4.27Å; Y68-W288 WeakPolarHBondContact OH-CB 3.45Å; Y68-W288 PolarHBondContact OH-O 3.32Å; F76-W288 HydrophobicContact CE1-CH2 4.06Å; F76-W288 HydrophobicContact CE1-CZ2 4.42Å; F76-W288 HydrophobicContact CE2-CE3 4.48Å; F76-W288 HydrophobicContact CE2-CZ3 4.42Å; F76-W288 HydrophobicContact CZ-CD2 4.42Å; F76-W288 HydrophobicContact CZ-CE3 4.07Å; F76-W288 AromaticContact CZ-CH2 3.47Å; F76-W288 HydrophobicContact CZ-CH2 3.47Å; F76-W288 VanDerWaalsContact CZ-CH2 3.47Å; F76-W288 AromaticContact CZ-CZ2 3.82Å; F76-W288 HydrophobicContact CZ-CZ2 3.82Å; F76-W288 AromaticContact CZ-CZ3 3.6Å; F76-W288 HydrophobicContact CZ-CZ3 3.6Å; H80-W288 PolarHBondContact O-NE1 2.97Å; H80-W288 VanDerWaalsContact O-NE1 3.09Å; L81-W288 HydrophobicContact CD2-CH2 4.06Å; L81-W288 HydrophobicContact CD2-CZ2 3.5Å; A240-W288 HydrophobicContact CB-CH2 4.04Å; A240-W288 HydrophobicContact CB-CZ2 4.42Å; L243-W288 HydrophobicContact CB-CH2 4.09Å; L243-W288 HydrophobicContact CB-CZ3 3.95Å; H265-W288 AromaticContact CD2-CZ2 3.69Å; H265-W288 AromaticContact CE1-CE2 3.76Å; H265-W288 AromaticContact CE1-CZ2 3.63Å; H265-W288 AromaticContact CE1-NE1 3.5Å; H265-W288 PolarHBondContact CE1-NE1 3.5Å; H265-W288 AromaticContact NE2-CE2 3.63Å; H265-W288 AromaticContact NE2-CZ2 3.34Å; H265-W288 VanDerWaalsContact NE2-CZ2 3.34Å; H265-W288 WeakPolarHBondContact NE2-CZ2 3.03Å; H265-W288 AromaticContact NE2-NE1 3.77Å; N286-W288 VanDerWaalsContact ND2-CZ3 3.29Å; N286-W288 WeakPolarHBondContact ND2-CZ3 3.38Å; W288-W292 HydrophobicContact CB-CB 4.32Å; W288-W292 HydrophobicContact CB-CD2 4.46Å; W288-W292 HydrophobicContact CB-CG 4.31Å; W288-W292 AromaticContact CE3-CD2 3.77Å; W288-W292 HydrophobicContact CE3-CD2 3.77Å; W288-W292 AromaticContact CE3-CE2 3.48Å; W288-W292 VanDerWaalsContact CE3-CE2 3.48Å; W288-W292 HydrophobicContact CE3-CE3 4.34Å; W288-W292 HydrophobicContact CE3-CG 4.13Å; W288-W292 HydrophobicContact CE3-CH2 4.41Å; W288-W292 AromaticContact CE3-CZ2 3.85Å; W288-W292 HydrophobicContact CE3-CZ2 3.85Å; W288-W292 AromaticContact CE3-NE1 3.63Å; W288-W292 HydrophobicContact CZ3-CD2 4.4Å; W288-W292 AromaticContact CZ3-CE2 3.69Å; W288-W292 HydrophobicContact CZ3-CH2 4.3Å; W288-W292 AromaticContact CZ3-CZ2 3.63Å; W288-W292 HydrophobicContact CZ3-CZ2 3.63Å; W288-W292 AromaticContact CZ3-NE1 3.86Å
289G98.1Very high98.4Very high9 Ų930.3 Ų30.39%0.09316%0.158CC..  trans73.2166.7-178.800000114.5K121 E291 W292 G296K121-G289 WeakPolarHBondContact O-CA 3.32Å; K121-G289 PolarHBondContact O-N 2.94Å; G289-E291 VanDerWaalsContact C-N 3.29Å; G289-E291 PolarHBondContact O-N 3.48Å; G289-W292 PolarHBondContact O-N 3.32Å; G289-G296 WeakPolarHBondContact O-CA 3.12Å
290V98.2Very high98.5Very high76 Ų7628.4 Ų28.446%0.46115%0.149SC..THydrogen-bonded Turntrans-71.9-20.1-174.3-64.20000114V120 W292 N295V120-V290 HydrophobicContact CB-CG1 4Å; V120-V290 HydrophobicContact CG1-CG1 4.48Å; V290-W292 PolarHBondContact O-N 2.99Å; V290-N295 WeakPolarHBondContact O-CA 3.37Å
291E97.4Very high98.5Very high116 Ų11629.6 Ų29.654%0.54215%0.15SC..THydrogen-bonded Turntrans-74.9-10.3-179.8-66.6-62.2150.200113.5Y27 P67 G289Y27-E291 HydrophobicContact CD1-CB 4.36Å; Y27-E291 HydrophobicContact CE1-CB 4.15Å; P67-E291 HydrophobicContact CG-CB 3.98Å; G289-E291 VanDerWaalsContact C-N 3.29Å; G289-E291 PolarHBondContact O-N 3.48Å
292W98.3Very high98.5Very high1 Ų130.4 Ų30.40%0.00415%0.153CC..SBendtrans-103.3143177.4178.591.6000111P67 Y68 L243 Y246 N286 W288 G289 V290 G296 F298P67-W292 HydrophobicContact CG-CB 4.47Å; Y68-W292 AromaticContact CD2-CD1 3.73Å; Y68-W292 HydrophobicContact CE2-CB 4.15Å; Y68-W292 AromaticContact CE2-CD1 3.64Å; Y68-W292 HydrophobicContact CE2-CG 4.03Å; L243-W292 HydrophobicContact CB-CZ2 3.93Å; L243-W292 VanDerWaalsContact O-CZ2 3.24Å; L243-W292 WeakPolarHBondContact O-CZ2 3.42Å; L243-W292 PolarHBondContact O-NE1 3.19Å; Y246-W292 AromaticContact CD1-CH2 3.87Å; Y246-W292 HydrophobicContact CD1-CH2 3.87Å; Y246-W292 AromaticContact CD1-CZ2 3.88Å; Y246-W292 HydrophobicContact CD1-CZ2 3.88Å; Y246-W292 HydrophobicContact CD1-CZ3 4.5Å; Y246-W292 HydrophobicContact CG-CZ2 4.26Å; N286-W292 HydrophobicContact CB-CE3 4.06Å; N286-W292 HydrophobicContact CB-CH2 4.36Å; N286-W292 HydrophobicContact CB-CZ3 3.6Å; N286-W292 WeakPolarHBondContact ND2-CH2 3.49Å; N286-W292 WeakPolarHBondContact ND2-CZ3 3.47Å; W288-W292 HydrophobicContact CB-CB 4.32Å; W288-W292 HydrophobicContact CB-CD2 4.46Å; W288-W292 HydrophobicContact CB-CG 4.31Å; W288-W292 AromaticContact CE3-CD2 3.77Å; W288-W292 HydrophobicContact CE3-CD2 3.77Å; W288-W292 AromaticContact CE3-CE2 3.48Å; W288-W292 VanDerWaalsContact CE3-CE2 3.48Å; W288-W292 HydrophobicContact CE3-CE3 4.34Å; W288-W292 HydrophobicContact CE3-CG 4.13Å; W288-W292 HydrophobicContact CE3-CH2 4.41Å; W288-W292 AromaticContact CE3-CZ2 3.85Å; W288-W292 HydrophobicContact CE3-CZ2 3.85Å; W288-W292 AromaticContact CE3-NE1 3.63Å; W288-W292 HydrophobicContact CZ3-CD2 4.4Å; W288-W292 AromaticContact CZ3-CE2 3.69Å; W288-W292 HydrophobicContact CZ3-CH2 4.3Å; W288-W292 AromaticContact CZ3-CZ2 3.63Å; W288-W292 HydrophobicContact CZ3-CZ2 3.63Å; W288-W292 AromaticContact CZ3-NE1 3.86Å; G289-W292 PolarHBondContact O-N 3.32Å; V290-W292 PolarHBondContact O-N 2.99Å; W292-G296 WeakPolarHBondContact O-CA 3.28Å; W292-G296 PolarHBondContact O-N 3.36Å; W292-F298 HydrophobicContact CH2-CB 3.78Å; W292-F298 AromaticContact CH2-CD1 3.63Å; W292-F298 HydrophobicContact CH2-CD1 3.63Å; W292-F298 HydrophobicContact CH2-CE1 4.45Å; W292-F298 AromaticContact CH2-CG 3.91Å; W292-F298 HydrophobicContact CH2-CG 3.91Å; W292-F298 HydrophobicContact CZ3-CB 4.12Å; W292-F298 AromaticContact CZ3-CD1 3.84Å; W292-F298 HydrophobicContact CZ3-CD1 3.84Å; W292-F298 HydrophobicContact CZ3-CG 4.37Å
293G98.6Very high98.4Very high21 Ų2133 Ų3322%0.21618%0.179CC..THydrogen-bonded Turntrans62-148.1176.700000114.5Q247 N295Q247-G293 CarbonylContact O-C 3.46Å; Q247-G293 VanDerWaalsContact O-CA 3.24Å; Q247-G293 WeakPolarHBondContact O-CA 3.49Å; G293-N295 PolarHBondContact O-N 3.2Å
294E98.6Very high98.3Very high54 Ų5435.9 Ų35.925%0.25220%0.195SC..BIsolated β-bridgetrans-87.374.3177.4-61.1-175.6-148.500109.7Y246 Q247 H248 G249 G296 Y297 R299Y246-E294 HydrophobicContact CE1-CG 4.42Å; Y246-E294 PolarHBondContact OH-OE1 3.35Å; Q247-E294 PolarHBondContact O-N 2.95Å; H248-E294 WeakPolarHBondContact CA-OE1 3.33Å; H248-E294 HydrophobicContact CB-CG 3.58Å; G249-E294 PolarHBondContact N-OE1 2.9Å; E294-G296 VanDerWaalsContact C-N 3.34Å; E294-G296 PolarHBondContact O-N 3.24Å; E294-Y297 PolarHBondContact N-O 3.04Å; E294-Y297 WeakPolarHBondContact O-CB 3.34Å; E294-Y297 PolarHBondContact O-N 3.47Å; E294-R299 IonicContact OE1-CZ 3.01Å; E294-R299 IonicContact OE1-NE 2.77Å; E294-R299 PolarHBondContact OE1-NE 2.93Å; E294-R299 IonicContact OE1-NH2 2.66Å; E294-R299 PolarHBondContact OE1-NH2 2.78Å; E294-R299 IonicContact OE2-CZ 3.16Å; E294-R299 IonicContact OE2-NE 3.29Å; E294-R299 PolarHBondContact OE2-NE 3.39Å; E294-R299 IonicContact OE2-NH2 2.84Å; E294-R299 PolarHBondContact OE2-NH2 3.07Å
295N98.3Very high98.2Very high125 Ų12536.1 Ų36.167%0.66820%0.197SC*.THydrogen-bonded Turntrans56.144.7-173-57.7-51.9000112.6V290 G293 Y297V290-N295 WeakPolarHBondContact O-CA 3.37Å; G293-N295 PolarHBondContact O-N 3.2Å; N295-Y297 VanDerWaalsContact C-N 3.33Å; N295-Y297 WeakPolarHBondContact O-CD2 3.35Å
296G98.7Very high98.1Very high0 Ų035.6 Ų35.60%020%0.196CC..THydrogen-bonded Turntrans86.4-1.2-178.500000115.4N286 G289 W292 E294N286-G296 VanDerWaalsContact CB-O 3.31Å; N286-G296 WeakPolarHBondContact CB-O 3.43Å; N286-G296 PolarHBondContact N-O 3.04Å; G289-G296 WeakPolarHBondContact O-CA 3.12Å; W292-G296 WeakPolarHBondContact O-CA 3.28Å; W292-G296 PolarHBondContact O-N 3.36Å; E294-G296 VanDerWaalsContact C-N 3.34Å; E294-G296 PolarHBondContact O-N 3.24Å
297Y98.9Very high98Very high29 Ų2935.7 Ų35.711%0.11420%0.196CC..EExtended strand (participates in β ladder)trans-104.5163.3173.9-62.8-92.8000111.5R112 V120 V270 I283 V284 K285 E294 N295R112-Y297 VanDerWaalsContact CD-CE1 3.42Å; R112-Y297 VanDerWaalsContact CD-CZ 3.41Å; R112-Y297 HydrophobicContact CG-CE1 4.28Å; V120-Y297 HydrophobicContact CG2-CD2 4.06Å; V120-Y297 HydrophobicContact CG2-CE2 3.5Å; V120-Y297 VanDerWaalsContact CG2-CE2 3.5Å; V270-Y297 HydrophobicContact CG2-CD1 4.28Å; V270-Y297 HydrophobicContact CG2-CE1 4.05Å; I283-Y297 HydrophobicContact CG2-CD1 4.36Å; V284-Y297 CarbonylContact O-C 3.58Å; V284-Y297 VanDerWaalsContact O-CA 3.22Å; V284-Y297 WeakPolarHBondContact O-CA 3.03Å; V284-Y297 WeakPolarHBondContact O-CB 2.91Å; V284-Y297 WeakPolarHBondContact O-CD1 3.41Å; K285-Y297 HydrophobicContact CB-CD1 3.93Å; K285-Y297 HydrophobicContact CB-CE1 3.53Å; K285-Y297 HydrophobicContact CD-CE1 4.42Å; K285-Y297 HydrophobicContact CG-CD1 4.38Å; K285-Y297 HydrophobicContact CG-CE1 3.73Å; E294-Y297 PolarHBondContact N-O 3.04Å; E294-Y297 WeakPolarHBondContact O-CB 3.34Å; E294-Y297 PolarHBondContact O-N 3.47Å; N295-Y297 VanDerWaalsContact C-N 3.33Å; N295-Y297 WeakPolarHBondContact O-CD2 3.35Å
298F98.8Very high97.8Very high1 Ų135.4 Ų35.40%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-142162.2165.566.7-79.3000110.8M238 L243 Y246 V267 V284 N286 W292 M300M238-F298 HydrophobicContact CE-CE2 4.26Å; M238-F298 HydrophobicContact CE-CZ 4.38Å; M238-F298 HydrophobicContact SD-CE2 3.93Å; M238-F298 HydrophobicContact SD-CZ 3.53Å; M238-F298 VanDerWaalsContact SD-CZ 3.53Å; L243-F298 HydrophobicContact CD1-CD1 4.44Å; L243-F298 HydrophobicContact CD1-CD2 4.01Å; L243-F298 HydrophobicContact CD1-CE1 4.1Å; L243-F298 HydrophobicContact CD1-CE2 3.65Å; L243-F298 HydrophobicContact CD1-CG 4.39Å; L243-F298 HydrophobicContact CD1-CZ 3.69Å; L243-F298 HydrophobicContact CD2-CD2 4.32Å; Y246-F298 HydrophobicContact CD1-CB 3.69Å; Y246-F298 HydrophobicContact CE1-CB 3.22Å; Y246-F298 HydrophobicContact CE2-CB 4.25Å; Y246-F298 HydrophobicContact CG-CB 4.37Å; Y246-F298 WeakPolarHBondContact OH-CA 3.24Å; V267-F298 HydrophobicContact CG1-CE1 4.22Å; V267-F298 HydrophobicContact CG1-CZ 4.39Å; V267-F298 HydrophobicContact CG2-CZ 4.32Å; V284-F298 HydrophobicContact CB-CD1 3.86Å; V284-F298 HydrophobicContact CB-CD2 4.23Å; V284-F298 HydrophobicContact CB-CE1 3.47Å; V284-F298 VanDerWaalsContact CB-CE1 3.47Å; V284-F298 HydrophobicContact CB-CE2 3.87Å; V284-F298 HydrophobicContact CB-CG 4.23Å; V284-F298 HydrophobicContact CB-CZ 3.48Å; V284-F298 VanDerWaalsContact CB-CZ 3.48Å; V284-F298 HydrophobicContact CG1-CD1 4.23Å; V284-F298 HydrophobicContact CG1-CE1 3.37Å; V284-F298 HydrophobicContact CG1-CE2 4.16Å; V284-F298 HydrophobicContact CG1-CZ 3.33Å; V284-F298 HydrophobicContact CG2-CD2 4.3Å; V284-F298 HydrophobicContact CG2-CE1 4.36Å; V284-F298 HydrophobicContact CG2-CE2 3.85Å; V284-F298 HydrophobicContact CG2-CZ 3.89Å; V284-F298 PolarHBondContact N-O 2.92Å; V284-F298 PolarHBondContact O-N 3.4Å; N286-F298 HydrophobicContact CB-CD1 4.25Å; N286-F298 HydrophobicContact CB-CE1 4.27Å; W292-F298 HydrophobicContact CH2-CB 3.78Å; W292-F298 AromaticContact CH2-CD1 3.63Å; W292-F298 HydrophobicContact CH2-CD1 3.63Å; W292-F298 HydrophobicContact CH2-CE1 4.45Å; W292-F298 AromaticContact CH2-CG 3.91Å; W292-F298 HydrophobicContact CH2-CG 3.91Å; W292-F298 HydrophobicContact CZ3-CB 4.12Å; W292-F298 AromaticContact CZ3-CD1 3.84Å; W292-F298 HydrophobicContact CZ3-CD1 3.84Å; W292-F298 HydrophobicContact CZ3-CG 4.37Å; F298-M300 HydrophobicContact CD2-CB 4.42Å; F298-M300 HydrophobicContact CD2-CE 4.38Å; F298-M300 HydrophobicContact CE2-CB 4.1Å; F298-M300 HydrophobicContact CE2-CE 3.91Å
299R98.8Very high97.8Very high64 Ų6435.3 Ų35.324%0.24219%0.194CC..EExtended strand (participates in β ladder)trans-108.4125.1173-65.9175.6-76178.4-10.6110Y246 I250 S251 F281 W282 E294Y246-R299 PolarHBondContact OH-N 3.02Å; I250-R299 HydrophobicContact CG1-CB 4.19Å; S251-R299 WeakPolarHBondContact CB-O 3.13Å; S251-R299 PolarHBondContact N-O 3.23Å; F281-R299 HydrophobicContact CB-CB 4.34Å; F281-R299 HydrophobicContact CD2-CB 4.1Å; F281-R299 HydrophobicContact CD2-CG 3.77Å; F281-R299 HydrophobicContact CE2-CG 4.09Å; F281-R299 HydrophobicContact CG-CB 4.38Å; F281-R299 HydrophobicContact CG-CG 4.45Å; W282-R299 VanDerWaalsContact O-CA 3.27Å; W282-R299 WeakPolarHBondContact O-CA 3.45Å; E294-R299 IonicContact OE1-CZ 3.01Å; E294-R299 IonicContact OE1-NE 2.77Å; E294-R299 PolarHBondContact OE1-NE 2.93Å; E294-R299 IonicContact OE1-NH2 2.66Å; E294-R299 PolarHBondContact OE1-NH2 2.78Å; E294-R299 IonicContact OE2-CZ 3.16Å; E294-R299 IonicContact OE2-NE 3.29Å; E294-R299 PolarHBondContact OE2-NE 3.39Å; E294-R299 IonicContact OE2-NH2 2.84Å; E294-R299 PolarHBondContact OE2-NH2 3.07Å
300M98.6Very high97.6Very high0 Ų036.1 Ų36.10%020%0.196CC..EExtended strand (participates in β ladder)trans-109139174.5-175.857.764.100109.2M238 L243 F281 W282 V284 F298 R302 C307 I309M238-M300 HydrophobicContact CE-CE 3.48Å; M238-M300 VanDerWaalsContact CE-CE 3.48Å; L243-M300 HydrophobicContact CD2-CE 4.44Å; F281-M300 CarbonylContact C-O 3.51Å; F281-M300 WeakPolarHBondContact CA-O 3.5Å; F281-M300 WeakPolarHBondContact CB-O 3.5Å; W282-M300 HydrophobicContact CB-CB 4.45Å; W282-M300 PolarHBondContact N-O 3.12Å; W282-M300 PolarHBondContact O-N 3.22Å; V284-M300 HydrophobicContact CG2-CB 4.41Å; F298-M300 HydrophobicContact CD2-CB 4.42Å; F298-M300 HydrophobicContact CD2-CE 4.38Å; F298-M300 HydrophobicContact CE2-CB 4.1Å; F298-M300 HydrophobicContact CE2-CE 3.91Å; M300-R302 PolarHBondContact O-N 3.39Å; M300-C307 HydrophobicContact CE-CB 4.25Å; M300-I309 HydrophobicContact CB-CD1 3.97Å; M300-I309 HydrophobicContact CG-CD1 3.99Å; M300-I309 HydrophobicContact CG-CG2 4.42Å
301Y98.4Very high97.4Very high54 Ų5434.3 Ų34.321%0.21219%0.185CC..EExtended strand (participates in β ladder)trans-57.1137.4173-178.1-90.9000111.1S251 H252 P280 D304S251-Y301 PolarHBondContact O-N 2.79Å; H252-Y301 HydrophobicContact CB-CG 4.3Å; H252-Y301 VanDerWaalsContact CD2-CB 3.45Å; H252-Y301 WeakPolarHBondContact CD2-CB 3.36Å; H252-Y301 AromaticContact CD2-CD1 3.64Å; H252-Y301 AromaticContact CD2-CG 3.51Å; H252-Y301 AromaticContact CE1-CD1 3.49Å; H252-Y301 VanDerWaalsContact CE1-CD1 3.49Å; H252-Y301 WeakPolarHBondContact CE1-CD1 3.47Å; H252-Y301 AromaticContact CE1-CD2 3.63Å; H252-Y301 AromaticContact CE1-CE1 3.59Å; H252-Y301 AromaticContact CE1-CE2 3.73Å; H252-Y301 AromaticContact CE1-CG 3.5Å; H252-Y301 AromaticContact CE1-CZ 3.71Å; H252-Y301 AromaticContact CG-CD2 4Å; H252-Y301 AromaticContact CG-CG 3.67Å; H252-Y301 AromaticContact ND1-CD2 3.67Å; H252-Y301 AromaticContact ND1-CG 3.73Å; H252-Y301 AromaticContact NE2-CD1 3.12Å; H252-Y301 WeakPolarHBondContact NE2-CD1 3.42Å; H252-Y301 AromaticContact NE2-CE1 3.54Å; H252-Y301 AromaticContact NE2-CG 3.39Å; P280-Y301 HydrophobicContact CG-CE2 4.15Å; Y301-D304 WeakPolarHBondContact CD1-OD1 3.35Å; Y301-D304 HydrophobicContact CE1-CB 4.34Å
302R98Very high97.2Very high41 Ų4129.9 Ų29.916%0.15517%0.166CC..  trans-113.8125.8179.8174174.972.3900.1109.8E221 P280 W282 M300E221-R302 HydrophobicContact CB-CG 4.26Å; P280-R302 HydrophobicContact CB-CB 4.27Å; P280-R302 WeakPolarHBondContact CB-O 3.35Å; P280-R302 WeakPolarHBondContact CG-O 3.34Å; P280-R302 PolarHBondContact O-N 2.76Å; W282-R302 HydrophobicContact CD2-CB 4.09Å; W282-R302 HydrophobicContact CD2-CG 3.98Å; W282-R302 HydrophobicContact CG-CB 4.11Å; W282-R302 HydrophobicContact CG-CG 4.5Å; W282-R302 HydrophobicContact CH2-CG 4.03Å; W282-R302 HydrophobicContact CZ2-CB 4.38Å; W282-R302 HydrophobicContact CZ2-CG 3.45Å; W282-R302 VanDerWaalsContact CZ2-CG 3.45Å; W282-R302 VanDerWaalsContact CZ3-CD 3.41Å; W282-R302 HydrophobicContact CZ3-CG 4.49Å; M300-R302 PolarHBondContact O-N 3.39Å
303G96.8Very high97Very high54 Ų5430 Ų3056%0.55717%0.168SC*.SBendtrans136.2-8.5172.700000114.7E221E221-G303 VanDerWaalsContact CD-N 3.33Å; E221-G303 PolarHBondContact OE1-N 3.15Å; E221-G303 WeakPolarHBondContact OE2-CA 3.44Å; E221-G303 PolarHBondContact OE2-N 3.16Å
304D96.1Very high96.9Very high78 Ų7829.1 Ų29.142%0.41716%0.158SC..SBendtrans-131.810.9175.569.8-2.2000113.8R58 E221 H252 Y301 S306R58-D304 IonicContact NH1-OD2 3.22Å; R58-D304 IonicContact NH2-OD2 2.91Å; R58-D304 PolarHBondContact NH2-OD2 2.67Å; E221-D304 PolarHBondContact OE2-N 3.31Å; H252-D304 IonicContact CD2-OD2 3.35Å; H252-D304 IonicContact CE1-OD2 3.37Å; H252-D304 IonicContact NE2-OD1 2.87Å; H252-D304 IonicContact NE2-OD2 2.96Å; H252-D304 PolarHBondContact NE2-OD2 2.82Å; Y301-D304 WeakPolarHBondContact CD1-OD1 3.35Å; Y301-D304 HydrophobicContact CE1-CB 4.34Å; D304-S306 VanDerWaalsContact C-N 3.3Å; D304-S306 PolarHBondContact O-N 3.33Å; D304-S306 WeakPolarHBondContact OD1-CB 3.44Å; D304-S306 PolarHBondContact OD1-N 3.16Å; D304-S306 VanDerWaalsContact OD1-N 3.09Å; D304-S306 PolarHBondContact OD1-OG 2.91Å
305G96.5Very high96.8Very high4 Ų426.6 Ų26.64%0.04115%0.146CC..  trans62.635.3-175.700000113.4E221 C307 G308 N310E221-G305 PolarHBondContact OE2-N 3.5Å; G305-C307 PolarHBondContact O-N 3.01Å; G305-G308 WeakPolarHBondContact O-CA 3.43Å; G305-G308 PolarHBondContact O-N 3.25Å; G305-N310 WeakPolarHBondContact CA-OD1 3.48Å
306S97.1Very high96.8Very high8 Ų820.6 Ų20.66%0.05611%0.114CC..G310 helixtrans-44.4131.5179.4-82.60000112.5H252 D304 G308 I309H252-S306 PolarHBondContact CD2-OG 3.45Å; D304-S306 VanDerWaalsContact C-N 3.3Å; D304-S306 PolarHBondContact O-N 3.33Å; D304-S306 WeakPolarHBondContact OD1-CB 3.44Å; D304-S306 PolarHBondContact OD1-N 3.16Å; D304-S306 VanDerWaalsContact OD1-N 3.09Å; D304-S306 PolarHBondContact OD1-OG 2.91Å; S306-G308 PolarHBondContact O-N 3.37Å; S306-I309 WeakPolarHBondContact O-CB 3.46Å; S306-I309 WeakPolarHBondContact O-CG2 3.13Å; S306-I309 PolarHBondContact O-N 2.88Å; S306-I309 VanDerWaalsContact O-N 3.16Å
307C96.4Very high96.7Very high6 Ų621.7 Ų21.74%0.04112%0.12CC..G310 helixtrans57.815.1-176.6-63.10000115.2M238 N239 C258 M300 G305 I309M238-C307 CarbonylContact C-O 3.48Å; M238-C307 WeakPolarHBondContact CA-O 3.35Å; M238-C307 HydrophobicContact CB-CB 4.4Å; M238-C307 HydrophobicContact CE-CB 3.64Å; N239-C307 PolarHBondContact N-O 3.4Å; C258-C307 HydrophobicContact CB-CB 4.04Å; C258-C307 WeakPolarHBondContact CB-SG 3.49Å; C258-C307 VanDerWaalsContact SG-CA 3.57Å; C258-C307 WeakPolarHBondContact SG-CB 3.47Å; C258-C307 CovalentContact SG-SG 2.01Å; C258-C307 PolarHBondContact SG-SG 2.94Å; M300-C307 HydrophobicContact CE-CB 4.25Å; G305-C307 PolarHBondContact O-N 3.01Å; C307-I309 VanDerWaalsContact C-N 3.32Å
308G95.5Very high96.6Very high0 Ų020.8 Ų20.80%012%0.116CC..G310 helixtrans75.714.7-17700000114.7G305 S306 N310 T311G305-G308 WeakPolarHBondContact O-CA 3.43Å; G305-G308 PolarHBondContact O-N 3.25Å; S306-G308 PolarHBondContact O-N 3.37Å; G308-N310 PolarHBondContact O-N 3.44Å; G308-T311 WeakPolarHBondContact CA-OG1 3.47Å; G308-T311 WeakPolarHBondContact O-CB 3.42Å; G308-T311 PolarHBondContact O-N 3.14Å; G308-T311 PolarHBondContact O-OG1 3.32Å
309I96.6Very high96.2Very high1 Ų128.5 Ų28.51%0.00515%0.147CC..THydrogen-bonded Turntrans-57.7-20.3-172.5-160.8165.7000114.9V236 G237 M238 L269 V284 M300 S306 C307V236-I309 HydrophobicContact CB-CG1 4.39Å; V236-I309 WeakPolarHBondContact CB-O 3.22Å; V236-I309 HydrophobicContact CG2-CD1 4.38Å; V236-I309 HydrophobicContact CG2-CG1 3.7Å; G237-I309 WeakPolarHBondContact O-CA 3.43Å; M238-I309 HydrophobicContact CB-CB 4.39Å; M238-I309 HydrophobicContact SD-CD1 4.4Å; L269-I309 HydrophobicContact CD2-CD1 3.78Å; L269-I309 HydrophobicContact CD2-CG1 4.23Å; V284-I309 HydrophobicContact CG2-CD1 4.02Å; M300-I309 HydrophobicContact CB-CD1 3.97Å; M300-I309 HydrophobicContact CG-CD1 3.99Å; M300-I309 HydrophobicContact CG-CG2 4.42Å; S306-I309 WeakPolarHBondContact O-CB 3.46Å; S306-I309 WeakPolarHBondContact O-CG2 3.13Å; S306-I309 PolarHBondContact O-N 2.88Å; S306-I309 VanDerWaalsContact O-N 3.16Å; C307-I309 VanDerWaalsContact C-N 3.32Å
310N95.7Very high96.1Very high25 Ų2526.8 Ų26.813%0.13414%0.142CC..THydrogen-bonded Turntrans-98.90.4176.867.7-31.2000113.7Q219 E221 L224 G305 G308Q219-N310 WeakPolarHBondContact CA-O 3.31Å; Q219-N310 WeakPolarHBondContact CG-O 3.34Å; Q219-N310 PolarHBondContact O-ND2 3.33Å; E221-N310 HydrophobicContact CG-CB 3.78Å; L224-N310 HydrophobicContact CD1-CB 3.84Å; G305-N310 WeakPolarHBondContact CA-OD1 3.48Å; G308-N310 PolarHBondContact O-N 3.44Å
311T93.2Very high95.9Very high38 Ų3828.2 Ų28.223%0.23315%0.15CC..THydrogen-bonded Turntrans-75.1-41.1-170.1-540000111.9Q219 L263 G308Q219-T311 PolarHBondContact NE2-O 3.31Å; Q219-T311 VanDerWaalsContact NE2-O 3.15Å; L263-T311 HydrophobicContact CD1-CG2 4.19Å; G308-T311 WeakPolarHBondContact CA-OG1 3.47Å; G308-T311 WeakPolarHBondContact O-CB 3.42Å; G308-T311 PolarHBondContact O-N 3.14Å; G308-T311 PolarHBondContact O-OG1 3.32Å
312V92.3Very high95.8Very high24 Ų2426.7 Ų26.715%0.14515%0.146CC..SBendtrans-129.1101.9177.6-179.70000106.9W85 V87 V236 G237 L263 T314W85-V312 HydrophobicContact CE3-CB 4.08Å; W85-V312 HydrophobicContact CE3-CG1 4.07Å; W85-V312 HydrophobicContact CE3-CG2 4.13Å; W85-V312 HydrophobicContact CZ3-CB 3.82Å; W85-V312 HydrophobicContact CZ3-CG1 3.67Å; W85-V312 HydrophobicContact CZ3-CG2 4.39Å; V87-V312 HydrophobicContact CB-CG2 4.34Å; V87-V312 HydrophobicContact CG1-CG2 3.9Å; V87-V312 HydrophobicContact CG2-CG2 3.45Å; V87-V312 VanDerWaalsContact CG2-CG2 3.45Å; V236-V312 CarbonylContact C-O 3.6Å; V236-V312 WeakPolarHBondContact CA-O 3.37Å; G237-V312 PolarHBondContact N-O 3.49Å; L263-V312 HydrophobicContact CD1-CB 4.26Å; L263-V312 HydrophobicContact CD1-CG2 3.68Å; V312-T314 HydrophobicContact CG1-CG2 4.47Å
313A95.3Very high95.7Very high4 Ų425.9 Ų25.93%0.03315%0.146CC..EExtended strand (participates in β ladder)trans-123.5127.517900000109.1L217 L224 I234 V236L217-A313 HydrophobicContact CB-CB 3.99Å; L217-A313 PolarHBondContact N-O 3.21Å; L224-A313 HydrophobicContact CD1-CB 4.32Å; L224-A313 HydrophobicContact CD2-CB 3.68Å; I234-A313 HydrophobicContact CG2-CB 3.92Å; V236-A313 HydrophobicContact CG1-CB 4.01Å
314T96.2Very high95.6Very high2 Ų224.1 Ų24.11%0.01212%0.12CC..EExtended strand (participates in β ladder)trans-142.5153.4-17461.80000111.7V215 N216 S235 V312V215-T314 VanDerWaalsContact O-CA 3.24Å; V215-T314 WeakPolarHBondContact O-CA 3.18Å; N216-T314 WeakPolarHBondContact OD1-CG2 3.28Å; S235-T314 PolarHBondContact N-O 3.15Å; S235-T314 PolarHBondContact O-N 3.39Å; S235-T314 PolarHBondContact O-OG1 3.32Å; V312-T314 HydrophobicContact CG1-CG2 4.47Å
315S97.5Very high95.6Very high0 Ų020.5 Ų20.50%010%0.1CC..EExtended strand (participates in β ladder)trans-145.1142.2174.2-178.20000110.4N137 Q141 S214 V215N137-S315 PolarHBondContact ND2-OG 3.21Å; Q141-S315 PolarHBondContact NE2-OG 2.81Å; S214-S315 CarbonylContact C-O 3.6Å; S214-S315 VanDerWaalsContact CA-O 3.27Å; S214-S315 WeakPolarHBondContact CA-O 3.3Å; V215-S315 PolarHBondContact N-O 2.97Å; V215-S315 PolarHBondContact O-N 3.45Å; V215-S315 VanDerWaalsContact O-N 3.08Å
316A97.8Very high95.5Very high0 Ų021.7 Ų21.70%010%0.104CC..EExtended strand (participates in β ladder)trans-64.6157.4161.500000110.8N137 V138 Q141 Y176 I211N137-A316 WeakPolarHBondContact OD1-CB 3.29Å; N137-A316 PolarHBondContact OD1-N 3.24Å; V138-A316 HydrophobicContact CG2-CB 4.03Å; Q141-A316 VanDerWaalsContact CD-O 3.31Å; Q141-A316 HydrophobicContact CG-CB 4.44Å; Q141-A316 WeakPolarHBondContact CG-O 3.42Å; Q141-A316 PolarHBondContact NE2-O 2.76Å; Q141-A316 VanDerWaalsContact NE2-O 3.16Å; Y176-A316 HydrophobicContact CD1-CB 3.91Å; Y176-A316 HydrophobicContact CE1-CB 3.78Å; I211-A316 HydrophobicContact CB-CB 4.21Å; I211-A316 HydrophobicContact CD1-CB 4Å; I211-A316 HydrophobicContact CG2-CB 3.81Å
317M96.9Very high95.4Very high23 Ų2322.8 Ų22.811%0.11311%0.108CC..EExtended strand (participates in β ladder)trans-127.8136.1175.5-62.4-60-66.800110N212 S213 V215 W227 Y319N212-M317 PolarHBondContact N-O 3.38Å; S213-M317 PolarHBondContact N-O 3.38Å; S213-M317 PolarHBondContact O-N 3.01Å; S213-M317 WeakPolarHBondContact OG-CB 3.18Å; V215-M317 HydrophobicContact CG1-CG 3.93Å; V215-M317 HydrophobicContact CG1-SD 4.4Å; V215-M317 HydrophobicContact CG2-CG 4.33Å; V215-M317 HydrophobicContact CG2-SD 4.12Å; W227-M317 HydrophobicContact CH2-CE 4.35Å; W227-M317 HydrophobicContact CH2-SD 3.69Å; W227-M317 HydrophobicContact CZ2-SD 3.78Å; M317-Y319 HydrophobicContact CB-CE1 4.12Å; M317-Y319 HydrophobicContact CB-CE2 4.45Å; M317-Y319 HydrophobicContact CE-CE1 3.95Å
318I96.1Very high95.3Very high9 Ų924.2 Ų24.25%0.04611%0.114CC..  trans-131.2120.6177-46.6-176000107.1Q141 W142 K145 Y210 I211 N212Q141-I318 HydrophobicContact CB-CD1 3.82Å; Q141-I318 HydrophobicContact CB-CG1 4.13Å; W142-I318 HydrophobicContact CB-CD1 4.32Å; W142-I318 HydrophobicContact CE3-CD1 3.81Å; K145-I318 HydrophobicContact CB-CB 4.48Å; K145-I318 HydrophobicContact CB-CG2 4.27Å; K145-I318 HydrophobicContact CD-CG2 4.5Å; K145-I318 HydrophobicContact CG-CG2 3.87Å; Y210-I318 HydrophobicContact CE2-CG2 4.13Å; I211-I318 HydrophobicContact CG2-CD1 4.35Å; I211-I318 HydrophobicContact CG2-CG1 4.27Å; N212-I318 WeakPolarHBondContact OD1-CA 3.47Å
319Y90.3Very high95.3Very high164 Ų16426.4 Ų26.464%0.64312%0.124SC*.  trans-100.60-175.6-53-59.7000112.7K145 N212 S213 M317K145-Y319 VanDerWaalsContact CE-O 3.24Å; K145-Y319 WeakPolarHBondContact CE-O 3.31Å; K145-Y319 PolarHBondContact NZ-O 3.46Å; K145-Y319 PolarHBondContact NZ-OXT 2.8Å; N212-Y319 HydrophobicContact CB-CD2 3.47Å; N212-Y319 VanDerWaalsContact CB-CD2 3.47Å; N212-Y319 HydrophobicContact CB-CE2 3.71Å; N212-Y319 HydrophobicContact CB-CG 4.49Å; N212-Y319 PolarHBondContact OD1-N 3.3Å; S213-Y319 PolarHBondContact OG-OH 2.92Å; M317-Y319 HydrophobicContact CB-CE1 4.12Å; M317-Y319 HydrophobicContact CB-CE2 4.45Å; M317-Y319 HydrophobicContact CE-CE1 3.95Å

Retrieved 319 of 319 residues in 149.8 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).