A0A087X610_POEFO Loading...

Cholinergic receptor nicotinic alpha 9 subunit

AlphaFold DB , UniProt , Accession A0A087X610, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 556 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
1M39.2Very low46.7Very low228 Ų228167.9 Ų167.9100%1.12385%0.845SS**  0108.10178.8-168.4-80.700107.4
2F41.6Very low47.1Very low175 Ų175163.7 Ų163.777%0.76883%0.833SS**  cis-125.6144-17.1-104-99.7000107.3T4F2-T4 WeakPolarHBondContact CD1-OG1 3.46Å
3R42.8Very low47.5Very low251 Ų251163.8 Ų163.895%0.94784%0.836SS**  trans-136.245.6178.7-151.7-176.9-166.2-155.93.6111
4T50.6Low47.8Very low101 Ų101161.9 Ų161.962%0.6283%0.828SS**  trans-152.989-168.630.20000109.2F2F2-T4 WeakPolarHBondContact CD1-OG1 3.46Å
5I48.6Very low48Very low173 Ų173157.6 Ų157.689%0.88782%0.815SS**  trans-177.985.2154.7-86.5142.1000105.3
6Q42.6Very low48.1Very low195 Ų195159.4 Ų159.491%0.91182%0.818SS**SBendtrans-164.822.2165.1-134.2177.96.700114.4
7V49.9Very low48.3Very low139 Ų139154.9 Ų154.984%0.84280%0.799SS**SBendtrans-119.1-5-171.2-174.80000112.8
8I52.7Low48.6Very low170 Ų170153.2 Ų153.287%0.87280%0.797SS**SBendtrans-119.468.8-177.1-46.7179.8000110
9C45Very low49Very low108 Ų108155.1 Ų155.173%0.7379%0.794SS**  trans-154.132.2158-149.80000112I11C9-I11 PolarHBondContact O-N 3.41Å
10L47.3Very low49.4Very low169 Ų169153 Ų15389%0.88579%0.793SS**  trans-81.471.2164-160.780000107.8V12L10-V12 PolarHBondContact O-N 3.05Å
11I53.8Low50.1Low138 Ų138147.6 Ų147.671%0.70877%0.771SS**  trans-61.5133.3175.3-69.9178.8000108C9 L13C9-I11 PolarHBondContact O-N 3.41Å; I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 3.01Å
12V51.4Low51.7Low117 Ų117141.9 Ų141.971%0.70974%0.741SS**  trans-71.587.1-176176.50000109.4L10 L14L10-V12 PolarHBondContact O-N 3.05Å; V12-L14 HydrophobicContact CG1-CB 4.38Å; V12-L14 HydrophobicContact CG1-CD1 4.08Å; V12-L14 HydrophobicContact CG1-CG 3.69Å; V12-L14 PolarHBondContact O-N 2.86Å
13L51.6Low53.5Low165 Ų165136.3 Ų136.386%0.86473%0.733SS**  trans-7179.1153.1-77.6167.2000107.5I11I11-L13 VanDerWaalsContact C-N 3.31Å; I11-L13 PolarHBondContact O-N 3.01Å
14L51.8Low55.6Low138 Ų138130 Ų13072%0.72371%0.714SS**  trans-57.6124.8152.2-85.8161.3000106.2V12 E16V12-L14 HydrophobicContact CG1-CB 4.38Å; V12-L14 HydrophobicContact CG1-CD1 4.08Å; V12-L14 HydrophobicContact CG1-CG 3.69Å; V12-L14 PolarHBondContact O-N 2.86Å; L14-E16 PolarHBondContact O-N 3.43Å
15P51.5Low57.4Low97 Ų97128.9 Ų128.963%0.6370%0.699SS**  trans-60.1137.3160.828.3-32.1000107V17P15-V17 VanDerWaalsContact C-N 3.3Å; P15-V17 PolarHBondContact O-N 2.92Å
16E48.7Very low59.3Low186 Ų186122.3 Ų122.387%0.86967%0.671SS**  trans-61.4103.4159.9-74-175.1134.800106.4L14 V18L14-E16 PolarHBondContact O-N 3.43Å; E16-V18 VanDerWaalsContact C-N 3.29Å; E16-V18 PolarHBondContact O-N 3.38Å
17V52.4Low61.6Low83 Ų83119.4 Ų119.450%0.50366%0.657SS.*  trans-68.797.9172178.20000105.2P15 Y19P15-V17 VanDerWaalsContact C-N 3.3Å; P15-V17 PolarHBondContact O-N 2.92Å; V17-Y19 HydrophobicContact CB-CD2 4.17Å; V17-Y19 HydrophobicContact CB-CE2 3.78Å; V17-Y19 HydrophobicContact CG1-CD1 4.2Å; V17-Y19 HydrophobicContact CG1-CD2 3.91Å; V17-Y19 HydrophobicContact CG1-CE1 4Å; V17-Y19 HydrophobicContact CG1-CE2 3.68Å; V17-Y19 HydrophobicContact CG1-CG 4.16Å; V17-Y19 WeakPolarHBondContact O-CD2 3.46Å; V17-Y19 PolarHBondContact O-N 2.89Å
18V53Low63.7Low125 Ų125117 Ų11776%0.75864%0.636SS**  trans-64.891.3168.4-179.20000106.5E16 C20E16-V18 VanDerWaalsContact C-N 3.29Å; E16-V18 PolarHBondContact O-N 3.38Å; V18-C20 PolarHBondContact O-N 3.4Å
19Y55.7Low65.6Low189 Ų189109 Ų10974%0.74159%0.594SS**  trans-66.6101.8172.2-73.7-84.4000107.5V17 A21V17-Y19 HydrophobicContact CB-CD2 4.17Å; V17-Y19 HydrophobicContact CB-CE2 3.78Å; V17-Y19 HydrophobicContact CG1-CD1 4.2Å; V17-Y19 HydrophobicContact CG1-CD2 3.91Å; V17-Y19 HydrophobicContact CG1-CE1 4Å; V17-Y19 HydrophobicContact CG1-CE2 3.68Å; V17-Y19 HydrophobicContact CG1-CG 4.16Å; V17-Y19 WeakPolarHBondContact O-CD2 3.46Å; V17-Y19 PolarHBondContact O-N 2.89Å; Y19-A21 PolarHBondContact O-N 3.43Å
20C58.2Low68Low113 Ų113106.4 Ų106.476%0.76457%0.573SS**PPolyproline II helixtrans-61.1123.1168.4-64.10000108.5V18 Q22V18-C20 PolarHBondContact O-N 3.4Å; C20-Q22 PolarHBondContact O-N 3.35Å
21A63.3Low70.2Confident40 Ų40102.9 Ų102.933%0.33156%0.555SS.*PPolyproline II helixtrans-48.7131.2-177.300000111.8Y19 G23 D95Y19-A21 PolarHBondContact O-N 3.43Å; A21-G23 PolarHBondContact O-N 2.88Å; A21-D95 WeakPolarHBondContact CA-OD2 3.36Å; A21-D95 HydrophobicContact CB-CB 4.18Å; A21-D95 WeakPolarHBondContact CB-O 3.47Å
22Q72.9Confident72.1Confident107 Ų107100.1 Ų100.150%0.554%0.542SS..PPolyproline II helixtrans-68.5124.9-179-59.7-178.1-19.500109.7C20 Q24 Y25 D95C20-Q22 PolarHBondContact O-N 3.35Å; Q22-Q24 HydrophobicContact CB-CG 4.01Å; Q22-Q24 PolarHBondContact O-N 2.83Å; Q22-Y25 HydrophobicContact CB-CD2 3.87Å; Q22-Y25 HydrophobicContact CB-CE2 4.05Å; Q22-Y25 HydrophobicContact CG-CE2 4.49Å; Q22-Y25 WeakPolarHBondContact O-CD2 3.09Å; Q22-Y25 PolarHBondContact O-N 2.92Å; Q22-D95 PolarHBondContact N-OD2 3.33Å
23G79.7Confident74.1Confident58 Ų5895.7 Ų95.760%0.59851%0.514SS*.Hα-helixtrans-56.1-17.4-173.700000116A21 Y25 A26 Q27A21-G23 PolarHBondContact O-N 2.88Å; G23-Y25 VanDerWaalsContact C-N 3.29Å; G23-Y25 PolarHBondContact O-N 3.34Å; G23-A26 PolarHBondContact O-N 3.27Å; G23-Q27 PolarHBondContact O-N 3.25Å; G23-Q27 VanDerWaalsContact O-N 3.13Å
24Q86.4Confident76.2Confident119 Ų11990 Ų9056%0.55648%0.483SS*.Hα-helixtrans-60-34.7169.363.5178.4-5.700113.2Q22 Q27 K28Q22-Q24 HydrophobicContact CB-CG 4.01Å; Q22-Q24 PolarHBondContact O-N 2.83Å; Q24-Q27 PolarHBondContact O-N 3.17Å; Q24-K28 WeakPolarHBondContact O-CB 3.18Å; Q24-K28 PolarHBondContact O-N 2.98Å
25Y88.4Confident78.1Confident77 Ų7789.7 Ų89.730%0.30248%0.483SS..Hα-helixtrans-71.6-35.1176.9-65.5-72.2000112Q22 G23 K28 L29 D95Q22-Y25 HydrophobicContact CB-CD2 3.87Å; Q22-Y25 HydrophobicContact CB-CE2 4.05Å; Q22-Y25 HydrophobicContact CG-CE2 4.49Å; Q22-Y25 WeakPolarHBondContact O-CD2 3.09Å; Q22-Y25 PolarHBondContact O-N 2.92Å; G23-Y25 VanDerWaalsContact C-N 3.29Å; G23-Y25 PolarHBondContact O-N 3.34Å; Y25-K28 PolarHBondContact O-N 2.73Å; Y25-L29 VanDerWaalsContact O-CB 3.24Å; Y25-L29 WeakPolarHBondContact O-CB 3.36Å; Y25-L29 PolarHBondContact O-N 3.3Å; Y25-D95 HydrophobicContact CD2-CB 3.34Å; Y25-D95 WeakPolarHBondContact CD2-OD2 3.47Å; Y25-D95 HydrophobicContact CE2-CB 3.71Å; Y25-D95 WeakPolarHBondContact CE2-OD2 3.3Å; Y25-D95 HydrophobicContact CG-CB 3.81Å
26A88.6Confident79.8Confident36 Ų3692.2 Ų92.230%0.29849%0.491SS..Hα-helixtrans-65.6-39.4172.800000112G23 L30 L97G23-A26 PolarHBondContact O-N 3.27Å; A26-L30 WeakPolarHBondContact O-CB 3.46Å; A26-L30 PolarHBondContact O-N 3.07Å; A26-L97 HydrophobicContact CB-CD2 3.69Å
27Q90.9Very high82Confident134 Ų13485.1 Ų85.163%0.62646%0.456SS*.Hα-helixtrans-69.9-39.3174.5-171.4174.510.900112.3G23 Q24 L30 N31G23-Q27 PolarHBondContact O-N 3.25Å; G23-Q27 VanDerWaalsContact O-N 3.13Å; Q24-Q27 PolarHBondContact O-N 3.17Å; Q27-L30 PolarHBondContact O-N 3.04Å; Q27-N31 PolarHBondContact O-N 3.04Å; Q27-N31 PolarHBondContact O-ND2 3.2Å
28K93.4Very high84Confident88 Ų8884.5 Ų84.538%0.38346%0.456SS..Hα-helixtrans-59.4-52.9172.5-179.8-171.5172.9-76.30110.5Q24 Y25 L30 N31 D32 Y94Q24-K28 WeakPolarHBondContact O-CB 3.18Å; Q24-K28 PolarHBondContact O-N 2.98Å; Y25-K28 PolarHBondContact O-N 2.73Å; K28-L30 VanDerWaalsContact C-N 3.31Å; K28-L30 PolarHBondContact O-N 3.47Å; K28-N31 PolarHBondContact O-N 2.81Å; K28-N31 VanDerWaalsContact O-N 3.1Å; K28-D32 WeakPolarHBondContact CE-OD2 3.47Å; K28-D32 WeakPolarHBondContact CG-OD2 3.47Å; K28-D32 IonicContact NZ-OD2 2.67Å; K28-D32 PolarHBondContact NZ-OD2 3.23Å; K28-D32 WeakPolarHBondContact O-CB 3.43Å; K28-D32 VanDerWaalsContact O-CG 3.23Å; K28-D32 PolarHBondContact O-N 3.48Å; K28-Y94 HydrophobicContact CD-CE1 4.14Å; K28-Y94 HydrophobicContact CG-CE1 4.16Å; K28-Y94 PolarHBondContact NZ-OH 3.04Å
29L94.2Very high85.8Confident1 Ų181 Ų811%0.00544%0.437CS..Hα-helixtrans-54.4-45.2178.417863.1000112Y25 N31 D32 L33 W89 Y94 L97 I100Y25-L29 VanDerWaalsContact O-CB 3.24Å; Y25-L29 WeakPolarHBondContact O-CB 3.36Å; Y25-L29 PolarHBondContact O-N 3.3Å; L29-N31 VanDerWaalsContact C-N 3.33Å; L29-N31 PolarHBondContact O-N 3.33Å; L29-D32 PolarHBondContact O-N 3.19Å; L29-L33 HydrophobicContact CD1-CD1 3.78Å; L29-L33 HydrophobicContact CD1-CD2 4.4Å; L29-L33 HydrophobicContact CD1-CG 3.82Å; L29-L33 HydrophobicContact CD2-CD1 4.5Å; L29-L33 HydrophobicContact CG-CD1 3.81Å; L29-L33 HydrophobicContact CG-CG 4.26Å; L29-L33 WeakPolarHBondContact O-CB 3.34Å; L29-L33 VanDerWaalsContact O-CG 3.26Å; L29-L33 WeakPolarHBondContact O-CG 3.19Å; L29-L33 PolarHBondContact O-N 3.27Å; L29-W89 HydrophobicContact CD1-CB 3.76Å; L29-W89 HydrophobicContact CD1-CD2 3.75Å; L29-W89 HydrophobicContact CD1-CE3 4.2Å; L29-W89 HydrophobicContact CD1-CG 3.55Å; L29-W89 HydrophobicContact CD2-CD2 3.79Å; L29-W89 VanDerWaalsContact CD2-CE2 3.49Å; L29-W89 HydrophobicContact CD2-CE3 4.32Å; L29-W89 HydrophobicContact CD2-CG 4.18Å; L29-W89 HydrophobicContact CD2-CH2 4.33Å; L29-W89 HydrophobicContact CD2-CZ2 3.79Å; L29-W89 HydrophobicContact CG-CD2 4.35Å; L29-Y94 HydrophobicContact CB-CD1 3.6Å; L29-Y94 HydrophobicContact CB-CE1 3.76Å; L29-Y94 HydrophobicContact CB-CG 4.19Å; L29-Y94 HydrophobicContact CD1-CD1 4.08Å; L29-Y94 HydrophobicContact CD1-CD2 3.97Å; L29-Y94 HydrophobicContact CD1-CE1 3.9Å; L29-Y94 HydrophobicContact CD1-CE2 3.81Å; L29-Y94 HydrophobicContact CD1-CG 4.11Å; L29-Y94 HydrophobicContact CG-CD1 4.35Å; L29-Y94 HydrophobicContact CG-CE1 4.44Å; L29-L97 HydrophobicContact CD2-CD2 3.79Å; L29-L97 HydrophobicContact CD2-CG 4.41Å; L29-I100 HydrophobicContact CD2-CD1 4.22Å; L29-I100 HydrophobicContact CD2-CG2 3.89Å; L29-I100 HydrophobicContact CG-CD1 4.48Å
30L94.1Very high87.5Confident54 Ų5475.7 Ų75.728%0.28343%0.432SS..Hα-helixtrans-61.2-40.8178.5-179.558.9000112.3A26 Q27 K28 M34 I102A26-L30 WeakPolarHBondContact O-CB 3.46Å; A26-L30 PolarHBondContact O-N 3.07Å; Q27-L30 PolarHBondContact O-N 3.04Å; K28-L30 VanDerWaalsContact C-N 3.31Å; K28-L30 PolarHBondContact O-N 3.47Å; L30-M34 HydrophobicContact CD1-CE 4.19Å; L30-M34 HydrophobicContact CD1-CG 3.91Å; L30-M34 VanDerWaalsContact O-CB 3.28Å; L30-M34 WeakPolarHBondContact O-CB 3.35Å; L30-M34 WeakPolarHBondContact O-CG 3.39Å; L30-M34 PolarHBondContact O-N 3.31Å; L30-I102 HydrophobicContact CD1-CG2 3.81Å
31N93.9Very high89.1Confident96 Ų9676.4 Ų76.451%0.51343%0.427SS..Hα-helixtrans-68.1-48.7175.8-63.8-18.5000111Q27 K28 L29 L33 M34 D35Q27-N31 PolarHBondContact O-N 3.04Å; Q27-N31 PolarHBondContact O-ND2 3.2Å; K28-N31 PolarHBondContact O-N 2.81Å; K28-N31 VanDerWaalsContact O-N 3.1Å; L29-N31 VanDerWaalsContact C-N 3.33Å; L29-N31 PolarHBondContact O-N 3.33Å; N31-L33 VanDerWaalsContact C-N 3.28Å; N31-L33 PolarHBondContact O-N 2.94Å; N31-M34 PolarHBondContact O-N 2.81Å; N31-M34 VanDerWaalsContact O-N 3.1Å; N31-D35 PolarHBondContact O-N 3.25Å; N31-D35 VanDerWaalsContact O-N 3.07Å
32D94.2Very high90.6Very high80 Ų8076.3 Ų76.343%0.42842%0.419SS..Hα-helixtrans-61.5-34.8-177.4-66.5-9.3000112.1K28 L29 Y94K28-D32 WeakPolarHBondContact CE-OD2 3.47Å; K28-D32 WeakPolarHBondContact CG-OD2 3.47Å; K28-D32 IonicContact NZ-OD2 2.67Å; K28-D32 PolarHBondContact NZ-OD2 3.23Å; K28-D32 WeakPolarHBondContact O-CB 3.43Å; K28-D32 VanDerWaalsContact O-CG 3.23Å; K28-D32 PolarHBondContact O-N 3.48Å; L29-D32 PolarHBondContact O-N 3.19Å; D32-Y94 PolarHBondContact OD2-OH 3.48Å
33L93.9Very high91.6Very high23 Ų2371.3 Ų71.312%0.1240%0.396CS..Hα-helixtrans-73.9-33.7174.3-73.2174.6000113.5L29 N31 Y37 L87 W89 I100 L132L29-L33 HydrophobicContact CD1-CD1 3.78Å; L29-L33 HydrophobicContact CD1-CD2 4.4Å; L29-L33 HydrophobicContact CD1-CG 3.82Å; L29-L33 HydrophobicContact CD2-CD1 4.5Å; L29-L33 HydrophobicContact CG-CD1 3.81Å; L29-L33 HydrophobicContact CG-CG 4.26Å; L29-L33 WeakPolarHBondContact O-CB 3.34Å; L29-L33 VanDerWaalsContact O-CG 3.26Å; L29-L33 WeakPolarHBondContact O-CG 3.19Å; L29-L33 PolarHBondContact O-N 3.27Å; N31-L33 VanDerWaalsContact C-N 3.28Å; N31-L33 PolarHBondContact O-N 2.94Å; L33-Y37 WeakPolarHBondContact O-CB 3.46Å; L33-L87 HydrophobicContact CB-CD2 4.06Å; L33-L87 HydrophobicContact CD2-CD2 4.39Å; L33-W89 HydrophobicContact CD1-CE3 3.88Å; L33-W89 HydrophobicContact CD1-CZ3 4.04Å; L33-W89 HydrophobicContact CD2-CE3 4.3Å; L33-I100 HydrophobicContact CD1-CD1 3.97Å; L33-L132 HydrophobicContact CD1-CD2 4.32Å
34M94.6Very high92.3Very high45 Ų4569.6 Ų69.622%0.22237%0.373CS..Hα-helixtrans-94.2-18.2-169-67-71.615900114.1L30 N31 N36 Y37 L87 I102 L106L30-M34 HydrophobicContact CD1-CE 4.19Å; L30-M34 HydrophobicContact CD1-CG 3.91Å; L30-M34 VanDerWaalsContact O-CB 3.28Å; L30-M34 WeakPolarHBondContact O-CB 3.35Å; L30-M34 WeakPolarHBondContact O-CG 3.39Å; L30-M34 PolarHBondContact O-N 3.31Å; N31-M34 PolarHBondContact O-N 2.81Å; N31-M34 VanDerWaalsContact O-N 3.1Å; M34-N36 PolarHBondContact O-N 3.04Å; M34-N36 VanDerWaalsContact O-N 3.12Å; M34-Y37 PolarHBondContact O-N 3.31Å; M34-Y37 HydrophobicContact SD-CD1 4.24Å; M34-L87 HydrophobicContact CE-CD2 4.05Å; M34-I102 HydrophobicContact CE-CD1 3.83Å; M34-L106 HydrophobicContact CE-CB 4.32Å; M34-L106 HydrophobicContact SD-CB 4.35Å
35D91.2Very high92.5Very high132 Ų13270.3 Ų70.371%0.70638%0.377SS*.THydrogen-bonded Turntrans-56.5-30.6-175.3-169.767.3000114.1N31N31-D35 PolarHBondContact O-N 3.25Å; N31-D35 VanDerWaalsContact O-N 3.07Å
36N88.9Confident92.6Very high150 Ų15069.3 Ų69.380%0.80238%0.376SS*.THydrogen-bonded Turntrans-127.816.4179-69.4-91.9000113.6M34M34-N36 PolarHBondContact O-N 3.04Å; M34-N36 VanDerWaalsContact O-N 3.12Å
37Y94.6Very high92.7Very high37 Ų3772.6 Ų72.615%0.14539%0.393CS..  trans-89.4150.8179.7-175.1-97000112.3L33 M34 D84 L87 L106 W108L33-Y37 WeakPolarHBondContact O-CB 3.46Å; M34-Y37 PolarHBondContact O-N 3.31Å; M34-Y37 HydrophobicContact SD-CD1 4.24Å; Y37-D84 VanDerWaalsContact CE2-OD2 3.26Å; Y37-D84 WeakPolarHBondContact CE2-OD2 3.35Å; Y37-D84 PolarHBondContact OH-OD2 3.34Å; Y37-L87 HydrophobicContact CD2-CD1 4.24Å; Y37-L87 HydrophobicContact CD2-CD2 3.73Å; Y37-L87 HydrophobicContact CD2-CG 3.79Å; Y37-L87 HydrophobicContact CE1-CD1 4.28Å; Y37-L87 HydrophobicContact CE2-CD1 3.64Å; Y37-L87 HydrophobicContact CE2-CD2 3.99Å; Y37-L87 HydrophobicContact CE2-CG 3.53Å; Y37-L87 HydrophobicContact CG-CD2 4.07Å; Y37-L106 WeakPolarHBondContact CE1-O 3.37Å; Y37-W108 PolarHBondContact OH-N 3.43Å
38S92.8Very high92.7Very high70 Ų7073 Ų7349%0.4940%0.399SS..  trans-139.4111.8173.4-167.30000112A40 L41S38-A40 PolarHBondContact O-N 3.13Å; S38-A40 VanDerWaalsContact O-N 3.12Å; S38-L41 PolarHBondContact O-N 3.45Å
39S92.8Very high92.6Very high52 Ų5276.4 Ų76.436%0.36441%0.41SS..THydrogen-bonded Turntrans-67.8-4.317651.60000114.6V107 W108S39-V107 WeakPolarHBondContact CB-O 3.49Å; S39-W108 WeakPolarHBondContact O-CA 3.3Å
40A91Very high92.6Very high77 Ų7778.1 Ų78.164%0.63643%0.425SS*.THydrogen-bonded Turntrans-83.2-11.5179.800000114S38S38-A40 PolarHBondContact O-N 3.13Å; S38-A40 VanDerWaalsContact O-N 3.12Å
41L91.6Very high92.7Very high128 Ų12876 Ų7667%0.6741%0.414SS*.SBendtrans-119.4143-177.8-64.2177.4000111.2S38 W108S38-L41 PolarHBondContact O-N 3.45Å; L41-W108 VanDerWaalsContact C-CD1 3.48Å
42R94.3Very high92.8Very high38 Ų3875.8 Ų75.814%0.14341%0.412CS..  trans-62.2122.8176.4-180-179.159.8119.56.1109.8V44 T47 R49 L51 W108 Q177R42-V44 VanDerWaalsContact C-N 3.35Å; R42-V44 HydrophobicContact CG-CG1 4.35Å; R42-V44 PolarHBondContact O-N 3.49Å; R42-T47 PolarHBondContact NH2-O 2.95Å; R42-R49 PolarHBondContact NH1-O 2.9Å; R42-L51 HydrophobicContact CG-CB 4.27Å; R42-L51 HydrophobicContact CG-CD2 3.93Å; R42-W108 HydrophobicContact CB-CZ2 4.36Å; R42-W108 HydrophobicContact CG-CZ2 4.21Å; R42-Q177 WeakPolarHBondContact CD-O 3.47Å; R42-Q177 PolarHBondContact NH1-O 3.5Å
43P94.6Very high93Very high3 Ų372 Ų722%0.01939%0.392CS..  trans-84.468.4-164.533.7-38.9000113.6L51 D84 A85 Y86 W108P43-L51 HydrophobicContact CG-CD2 4.27Å; P43-D84 HydrophobicContact CB-CB 4.15Å; P43-D84 WeakPolarHBondContact CB-OD2 3.36Å; P43-D84 HydrophobicContact CG-CB 4.21Å; P43-D84 WeakPolarHBondContact CG-OD2 3.3Å; P43-A85 WeakPolarHBondContact O-CB 3.37Å; P43-A85 PolarHBondContact O-N 2.71Å; P43-A85 VanDerWaalsContact O-N 3.16Å; P43-Y86 HydrophobicContact CB-CD2 4.16Å; P43-Y86 HydrophobicContact CB-CE2 4.48Å; P43-W108 VanDerWaalsContact CD-CD2 3.43Å; P43-W108 HydrophobicContact CG-CB 4.33Å; P43-W108 HydrophobicContact CG-CD2 4.28Å; P43-W108 HydrophobicContact CG-CE3 3.98Å; P43-W108 HydrophobicContact CG-CG 4.46Å
44V93.8Very high93.1Very high21 Ų2173.2 Ų73.213%0.12740%0.401CS..  trans-115.1142.6178.3-67.60000112.1R42 D46 L51 Y86R42-V44 VanDerWaalsContact C-N 3.35Å; R42-V44 HydrophobicContact CG-CG1 4.35Å; R42-V44 PolarHBondContact O-N 3.49Å; V44-D46 VanDerWaalsContact CG2-O 3.31Å; V44-D46 WeakPolarHBondContact CG2-O 3.35Å; V44-D46 PolarHBondContact O-N 2.84Å; V44-L51 HydrophobicContact CG1-CB 3.98Å; V44-L51 HydrophobicContact CG1-CD1 4.3Å; V44-Y86 PolarHBondContact O-OH 3.35Å
45E90.4Very high93.2Very high134 Ų13471.1 Ų71.163%0.62639%0.39SS*.SBendtrans-65.5-25.6175.1-59.5173.6-165.500112.7A85 R88E45-A85 HydrophobicContact CG-CB 3.58Å; E45-R88 IonicContact OE1-CZ 3.44Å; E45-R88 IonicContact OE1-NH1 3.83Å; E45-R88 PolarHBondContact OE1-NH1 2.83Å; E45-R88 IonicContact OE1-NH2 2.89Å; E45-R88 PolarHBondContact OE1-NH2 3.21Å
46D91.8Very high93.5Very high56 Ų5666.7 Ų66.730%0.29937%0.365SS..SBendtrans-143.4122.9-169.9174.71.1000107.6V44 D48 R49V44-D46 VanDerWaalsContact CG2-O 3.31Å; V44-D46 WeakPolarHBondContact CG2-O 3.35Å; V44-D46 PolarHBondContact O-N 2.84Å; D46-D48 PolarHBondContact O-N 2.98Å; D46-D48 PolarHBondContact OD1-N 2.96Å; D46-D48 VanDerWaalsContact OD1-N 3.13Å; D46-R49 HydrophobicContact CB-CG 4.18Å; D46-R49 PolarHBondContact O-N 2.82Å; D46-R49 IonicContact OD2-CZ 3.66Å; D46-R49 IonicContact OD2-NE 2.88Å; D46-R49 PolarHBondContact OD2-NE 3.49Å; D46-R49 IonicContact OD2-NH2 3.62Å
47T90Very high93.8Very high105 Ų10559.6 Ų59.664%0.64433%0.327SS*.THydrogen-bonded Turntrans-66.4-25.7-174.946.20000113.3R42 R49R42-T47 PolarHBondContact NH2-O 2.95Å; T47-R49 PolarHBondContact O-N 3.11Å
48D90.3Very high93.9Very high142 Ų14258 Ų5876%0.75932%0.321SS*.THydrogen-bonded Turntrans-82.6-4.1-171.3-64.96.7000112.2D46D46-D48 PolarHBondContact O-N 2.98Å; D46-D48 PolarHBondContact OD1-N 2.96Å; D46-D48 VanDerWaalsContact OD1-N 3.13Å
49R92.3Very high94.1Very high160 Ų16054.7 Ų54.760%0.60430%0.298SS*.SBendtrans-97.7138.2175.9-58.5-177.6-168.8-161.7-0.8110.8R42 D46 T47R42-R49 PolarHBondContact NH1-O 2.9Å; D46-R49 HydrophobicContact CB-CG 4.18Å; D46-R49 PolarHBondContact O-N 2.82Å; D46-R49 IonicContact OD2-CZ 3.66Å; D46-R49 IonicContact OD2-NE 2.88Å; D46-R49 PolarHBondContact OD2-NE 3.49Å; D46-R49 IonicContact OD2-NH2 3.62Å; T47-R49 PolarHBondContact O-N 3.11Å
50A93.4Very high94.2Very high38 Ų3853.1 Ų53.131%0.31429%0.287SS..PPolyproline II helixtrans-65.6145.3167.700000110.9N176 D179A50-N176 WeakPolarHBondContact CA-O 3.31Å; A50-N176 WeakPolarHBondContact CB-O 3.45Å; A50-N176 PolarHBondContact N-O 2.89Å; A50-D179 HydrophobicContact CB-CB 4.43Å
51L95.7Very high94.4Very high10 Ų1053.2 Ų53.25%0.05227%0.274CS..EExtended strand (participates in β ladder)trans-90.2120.6168.2177.361000109R42 P43 V44 V53 H83 W108 Q177 V178 D179R42-L51 HydrophobicContact CG-CB 4.27Å; R42-L51 HydrophobicContact CG-CD2 3.93Å; P43-L51 HydrophobicContact CG-CD2 4.27Å; V44-L51 HydrophobicContact CG1-CB 3.98Å; V44-L51 HydrophobicContact CG1-CD1 4.3Å; L51-V53 HydrophobicContact CG-CG2 4.46Å; L51-H83 VanDerWaalsContact CD1-O 3.3Å; L51-H83 WeakPolarHBondContact CD1-O 3.38Å; L51-W108 HydrophobicContact CD2-CE3 4.13Å; L51-W108 HydrophobicContact CD2-CH2 3.54Å; L51-W108 HydrophobicContact CD2-CZ2 4.42Å; L51-W108 HydrophobicContact CD2-CZ3 3.37Å; L51-Q177 PolarHBondContact N-O 3.44Å; L51-V178 WeakPolarHBondContact O-CA 3.07Å; L51-D179 PolarHBondContact O-N 2.82Å
52N96.6Very high94.6Very high90 Ų9047.4 Ų47.448%0.48124%0.244SC..EExtended strand (participates in β ladder)trans-80.1123.6178.5-66.30.9000110.3D179 I181N52-D179 WeakPolarHBondContact CA-O 3.45Å; N52-I181 HydrophobicContact CB-CD1 3.83Å
53V97.5Very high94.5Very high0 Ų051.4 Ų51.40%026%0.262CS..EExtended strand (participates in β ladder)trans-118.3109.3176.2-179.80000108.7L51 W82 P110 L112 V178 D179 I180 I181L51-V53 HydrophobicContact CG-CG2 4.46Å; V53-W82 HydrophobicContact CG2-CB 4.12Å; V53-P110 HydrophobicContact CG1-CB 4.33Å; V53-P110 HydrophobicContact CG1-CG 3.96Å; V53-P110 HydrophobicContact CG2-CB 4.1Å; V53-P110 HydrophobicContact CG2-CG 4.33Å; V53-L112 HydrophobicContact CG1-CD1 4.06Å; V53-V178 HydrophobicContact CB-CG1 4.37Å; V53-V178 HydrophobicContact CG2-CG1 3.73Å; V53-D179 PolarHBondContact N-O 2.04Å; V53-I180 CarbonylContact O-C 3.55Å; V53-I180 WeakPolarHBondContact O-CA 3.05Å; V53-I181 PolarHBondContact O-N 3.11Å
54T97.7Very high94.5Very high50 Ų5055.5 Ų55.531%0.30728%0.284SS..EExtended strand (participates in β ladder)trans-81.4122176.4-540000109.7Q80 T81 I181T54-Q80 WeakPolarHBondContact O-CA 3.48Å; T54-T81 PolarHBondContact N-O 2.65Å; T54-T81 PolarHBondContact O-N 2.72Å; T54-I181 CarbonylContact C-O 3.59Å; T54-I181 WeakPolarHBondContact CA-O 3.34Å
55L97Very high94.4Very high0 Ų054.8 Ų54.80%028%0.279CS..EExtended strand (participates in β ladder)trans-105.9127.9177.8-177.764.6000110.5I57 I78 Q80 L112 F168 I180 I181 G183 I222 Y224L55-I57 HydrophobicContact CD1-CD1 3.94Å; L55-I57 HydrophobicContact CG-CD1 4.27Å; L55-I57 HydrophobicContact CG-CG1 4.43Å; L55-I78 HydrophobicContact CD1-CG2 4.01Å; L55-Q80 HydrophobicContact CD1-CG 4.02Å; L55-L112 HydrophobicContact CD1-CD1 4.05Å; L55-F168 HydrophobicContact CD2-CB 3.72Å; L55-F168 HydrophobicContact CD2-CG 4.21Å; L55-I180 HydrophobicContact CB-CG2 3.94Å; L55-I180 HydrophobicContact CD2-CG2 4.45Å; L55-I181 PolarHBondContact N-O 2.87Å; L55-G183 PolarHBondContact O-N 3.4Å; L55-I222 HydrophobicContact CB-CD1 4.15Å; L55-I222 HydrophobicContact CD2-CD1 4.25Å; L55-Y224 HydrophobicContact CD2-CE2 4.21Å; L55-Y224 PolarHBondContact O-OH 2.89Å
56Q96.4Very high94.5Very high40 Ų4050.9 Ų50.919%0.18726%0.263CS..EExtended strand (participates in β ladder)trans-126.7129.6169.1171.6-177.56.400108.7R79 M184Q56-R79 HydrophobicContact CB-CB 4.23Å; Q56-R79 VanDerWaalsContact CD-NH1 3.27Å; Q56-R79 PolarHBondContact N-O 2.92Å; Q56-R79 PolarHBondContact O-N 3.16Å; Q56-M184 HydrophobicContact CG-CE 4.15Å
57I96.1Very high94.3Very high0 Ų049.5 Ų49.50%025%0.254CS..EExtended strand (participates in β ladder)trans-111.5126.9173.5-55.4-63000109.1L55 L76 W77 I78 F168 G187 D188 M203 Y224L55-I57 HydrophobicContact CD1-CD1 3.94Å; L55-I57 HydrophobicContact CG-CD1 4.27Å; L55-I57 HydrophobicContact CG-CG1 4.43Å; I57-L76 HydrophobicContact CG2-CB 4.24Å; I57-L76 HydrophobicContact CG2-CD1 4.04Å; I57-L76 HydrophobicContact CG2-CD2 4.03Å; I57-L76 HydrophobicContact CG2-CG 4.33Å; I57-W77 WeakPolarHBondContact CA-O 3.34Å; I57-I78 HydrophobicContact CD1-CB 4.22Å; I57-I78 HydrophobicContact CD1-CG1 4.02Å; I57-I78 HydrophobicContact CD1-CG2 3.9Å; I57-F168 HydrophobicContact CD1-CD2 4.33Å; I57-F168 HydrophobicContact CD1-CE2 3.94Å; I57-F168 HydrophobicContact CD1-CZ 4.06Å; I57-F168 HydrophobicContact CG1-CD2 4.4Å; I57-F168 HydrophobicContact CG1-CE2 4.09Å; I57-G187 WeakPolarHBondContact O-CA 3.15Å; I57-D188 PolarHBondContact O-N 3.46Å; I57-M203 HydrophobicContact CB-CE 4.3Å; I57-M203 HydrophobicContact CG2-CE 3.8Å; I57-Y224 HydrophobicContact CB-CD1 4.38Å; I57-Y224 HydrophobicContact CB-CD2 4.49Å; I57-Y224 HydrophobicContact CB-CE1 4.02Å; I57-Y224 HydrophobicContact CB-CE2 4.16Å; I57-Y224 HydrophobicContact CG1-CD2 3.86Å; I57-Y224 HydrophobicContact CG1-CE1 4.15Å; I57-Y224 HydrophobicContact CG1-CE2 3.37Å; I57-Y224 HydrophobicContact CG1-CG 4.44Å
58T96.1Very high94.1Very high4 Ų451 Ų513%0.02525%0.248CC..EExtended strand (participates in β ladder)trans-107.8121.1167.8-53.30000108.9S60 L76 W77 D188T58-S60 PolarHBondContact O-N 3.01Å; T58-L76 WeakPolarHBondContact O-CA 3.45Å; T58-W77 PolarHBondContact N-O 2.93Å; T58-W77 PolarHBondContact O-N 3.4Å; T58-D188 CarbonylContact C-O 3.56Å; T58-D188 WeakPolarHBondContact CA-O 3.26Å; T58-D188 HydrophobicContact CG2-CB 3.94Å; T58-D188 WeakPolarHBondContact CG2-OD2 3.49Å; T58-D188 WeakPolarHBondContact OG1-CB 3.43Å; T58-D188 PolarHBondContact OG1-OD2 2.89Å
59L96.5Very high94Very high1 Ų149.3 Ų49.31%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-85.5109.2175.1169.964.7000108.9A74 L76 D188 L189 F192 M203 V226L59-A74 HydrophobicContact CD1-CB 4Å; L59-L76 HydrophobicContact CB-CD2 4.11Å; L59-L76 HydrophobicContact CD1-CD2 3.64Å; L59-L76 HydrophobicContact CG-CD2 4.49Å; L59-D188 PolarHBondContact N-O 2.83Å; L59-L189 HydrophobicContact CB-CD2 3.9Å; L59-L189 HydrophobicContact CD2-CD2 4.02Å; L59-L189 HydrophobicContact CG-CD2 4.35Å; L59-F192 HydrophobicContact CD2-CD2 4.21Å; L59-F192 HydrophobicContact CD2-CE2 4.07Å; L59-F192 HydrophobicContact CG-CD2 3.94Å; L59-F192 HydrophobicContact CG-CE2 4.11Å; L59-M203 HydrophobicContact CB-CE 3.66Å; L59-M203 HydrophobicContact CB-SD 3.97Å; L59-M203 HydrophobicContact CD2-SD 4.2Å; L59-V226 HydrophobicContact CD2-CG1 4.02Å
60S95Very high94Very high18 Ų1844.9 Ų44.913%0.12623%0.225CC..EExtended strand (participates in β ladder)trans-91.2-35.5-176.41730000112.8T58 Y75 V193T58-S60 PolarHBondContact O-N 3.01Å; S60-Y75 PolarHBondContact N-O 2.75Å; S60-V193 PolarHBondContact O-N 2.91Å
61Q95.1Very high94.1Very high80 Ų8044 Ų4437%0.37422%0.216SC..EExtended strand (participates in β ladder)trans-159.7145.8171.354-179.6-12.400111.7Y75 V193Q61-Y75 HydrophobicContact CG-CD1 4.06Å; Q61-Y75 HydrophobicContact CG-CG 4.23Å; Q61-Y75 PolarHBondContact N-O 2.68Å; Q61-Y75 PolarHBondContact O-N 2.66Å; Q61-V193 HydrophobicContact CB-CB 4.33Å
62I95.9Very high94Very high5 Ų543.5 Ų43.53%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-81116.8159.7-59.8153.5000106.1L72 F192 N195 W198 C200 L228I62-L72 HydrophobicContact CG2-CD1 4.07Å; I62-F192 HydrophobicContact CD1-CE2 4.12Å; I62-F192 HydrophobicContact CD1-CZ 3.9Å; I62-F192 HydrophobicContact CG1-CE2 4.14Å; I62-F192 HydrophobicContact CG1-CZ 4.41Å; I62-N195 HydrophobicContact CB-CB 4.38Å; I62-N195 PolarHBondContact O-ND2 3.06Å; I62-W198 HydrophobicContact CD1-CB 4.17Å; I62-C200 HydrophobicContact CD1-CB 4.36Å; I62-L228 HydrophobicContact CD1-CD2 3.38Å; I62-L228 HydrophobicContact CG1-CD2 4.32Å
63K93.1Very high93.9Very high123 Ų12340.5 Ų40.554%0.53520%0.197SC..EExtended strand (participates in β ladder)trans-84.9-44.5-178.9-177.5-177.3173.8-172.30111.2I73K63-I73 WeakPolarHBondContact CA-O 3.48Å; K63-I73 HydrophobicContact CB-CG2 4.18Å; K63-I73 WeakPolarHBondContact CB-O 3.34Å; K63-I73 HydrophobicContact CD-CG2 4.08Å; K63-I73 PolarHBondContact N-O 2.76Å
64D92.9Very high93.8Very high88 Ų8840.5 Ų40.547%0.47120%0.198SC..EExtended strand (participates in β ladder)trans-159.7158.9-176-148.7-15000111I73D64-I73 HydrophobicContact CB-CB 4.02Å; D64-I73 HydrophobicContact CB-CD1 4.15Å; D64-I73 HydrophobicContact CB-CG1 4.25Å; D64-I73 PolarHBondContact N-O 2.89Å; D64-I73 VanDerWaalsContact N-O 3.15Å; D64-I73 PolarHBondContact O-N 3.08Å
65M92.2Very high93.7Very high6 Ų640.8 Ų40.83%0.0319%0.193CC..EExtended strand (participates in β ladder)trans-134.799.3169.1-179.869.980.300107.8E67 L72 V152 C164 W198 L228M65-E67 HydrophobicContact CG-CG 4.02Å; M65-E67 PolarHBondContact O-N 3.4Å; M65-E67 VanDerWaalsContact O-N 3.12Å; M65-L72 HydrophobicContact CE-CB 4.07Å; M65-L72 HydrophobicContact CE-CD1 3.81Å; M65-L72 HydrophobicContact CE-CG 4.4Å; M65-L72 HydrophobicContact SD-CB 3.91Å; M65-L72 HydrophobicContact SD-CD1 4.37Å; M65-V152 HydrophobicContact SD-CG2 4.37Å; M65-C164 VanDerWaalsContact CE-SG 3.53Å; M65-W198 HydrophobicContact CB-CZ2 4.2Å; M65-W198 HydrophobicContact CG-CZ2 3.96Å; M65-L228 HydrophobicContact CE-CD1 3.35Å
66D91.8Very high93.6Very high53 Ų5340.8 Ų40.828%0.28319%0.193SC..EExtended strand (participates in β ladder)trans-82.588173.9-173.7-25.5000108.1R68 N69 Q70 V71D66-R68 PolarHBondContact O-N 3.31Å; D66-R68 PolarHBondContact OD1-N 2.86Å; D66-N69 WeakPolarHBondContact OD1-CB 3.4Å; D66-N69 PolarHBondContact OD1-N 2.84Å; D66-N69 PolarHBondContact OD1-ND2 3.3Å; D66-N69 PolarHBondContact OD2-ND2 3.37Å; D66-Q70 WeakPolarHBondContact O-CA 3.35Å; D66-Q70 PolarHBondContact O-N 3.43Å; D66-V71 HydrophobicContact CB-CB 4.45Å; D66-V71 PolarHBondContact N-O 2.96Å; D66-V71 PolarHBondContact O-N 3.36Å
67E88.2Confident93.5Very high26 Ų2643.1 Ų43.112%0.12120%0.2CC..THydrogen-bonded Turntrans-64.2-33.8-178.8-51.798.2144.100111.1M65 Q70 V152 R230 P286M65-E67 HydrophobicContact CG-CG 4.02Å; M65-E67 PolarHBondContact O-N 3.4Å; M65-E67 VanDerWaalsContact O-N 3.12Å; E67-Q70 WeakPolarHBondContact O-CG 3.24Å; E67-Q70 PolarHBondContact O-N 2.8Å; E67-Q70 VanDerWaalsContact O-N 3.17Å; E67-V152 HydrophobicContact CB-CB 4.41Å; E67-V152 HydrophobicContact CB-CG1 3.95Å; E67-V152 HydrophobicContact CB-CG2 4.4Å; E67-V152 HydrophobicContact CG-CG1 3.92Å; E67-V152 HydrophobicContact CG-CG2 4.45Å; E67-R230 IonicContact OE1-CZ 2.73Å; E67-R230 IonicContact OE1-NH1 2.7Å; E67-R230 PolarHBondContact OE1-NH1 3.03Å; E67-R230 IonicContact OE1-NH2 3.1Å; E67-R230 PolarHBondContact OE1-NH2 3.2Å; E67-P286 HydrophobicContact CB-CG 4.13Å; E67-P286 VanDerWaalsContact O-CB 3.24Å; E67-P286 WeakPolarHBondContact O-CB 3.35Å; E67-P286 WeakPolarHBondContact O-CG 3.48Å
68R86.3Confident93.4Very high136 Ų13643.6 Ų43.651%0.51320%0.203SC..THydrogen-bonded Turntrans-63.9-43.1-176.1173.9173.9167.5160.9-4112.4D66 E283D66-R68 PolarHBondContact O-N 3.31Å; D66-R68 PolarHBondContact OD1-N 2.86Å; R68-E283 PolarHBondContact NH1-O 2.91Å
69N89.1Confident93.4Very high107 Ų10746.9 Ų46.957%0.57222%0.215SC*.THydrogen-bonded Turntrans-92.8-0.4174.7-61.8-50.3000112.7D66 V71D66-N69 WeakPolarHBondContact OD1-CB 3.4Å; D66-N69 PolarHBondContact OD1-N 2.84Å; D66-N69 PolarHBondContact OD1-ND2 3.3Å; D66-N69 PolarHBondContact OD2-ND2 3.37Å; N69-V71 HydrophobicContact CB-CG2 4.4Å
70Q92Very high93.4Very high67 Ų6747 Ų4731%0.31322%0.215SC..THydrogen-bonded Turntrans61.247179.5-67.8-173.9-21.300113.4D66 E67 S149 C150D66-Q70 WeakPolarHBondContact O-CA 3.35Å; D66-Q70 PolarHBondContact O-N 3.43Å; E67-Q70 WeakPolarHBondContact O-CG 3.24Å; E67-Q70 PolarHBondContact O-N 2.8Å; E67-Q70 VanDerWaalsContact O-N 3.17Å; Q70-S149 WeakPolarHBondContact O-CA 3.38Å; Q70-C150 CarbonylContact C-O 3.57Å; Q70-C150 VanDerWaalsContact CB-O 3.3Å; Q70-C150 WeakPolarHBondContact CB-O 3.22Å; Q70-C150 PolarHBondContact O-N 3.33Å
71V93.9Very high93.5Very high19 Ų1947.6 Ų47.612%0.11522%0.218CC..EExtended strand (participates in β ladder)trans-128117.5-177-176.60000112.4D66 N69 I73 A118 K147 S148D66-V71 HydrophobicContact CB-CB 4.45Å; D66-V71 PolarHBondContact N-O 2.96Å; D66-V71 PolarHBondContact O-N 3.36Å; N69-V71 HydrophobicContact CB-CG2 4.4Å; V71-I73 HydrophobicContact CG1-CG1 4.17Å; V71-A118 HydrophobicContact CB-CB 4.44Å; V71-A118 HydrophobicContact CG1-CB 3.94Å; V71-A118 HydrophobicContact CG2-CB 3.67Å; V71-K147 HydrophobicContact CG1-CB 3.87Å; V71-S148 WeakPolarHBondContact CA-O 3.33Å
72L95.4Very high93.6Very high1 Ų144 Ų441%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-80133.6164.3167.363.6000109.6I62 M65 K147 S148 C150 C164 V226 L228I62-L72 HydrophobicContact CG2-CD1 4.07Å; M65-L72 HydrophobicContact CE-CB 4.07Å; M65-L72 HydrophobicContact CE-CD1 3.81Å; M65-L72 HydrophobicContact CE-CG 4.4Å; M65-L72 HydrophobicContact SD-CB 3.91Å; M65-L72 HydrophobicContact SD-CD1 4.37Å; L72-K147 WeakPolarHBondContact O-CA 3.34Å; L72-S148 PolarHBondContact N-O 3.29Å; L72-S148 PolarHBondContact O-N 2.9Å; L72-S148 PolarHBondContact O-OG 3.45Å; L72-C150 HydrophobicContact CB-CB 4.34Å; L72-C164 HydrophobicContact CB-CB 4.44Å; L72-C164 HydrophobicContact CD2-CB 3.56Å; L72-V226 HydrophobicContact CD2-CB 4.48Å; L72-V226 HydrophobicContact CD2-CG2 4.2Å; L72-L228 HydrophobicContact CD1-CD1 4.41Å
73I94.6Very high93.7Very high26 Ų2647.2 Ų47.213%0.13322%0.216CC..EExtended strand (participates in β ladder)trans-115.2107.8172.1-49-173.5000109.4K63 D64 V71 I145 T146 K147K63-I73 WeakPolarHBondContact CA-O 3.48Å; K63-I73 HydrophobicContact CB-CG2 4.18Å; K63-I73 WeakPolarHBondContact CB-O 3.34Å; K63-I73 HydrophobicContact CD-CG2 4.08Å; K63-I73 PolarHBondContact N-O 2.76Å; D64-I73 HydrophobicContact CB-CB 4.02Å; D64-I73 HydrophobicContact CB-CD1 4.15Å; D64-I73 HydrophobicContact CB-CG1 4.25Å; D64-I73 PolarHBondContact N-O 2.89Å; D64-I73 VanDerWaalsContact N-O 3.15Å; D64-I73 PolarHBondContact O-N 3.08Å; V71-I73 HydrophobicContact CG1-CG1 4.17Å; I73-I145 HydrophobicContact CG2-CG2 3.8Å; I73-T146 WeakPolarHBondContact CA-O 3.32Å; I73-K147 HydrophobicContact CD1-CD 4.33Å; I73-K147 HydrophobicContact CD1-CG 4.29Å; I73-K147 HydrophobicContact CG1-CG 4.14Å; I73-K147 HydrophobicContact CG2-CG 4.33Å
74A94.9Very high93.8Very high1 Ų141.4 Ų41.41%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-115.8152.5-178.700000111.9L59 L76 I145 T146L59-A74 HydrophobicContact CD1-CB 4Å; A74-L76 HydrophobicContact CB-CD2 4.07Å; A74-L76 HydrophobicContact CB-CG 4.37Å; A74-I145 CarbonylContact O-C 3.57Å; A74-I145 WeakPolarHBondContact O-CA 3.39Å; A74-T146 PolarHBondContact N-O 3.37Å; A74-T146 PolarHBondContact O-N 3.05Å; A74-T146 PolarHBondContact O-OG1 3.23Å
75Y94.6Very high93.9Very high56 Ų5637.9 Ų37.922%0.2217%0.174CC..EExtended strand (participates in β ladder)trans-108.8117.1168.5-178-115.9000109.3S60 Q61 P143 A144 I145S60-Y75 PolarHBondContact N-O 2.75Å; Q61-Y75 HydrophobicContact CG-CD1 4.06Å; Q61-Y75 HydrophobicContact CG-CG 4.23Å; Q61-Y75 PolarHBondContact N-O 2.68Å; Q61-Y75 PolarHBondContact O-N 2.66Å; Y75-P143 HydrophobicContact CE2-CB 3.9Å; Y75-P143 VanDerWaalsContact OH-CB 3.23Å; Y75-P143 WeakPolarHBondContact OH-CB 3.36Å; Y75-A144 WeakPolarHBondContact CA-O 3.34Å; Y75-A144 WeakPolarHBondContact CD2-O 3.5Å; Y75-I145 HydrophobicContact CD2-CG1 3.76Å; Y75-I145 HydrophobicContact CE2-CG1 4.39Å
76L95.1Very high94Very high0 Ų044.6 Ų44.60%020%0.2CC..EExtended strand (participates in β ladder)trans-119.8144.8-172.1-53.5179.6000110I57 T58 L59 A74 I78 P143 A144 T146 L166 F168I57-L76 HydrophobicContact CG2-CB 4.24Å; I57-L76 HydrophobicContact CG2-CD1 4.04Å; I57-L76 HydrophobicContact CG2-CD2 4.03Å; I57-L76 HydrophobicContact CG2-CG 4.33Å; T58-L76 WeakPolarHBondContact O-CA 3.45Å; L59-L76 HydrophobicContact CB-CD2 4.11Å; L59-L76 HydrophobicContact CD1-CD2 3.64Å; L59-L76 HydrophobicContact CG-CD2 4.49Å; A74-L76 HydrophobicContact CB-CD2 4.07Å; A74-L76 HydrophobicContact CB-CG 4.37Å; L76-I78 HydrophobicContact CB-CG1 4.28Å; L76-P143 WeakPolarHBondContact O-CA 3.4Å; L76-A144 PolarHBondContact N-O 2.9Å; L76-A144 PolarHBondContact O-N 2.97Å; L76-T146 HydrophobicContact CD1-CG2 3.84Å; L76-T146 WeakPolarHBondContact CD1-OG1 3.35Å; L76-T146 HydrophobicContact CG-CG2 4.49Å; L76-L166 HydrophobicContact CD1-CD1 4.11Å; L76-F168 HydrophobicContact CD1-CE2 4.5Å; L76-F168 HydrophobicContact CD1-CZ 3.97Å
77W94.9Very high94.1Very high88 Ų8842 Ų4233%0.33319%0.187SC..EExtended strand (participates in β ladder)trans-93.4121.9155.9-65.490.1000108.3I57 T58 P143I57-W77 WeakPolarHBondContact CA-O 3.34Å; T58-W77 PolarHBondContact N-O 2.93Å; T58-W77 PolarHBondContact O-N 3.4Å; W77-P143 HydrophobicContact CD2-CB 4.23Å; W77-P143 HydrophobicContact CE3-CB 3.94Å; W77-P143 HydrophobicContact CE3-CG 4.33Å; W77-P143 HydrophobicContact CH2-CB 4.09Å; W77-P143 HydrophobicContact CH2-CG 4.16Å; W77-P143 HydrophobicContact CZ2-CB 4.37Å; W77-P143 HydrophobicContact CZ3-CB 3.88Å; W77-P143 HydrophobicContact CZ3-CG 3.86Å
78I94.8Very high94.4Very high10 Ų1045.6 Ų45.65%0.05120%0.199CC..EExtended strand (participates in β ladder)trans-104.197.8-179.4-53.4-177.3000107.2L55 I57 L76 Q80 A142 A144 F168L55-I78 HydrophobicContact CD1-CG2 4.01Å; I57-I78 HydrophobicContact CD1-CB 4.22Å; I57-I78 HydrophobicContact CD1-CG1 4.02Å; I57-I78 HydrophobicContact CD1-CG2 3.9Å; L76-I78 HydrophobicContact CB-CG1 4.28Å; I78-Q80 HydrophobicContact CG2-CG 4.15Å; I78-A142 PolarHBondContact N-O 2.95Å; I78-A142 PolarHBondContact O-N 2.92Å; I78-A142 VanDerWaalsContact O-N 3.15Å; I78-A144 HydrophobicContact CD1-CB 3.74Å; I78-A144 HydrophobicContact CG1-CB 4.3Å; I78-F168 HydrophobicContact CD1-CE1 4.04Å; I78-F168 HydrophobicContact CD1-CZ 4.42Å
79R95.5Very high94.9Very high73 Ų7340.2 Ų40.228%0.27518%0.179SC..EExtended strand (participates in β ladder)trans-95.1122.6177.6-174.9178.5-61.7133.38.5110.1Q56 T139 W140 D141Q56-R79 HydrophobicContact CB-CB 4.23Å; Q56-R79 VanDerWaalsContact CD-NH1 3.27Å; Q56-R79 PolarHBondContact N-O 2.92Å; Q56-R79 PolarHBondContact O-N 3.16Å; R79-T139 HydrophobicContact CG-CG2 3.94Å; R79-W140 WeakPolarHBondContact CA-O 3.41Å; R79-D141 IonicContact CZ-OD2 2.83Å; R79-D141 IonicContact NE-OD2 2.73Å; R79-D141 PolarHBondContact NE-OD2 2.84Å; R79-D141 IonicContact NH2-OD2 3.85Å; R79-D141 PolarHBondContact NH2-OD2 3.39Å
80Q96Very high95.2Very high4 Ų438.4 Ų38.42%0.01917%0.169CC..EExtended strand (participates in β ladder)trans-122.7124.3-178.1-62.7170.87100108.1T54 L55 I78 W82 L112 W140T54-Q80 WeakPolarHBondContact O-CA 3.48Å; L55-Q80 HydrophobicContact CD1-CG 4.02Å; I78-Q80 HydrophobicContact CG2-CG 4.15Å; Q80-W82 HydrophobicContact CB-CE3 4.32Å; Q80-W82 HydrophobicContact CB-CZ3 4.08Å; Q80-L112 HydrophobicContact CG-CD1 4.15Å; Q80-W140 PolarHBondContact N-O 2.86Å; Q80-W140 PolarHBondContact O-N 2.82Å
81T97.5Very high95.3Very high31 Ų3137 Ų3719%0.1917%0.165CC..EExtended strand (participates in β ladder)trans-124.5123.6178-55.40000109.9T54 E137 I138T54-T81 PolarHBondContact N-O 2.65Å; T54-T81 PolarHBondContact O-N 2.72Å; T81-E137 HydrophobicContact CG2-CG 3.76Å; T81-I138 VanDerWaalsContact CA-O 3.3Å; T81-I138 WeakPolarHBondContact CA-O 3.23Å
82W97.3Very high95.2Very high5 Ų543.6 Ų43.62%0.01919%0.194CC..EExtended strand (participates in β ladder)trans-136.9172.8176.368.497.5000110.5V53 Q80 V107 W108 P110 V130 I138 W140V53-W82 HydrophobicContact CG2-CB 4.12Å; Q80-W82 HydrophobicContact CB-CE3 4.32Å; Q80-W82 HydrophobicContact CB-CZ3 4.08Å; W82-V107 HydrophobicContact CZ2-CG2 4.27Å; W82-W108 HydrophobicContact CG-CZ3 4.47Å; W82-W108 WeakPolarHBondContact CZ2-O 3.38Å; W82-W108 AromaticContact NE1-CE3 3.88Å; W82-P110 HydrophobicContact CE3-CG 4.27Å; W82-P110 HydrophobicContact CZ3-CG 4.44Å; W82-V130 HydrophobicContact CH2-CG1 4.34Å; W82-I138 HydrophobicContact CD2-CB 4.23Å; W82-I138 HydrophobicContact CH2-CB 4.47Å; W82-I138 HydrophobicContact CH2-CG2 3.73Å; W82-I138 HydrophobicContact CZ2-CB 3.98Å; W82-I138 HydrophobicContact CZ2-CD1 4.22Å; W82-I138 HydrophobicContact CZ2-CG2 3.52Å; W82-I138 HydrophobicContact CZ3-CG2 4.29Å; W82-I138 PolarHBondContact N-O 2.62Å; W82-I138 PolarHBondContact O-N 3.29Å; W82-W140 HydrophobicContact CH2-CB 3.81Å; W82-W140 HydrophobicContact CZ3-CB 3.68Å
83H96.8Very high95.1Very high72 Ų7248.6 Ų48.633%0.33322%0.221SC..EExtended strand (participates in β ladder)trans-112.7123176.7-165.8-25.4000110.2L51 R88 N135 G136L51-H83 VanDerWaalsContact CD1-O 3.3Å; L51-H83 WeakPolarHBondContact CD1-O 3.38Å; H83-R88 PolarHBondContact CE1-NE 3.24Å; H83-R88 VanDerWaalsContact CE1-NE 3.3Å; H83-R88 PolarHBondContact CE1-NH2 3.33Å; H83-R88 PolarHBondContact NE2-NH2 2.98Å; H83-N135 PolarHBondContact CE1-O 3.25Å; H83-N135 PolarHBondContact NE2-O 2.9Å; H83-G136 WeakPolarHBondContact CA-O 3.43Å; H83-G136 PolarHBondContact ND1-O 3.12Å; H83-G136 VanDerWaalsContact ND1-O 3.11Å
84D96.4Very high95Very high0 Ų048.8 Ų48.80%022%0.22CC..  trans-91.8129.8169.5-169.3-61000109.9Y37 P43 Y86 L87 G136 I138Y37-D84 VanDerWaalsContact CE2-OD2 3.26Å; Y37-D84 WeakPolarHBondContact CE2-OD2 3.35Å; Y37-D84 PolarHBondContact OH-OD2 3.34Å; P43-D84 HydrophobicContact CB-CB 4.15Å; P43-D84 WeakPolarHBondContact CB-OD2 3.36Å; P43-D84 HydrophobicContact CG-CB 4.21Å; P43-D84 WeakPolarHBondContact CG-OD2 3.3Å; D84-Y86 WeakPolarHBondContact OD1-CA 3.45Å; D84-Y86 PolarHBondContact OD1-N 2.9Å; D84-L87 HydrophobicContact CB-CB 4.18Å; D84-L87 HydrophobicContact CB-CD1 4.35Å; D84-L87 HydrophobicContact CB-CG 4.49Å; D84-L87 PolarHBondContact OD1-N 2.84Å; D84-G136 PolarHBondContact N-O 2.89Å; D84-I138 HydrophobicContact CB-CD1 3.77Å; D84-I138 HydrophobicContact CB-CG1 4.37Å
85A94.2Very high94.8Very high15 Ų1551.6 Ų51.612%0.12424%0.235CC..SBendtrans-72.1-28.9-17900000114.3P43 E45 R88P43-A85 WeakPolarHBondContact O-CB 3.37Å; P43-A85 PolarHBondContact O-N 2.71Å; P43-A85 VanDerWaalsContact O-N 3.16Å; E45-A85 HydrophobicContact CG-CB 3.58Å; A85-R88 PolarHBondContact O-NH1 2.9Å
86Y94.1Very high94.6Very high146 Ų14651.3 Ų51.357%0.57325%0.25SC*.SBendtrans-99.5-31.2-167.9-56.6-71.6000112.4P43 V44 D84 R88P43-Y86 HydrophobicContact CB-CD2 4.16Å; P43-Y86 HydrophobicContact CB-CE2 4.48Å; V44-Y86 PolarHBondContact O-OH 3.35Å; D84-Y86 WeakPolarHBondContact OD1-CA 3.45Å; D84-Y86 PolarHBondContact OD1-N 2.9Å; Y86-R88 PolarHBondContact O-N 3.06Å
87L95Very high94.4Very high0 Ų052.6 Ų52.60%026%0.256CS..SBendtrans-82.161.4-179.7-64.3173.7000112.6L33 M34 Y37 D84 V107 L132 G136 I138L33-L87 HydrophobicContact CB-CD2 4.06Å; L33-L87 HydrophobicContact CD2-CD2 4.39Å; M34-L87 HydrophobicContact CE-CD2 4.05Å; Y37-L87 HydrophobicContact CD2-CD1 4.24Å; Y37-L87 HydrophobicContact CD2-CD2 3.73Å; Y37-L87 HydrophobicContact CD2-CG 3.79Å; Y37-L87 HydrophobicContact CE1-CD1 4.28Å; Y37-L87 HydrophobicContact CE2-CD1 3.64Å; Y37-L87 HydrophobicContact CE2-CD2 3.99Å; Y37-L87 HydrophobicContact CE2-CG 3.53Å; Y37-L87 HydrophobicContact CG-CD2 4.07Å; D84-L87 HydrophobicContact CB-CB 4.18Å; D84-L87 HydrophobicContact CB-CD1 4.35Å; D84-L87 HydrophobicContact CB-CG 4.49Å; D84-L87 PolarHBondContact OD1-N 2.84Å; L87-V107 HydrophobicContact CD1-CB 4.47Å; L87-V107 HydrophobicContact CD1-CG1 3.75Å; L87-L132 HydrophobicContact CB-CD1 4.01Å; L87-L132 HydrophobicContact CB-CD2 4.05Å; L87-L132 HydrophobicContact CD1-CD2 4.33Å; L87-G136 WeakPolarHBondContact O-CA 3.28Å; L87-I138 HydrophobicContact CD1-CD1 3.99Å
88R95.1Very high94.2Very high100 Ų10052.3 Ų52.338%0.37726%0.261SS..  trans-122.1147-179.9-60.7-175169.6130-9.8111.8E45 H83 A85 Y86 Y134 N135E45-R88 IonicContact OE1-CZ 3.44Å; E45-R88 IonicContact OE1-NH1 3.83Å; E45-R88 PolarHBondContact OE1-NH1 2.83Å; E45-R88 IonicContact OE1-NH2 2.89Å; E45-R88 PolarHBondContact OE1-NH2 3.21Å; H83-R88 PolarHBondContact CE1-NE 3.24Å; H83-R88 VanDerWaalsContact CE1-NE 3.3Å; H83-R88 PolarHBondContact CE1-NH2 3.33Å; H83-R88 PolarHBondContact NE2-NH2 2.98Å; A85-R88 PolarHBondContact O-NH1 2.9Å; Y86-R88 PolarHBondContact O-N 3.06Å; R88-Y134 WeakPolarHBondContact CA-O 3.28Å; R88-N135 WeakPolarHBondContact CG-O 3.43Å; R88-N135 PolarHBondContact NE-O 3.1Å
89W95.1Very high94.2Very high23 Ų2352.8 Ų52.89%0.08727%0.265CS..  trans-148.7160.417367.897.5000112.8L29 L33 Y94 L97 I100 L132 Y134L29-W89 HydrophobicContact CD1-CB 3.76Å; L29-W89 HydrophobicContact CD1-CD2 3.75Å; L29-W89 HydrophobicContact CD1-CE3 4.2Å; L29-W89 HydrophobicContact CD1-CG 3.55Å; L29-W89 HydrophobicContact CD2-CD2 3.79Å; L29-W89 VanDerWaalsContact CD2-CE2 3.49Å; L29-W89 HydrophobicContact CD2-CE3 4.32Å; L29-W89 HydrophobicContact CD2-CG 4.18Å; L29-W89 HydrophobicContact CD2-CH2 4.33Å; L29-W89 HydrophobicContact CD2-CZ2 3.79Å; L29-W89 HydrophobicContact CG-CD2 4.35Å; L33-W89 HydrophobicContact CD1-CE3 3.88Å; L33-W89 HydrophobicContact CD1-CZ3 4.04Å; L33-W89 HydrophobicContact CD2-CE3 4.3Å; W89-Y94 HydrophobicContact CB-CD2 4.36Å; W89-Y94 HydrophobicContact CB-CE2 4.12Å; W89-Y94 AromaticContact CD1-CD2 3.87Å; W89-Y94 HydrophobicContact CG-CD2 4.4Å; W89-L97 PolarHBondContact NE1-O 3.07Å; W89-I100 HydrophobicContact CH2-CG1 4.04Å; W89-L132 HydrophobicContact CH2-CD2 4.42Å; W89-L132 HydrophobicContact CH2-CG 3.98Å; W89-L132 HydrophobicContact CZ3-CD1 4.23Å; W89-L132 HydrophobicContact CZ3-CD2 3.91Å; W89-L132 HydrophobicContact CZ3-CG 3.75Å; W89-Y134 VanDerWaalsContact CE2-CA 3.49Å; W89-Y134 VanDerWaalsContact CH2-N 3.34Å; W89-Y134 VanDerWaalsContact CZ2-CA 3.49Å; W89-Y134 PolarHBondContact N-O 3.15Å
90N95.5Very high94.2Very high69 Ų6950 Ų5037%0.36926%0.256SS..  trans-84.6130166.5-177.815.6000109.3E92 D93 Y94N90-E92 PolarHBondContact ND2-OE2 2.93Å; N90-E92 PolarHBondContact O-N 2.77Å; N90-E92 PolarHBondContact OD1-N 2.87Å; N90-D93 WeakPolarHBondContact CB-OD2 3.13Å; N90-D93 PolarHBondContact O-N 3.42Å; N90-Y94 WeakPolarHBondContact O-CD2 3.47Å
91T93.9Very high94.1Very high37 Ų3755.6 Ų55.623%0.22728%0.281CS..G310 helixtrans-67.5-25.7-178.158.50000112.6D93 Y94 G96 L97 Y134T91-D93 VanDerWaalsContact C-N 3.33Å; T91-D93 PolarHBondContact O-N 3.2Å; T91-Y94 CarbonylContact O-C 3.57Å; T91-Y94 PolarHBondContact O-N 3.1Å; T91-G96 WeakPolarHBondContact O-CA 3.34Å; T91-G96 PolarHBondContact O-N 3.35Å; T91-L97 WeakPolarHBondContact CG2-O 3.39Å; T91-Y134 HydrophobicContact CG2-CD1 4.02Å; T91-Y134 HydrophobicContact CG2-CD2 4.08Å; T91-Y134 HydrophobicContact CG2-CG 3.65Å
92E92.4Very high94Very high158 Ų15854.3 Ų54.374%0.73827%0.273SS*.G310 helixtrans-64.8-33.4179.2-56.8174.8140.600112.7N90 Y94N90-E92 PolarHBondContact ND2-OE2 2.93Å; N90-E92 PolarHBondContact O-N 2.77Å; N90-E92 PolarHBondContact OD1-N 2.87Å; E92-Y94 PolarHBondContact O-N 2.89Å
93D92.6Very high93.8Very high107 Ų10756.9 Ų56.957%0.57229%0.291SS*.G310 helixtrans-76.1-9.6-179.1-68.1-54.5000113.5N90 T91N90-D93 WeakPolarHBondContact CB-OD2 3.13Å; N90-D93 PolarHBondContact O-N 3.42Å; T91-D93 VanDerWaalsContact C-N 3.33Å; T91-D93 PolarHBondContact O-N 3.2Å
94Y93Very high93.7Very high29 Ų2953.6 Ų53.611%0.11428%0.275CS..G310 helixtrans-136.342.3-172.8-58.3-88.2000112.7K28 L29 D32 W89 N90 T91 E92 G96 L97K28-Y94 HydrophobicContact CD-CE1 4.14Å; K28-Y94 HydrophobicContact CG-CE1 4.16Å; K28-Y94 PolarHBondContact NZ-OH 3.04Å; L29-Y94 HydrophobicContact CB-CD1 3.6Å; L29-Y94 HydrophobicContact CB-CE1 3.76Å; L29-Y94 HydrophobicContact CB-CG 4.19Å; L29-Y94 HydrophobicContact CD1-CD1 4.08Å; L29-Y94 HydrophobicContact CD1-CD2 3.97Å; L29-Y94 HydrophobicContact CD1-CE1 3.9Å; L29-Y94 HydrophobicContact CD1-CE2 3.81Å; L29-Y94 HydrophobicContact CD1-CG 4.11Å; L29-Y94 HydrophobicContact CG-CD1 4.35Å; L29-Y94 HydrophobicContact CG-CE1 4.44Å; D32-Y94 PolarHBondContact OD2-OH 3.48Å; W89-Y94 HydrophobicContact CB-CD2 4.36Å; W89-Y94 HydrophobicContact CB-CE2 4.12Å; W89-Y94 AromaticContact CD1-CD2 3.87Å; W89-Y94 HydrophobicContact CG-CD2 4.4Å; N90-Y94 WeakPolarHBondContact O-CD2 3.47Å; T91-Y94 CarbonylContact O-C 3.57Å; T91-Y94 PolarHBondContact O-N 3.1Å; E92-Y94 PolarHBondContact O-N 2.89Å; Y94-G96 VanDerWaalsContact C-N 3.29Å; Y94-G96 PolarHBondContact O-N 2.88Å; Y94-L97 WeakPolarHBondContact O-CB 3.26Å; Y94-L97 PolarHBondContact O-N 3.47Å
95D90.1Very high93.5Very high60 Ų6057.1 Ų57.132%0.32130%0.3SS..THydrogen-bonded Turntrans61.234.8169.5-155.523.3000113.4A21 Q22 Y25 L97A21-D95 WeakPolarHBondContact CA-OD2 3.36Å; A21-D95 HydrophobicContact CB-CB 4.18Å; A21-D95 WeakPolarHBondContact CB-O 3.47Å; Q22-D95 PolarHBondContact N-OD2 3.33Å; Y25-D95 HydrophobicContact CD2-CB 3.34Å; Y25-D95 WeakPolarHBondContact CD2-OD2 3.47Å; Y25-D95 HydrophobicContact CE2-CB 3.71Å; Y25-D95 WeakPolarHBondContact CE2-OD2 3.3Å; Y25-D95 HydrophobicContact CG-CB 3.81Å; D95-L97 VanDerWaalsContact C-N 3.34Å; D95-L97 PolarHBondContact O-N 2.63Å
96G90.5Very high93.4Very high51 Ų5159.8 Ų59.853%0.52631%0.312SS..THydrogen-bonded Turntrans80.95.8177.700000115.4T91 Y94 D98T91-G96 WeakPolarHBondContact O-CA 3.34Å; T91-G96 PolarHBondContact O-N 3.35Å; Y94-G96 VanDerWaalsContact C-N 3.29Å; Y94-G96 PolarHBondContact O-N 2.88Å; G96-D98 PolarHBondContact O-N 2.89Å
97L90.8Very high93.5Very high26 Ų2653 Ų5314%0.13629%0.286CS..  trans-65111.1-173.5-175.260.8000112.8A26 L29 W89 T91 Y94 D95 V99 I100A26-L97 HydrophobicContact CB-CD2 3.69Å; L29-L97 HydrophobicContact CD2-CD2 3.79Å; L29-L97 HydrophobicContact CD2-CG 4.41Å; W89-L97 PolarHBondContact NE1-O 3.07Å; T91-L97 WeakPolarHBondContact CG2-O 3.39Å; Y94-L97 WeakPolarHBondContact O-CB 3.26Å; Y94-L97 PolarHBondContact O-N 3.47Å; D95-L97 VanDerWaalsContact C-N 3.34Å; D95-L97 PolarHBondContact O-N 2.63Å; L97-V99 WeakPolarHBondContact CD1-O 3.47Å; L97-I100 HydrophobicContact CD1-CG2 4.36Å; L97-I100 HydrophobicContact CD2-CG2 3.73Å; L97-I100 HydrophobicContact CG-CG2 4.08Å
98D92.6Very high93.6Very high82 Ų8253.3 Ų53.344%0.43929%0.287SS..  trans-94.4-25.8-175.876-45.4000114.3G96 R133 Y134G96-D98 PolarHBondContact O-N 2.89Å; D98-R133 WeakPolarHBondContact O-CA 3.44Å; D98-Y134 HydrophobicContact CB-CD1 4.21Å; D98-Y134 PolarHBondContact O-N 2.75Å
99V94.4Very high93.5Very high21 Ų2152.1 Ų52.113%0.12728%0.283CS..EExtended strand (participates in β ladder)trans-138.6137.7-173.3169.20000110.5L97 R131 L132 R133L97-V99 WeakPolarHBondContact CD1-O 3.47Å; V99-R131 HydrophobicContact CG1-CG 3.67Å; V99-L132 WeakPolarHBondContact CA-O 3.36Å; V99-R133 HydrophobicContact CG2-CG 3.6Å
100I94.4Very high93.5Very high15 Ų1551.4 Ų51.48%0.07728%0.281CS..EExtended strand (participates in β ladder)trans-124.2152162.561.8176.2000111.6L29 L33 W89 L97 I102 L132L29-I100 HydrophobicContact CD2-CD1 4.22Å; L29-I100 HydrophobicContact CD2-CG2 3.89Å; L29-I100 HydrophobicContact CG-CD1 4.48Å; L33-I100 HydrophobicContact CD1-CD1 3.97Å; W89-I100 HydrophobicContact CH2-CG1 4.04Å; L97-I100 HydrophobicContact CD1-CG2 4.36Å; L97-I100 HydrophobicContact CD2-CG2 3.73Å; L97-I100 HydrophobicContact CG-CG2 4.08Å; I100-I102 HydrophobicContact CD1-CG2 3.98Å; I100-I102 HydrophobicContact CG1-CG2 4.2Å; I100-L132 HydrophobicContact CD1-CD2 4.09Å; I100-L132 HydrophobicContact CG1-CB 4.25Å; I100-L132 HydrophobicContact CG1-CD2 4.06Å; I100-L132 HydrophobicContact CG1-CG 4.31Å; I100-L132 PolarHBondContact N-O 3.03Å; I100-L132 PolarHBondContact O-N 2.93Å
101H94.5Very high93.3Very high121 Ų12149.9 Ų49.956%0.5627%0.273SS*.EExtended strand (participates in β ladder)trans-111.6123.6173.2-64.793.3000109.1V130 R131H101-V130 WeakPolarHBondContact CA-O 3.17Å; H101-R131 WeakPolarHBondContact NE2-CG 3.47Å
102I94.4Very high93.2Very high4 Ų449.3 Ų49.32%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-136151.9-172.959.4179.2000110.6L30 M34 I100 S104 V107 N129 V130 L132L30-I102 HydrophobicContact CD1-CG2 3.81Å; M34-I102 HydrophobicContact CE-CD1 3.83Å; I100-I102 HydrophobicContact CD1-CG2 3.98Å; I100-I102 HydrophobicContact CG1-CG2 4.2Å; I102-S104 PolarHBondContact O-N 2.93Å; I102-V107 HydrophobicContact CD1-CG1 3.57Å; I102-V107 HydrophobicContact CG1-CG1 4.39Å; I102-N129 CarbonylContact O-C 3.58Å; I102-N129 VanDerWaalsContact O-CA 3.25Å; I102-N129 WeakPolarHBondContact O-CA 3.46Å; I102-N129 WeakPolarHBondContact O-CB 3.23Å; I102-V130 HydrophobicContact CD1-CG2 4.18Å; I102-V130 HydrophobicContact CG1-CG2 3.49Å; I102-V130 VanDerWaalsContact CG1-CG2 3.49Å; I102-V130 PolarHBondContact N-O 2.91Å; I102-V130 VanDerWaalsContact N-O 3.12Å; I102-V130 PolarHBondContact O-N 2.93Å; I102-L132 HydrophobicContact CD1-CD2 4Å
103P94.8Very high93.2Very high59 Ų5944.3 Ų44.338%0.38325%0.248SC..EExtended strand (participates in β ladder)trans-55.6132.4175.3-25.434.5000111.5S105 L106 N129P103-S105 PolarHBondContact O-N 2.73Å; P103-S105 VanDerWaalsContact O-N 3.08Å; P103-L106 HydrophobicContact CB-CG 4.37Å; P103-L106 HydrophobicContact CG-CD1 4.41Å; P103-L106 PolarHBondContact O-N 3.13Å; P103-N129 WeakPolarHBondContact CA-OD1 3.47Å
104S93.3Very high93.3Very high2 Ų240.3 Ų40.31%0.01423%0.226CC..THydrogen-bonded Turntrans-65.6-13.1-175.958.30000114.1I102 V107 R109 T128I102-S104 PolarHBondContact O-N 2.93Å; S104-V107 WeakPolarHBondContact O-CG2 3.49Å; S104-R109 WeakPolarHBondContact O-CD 3.46Å; S104-R109 WeakPolarHBondContact O-CG 3.47Å; S104-R109 PolarHBondContact O-NE 2.89Å; S104-R109 PolarHBondContact OG-NH1 3.05Å; S104-T128 WeakPolarHBondContact CB-O 3.33Å; S104-T128 PolarHBondContact N-O 2.77Å; S104-T128 PolarHBondContact OG-O 2.83Å
105S92.1Very high93.2Very high75 Ų7542 Ų4252%0.52423%0.233SC..THydrogen-bonded Turntrans-76.6-13171.953.40000115.2P103P103-S105 PolarHBondContact O-N 2.73Å; P103-S105 VanDerWaalsContact O-N 3.08Å
106L93.6Very high93.4Very high70 Ų7040.8 Ų40.837%0.36623%0.226SC..SBendtrans-85.1-21.3177.2-62-176.5000113.4M34 Y37 P103M34-L106 HydrophobicContact CE-CB 4.32Å; M34-L106 HydrophobicContact SD-CB 4.35Å; Y37-L106 WeakPolarHBondContact CE1-O 3.37Å; P103-L106 HydrophobicContact CB-CG 4.37Å; P103-L106 HydrophobicContact CG-CD1 4.41Å; P103-L106 PolarHBondContact O-N 3.13Å
107V95.4Very high93.4Very high3 Ų342 Ų422%0.01822%0.217CC..SBendtrans-101.9156.6-178.9-61.20000111.3S39 W82 L87 I102 S104 R109 V130 I138S39-V107 WeakPolarHBondContact CB-O 3.49Å; W82-V107 HydrophobicContact CZ2-CG2 4.27Å; L87-V107 HydrophobicContact CD1-CB 4.47Å; L87-V107 HydrophobicContact CD1-CG1 3.75Å; I102-V107 HydrophobicContact CD1-CG1 3.57Å; I102-V107 HydrophobicContact CG1-CG1 4.39Å; S104-V107 WeakPolarHBondContact O-CG2 3.49Å; V107-R109 HydrophobicContact CG2-CG 4.28Å; V107-V130 HydrophobicContact CG1-CG2 4.26Å; V107-V130 HydrophobicContact CG2-CG1 4.1Å; V107-V130 HydrophobicContact CG2-CG2 4.01Å; V107-I138 HydrophobicContact CB-CD1 4.3Å; V107-I138 HydrophobicContact CG1-CD1 4.19Å
108W95.9Very high93.3Very high7 Ų742.4 Ų42.43%0.02723%0.225CC..  trans-61.1140.2162.9177.890.3000109.2Y37 S39 L41 R42 P43 L51 W82 P110 Y173 V178Y37-W108 PolarHBondContact OH-N 3.43Å; S39-W108 WeakPolarHBondContact O-CA 3.3Å; L41-W108 VanDerWaalsContact C-CD1 3.48Å; R42-W108 HydrophobicContact CB-CZ2 4.36Å; R42-W108 HydrophobicContact CG-CZ2 4.21Å; P43-W108 VanDerWaalsContact CD-CD2 3.43Å; P43-W108 HydrophobicContact CG-CB 4.33Å; P43-W108 HydrophobicContact CG-CD2 4.28Å; P43-W108 HydrophobicContact CG-CE3 3.98Å; P43-W108 HydrophobicContact CG-CG 4.46Å; L51-W108 HydrophobicContact CD2-CE3 4.13Å; L51-W108 HydrophobicContact CD2-CH2 3.54Å; L51-W108 HydrophobicContact CD2-CZ2 4.42Å; L51-W108 HydrophobicContact CD2-CZ3 3.37Å; W82-W108 HydrophobicContact CG-CZ3 4.47Å; W82-W108 WeakPolarHBondContact CZ2-O 3.38Å; W82-W108 AromaticContact NE1-CE3 3.88Å; W108-P110 HydrophobicContact CH2-CB 3.68Å; W108-P110 HydrophobicContact CH2-CG 4.49Å; W108-P110 HydrophobicContact CZ3-CB 3.97Å; W108-P110 HydrophobicContact CZ3-CG 4.28Å; W108-Y173 AromaticContact CZ2-CE2 3.78Å; W108-Y173 HydrophobicContact CZ2-CE2 3.78Å; W108-Y173 PolarHBondContact NE1-OH 2.85Å; W108-V178 HydrophobicContact CH2-CG2 4.37Å
109R94Very high92.7Very high76 Ų7640.6 Ų40.629%0.28722%0.215SC..  trans-126.7140177.2-62.2-169-76.1-170-2.5110S104 V107 D127 W140S104-R109 WeakPolarHBondContact O-CD 3.46Å; S104-R109 WeakPolarHBondContact O-CG 3.47Å; S104-R109 PolarHBondContact O-NE 2.89Å; S104-R109 PolarHBondContact OG-NH1 3.05Å; V107-R109 HydrophobicContact CG2-CG 4.28Å; R109-D127 IonicContact CZ-OD1 2.65Å; R109-D127 IonicContact NH1-OD1 2.72Å; R109-D127 PolarHBondContact NH1-OD1 2.9Å; R109-D127 IonicContact NH2-OD1 3.08Å; R109-D127 PolarHBondContact NH2-OD1 2.89Å; R109-D127 VanDerWaalsContact NH2-OD1 3.1Å; R109-W140 VanDerWaalsContact NH1-CZ2 3.34Å
110P94.5Very high91.5Very high7 Ų747 Ų475%0.04525%0.248CC..  trans-67.5146.1169.530.2-33.9000110.4V53 W82 W108 L112V53-P110 HydrophobicContact CG1-CB 4.33Å; V53-P110 HydrophobicContact CG1-CG 3.96Å; V53-P110 HydrophobicContact CG2-CB 4.1Å; V53-P110 HydrophobicContact CG2-CG 4.33Å; W82-P110 HydrophobicContact CE3-CG 4.27Å; W82-P110 HydrophobicContact CZ3-CG 4.44Å; W108-P110 HydrophobicContact CH2-CB 3.68Å; W108-P110 HydrophobicContact CH2-CG 4.49Å; W108-P110 HydrophobicContact CZ3-CB 3.97Å; W108-P110 HydrophobicContact CZ3-CG 4.28Å; P110-L112 VanDerWaalsContact C-N 3.25Å; P110-L112 HydrophobicContact CB-CG 4.2Å; P110-L112 HydrophobicContact CG-CG 4.42Å; P110-L112 PolarHBondContact O-N 3.12Å; P110-L112 VanDerWaalsContact O-N 3.16Å
111D91.8Very high90.4Very high38 Ų3851.5 Ų51.520%0.20327%0.273CS..  trans-89.648.6-176.665.5-24.8000112V113 S170 W171 T172 Y173D111-V113 PolarHBondContact O-N 3.24Å; D111-S170 WeakPolarHBondContact OD1-CB 3.4Å; D111-S170 PolarHBondContact OD1-OG 2.78Å; D111-S170 PolarHBondContact OD2-OG 2.83Å; D111-W171 PolarHBondContact O-N 3.43Å; D111-W171 PolarHBondContact OD2-N 3.02Å; D111-T172 WeakPolarHBondContact OD2-CB 3.45Å; D111-T172 PolarHBondContact OD2-N 2.73Å; D111-T172 PolarHBondContact OD2-OG1 2.75Å; D111-Y173 WeakPolarHBondContact OD1-CD2 3.47Å
112L92.7Very high88.7Confident24 Ų2455.6 Ų55.613%0.12629%0.289CS..EExtended strand (participates in β ladder)trans-70.6120.8-179.2-60.3-166.9000111.1V53 L55 Q80 P110 G169 I180V53-L112 HydrophobicContact CG1-CD1 4.06Å; L55-L112 HydrophobicContact CD1-CD1 4.05Å; Q80-L112 HydrophobicContact CG-CD1 4.15Å; P110-L112 VanDerWaalsContact C-N 3.25Å; P110-L112 HydrophobicContact CB-CG 4.2Å; P110-L112 HydrophobicContact CG-CG 4.42Å; P110-L112 PolarHBondContact O-N 3.12Å; P110-L112 VanDerWaalsContact O-N 3.16Å; L112-G169 WeakPolarHBondContact CA-O 3.44Å; L112-I180 HydrophobicContact CD2-CD1 3.6Å; L112-I180 HydrophobicContact CD2-CG1 4.15Å
113V91.9Very high87.1Confident53 Ų5359.1 Ų59.132%0.32132%0.315SS..EExtended strand (participates in β ladder)trans-125.3152.6-178.1-65.40000111.6D111 Y115 F168 G169 W171D111-V113 PolarHBondContact O-N 3.24Å; V113-Y115 HydrophobicContact CG2-CD1 3.86Å; V113-Y115 HydrophobicContact CG2-CE1 3.84Å; V113-F168 WeakPolarHBondContact O-CA 3.48Å; V113-G169 PolarHBondContact N-O 2.68Å; V113-G169 PolarHBondContact O-N 2.89Å; V113-W171 HydrophobicContact CG1-CB 4.44Å; V113-W171 HydrophobicContact CG2-CB 3.92Å; V113-W171 HydrophobicContact CG2-CD2 4.44Å; V113-W171 HydrophobicContact CG2-CE3 3.89Å; V113-W171 HydrophobicContact CG2-CG 4.5Å
114L93.4Very high85.7Confident23 Ų2358.7 Ų58.712%0.1232%0.321CS..EExtended strand (participates in β ladder)trans-83110.5169.9177.671000108.7N116 K117 T146 L166 T167 F168L114-N116 WeakPolarHBondContact CD1-OD1 3.43Å; L114-N116 PolarHBondContact O-N 3.43Å; L114-K117 HydrophobicContact CB-CB 4.48Å; L114-K117 HydrophobicContact CD2-CB 4.15Å; L114-K117 HydrophobicContact CG-CB 4.35Å; L114-K117 WeakPolarHBondContact O-CB 3.39Å; L114-K117 PolarHBondContact O-N 2.86Å; L114-T146 HydrophobicContact CD2-CG2 4.33Å; L114-L166 HydrophobicContact CD1-CB 4.24Å; L114-L166 HydrophobicContact CD1-CD2 4.2Å; L114-T167 WeakPolarHBondContact CA-O 3.39Å; L114-F168 HydrophobicContact CB-CD1 4.38Å; L114-F168 HydrophobicContact CB-CE1 4.14Å; L114-F168 HydrophobicContact CD1-CE1 4.28Å; L114-F168 HydrophobicContact CD1-CE2 4.32Å; L114-F168 HydrophobicContact CD1-CZ 4.14Å
115Y92.4Very high84.6Confident66 Ų6660.7 Ų60.726%0.25933%0.334SS..THydrogen-bonded Turntrans-66.7-37.5-176.1-67.8-22.5000113V113 K117 T167 S170 W171 Y212 D221V113-Y115 HydrophobicContact CG2-CD1 3.86Å; V113-Y115 HydrophobicContact CG2-CE1 3.84Å; Y115-K117 VanDerWaalsContact C-N 3.29Å; Y115-K117 PolarHBondContact O-N 3.46Å; Y115-T167 HydrophobicContact CD2-CG2 3.76Å; Y115-T167 HydrophobicContact CE2-CG2 4.43Å; Y115-T167 PolarHBondContact N-O 2.89Å; Y115-S170 PolarHBondContact OH-O 3.47Å; Y115-W171 HydrophobicContact CD1-CE3 4.34Å; Y115-W171 HydrophobicContact CD1-CZ3 4.4Å; Y115-W171 HydrophobicContact CE1-CE3 4.17Å; Y115-Y212 VanDerWaalsContact CE2-OH 3.23Å; Y115-Y212 WeakPolarHBondContact CE2-OH 3.26Å; Y115-D221 HydrophobicContact CE2-CB 3.99Å
116N93.4Very high84Confident33 Ų3362.8 Ų62.818%0.17634%0.337CS..THydrogen-bonded Turntrans-92.336.9178.668.4-54.1000113.2L114 S148 S149 N165 T167L114-N116 WeakPolarHBondContact CD1-OD1 3.43Å; L114-N116 PolarHBondContact O-N 3.43Å; N116-S148 CarbonylContact O-C 3.58Å; N116-S148 WeakPolarHBondContact O-CA 3.43Å; N116-S149 PolarHBondContact ND2-O 3.18Å; N116-S149 PolarHBondContact O-N 2.55Å; N116-N165 PolarHBondContact ND2-O 3.48Å; N116-T167 PolarHBondContact OD1-N 2.91Å
117K91.5Very high83.3Confident76 Ų7665 Ų6533%0.3335%0.349SS..BIsolated β-bridgetrans-66.8134.7175.2-179171.3173.8175.50111L114 Y115 D119 D121 S123 K147L114-K117 HydrophobicContact CB-CB 4.48Å; L114-K117 HydrophobicContact CD2-CB 4.15Å; L114-K117 HydrophobicContact CG-CB 4.35Å; L114-K117 WeakPolarHBondContact O-CB 3.39Å; L114-K117 PolarHBondContact O-N 2.86Å; Y115-K117 VanDerWaalsContact C-N 3.29Å; Y115-K117 PolarHBondContact O-N 3.46Å; K117-D119 WeakPolarHBondContact CE-O 3.37Å; K117-D119 HydrophobicContact CG-CB 4.31Å; K117-D121 WeakPolarHBondContact CE-O 3.38Å; K117-D121 PolarHBondContact NZ-O 2.83Å; K117-S123 PolarHBondContact NZ-O 2.85Å; K117-K147 WeakPolarHBondContact CA-O 3.38Å
118A88.2Confident83.2Confident36 Ų3666.8 Ų66.830%0.29836%0.36SS..  trans-108.724.5-174.800000114V71 K147 S149V71-A118 HydrophobicContact CB-CB 4.44Å; V71-A118 HydrophobicContact CG1-CB 3.94Å; V71-A118 HydrophobicContact CG2-CB 3.67Å; A118-K147 PolarHBondContact N-O 3.12Å; A118-S149 WeakPolarHBondContact CB-OG 3.25Å
119D80.8Confident83.1Confident43 Ų4371 Ų7123%0.2338%0.383CS..  trans-136.4126.4-167.8-15618.1000111.5K117 D121 K147K117-D119 WeakPolarHBondContact CE-O 3.37Å; K117-D119 HydrophobicContact CG-CB 4.31Å; D119-D121 PolarHBondContact O-N 3.43Å; D119-K147 HydrophobicContact CB-CB 4.16Å; D119-K147 HydrophobicContact CB-CD 3.97Å; D119-K147 HydrophobicContact CB-CG 4.42Å; D119-K147 IonicContact OD1-NZ 2.63Å; D119-K147 PolarHBondContact OD1-NZ 3.48Å; D119-K147 WeakPolarHBondContact OD2-CD 3.4Å; D119-K147 WeakPolarHBondContact OD2-CE 3.47Å; D119-K147 IonicContact OD2-NZ 2.71Å; D119-K147 PolarHBondContact OD2-NZ 2.95Å
120D69.2Low83.2Confident155 Ų15567.3 Ų67.383%0.82937%0.369SS*.SBendtrans-67.5-24.5178.7-70.7-36.5000112.4F122D120-F122 VanDerWaalsContact O-CD2 3.26Å; D120-F122 WeakPolarHBondContact O-CD2 3.38Å; D120-F122 PolarHBondContact O-N 3.11Å; D120-F122 VanDerWaalsContact O-N 3.1Å
121D69.8Low83.3Confident111 Ų11170.3 Ų70.359%0.59438%0.379SS*.  trans-69.9104.8176.8-87.5-29.6000110.7K117 D119 S123K117-D121 WeakPolarHBondContact CE-O 3.38Å; K117-D121 PolarHBondContact NZ-O 2.83Å; D119-D121 PolarHBondContact O-N 3.43Å; D121-S123 PolarHBondContact O-N 2.86Å; D121-S123 PolarHBondContact O-OG 2.85Å
122F59.6Low83.6Confident206 Ų20668.5 Ų68.590%0.90437%0.37SS*.  trans-66.629.2171.5-71.5-88.4000114.4D120 G124D120-F122 VanDerWaalsContact O-CD2 3.26Å; D120-F122 WeakPolarHBondContact O-CD2 3.38Å; D120-F122 PolarHBondContact O-N 3.11Å; D120-F122 VanDerWaalsContact O-N 3.1Å; F122-G124 PolarHBondContact O-N 2.9Å
123S61.8Low83.8Confident79 Ų7971.2 Ų71.255%0.55238%0.378SS*.  trans-59.8125.8161.657.50000109.7K117 D121K117-S123 PolarHBondContact NZ-O 2.85Å; D121-S123 PolarHBondContact O-N 2.86Å; D121-S123 PolarHBondContact O-OG 2.85Å
124G65.1Low84Confident50 Ų5073.8 Ų73.852%0.51538%0.383SS..  trans-92.9-169.817200000111.9F122F122-G124 PolarHBondContact O-N 2.9Å
125P69.7Low84.1Confident44 Ų4475.7 Ų75.729%0.28639%0.393SS..SBendtrans-55.6152.9166.8-19.632.2000111.1D127 W140 A142P125-D127 PolarHBondContact O-N 2.98Å; P125-W140 HydrophobicContact CB-CH2 4.42Å; P125-W140 HydrophobicContact CB-CZ2 4.46Å; P125-A142 HydrophobicContact CB-CB 3.7Å
126M78.2Confident84.2Confident119 Ų11972.5 Ų72.559%0.58638%0.381SS*.  trans-59.8136.4174-67.1-77.397.200110.7T128 P143M126-T128 HydrophobicContact CB-CG2 4.43Å; M126-T128 PolarHBondContact O-N 2.96Å; M126-P143 HydrophobicContact CB-CG 4.36Å; M126-P143 HydrophobicContact CG-CG 4.35Å; M126-P143 PolarHBondContact N-O 2.86Å
127D80.3Confident84.4Confident117 Ų11773.3 Ų73.363%0.62638%0.383SS*.  trans-69.873.9173.1-81.5-42000110.8R109 P125R109-D127 IonicContact CZ-OD1 2.65Å; R109-D127 IonicContact NH1-OD1 2.72Å; R109-D127 PolarHBondContact NH1-OD1 2.9Å; R109-D127 IonicContact NH2-OD1 3.08Å; R109-D127 PolarHBondContact NH2-OD1 2.89Å; R109-D127 VanDerWaalsContact NH2-OD1 3.1Å; P125-D127 PolarHBondContact O-N 2.98Å
128T92.4Very high84.7Confident39 Ų3969.7 Ų69.724%0.23937%0.368CS..PPolyproline II helixtrans-73166.5169.454.40000111S104 M126 W140 D141S104-T128 WeakPolarHBondContact CB-O 3.33Å; S104-T128 PolarHBondContact N-O 2.77Å; S104-T128 PolarHBondContact OG-O 2.83Å; M126-T128 HydrophobicContact CB-CG2 4.43Å; M126-T128 PolarHBondContact O-N 2.96Å; T128-W140 PolarHBondContact OG1-NE1 2.63Å; T128-D141 PolarHBondContact OG1-O 2.82Å
129N94.8Very high85.1Confident95 Ų9569.1 Ų69.151%0.50836%0.361SS..EExtended strand (participates in β ladder)trans-73.9143.9168.6-69.8-19.8000110.1I102 P103I102-N129 CarbonylContact O-C 3.58Å; I102-N129 VanDerWaalsContact O-CA 3.25Å; I102-N129 WeakPolarHBondContact O-CA 3.46Å; I102-N129 WeakPolarHBondContact O-CB 3.23Å; P103-N129 WeakPolarHBondContact CA-OD1 3.47Å
130V96.1Very high85.8Confident0 Ų067.7 Ų67.70%035%0.352CS..EExtended strand (participates in β ladder)trans-81.5156.2164.4-620000110.7W82 H101 I102 V107 I138 W140W82-V130 HydrophobicContact CH2-CG1 4.34Å; H101-V130 WeakPolarHBondContact CA-O 3.17Å; I102-V130 HydrophobicContact CD1-CG2 4.18Å; I102-V130 HydrophobicContact CG1-CG2 3.49Å; I102-V130 VanDerWaalsContact CG1-CG2 3.49Å; I102-V130 PolarHBondContact N-O 2.91Å; I102-V130 VanDerWaalsContact N-O 3.12Å; I102-V130 PolarHBondContact O-N 2.93Å; V107-V130 HydrophobicContact CG1-CG2 4.26Å; V107-V130 HydrophobicContact CG2-CG1 4.1Å; V107-V130 HydrophobicContact CG2-CG2 4.01Å; V130-I138 HydrophobicContact CB-CG2 3.75Å; V130-I138 HydrophobicContact CG1-CG2 4Å; V130-I138 HydrophobicContact CG2-CG2 4.04Å; V130-W140 HydrophobicContact CG1-CB 3.72Å; V130-W140 HydrophobicContact CG1-CG 3.78Å
131R96.8Very high87Confident69 Ų6962.3 Ų62.326%0.2632%0.323SS..EExtended strand (participates in β ladder)trans-106.3112.1168.3-179.8178.4164.1-79.3-3.6108.8V99 H101 R133 T139V99-R131 HydrophobicContact CG1-CG 3.67Å; H101-R131 WeakPolarHBondContact NE2-CG 3.47Å; R131-R133 VanDerWaalsContact NH2-NH1 3.16Å; R131-T139 PolarHBondContact N-O 2.76Å; R131-T139 PolarHBondContact O-N 3.06Å
132L96.9Very high88.1Confident0 Ų057 Ų570%030%0.295CS..EExtended strand (participates in β ladder)trans-105.2131-179.8164.664.5000109.4L33 L87 W89 V99 I100 I102 I138L33-L132 HydrophobicContact CD1-CD2 4.32Å; L87-L132 HydrophobicContact CB-CD1 4.01Å; L87-L132 HydrophobicContact CB-CD2 4.05Å; L87-L132 HydrophobicContact CD1-CD2 4.33Å; W89-L132 HydrophobicContact CH2-CD2 4.42Å; W89-L132 HydrophobicContact CH2-CG 3.98Å; W89-L132 HydrophobicContact CZ3-CD1 4.23Å; W89-L132 HydrophobicContact CZ3-CD2 3.91Å; W89-L132 HydrophobicContact CZ3-CG 3.75Å; V99-L132 WeakPolarHBondContact CA-O 3.36Å; I100-L132 HydrophobicContact CD1-CD2 4.09Å; I100-L132 HydrophobicContact CG1-CB 4.25Å; I100-L132 HydrophobicContact CG1-CD2 4.06Å; I100-L132 HydrophobicContact CG1-CG 4.31Å; I100-L132 PolarHBondContact N-O 3.03Å; I100-L132 PolarHBondContact O-N 2.93Å; I102-L132 HydrophobicContact CD1-CD2 4Å; L132-I138 HydrophobicContact CB-CG1 4.42Å; L132-I138 HydrophobicContact CD1-CD1 4.21Å; L132-I138 HydrophobicContact CD1-CG1 3.62Å
133R97.2Very high89.7Confident81 Ų8148.1 Ų48.131%0.30626%0.257SS..EExtended strand (participates in β ladder)trans-100.3155.8173.9-93.3-166.9-96.4-129.83.2112.4D98 V99 R131 N135 G136 E137D98-R133 WeakPolarHBondContact O-CA 3.44Å; V99-R133 HydrophobicContact CG2-CG 3.6Å; R131-R133 VanDerWaalsContact NH2-NH1 3.16Å; R133-N135 WeakPolarHBondContact CB-OD1 3.49Å; R133-N135 PolarHBondContact O-N 2.86Å; R133-G136 PolarHBondContact O-N 3.13Å; R133-E137 HydrophobicContact CB-CB 4.43Å; R133-E137 IonicContact CZ-OE2 3.99Å; R133-E137 PolarHBondContact N-O 2.91Å; R133-E137 IonicContact NE-OE2 2.77Å; R133-E137 PolarHBondContact NE-OE2 2.95Å; R133-E137 IonicContact NH2-OE1 3.17Å; R133-E137 IonicContact NH2-OE2 3.52Å; R133-E137 PolarHBondContact NH2-OE2 2.9Å
134Y95.8Very high91.1Very high108 Ų10844.9 Ų44.942%0.42424%0.235SC..THydrogen-bonded Turntrans-52.2-29.3-179.876-87.6000115.2R88 W89 T91 D98 G136R88-Y134 WeakPolarHBondContact CA-O 3.28Å; W89-Y134 VanDerWaalsContact CE2-CA 3.49Å; W89-Y134 VanDerWaalsContact CH2-N 3.34Å; W89-Y134 VanDerWaalsContact CZ2-CA 3.49Å; W89-Y134 PolarHBondContact N-O 3.15Å; T91-Y134 HydrophobicContact CG2-CD1 4.02Å; T91-Y134 HydrophobicContact CG2-CD2 4.08Å; T91-Y134 HydrophobicContact CG2-CG 3.65Å; D98-Y134 HydrophobicContact CB-CD1 4.21Å; D98-Y134 PolarHBondContact O-N 2.75Å; Y134-G136 VanDerWaalsContact C-N 3.29Å; Y134-G136 PolarHBondContact O-N 3.12Å
135N95.9Very high92.4Very high62 Ų6247.2 Ų47.233%0.33224%0.235SC..THydrogen-bonded Turntrans-77.2-11.5178.968.5-25.4000113.8H83 R88 R133 E137H83-N135 PolarHBondContact CE1-O 3.25Å; H83-N135 PolarHBondContact NE2-O 2.9Å; R88-N135 WeakPolarHBondContact CG-O 3.43Å; R88-N135 PolarHBondContact NE-O 3.1Å; R133-N135 WeakPolarHBondContact CB-OD1 3.49Å; R133-N135 PolarHBondContact O-N 2.86Å; N135-E137 WeakPolarHBondContact OD1-CB 3.09Å; N135-E137 PolarHBondContact OD1-N 3.36Å
136G95.3Very high93.5Very high0 Ų045.8 Ų45.80%023%0.226CC..SBendtrans94.57.8-17400000114.9H83 D84 L87 R133 Y134 I138H83-G136 WeakPolarHBondContact CA-O 3.43Å; H83-G136 PolarHBondContact ND1-O 3.12Å; H83-G136 VanDerWaalsContact ND1-O 3.11Å; D84-G136 PolarHBondContact N-O 2.89Å; L87-G136 WeakPolarHBondContact O-CA 3.28Å; R133-G136 PolarHBondContact O-N 3.13Å; Y134-G136 VanDerWaalsContact C-N 3.29Å; Y134-G136 PolarHBondContact O-N 3.12Å; G136-I138 PolarHBondContact O-N 3.33Å
137E97.6Very high94.2Very high50 Ų5043.3 Ų43.323%0.23421%0.212CC..EExtended strand (participates in β ladder)trans-72.2126168.5-174.2-163.6-109.500110T81 R133 N135T81-E137 HydrophobicContact CG2-CG 3.76Å; R133-E137 HydrophobicContact CB-CB 4.43Å; R133-E137 IonicContact CZ-OE2 3.99Å; R133-E137 PolarHBondContact N-O 2.91Å; R133-E137 IonicContact NE-OE2 2.77Å; R133-E137 PolarHBondContact NE-OE2 2.95Å; R133-E137 IonicContact NH2-OE1 3.17Å; R133-E137 IonicContact NH2-OE2 3.52Å; R133-E137 PolarHBondContact NH2-OE2 2.9Å; N135-E137 WeakPolarHBondContact OD1-CB 3.09Å; N135-E137 PolarHBondContact OD1-N 3.36Å
138I97.5Very high94.9Very high0 Ų037.8 Ų37.80%018%0.182CC..EExtended strand (participates in β ladder)trans-112.3124.1173.4-57.4-178.4000108.6T81 W82 D84 L87 V107 V130 L132 G136T81-I138 VanDerWaalsContact CA-O 3.3Å; T81-I138 WeakPolarHBondContact CA-O 3.23Å; W82-I138 HydrophobicContact CD2-CB 4.23Å; W82-I138 HydrophobicContact CH2-CB 4.47Å; W82-I138 HydrophobicContact CH2-CG2 3.73Å; W82-I138 HydrophobicContact CZ2-CB 3.98Å; W82-I138 HydrophobicContact CZ2-CD1 4.22Å; W82-I138 HydrophobicContact CZ2-CG2 3.52Å; W82-I138 HydrophobicContact CZ3-CG2 4.29Å; W82-I138 PolarHBondContact N-O 2.62Å; W82-I138 PolarHBondContact O-N 3.29Å; D84-I138 HydrophobicContact CB-CD1 3.77Å; D84-I138 HydrophobicContact CB-CG1 4.37Å; L87-I138 HydrophobicContact CD1-CD1 3.99Å; V107-I138 HydrophobicContact CB-CD1 4.3Å; V107-I138 HydrophobicContact CG1-CD1 4.19Å; V130-I138 HydrophobicContact CB-CG2 3.75Å; V130-I138 HydrophobicContact CG1-CG2 4Å; V130-I138 HydrophobicContact CG2-CG2 4.04Å; L132-I138 HydrophobicContact CB-CG1 4.42Å; L132-I138 HydrophobicContact CD1-CD1 4.21Å; L132-I138 HydrophobicContact CD1-CG1 3.62Å; G136-I138 PolarHBondContact O-N 3.33Å
139T96.9Very high95Very high24 Ų2438.9 Ų38.915%0.14719%0.191CC..EExtended strand (participates in β ladder)trans-106119.8166.3-48.30000109R79 R131R79-T139 HydrophobicContact CG-CG2 3.94Å; R131-T139 PolarHBondContact N-O 2.76Å; R131-T139 PolarHBondContact O-N 3.06Å
140W95.9Very high94.9Very high13 Ų1334.6 Ų34.65%0.04917%0.169CC..EExtended strand (participates in β ladder)trans-104.7126.4165.4-170.924.4000108.8R79 Q80 W82 R109 P125 T128 V130 A142R79-W140 WeakPolarHBondContact CA-O 3.41Å; Q80-W140 PolarHBondContact N-O 2.86Å; Q80-W140 PolarHBondContact O-N 2.82Å; W82-W140 HydrophobicContact CH2-CB 3.81Å; W82-W140 HydrophobicContact CZ3-CB 3.68Å; R109-W140 VanDerWaalsContact NH1-CZ2 3.34Å; P125-W140 HydrophobicContact CB-CH2 4.42Å; P125-W140 HydrophobicContact CB-CZ2 4.46Å; T128-W140 PolarHBondContact OG1-NE1 2.63Å; V130-W140 HydrophobicContact CG1-CB 3.72Å; V130-W140 HydrophobicContact CG1-CG 3.78Å; W140-A142 HydrophobicContact CZ2-CB 4.08Å
141D93.1Very high94.7Very high42 Ų4240.3 Ų40.323%0.22520%0.204CC..EExtended strand (participates in β ladder)trans-122.3118.2174.8-153.3-28.9000108R79 T128R79-D141 IonicContact CZ-OD2 2.83Å; R79-D141 IonicContact NE-OD2 2.73Å; R79-D141 PolarHBondContact NE-OD2 2.84Å; R79-D141 IonicContact NH2-OD2 3.85Å; R79-D141 PolarHBondContact NH2-OD2 3.39Å; T128-D141 PolarHBondContact OG1-O 2.82Å
142A92.9Very high94.4Very high0 Ų037.2 Ų37.20%019%0.192CC..EExtended strand (participates in β ladder)trans-132.6120.7-169.800000110.9I78 P125 W140I78-A142 PolarHBondContact N-O 2.95Å; I78-A142 PolarHBondContact O-N 2.92Å; I78-A142 VanDerWaalsContact O-N 3.15Å; P125-A142 HydrophobicContact CB-CB 3.7Å; W140-A142 HydrophobicContact CZ2-CB 4.08Å
143P93.6Very high94Very high18 Ų1840.7 Ų40.712%0.11721%0.211CC..EExtended strand (participates in β ladder)trans-74.1137.1171.729.6-30.8000110.2Y75 L76 W77 M126Y75-P143 HydrophobicContact CE2-CB 3.9Å; Y75-P143 VanDerWaalsContact OH-CB 3.23Å; Y75-P143 WeakPolarHBondContact OH-CB 3.36Å; L76-P143 WeakPolarHBondContact O-CA 3.4Å; W77-P143 HydrophobicContact CD2-CB 4.23Å; W77-P143 HydrophobicContact CE3-CB 3.94Å; W77-P143 HydrophobicContact CE3-CG 4.33Å; W77-P143 HydrophobicContact CH2-CB 4.09Å; W77-P143 HydrophobicContact CH2-CG 4.16Å; W77-P143 HydrophobicContact CZ2-CB 4.37Å; W77-P143 HydrophobicContact CZ3-CB 3.88Å; W77-P143 HydrophobicContact CZ3-CG 3.86Å; M126-P143 HydrophobicContact CB-CG 4.36Å; M126-P143 HydrophobicContact CG-CG 4.35Å; M126-P143 PolarHBondContact N-O 2.86Å
144A91.4Very high93.5Very high11 Ų1136.9 Ų36.99%0.09120%0.197CC..EExtended strand (participates in β ladder)trans-138.6138.7178.300000111.2Y75 L76 I78 T146Y75-A144 WeakPolarHBondContact CA-O 3.34Å; Y75-A144 WeakPolarHBondContact CD2-O 3.5Å; L76-A144 PolarHBondContact N-O 2.9Å; L76-A144 PolarHBondContact O-N 2.97Å; I78-A144 HydrophobicContact CD1-CB 3.74Å; I78-A144 HydrophobicContact CG1-CB 4.3Å; A144-T146 HydrophobicContact CB-CG2 4.36Å
145I92.3Very high93.1Very high100 Ų10033 Ų3351%0.51319%0.185SC..EExtended strand (participates in β ladder)trans-92110.2161.9-60.6173000106.3I73 A74 Y75I73-I145 HydrophobicContact CG2-CG2 3.8Å; A74-I145 CarbonylContact O-C 3.57Å; A74-I145 WeakPolarHBondContact O-CA 3.39Å; Y75-I145 HydrophobicContact CD2-CG1 3.76Å; Y75-I145 HydrophobicContact CE2-CG1 4.39Å
146T92.1Very high92.7Very high14 Ų1437.2 Ų37.29%0.08620%0.197CC..EExtended strand (participates in β ladder)trans-98.7127.9178.752.20000110.5I73 A74 L76 L114 A144I73-T146 WeakPolarHBondContact CA-O 3.32Å; A74-T146 PolarHBondContact N-O 3.37Å; A74-T146 PolarHBondContact O-N 3.05Å; A74-T146 PolarHBondContact O-OG1 3.23Å; L76-T146 HydrophobicContact CD1-CG2 3.84Å; L76-T146 WeakPolarHBondContact CD1-OG1 3.35Å; L76-T146 HydrophobicContact CG-CG2 4.49Å; L114-T146 HydrophobicContact CD2-CG2 4.33Å; A144-T146 HydrophobicContact CB-CG2 4.36Å
147K93.9Very high92.3Very high67 Ų6738 Ų3829%0.29120%0.201SC..EExtended strand (participates in β ladder)trans-101119.6163.9-54.9-170.8-159.6152.60108.8V71 L72 I73 K117 A118 D119V71-K147 HydrophobicContact CG1-CB 3.87Å; L72-K147 WeakPolarHBondContact O-CA 3.34Å; I73-K147 HydrophobicContact CD1-CD 4.33Å; I73-K147 HydrophobicContact CD1-CG 4.29Å; I73-K147 HydrophobicContact CG1-CG 4.14Å; I73-K147 HydrophobicContact CG2-CG 4.33Å; K117-K147 WeakPolarHBondContact CA-O 3.38Å; A118-K147 PolarHBondContact N-O 3.12Å; D119-K147 HydrophobicContact CB-CB 4.16Å; D119-K147 HydrophobicContact CB-CD 3.97Å; D119-K147 HydrophobicContact CB-CG 4.42Å; D119-K147 IonicContact OD1-NZ 2.63Å; D119-K147 PolarHBondContact OD1-NZ 3.48Å; D119-K147 WeakPolarHBondContact OD2-CD 3.4Å; D119-K147 WeakPolarHBondContact OD2-CE 3.47Å; D119-K147 IonicContact OD2-NZ 2.71Å; D119-K147 PolarHBondContact OD2-NZ 2.95Å
148S94.5Very high91.8Very high0 Ų035.8 Ų35.80%019%0.191CC..EExtended strand (participates in β ladder)trans-127.1135.7-173.855.50000112V71 L72 N116 C150 L166V71-S148 WeakPolarHBondContact CA-O 3.33Å; L72-S148 PolarHBondContact N-O 3.29Å; L72-S148 PolarHBondContact O-N 2.9Å; L72-S148 PolarHBondContact O-OG 3.45Å; N116-S148 CarbonylContact O-C 3.58Å; N116-S148 WeakPolarHBondContact O-CA 3.43Å; S148-C150 PolarHBondContact O-N 3.12Å; S148-L166 VanDerWaalsContact CB-CD2 3.46Å; S148-L166 VanDerWaalsContact OG-CD2 3.29Å; S148-L166 WeakPolarHBondContact OG-CD2 3.47Å
149S94.3Very high91.4Very high62 Ų6239 Ų3943%0.43421%0.205SC..EExtended strand (participates in β ladder)trans-65.7124.1174-52.30000110.1Q70 N116 A118Q70-S149 WeakPolarHBondContact O-CA 3.38Å; N116-S149 PolarHBondContact ND2-O 3.18Å; N116-S149 PolarHBondContact O-N 2.55Å; A118-S149 WeakPolarHBondContact CB-OG 3.25Å
150C94.1Very high91.1Very high5 Ų538 Ų383%0.03420%0.199CC..  trans-134.9124.5178.4178.20000110.5Q70 L72 S148 V152 C164Q70-C150 CarbonylContact C-O 3.57Å; Q70-C150 VanDerWaalsContact CB-O 3.3Å; Q70-C150 WeakPolarHBondContact CB-O 3.22Å; Q70-C150 PolarHBondContact O-N 3.33Å; L72-C150 HydrophobicContact CB-CB 4.34Å; S148-C150 PolarHBondContact O-N 3.12Å; C150-V152 PolarHBondContact O-N 2.7Å; C150-C164 HydrophobicContact CB-CB 3.73Å; C150-C164 WeakPolarHBondContact CB-SG 3.44Å; C150-C164 WeakPolarHBondContact SG-CA 3.42Å; C150-C164 WeakPolarHBondContact SG-CB 3.35Å; C150-C164 CovalentContact SG-SG 2.04Å; C150-C164 PolarHBondContact SG-SG 2.92Å
151V91.1Very high90.9Very high121 Ų12140.9 Ų40.973%0.73322%0.221SC*.  trans-80.5111.5179.7-178.10000109.3
152V90Very high91Very high3 Ų339.2 Ų39.22%0.01821%0.211CC..  trans-95.3124.5-174.5173.20000111.3M65 E67 C150 V154 Q162M65-V152 HydrophobicContact SD-CG2 4.37Å; E67-V152 HydrophobicContact CB-CB 4.41Å; E67-V152 HydrophobicContact CB-CG1 3.95Å; E67-V152 HydrophobicContact CB-CG2 4.4Å; E67-V152 HydrophobicContact CG-CG1 3.92Å; E67-V152 HydrophobicContact CG-CG2 4.45Å; C150-V152 PolarHBondContact O-N 2.7Å; V152-V154 HydrophobicContact CG1-CG1 4.08Å; V152-Q162 HydrophobicContact CG1-CG 4.35Å
153D88.6Confident91.1Very high73 Ų7345.8 Ų45.839%0.3924%0.242SC..  trans-93.3110.6171.2-177.920.8000111.5S155 Q162D153-S155 WeakPolarHBondContact OD1-CB 3.23Å; D153-S155 PolarHBondContact OD1-N 2.9Å; D153-S155 PolarHBondContact OD1-OG 2.96Å; D153-S155 WeakPolarHBondContact OD2-CB 3.41Å; D153-S155 PolarHBondContact OD2-OG 2.81Å; D153-Q162 PolarHBondContact O-NE2 2.79Å
154V87.9Confident91.2Very high2 Ų245 Ų451%0.01224%0.237CC..  trans-92.27.8177.4-73.30000113.8V152 Y156 F157 P286 P292V152-V154 HydrophobicContact CG1-CG1 4.08Å; V154-Y156 PolarHBondContact O-N 3.1Å; V154-Y156 VanDerWaalsContact O-N 3.1Å; V154-F157 HydrophobicContact CB-CB 4.5Å; V154-F157 WeakPolarHBondContact O-CB 3.23Å; V154-F157 PolarHBondContact O-N 3.17Å; V154-P286 HydrophobicContact CG1-CG 3.96Å; V154-P286 HydrophobicContact CG2-CG 4.3Å; V154-P292 HydrophobicContact CB-CG 4.16Å; V154-P292 HydrophobicContact CG2-CG 3.82Å; V154-P292 WeakPolarHBondContact O-CB 3.32Å
155S86.7Confident91.5Very high25 Ų2547.9 Ų47.918%0.17525%0.251CS..THydrogen-bonded Turntrans-48.1-41.9-178.2-73.20000114D153 S290 L293D153-S155 WeakPolarHBondContact OD1-CB 3.23Å; D153-S155 PolarHBondContact OD1-N 2.9Å; D153-S155 PolarHBondContact OD1-OG 2.96Å; D153-S155 WeakPolarHBondContact OD2-CB 3.41Å; D153-S155 PolarHBondContact OD2-OG 2.81Å; S155-S290 PolarHBondContact OG-OG 3.45Å; S155-S290 VanDerWaalsContact OG-OG 3.06Å; S155-L293 WeakPolarHBondContact O-CB 3.33Å; S155-L293 PolarHBondContact O-N 3.16Å
156Y87.3Confident91.7Very high151 Ų15143.1 Ų43.159%0.59223%0.227SC*.THydrogen-bonded Turntrans-110.112.5-173.8-69-82.1000114.5V154 F159V154-Y156 PolarHBondContact O-N 3.1Å; V154-Y156 VanDerWaalsContact O-N 3.1Å; Y156-F159 WeakPolarHBondContact O-CA 3.47Å; Y156-F159 PolarHBondContact O-N 2.7Å
157F86.4Confident91.9Very high17 Ų1743.6 Ų43.68%0.07523%0.229CC..THydrogen-bonded Turntrans-50.2136.2-179.9-179.9-79.6000112.7V154 Y235 L239 M285 I294V154-F157 HydrophobicContact CB-CB 4.5Å; V154-F157 WeakPolarHBondContact O-CB 3.23Å; V154-F157 PolarHBondContact O-N 3.17Å; F157-Y235 HydrophobicContact CE1-CD1 4.13Å; F157-Y235 HydrophobicContact CE1-CG 4.42Å; F157-Y235 HydrophobicContact CE2-CD1 4.45Å; F157-Y235 HydrophobicContact CE2-CE1 4.29Å; F157-Y235 AromaticContact CZ-CD1 3.52Å; F157-Y235 HydrophobicContact CZ-CD1 3.52Å; F157-Y235 AromaticContact CZ-CE1 3.7Å; F157-Y235 HydrophobicContact CZ-CE1 3.7Å; F157-Y235 HydrophobicContact CZ-CG 4.03Å; F157-L239 HydrophobicContact CE1-CD1 4.16Å; F157-M285 HydrophobicContact CD1-CE 3.33Å; F157-M285 HydrophobicContact CD2-CE 4.15Å; F157-M285 HydrophobicContact CE1-CE 3.32Å; F157-M285 HydrophobicContact CE2-CE 4.12Å; F157-M285 HydrophobicContact CG-CE 3.76Å; F157-M285 HydrophobicContact CZ-CE 3.72Å; F157-I294 HydrophobicContact CB-CG2 4.46Å; F157-I294 HydrophobicContact CD1-CG2 3.94Å
158P88.2Confident91.9Very high4 Ų440.7 Ų40.73%0.02622%0.217CC..THydrogen-bonded Turncis-93.920.64.638.8-39000114.4D160 S232 Y235P158-D160 VanDerWaalsContact C-N 3.31Å; P158-D160 VanDerWaalsContact C-OD1 3.27Å; P158-D160 WeakPolarHBondContact CA-OD1 3.41Å; P158-S232 WeakPolarHBondContact O-CB 3.21Å; P158-Y235 HydrophobicContact CB-CD2 3.93Å; P158-Y235 HydrophobicContact CB-CG 3.92Å
159F88.8Confident92Very high66 Ų6640.7 Ų40.729%0.28922%0.217SC..SBendtrans-101.730.9179.7-55.2-84.5000111.2Y156 S232 I236 A555Y156-F159 WeakPolarHBondContact O-CA 3.47Å; Y156-F159 PolarHBondContact O-N 2.7Å; F159-S232 VanDerWaalsContact CE1-OG 3.31Å; F159-S232 WeakPolarHBondContact CE1-OG 3.16Å; F159-I236 HydrophobicContact CE1-CD1 3.89Å; F159-I236 HydrophobicContact CZ-CD1 3.65Å; F159-I236 HydrophobicContact CZ-CG1 3.92Å; F159-A555 HydrophobicContact CD2-CB 4.13Å; F159-A555 HydrophobicContact CE1-CB 4.2Å; F159-A555 HydrophobicContact CE2-CB 3.4Å; F159-A555 HydrophobicContact CZ-CB 3.45Å; F159-A555 VanDerWaalsContact CZ-CB 3.45Å
160D90.4Very high92Very high4 Ų437.9 Ų37.92%0.02120%0.197CC..  trans-83.2153.5-17755.1-62.8000112.9P158 Q162 R230P158-D160 VanDerWaalsContact C-N 3.31Å; P158-D160 VanDerWaalsContact C-OD1 3.27Å; P158-D160 WeakPolarHBondContact CA-OD1 3.41Å; D160-Q162 PolarHBondContact OD2-NE2 2.87Å; D160-R230 PolarHBondContact O-N 3Å; D160-R230 VanDerWaalsContact O-N 3.11Å; D160-R230 IonicContact OD1-CZ 2.71Å; D160-R230 IonicContact OD1-NE 3.17Å; D160-R230 PolarHBondContact OD1-NE 2.78Å; D160-R230 IonicContact OD1-NH2 2.66Å; D160-R230 IonicContact OD2-CZ 2.62Å; D160-R230 IonicContact OD2-NE 2.77Å; D160-R230 PolarHBondContact OD2-NE 3.42Å; D160-R230 VanDerWaalsContact OD2-NE 3.13Å; D160-R230 IonicContact OD2-NH2 2.74Å; D160-R230 PolarHBondContact OD2-NH2 3.37Å
161S92.3Very high91.8Very high73 Ų7346.2 Ų46.251%0.5123%0.228SC..EExtended strand (participates in β ladder)trans-129.6142.1170.2-60.30000108.2L228S161-L228 CarbonylContact C-O 3.57Å; S161-L228 WeakPolarHBondContact CA-O 3.41Å; S161-L228 WeakPolarHBondContact CB-O 3.37Å
162Q94.3Very high91.8Very high7 Ų744.5 Ų44.53%0.03322%0.218CC..EExtended strand (participates in β ladder)trans-127.5142.6-171-50.6-58-22.900110.4V152 D153 D160 W198 L228V152-Q162 HydrophobicContact CG1-CG 4.35Å; D153-Q162 PolarHBondContact O-NE2 2.79Å; D160-Q162 PolarHBondContact OD2-NE2 2.87Å; Q162-W198 HydrophobicContact CB-CZ3 4.49Å; Q162-W198 HydrophobicContact CG-CH2 3.7Å; Q162-W198 HydrophobicContact CG-CZ3 3.79Å; Q162-L228 HydrophobicContact CB-CB 4.46Å; Q162-L228 PolarHBondContact N-O 3.08Å; Q162-L228 PolarHBondContact O-N 3.03Å
163E95.4Very high92Very high139 Ų13946.7 Ų46.765%0.6523%0.226SC*.EExtended strand (participates in β ladder)trans-117.9101.6179-59.8-170.6169.800109.1T225 L227E163-T225 HydrophobicContact CB-CG2 4.12Å; E163-L227 HydrophobicContact CB-CD2 4.4Å; E163-L227 HydrophobicContact CG-CD2 3.81Å
164C96.5Very high92.2Very high0 Ų043.9 Ų43.90%021%0.211CC..EExtended strand (participates in β ladder)trans-105.6114.8-174.6-66.30000112M65 L72 C150 V226M65-C164 VanDerWaalsContact CE-SG 3.53Å; L72-C164 HydrophobicContact CB-CB 4.44Å; L72-C164 HydrophobicContact CD2-CB 3.56Å; C150-C164 HydrophobicContact CB-CB 3.73Å; C150-C164 WeakPolarHBondContact CB-SG 3.44Å; C150-C164 WeakPolarHBondContact SG-CA 3.42Å; C150-C164 WeakPolarHBondContact SG-CB 3.35Å; C150-C164 CovalentContact SG-SG 2.04Å; C150-C164 PolarHBondContact SG-SG 2.92Å; C164-V226 HydrophobicContact CB-CB 4.47Å; C164-V226 PolarHBondContact N-O 3.44Å; C164-V226 PolarHBondContact O-N 2.67Å
165N96.7Very high92.4Very high73 Ų7344.5 Ų44.539%0.3922%0.218SC..EExtended strand (participates in β ladder)trans-80.9141.2179.7-68.6-32.4000112N116 T223 Y224 T225N116-N165 PolarHBondContact ND2-O 3.48Å; N165-T223 HydrophobicContact CB-CG2 3.79Å; N165-Y224 CarbonylContact C-O 3.53Å; N165-T225 WeakPolarHBondContact OD1-CB 3.38Å; N165-T225 WeakPolarHBondContact OD1-CG2 3.2Å; N165-T225 PolarHBondContact OD1-OG1 2.77Å
166L96.1Very high92.6Very high0 Ų047.7 Ų47.70%023%0.233CC..EExtended strand (participates in β ladder)trans-125.696.8172.2-63.4171.9000107.6L76 L114 S148 F168 Y224 V226L76-L166 HydrophobicContact CD1-CD1 4.11Å; L114-L166 HydrophobicContact CD1-CB 4.24Å; L114-L166 HydrophobicContact CD1-CD2 4.2Å; S148-L166 VanDerWaalsContact CB-CD2 3.46Å; S148-L166 VanDerWaalsContact OG-CD2 3.29Å; S148-L166 WeakPolarHBondContact OG-CD2 3.47Å; L166-F168 HydrophobicContact CB-CE2 3.96Å; L166-Y224 PolarHBondContact N-O 2.92Å; L166-Y224 PolarHBondContact O-N 2.89Å; L166-V226 HydrophobicContact CD1-CG2 3.71Å; L166-V226 HydrophobicContact CG-CG2 4.25Å
167T95.8Very high92.9Very high23 Ų2344 Ų4414%0.14122%0.221CC..EExtended strand (participates in β ladder)trans-97.8112.7-175.1-56.40000111L114 Y115 N116 D221 T223L114-T167 WeakPolarHBondContact CA-O 3.39Å; Y115-T167 HydrophobicContact CD2-CG2 3.76Å; Y115-T167 HydrophobicContact CE2-CG2 4.43Å; Y115-T167 PolarHBondContact N-O 2.89Å; N116-T167 PolarHBondContact OD1-N 2.91Å; T167-D221 HydrophobicContact CG2-CB 3.94Å; T167-D221 WeakPolarHBondContact CG2-OD2 3.5Å; T167-T223 WeakPolarHBondContact CG2-OG1 3.3Å; T167-T223 PolarHBondContact OG1-OG1 3.13Å
168F95.8Very high93.4Very high6 Ų643.2 Ų43.23%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-104.4132.5177.6-66.3-87.3000111.4L55 I57 L76 I78 V113 L114 L166 D221 I222 Y224L55-F168 HydrophobicContact CD2-CB 3.72Å; L55-F168 HydrophobicContact CD2-CG 4.21Å; I57-F168 HydrophobicContact CD1-CD2 4.33Å; I57-F168 HydrophobicContact CD1-CE2 3.94Å; I57-F168 HydrophobicContact CD1-CZ 4.06Å; I57-F168 HydrophobicContact CG1-CD2 4.4Å; I57-F168 HydrophobicContact CG1-CE2 4.09Å; L76-F168 HydrophobicContact CD1-CE2 4.5Å; L76-F168 HydrophobicContact CD1-CZ 3.97Å; I78-F168 HydrophobicContact CD1-CE1 4.04Å; I78-F168 HydrophobicContact CD1-CZ 4.42Å; V113-F168 WeakPolarHBondContact O-CA 3.48Å; L114-F168 HydrophobicContact CB-CD1 4.38Å; L114-F168 HydrophobicContact CB-CE1 4.14Å; L114-F168 HydrophobicContact CD1-CE1 4.28Å; L114-F168 HydrophobicContact CD1-CE2 4.32Å; L114-F168 HydrophobicContact CD1-CZ 4.14Å; L166-F168 HydrophobicContact CB-CE2 3.96Å; F168-D221 CarbonylContact O-C 3.43Å; F168-D221 WeakPolarHBondContact O-CA 3.44Å; F168-I222 PolarHBondContact N-O 3.01Å; F168-I222 PolarHBondContact O-N 3.46Å; F168-Y224 HydrophobicContact CD2-CD2 4.1Å; F168-Y224 HydrophobicContact CD2-CE2 4.41Å; F168-Y224 HydrophobicContact CE2-CD2 4.42Å
169G94.9Very high93.7Very high0 Ų045 Ų450%023%0.227CC..EExtended strand (participates in β ladder)trans-153.1168.2176.300000112.5L112 V113L112-G169 WeakPolarHBondContact CA-O 3.44Å; V113-G169 PolarHBondContact N-O 2.68Å; V113-G169 PolarHBondContact O-N 2.89Å
170S94.3Very high94.1Very high3 Ų341.9 Ų41.92%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-73.6140.9170.2172.10000109.8D111 Y115 Y173D111-S170 WeakPolarHBondContact OD1-CB 3.4Å; D111-S170 PolarHBondContact OD1-OG 2.78Å; D111-S170 PolarHBondContact OD2-OG 2.83Å; Y115-S170 PolarHBondContact OH-O 3.47Å; S170-Y173 WeakPolarHBondContact OG-CB 3.08Å; S170-Y173 PolarHBondContact OG-N 2.98Å; S170-Y173 PolarHBondContact OG-O 3.38Å
171W90.9Very high94.3Very high180 Ų18044.4 Ų44.468%0.68223%0.226SC*.SBendtrans-82.7-34.6178.5-169.9-111.5000113.5D111 V113 Y115D111-W171 PolarHBondContact O-N 3.43Å; D111-W171 PolarHBondContact OD2-N 3.02Å; V113-W171 HydrophobicContact CG1-CB 4.44Å; V113-W171 HydrophobicContact CG2-CB 3.92Å; V113-W171 HydrophobicContact CG2-CD2 4.44Å; V113-W171 HydrophobicContact CG2-CE3 3.89Å; V113-W171 HydrophobicContact CG2-CG 4.5Å; Y115-W171 HydrophobicContact CD1-CE3 4.34Å; Y115-W171 HydrophobicContact CD1-CZ3 4.4Å; Y115-W171 HydrophobicContact CE1-CE3 4.17Å
172T91.4Very high94.5Very high85 Ų8543.6 Ų43.652%0.52122%0.215SC..SBendtrans-116.9-26.5-170.163.40000114.6D111D111-T172 WeakPolarHBondContact OD2-CB 3.45Å; D111-T172 PolarHBondContact OD2-N 2.73Å; D111-T172 PolarHBondContact OD2-OG1 2.75Å
173Y93.3Very high94.4Very high49 Ų4945 Ų4519%0.19223%0.232CC..  trans-94.5139.6-178.9-58.7-71.6000111.5W108 D111 S170 Q177 V178 Y219W108-Y173 AromaticContact CZ2-CE2 3.78Å; W108-Y173 HydrophobicContact CZ2-CE2 3.78Å; W108-Y173 PolarHBondContact NE1-OH 2.85Å; D111-Y173 WeakPolarHBondContact OD1-CD2 3.47Å; S170-Y173 WeakPolarHBondContact OG-CB 3.08Å; S170-Y173 PolarHBondContact OG-N 2.98Å; S170-Y173 PolarHBondContact OG-O 3.38Å; Y173-Q177 HydrophobicContact CD1-CB 4.04Å; Y173-Q177 HydrophobicContact CG-CB 4.45Å; Y173-V178 HydrophobicContact CD1-CG2 4.32Å; Y173-V178 HydrophobicContact CD2-CG2 3.7Å; Y173-V178 HydrophobicContact CE2-CG2 4.44Å; Y173-V178 HydrophobicContact CG-CB 4.38Å; Y173-V178 HydrophobicContact CG-CG2 3.63Å; Y173-Y219 WeakPolarHBondContact O-CD1 3.41Å; Y173-Y219 WeakPolarHBondContact O-CE1 3.23Å
174N92.6Very high94.3Very high14 Ų1442.2 Ų42.28%0.07522%0.22CC..  trans-85.8170.917068.724.1000111.1N176 Q177 V178 D217 Y219N174-N176 PolarHBondContact O-N 2.77Å; N174-N176 VanDerWaalsContact O-N 3.08Å; N174-N176 WeakPolarHBondContact OD1-CB 3.39Å; N174-N176 PolarHBondContact OD1-N 3.46Å; N174-N176 VanDerWaalsContact OD1-N 3.12Å; N174-Q177 PolarHBondContact O-N 3.07Å; N174-Q177 WeakPolarHBondContact OD1-CG 3.5Å; N174-Q177 PolarHBondContact OD1-N 3.34Å; N174-V178 PolarHBondContact O-N 2.91Å; N174-D217 HydrophobicContact CB-CB 3.79Å; N174-D217 WeakPolarHBondContact ND2-CB 3.37Å; N174-D217 PolarHBondContact ND2-OD2 3.33Å; N174-Y219 HydrophobicContact CB-CE1 4.15Å; N174-Y219 HydrophobicContact CB-CE2 4.21Å
175G91.9Very high94.1Very high15 Ų1548.8 Ų48.816%0.15526%0.255CS..THydrogen-bonded Turntrans-63-15.3-178.500000115.5Q177 P218 P220G175-Q177 VanDerWaalsContact C-N 3.35Å; G175-P218 PolarHBondContact N-O 3.45Å; G175-P220 VanDerWaalsContact CA-CD 3.46Å
176N91.9Very high94.1Very high92 Ų9248.1 Ų48.149%0.49226%0.256SS..THydrogen-bonded Turntrans-81.6-18.2173.8-57.4-37.1000111.8A50 N174A50-N176 WeakPolarHBondContact CA-O 3.31Å; A50-N176 WeakPolarHBondContact CB-O 3.45Å; A50-N176 PolarHBondContact N-O 2.89Å; N174-N176 PolarHBondContact O-N 2.77Å; N174-N176 VanDerWaalsContact O-N 3.08Å; N174-N176 WeakPolarHBondContact OD1-CB 3.39Å; N174-N176 PolarHBondContact OD1-N 3.46Å; N174-N176 VanDerWaalsContact OD1-N 3.12Å
177Q93.9Very high93.9Very high74 Ų7448.2 Ų48.235%0.34626%0.257SS..THydrogen-bonded Turntrans-104.4-43.2-179.1-68.6171.4-27.800112.2R42 L51 Y173 N174 G175R42-Q177 WeakPolarHBondContact CD-O 3.47Å; R42-Q177 PolarHBondContact NH1-O 3.5Å; L51-Q177 PolarHBondContact N-O 3.44Å; Y173-Q177 HydrophobicContact CD1-CB 4.04Å; Y173-Q177 HydrophobicContact CG-CB 4.45Å; N174-Q177 PolarHBondContact O-N 3.07Å; N174-Q177 WeakPolarHBondContact OD1-CG 3.5Å; N174-Q177 PolarHBondContact OD1-N 3.34Å; G175-Q177 VanDerWaalsContact C-N 3.35Å
178V95.5Very high93.8Very high0 Ų048.3 Ų48.30%026%0.256CS..EExtended strand (participates in β ladder)trans-136.2116.3176.3175.10000108.1L51 V53 W108 Y173 N174L51-V178 WeakPolarHBondContact O-CA 3.07Å; V53-V178 HydrophobicContact CB-CG1 4.37Å; V53-V178 HydrophobicContact CG2-CG1 3.73Å; W108-V178 HydrophobicContact CH2-CG2 4.37Å; Y173-V178 HydrophobicContact CD1-CG2 4.32Å; Y173-V178 HydrophobicContact CD2-CG2 3.7Å; Y173-V178 HydrophobicContact CE2-CG2 4.44Å; Y173-V178 HydrophobicContact CG-CB 4.38Å; Y173-V178 HydrophobicContact CG-CG2 3.63Å; N174-V178 PolarHBondContact O-N 2.91Å
179D95.6Very high93.8Very high42 Ų4250.8 Ų50.823%0.22527%0.27CS..EExtended strand (participates in β ladder)trans-103.1125.9172.3-170.143.6000110.6A50 L51 N52 V53 K207A50-D179 HydrophobicContact CB-CB 4.43Å; L51-D179 PolarHBondContact O-N 2.82Å; N52-D179 WeakPolarHBondContact CA-O 3.45Å; V53-D179 PolarHBondContact N-O 2.04Å; D179-K207 IonicContact OD1-NZ 3.34Å; D179-K207 PolarHBondContact OD1-NZ 2.94Å; D179-K207 IonicContact OD2-NZ 3.87Å; D179-K207 PolarHBondContact OD2-NZ 3.35Å
180I95.8Very high93.6Very high1 Ų155.7 Ų55.71%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-93.2125.6-177.6-42.3175.1000108.9V53 L55 L112 K207 P220 I222V53-I180 CarbonylContact O-C 3.55Å; V53-I180 WeakPolarHBondContact O-CA 3.05Å; L55-I180 HydrophobicContact CB-CG2 3.94Å; L55-I180 HydrophobicContact CD2-CG2 4.45Å; L112-I180 HydrophobicContact CD2-CD1 3.6Å; L112-I180 HydrophobicContact CD2-CG1 4.15Å; I180-K207 WeakPolarHBondContact O-CD 3.33Å; I180-K207 VanDerWaalsContact O-CE 3.23Å; I180-K207 WeakPolarHBondContact O-CE 3.4Å; I180-K207 PolarHBondContact O-NZ 2.86Å; I180-P220 WeakPolarHBondContact CD1-O 3.5Å; I180-P220 HydrophobicContact CG1-CG 4.4Å; I180-I222 HydrophobicContact CB-CD1 4.2Å; I180-I222 HydrophobicContact CG2-CD1 3.53Å; I180-I222 HydrophobicContact CG2-CG1 4.31Å
181I96Very high93.4Very high57 Ų5760.8 Ų60.829%0.29233%0.331SS..EExtended strand (participates in β ladder)trans-111.9134-175.9-56.3-176.7000109.1N52 V53 T54 L55 G183N52-I181 HydrophobicContact CB-CD1 3.83Å; V53-I181 PolarHBondContact O-N 3.11Å; T54-I181 CarbonylContact C-O 3.59Å; T54-I181 WeakPolarHBondContact CA-O 3.34Å; L55-I181 PolarHBondContact N-O 2.87Å; I181-G183 PolarHBondContact O-N 2.99Å
182M95.3Very high93.6Very high56 Ų5654.3 Ų54.328%0.27631%0.308SS..EExtended strand (participates in β ladder)trans-68.7123.5172.8-63.2-177.5-5800109.3M184 A205 K207 I222M182-M184 VanDerWaalsContact C-N 3.3Å; M182-A205 HydrophobicContact SD-CB 4.03Å; M182-K207 HydrophobicContact CE-CB 4.05Å; M182-K207 HydrophobicContact CG-CB 4.15Å; M182-K207 HydrophobicContact SD-CB 3.89Å; M182-K207 PolarHBondContact SD-N 3.1Å; M182-K207 VanDerWaalsContact SD-N 3.37Å; M182-I222 HydrophobicContact CB-CD1 4.47Å; M182-I222 HydrophobicContact CG-CD1 3.7Å; M182-I222 HydrophobicContact CG-CG1 3.99Å; M182-I222 HydrophobicContact CG-CG2 3.92Å; M182-I222 HydrophobicContact SD-CG2 4.32Å
183G92.3Very high93.8Very high37 Ų3754.4 Ų54.438%0.38131%0.308SS..SBendtrans-70.1-27.4174.200000113.4L55 I181L55-G183 PolarHBondContact O-N 3.4Å; I181-G183 PolarHBondContact O-N 2.99Å
184M93.4Very high93.8Very high80 Ų8058.9 Ų58.939%0.39433%0.331SS..SBendtrans-151.3156.8175.4-70.1-172.5-66.900110Q56 M182 S186 D188Q56-M184 HydrophobicContact CG-CE 4.15Å; M182-M184 VanDerWaalsContact C-N 3.3Å; M184-S186 WeakPolarHBondContact CB-O 3.29Å; M184-S186 PolarHBondContact O-N 3.42Å; M184-D188 HydrophobicContact CE-CB 3.79Å
185D93.4Very high93.8Very high138 Ų13859.8 Ų59.874%0.73834%0.335SS*.SBendtrans-69.5-11.7179.1-56-47.6000113.7A205D185-A205 PolarHBondContact O-N 2.88Å
186S95.4Very high93.7Very high58 Ų5865.5 Ų65.541%0.40637%0.367SS..BIsolated β-bridgetrans-134.9158.2168.5730000110.4M184 M203M184-S186 WeakPolarHBondContact CB-O 3.29Å; M184-S186 PolarHBondContact O-N 3.42Å; S186-M203 WeakPolarHBondContact CA-O 3.37Å
187G92.9Very high93.6Very high2 Ų264.1 Ų64.12%0.02136%0.357CS..  trans-58.6152.9158.700000111.5I57 M203I57-G187 WeakPolarHBondContact O-CA 3.15Å; G187-M203 PolarHBondContact N-O 2.88Å
188D94.1Very high93.6Very high25 Ų2560.8 Ų60.813%0.13434%0.342CS..BIsolated β-bridgetrans-86.6134.1-178.9176.716.8000110.4I57 T58 L59 M184 S190I57-D188 PolarHBondContact O-N 3.46Å; T58-D188 CarbonylContact C-O 3.56Å; T58-D188 WeakPolarHBondContact CA-O 3.26Å; T58-D188 HydrophobicContact CG2-CB 3.94Å; T58-D188 WeakPolarHBondContact CG2-OD2 3.49Å; T58-D188 WeakPolarHBondContact OG1-CB 3.43Å; T58-D188 PolarHBondContact OG1-OD2 2.89Å; L59-D188 PolarHBondContact N-O 2.83Å; M184-D188 HydrophobicContact CE-CB 3.79Å; D188-S190 VanDerWaalsContact OD1-CB 3.23Å; D188-S190 WeakPolarHBondContact OD1-CB 3.46Å; D188-S190 PolarHBondContact OD1-N 2.76Å; D188-S190 PolarHBondContact OD1-OG 2.93Å
189L94.6Very high93.5Very high59 Ų5964.4 Ų64.431%0.30936%0.358SS..  trans-121.411.1-178.9-58.1179.8000112L59 D191 F192 M203L59-L189 HydrophobicContact CB-CD2 3.9Å; L59-L189 HydrophobicContact CD2-CD2 4.02Å; L59-L189 HydrophobicContact CG-CD2 4.35Å; L189-D191 VanDerWaalsContact C-N 3.29Å; L189-D191 PolarHBondContact O-N 2.84Å; L189-F192 HydrophobicContact CB-CB 4.23Å; L189-F192 WeakPolarHBondContact O-CB 3.46Å; L189-F192 PolarHBondContact O-N 3.05Å; L189-F192 VanDerWaalsContact O-N 3.13Å; L189-M203 HydrophobicContact CD2-CB 4.37Å
190S91.3Very high93.5Very high102 Ų10263.7 Ų63.771%0.71336%0.357SS*.THydrogen-bonded Turntrans-61.9-35.8-174.7-53.40000113D188D188-S190 VanDerWaalsContact OD1-CB 3.23Å; D188-S190 WeakPolarHBondContact OD1-CB 3.46Å; D188-S190 PolarHBondContact OD1-N 2.76Å; D188-S190 PolarHBondContact OD1-OG 2.93Å
191D90.6Very high93.4Very high110 Ų11069.4 Ų69.459%0.58838%0.383SS*.THydrogen-bonded Turntrans-103.524.5177.4-65.1-46.4000112.5L189 V193L189-D191 VanDerWaalsContact C-N 3.29Å; L189-D191 PolarHBondContact O-N 2.84Å; D191-V193 PolarHBondContact O-N 3.13Å
192F95.4Very high93.4Very high45 Ų4567.2 Ų67.220%0.19738%0.375CS..PPolyproline II helixtrans-75.4121.3-179.3179.7-111.6000112.2L59 I62 L189 C200L59-F192 HydrophobicContact CD2-CD2 4.21Å; L59-F192 HydrophobicContact CD2-CE2 4.07Å; L59-F192 HydrophobicContact CG-CD2 3.94Å; L59-F192 HydrophobicContact CG-CE2 4.11Å; I62-F192 HydrophobicContact CD1-CE2 4.12Å; I62-F192 HydrophobicContact CD1-CZ 3.9Å; I62-F192 HydrophobicContact CG1-CE2 4.14Å; I62-F192 HydrophobicContact CG1-CZ 4.41Å; L189-F192 HydrophobicContact CB-CB 4.23Å; L189-F192 WeakPolarHBondContact O-CB 3.46Å; L189-F192 PolarHBondContact O-N 3.05Å; L189-F192 VanDerWaalsContact O-N 3.13Å; F192-C200 HydrophobicContact CE1-CB 3.77Å; F192-C200 HydrophobicContact CE2-CB 4.33Å; F192-C200 HydrophobicContact CZ-CB 3.63Å
193V95Very high93.5Very high87 Ų8764.7 Ų64.753%0.52736%0.362SS..BIsolated β-bridgetrans-85.9117.3171.2-176.90000109.3S60 Q61 D191 N195S60-V193 PolarHBondContact O-N 2.91Å; Q61-V193 HydrophobicContact CB-CB 4.33Å; D191-V193 PolarHBondContact O-N 3.13Å; V193-N195 PolarHBondContact O-N 2.84Å
194E92.4Very high93.7Very high143 Ų14365.5 Ų65.567%0.66836%0.361SS*.PPolyproline II helixtrans-54.6130.2176.5-78.2-168.5-125.100112.4R231E194-R231 IonicContact OE2-CZ 3.6Å; E194-R231 IonicContact OE2-NH1 2.68Å; E194-R231 IonicContact OE2-NH2 2.66Å; E194-R231 PolarHBondContact OE2-NH2 3.11Å
195N92.6Very high93.9Very high32 Ų3262.3 Ų62.317%0.17135%0.347CS..PPolyproline II helixtrans-86.8148.3174.6-175.6-66.8000110.6I62 V193 E197 W198 R231I62-N195 HydrophobicContact CB-CB 4.38Å; I62-N195 PolarHBondContact O-ND2 3.06Å; V193-N195 PolarHBondContact O-N 2.84Å; N195-E197 PolarHBondContact OD1-N 3.31Å; N195-W198 HydrophobicContact CB-CB 4.39Å; N195-W198 WeakPolarHBondContact CB-O 3.46Å; N195-W198 PolarHBondContact OD1-N 3.34Å; N195-R231 PolarHBondContact O-NE 3.46Å; N195-R231 VanDerWaalsContact O-NE 3.13Å; N195-R231 PolarHBondContact O-NH2 2.91Å
196V90.3Very high94.1Very high135 Ų13558.8 Ų58.882%0.81833%0.331SS*.SBendtrans-75.5-27.4-175.7-1790000112.1R231V196-R231 WeakPolarHBondContact O-CD 3.48Å
197E90.6Very high94.1Very high63 Ų6359.3 Ų59.329%0.29433%0.326SS..SBendtrans-103.9-31.3-180-168.2-171.9134.300112.6N195 R230 R231 Y235N195-E197 PolarHBondContact OD1-N 3.31Å; E197-R230 HydrophobicContact CG-CG 4.42Å; E197-R230 IonicContact OE1-CZ 3.39Å; E197-R230 IonicContact OE1-NH1 3.45Å; E197-R230 PolarHBondContact OE1-NH1 3.43Å; E197-R231 WeakPolarHBondContact O-CB 3.4Å; E197-R231 WeakPolarHBondContact O-CG 3.47Å; E197-R231 PolarHBondContact O-N 3.3Å; E197-Y235 HydrophobicContact CG-CE2 4.38Å; E197-Y235 PolarHBondContact OE1-OH 2.66Å; E197-Y235 PolarHBondContact OE2-OH 2.88Å
198W93.5Very high94.2Very high5 Ų562.1 Ų62.12%0.01934%0.341CS..EExtended strand (participates in β ladder)trans-119.6129-173.5-65.794.5000113.1I62 M65 Q162 N195 L228 R230I62-W198 HydrophobicContact CD1-CB 4.17Å; M65-W198 HydrophobicContact CB-CZ2 4.2Å; M65-W198 HydrophobicContact CG-CZ2 3.96Å; Q162-W198 HydrophobicContact CB-CZ3 4.49Å; Q162-W198 HydrophobicContact CG-CH2 3.7Å; Q162-W198 HydrophobicContact CG-CZ3 3.79Å; N195-W198 HydrophobicContact CB-CB 4.39Å; N195-W198 WeakPolarHBondContact CB-O 3.46Å; N195-W198 PolarHBondContact OD1-N 3.34Å; W198-L228 HydrophobicContact CE3-CB 3.82Å; W198-L228 HydrophobicContact CZ3-CB 4.21Å; W198-R230 HydrophobicContact CE3-CB 4.22Å; W198-R230 HydrophobicContact CH2-CB 4.19Å; W198-R230 HydrophobicContact CH2-CG 4.49Å; W198-R230 VanDerWaalsContact CZ2-CZ 3.42Å; W198-R230 HydrophobicContact CZ3-CB 3.89Å
199E94.3Very high94.2Very high75 Ų7565.4 Ų65.435%0.3536%0.361SS..EExtended strand (participates in β ladder)trans-93.4127.5167.9-72.7172.5-166.300109.2L228 Q229 R231E199-L228 CarbonylContact O-C 3.49Å; E199-L228 WeakPolarHBondContact O-CA 3.19Å; E199-Q229 PolarHBondContact N-O 2.88Å; E199-Q229 PolarHBondContact O-N 3.15Å; E199-R231 HydrophobicContact CG-CG 3.82Å; E199-R231 VanDerWaalsContact CG-CZ 3.42Å; E199-R231 WeakPolarHBondContact OE1-CD 3.16Å; E199-R231 WeakPolarHBondContact OE1-CG 3.46Å; E199-R231 IonicContact OE1-CZ 2.84Å; E199-R231 IonicContact OE1-NE 2.77Å; E199-R231 IonicContact OE1-NH1 2.72Å; E199-R231 PolarHBondContact OE1-NH1 2.87Å
200C95.2Very high94Very high28 Ų2865.6 Ų65.619%0.18936%0.362CS..EExtended strand (participates in β ladder)trans-95.1117.8174.5-172.70000109.3I62 F192 L227 L228I62-C200 HydrophobicContact CD1-CB 4.36Å; F192-C200 HydrophobicContact CE1-CB 3.77Å; F192-C200 HydrophobicContact CE2-CB 4.33Å; F192-C200 HydrophobicContact CZ-CB 3.63Å; C200-L227 WeakPolarHBondContact CA-O 3.31Å; C200-L228 HydrophobicContact CB-CD2 4.2Å
201H94.1Very high94Very high120 Ų12066.5 Ų66.556%0.55636%0.356SS*.EExtended strand (participates in β ladder)trans-87.4-21.4178.7-77.4-88.4000113.1L227 Q229H201-L227 HydrophobicContact CB-CB 4.23Å; H201-L227 PolarHBondContact N-O 2.84Å; H201-Q229 PolarHBondContact NE2-OE1 2.9Å
202G95.2Very high93.9Very high12 Ų1264.9 Ų64.912%0.12434%0.343CS..EExtended strand (participates in β ladder)trans168.1167.4-179.300000113L227G202-L227 PolarHBondContact O-N 3.35Å
203M96.7Very high93.5Very high2 Ų267.2 Ų67.21%0.0138%0.379CS..  trans-135.463.7172.6-169165.37400110.9I57 L59 S186 G187 L189 Y224 T225 V226I57-M203 HydrophobicContact CB-CE 4.3Å; I57-M203 HydrophobicContact CG2-CE 3.8Å; L59-M203 HydrophobicContact CB-CE 3.66Å; L59-M203 HydrophobicContact CB-SD 3.97Å; L59-M203 HydrophobicContact CD2-SD 4.2Å; S186-M203 WeakPolarHBondContact CA-O 3.37Å; G187-M203 PolarHBondContact N-O 2.88Å; L189-M203 HydrophobicContact CD2-CB 4.37Å; M203-Y224 HydrophobicContact CE-CD1 4.37Å; M203-Y224 HydrophobicContact CG-CD1 4.33Å; M203-T225 WeakPolarHBondContact CA-O 3.48Å; M203-V226 HydrophobicContact CG-CG2 4.2Å; M203-V226 HydrophobicContact SD-CG2 3.83Å
204P97.4Very high93Very high55 Ų5568.5 Ų68.536%0.35739%0.391SS..BIsolated β-bridgetrans-54.1145.2175.823.3-35.7000112.5Y224 T225 L227P204-Y224 WeakPolarHBondContact O-CA 3.3Å; P204-T225 VanDerWaalsContact CD-O 3.28Å; P204-T225 WeakPolarHBondContact CD-O 3.48Å; P204-T225 PolarHBondContact O-N 3.01Å; P204-L227 HydrophobicContact CG-CD1 4.19Å
205A97.3Very high92.6Very high12 Ų1264.1 Ų64.110%0.09938%0.375CS..EExtended strand (participates in β ladder)trans-110.3143.9178.900000111M182 D185 I222 Y224M182-A205 HydrophobicContact SD-CB 4.03Å; D185-A205 PolarHBondContact O-N 2.88Å; A205-I222 HydrophobicContact CB-CG2 4.48Å; A205-Y224 HydrophobicContact CB-CD1 3.7Å; A205-Y224 HydrophobicContact CB-CE1 3.59Å; A205-Y224 HydrophobicContact CB-CG 4.38Å
206T96.8Very high92.3Very high65 Ų6567.9 Ų67.940%0.39940%0.404SS..EExtended strand (participates in β ladder)trans-136.6126.5175.753.40000110.2I222 T223T206-I222 CarbonylContact O-C 3.58Å; T206-I222 WeakPolarHBondContact O-CA 3.4Å; T206-T223 PolarHBondContact N-O 3.03Å; T206-T223 PolarHBondContact O-N 3.37Å; T206-T223 PolarHBondContact OG1-O 2.91Å; T206-T223 VanDerWaalsContact OG1-O 3.11Å
207K96.1Very high92.3Very high68 Ų6864.5 Ų64.530%0.29638%0.382SS..EExtended strand (participates in β ladder)trans-87.4119.6169.9178.9172.8177.2167.50109.3D179 I180 M182 D221 I222D179-K207 IonicContact OD1-NZ 3.34Å; D179-K207 PolarHBondContact OD1-NZ 2.94Å; D179-K207 IonicContact OD2-NZ 3.87Å; D179-K207 PolarHBondContact OD2-NZ 3.35Å; I180-K207 WeakPolarHBondContact O-CD 3.33Å; I180-K207 VanDerWaalsContact O-CE 3.23Å; I180-K207 WeakPolarHBondContact O-CE 3.4Å; I180-K207 PolarHBondContact O-NZ 2.86Å; M182-K207 HydrophobicContact CE-CB 4.05Å; M182-K207 HydrophobicContact CG-CB 4.15Å; M182-K207 HydrophobicContact SD-CB 3.89Å; M182-K207 PolarHBondContact SD-N 3.1Å; M182-K207 VanDerWaalsContact SD-N 3.37Å; K207-D221 CarbonylContact C-O 3.49Å; K207-D221 WeakPolarHBondContact CA-O 3.48Å; K207-I222 HydrophobicContact CB-CG1 4.35Å; K207-I222 HydrophobicContact CG-CG1 4.47Å
208N95.2Very high92.5Very high62 Ų6263.1 Ų63.133%0.33238%0.378SS..EExtended strand (participates in β ladder)trans-105.1164.5172-51.1-64.7000109.9I210 P220 D221 T223N208-I210 HydrophobicContact CB-CG1 4.36Å; N208-P220 WeakPolarHBondContact O-CA 3.4Å; N208-D221 WeakPolarHBondContact CB-OD1 3.43Å; N208-D221 PolarHBondContact N-O 2.88Å; N208-D221 PolarHBondContact ND2-OD2 2.94Å; N208-D221 PolarHBondContact O-N 3.24Å; N208-D221 VanDerWaalsContact O-N 3.12Å; N208-T223 PolarHBondContact ND2-OG1 2.92Å
209V94.1Very high92.5Very high94 Ų9464.5 Ų64.557%0.5738%0.383SS*.EExtended strand (participates in β ladder)trans-139.7104.5175.7-178.60000107.2P218V209-P218 HydrophobicContact CG1-CB 3.62Å
210I90.8Very high92.6Very high62 Ų6261.1 Ų61.132%0.31837%0.368SS..EExtended strand (participates in β ladder)trans-108135-167.9-60.2176.6000110.3N208 Y212 Y219 D221N208-I210 HydrophobicContact CB-CG1 4.36Å; I210-Y212 HydrophobicContact CB-CE2 4.29Å; I210-Y212 HydrophobicContact CG2-CD1 3.96Å; I210-Y212 HydrophobicContact CG2-CD2 4.35Å; I210-Y212 HydrophobicContact CG2-CE1 3.75Å; I210-Y212 HydrophobicContact CG2-CE2 4.17Å; I210-Y212 HydrophobicContact CG2-CG 4.25Å; I210-Y219 PolarHBondContact N-O 2.78Å; I210-Y219 PolarHBondContact O-N 2.9Å; I210-D221 VanDerWaalsContact CD1-OD1 3.23Å; I210-D221 WeakPolarHBondContact CD1-OD1 3.46Å; I210-D221 WeakPolarHBondContact CG1-OD1 3.43Å
211M91.5Very high92.6Very high122 Ų12259.9 Ų59.960%0.60136%0.36SS*.EExtended strand (participates in β ladder)trans-95.6101.8167.6-78.2-71.2-160.500108.9P218M211-P218 HydrophobicContact CE-CB 4.2Å; M211-P218 HydrophobicContact CE-CG 4.41Å; M211-P218 HydrophobicContact SD-CB 4.26Å
212Y87.8Confident92.7Very high76 Ų7654.2 Ų54.230%0.29833%0.333SS..  trans-78.2137.1177.6-67-71.4000111.5Y115 I210 C214 C215 Y219Y115-Y212 VanDerWaalsContact CE2-OH 3.23Å; Y115-Y212 WeakPolarHBondContact CE2-OH 3.26Å; I210-Y212 HydrophobicContact CB-CE2 4.29Å; I210-Y212 HydrophobicContact CG2-CD1 3.96Å; I210-Y212 HydrophobicContact CG2-CD2 4.35Å; I210-Y212 HydrophobicContact CG2-CE1 3.75Å; I210-Y212 HydrophobicContact CG2-CE2 4.17Å; I210-Y212 HydrophobicContact CG2-CG 4.25Å; Y212-C214 PolarHBondContact O-N 2.72Å; Y212-C215 PolarHBondContact O-N 3Å; Y212-Y219 AromaticContact CD2-CD2 3.89Å; Y212-Y219 HydrophobicContact CD2-CD2 3.89Å; Y212-Y219 AromaticContact CD2-CG 3.98Å; Y212-Y219 HydrophobicContact CD2-CG 3.98Å; Y212-Y219 HydrophobicContact CE2-CD2 4.48Å; Y212-Y219 HydrophobicContact CE2-CG 4.13Å
213G86.2Confident92.8Very high94 Ų9454.2 Ų54.297%0.96933%0.331SS*.THydrogen-bonded Turntrans-64-2.4-176.800000116.6
214C84.3Confident92.9Very high113 Ų11354.2 Ų54.276%0.76433%0.331SS*.THydrogen-bonded Turntrans-89.5-19.417151.70000113.9Y212Y212-C214 PolarHBondContact O-N 2.72Å
215C84.3Confident92.9Very high51 Ų5152.8 Ų52.835%0.34532%0.321SS..  trans-129.2164.2-171.6-67.50000111.2Y212 Y219Y212-C215 PolarHBondContact O-N 3Å; C215-Y219 HydrophobicContact CB-CE2 3.79Å
216S86.7Confident92.8Very high112 Ų11252.2 Ų52.278%0.78332%0.317SS*.SBendtrans-105.9-1.4174.7-59.60000113.6
217D91.3Very high92.8Very high64 Ų6451.6 Ų51.634%0.34231%0.31SS..SBendtrans-104.6150.1-178.9-64.2-62.4000111.7N174 Y219N174-D217 HydrophobicContact CB-CB 3.79Å; N174-D217 WeakPolarHBondContact ND2-CB 3.37Å; N174-D217 PolarHBondContact ND2-OD2 3.33Å; D217-Y219 VanDerWaalsContact O-CD2 3.3Å; D217-Y219 WeakPolarHBondContact O-CD2 3.49Å; D217-Y219 WeakPolarHBondContact O-CE2 3.44Å
218P93.6Very high92.8Very high34 Ų3448.5 Ų48.522%0.22130%0.297CS..EExtended strand (participates in β ladder)trans-76139.417531.1-33.5000111.8G175 V209 M211G175-P218 PolarHBondContact N-O 3.45Å; V209-P218 HydrophobicContact CG1-CB 3.62Å; M211-P218 HydrophobicContact CE-CB 4.2Å; M211-P218 HydrophobicContact CE-CG 4.41Å; M211-P218 HydrophobicContact SD-CB 4.26Å
219Y94.2Very high92.8Very high33 Ų3348.9 Ų48.913%0.12930%0.297CS..EExtended strand (participates in β ladder)trans-112.1121.1173.6-73.5-100.8000109.3Y173 N174 I210 Y212 C215 D217Y173-Y219 WeakPolarHBondContact O-CD1 3.41Å; Y173-Y219 WeakPolarHBondContact O-CE1 3.23Å; N174-Y219 HydrophobicContact CB-CE1 4.15Å; N174-Y219 HydrophobicContact CB-CE2 4.21Å; I210-Y219 PolarHBondContact N-O 2.78Å; I210-Y219 PolarHBondContact O-N 2.9Å; Y212-Y219 AromaticContact CD2-CD2 3.89Å; Y212-Y219 HydrophobicContact CD2-CD2 3.89Å; Y212-Y219 AromaticContact CD2-CG 3.98Å; Y212-Y219 HydrophobicContact CD2-CG 3.98Å; Y212-Y219 HydrophobicContact CE2-CD2 4.48Å; Y212-Y219 HydrophobicContact CE2-CG 4.13Å; C215-Y219 HydrophobicContact CB-CE2 3.79Å; D217-Y219 VanDerWaalsContact O-CD2 3.3Å; D217-Y219 WeakPolarHBondContact O-CD2 3.49Å; D217-Y219 WeakPolarHBondContact O-CE2 3.44Å
220P95.4Very high92.7Very high5 Ų544.8 Ų44.83%0.03227%0.271CS..EExtended strand (participates in β ladder)trans-82.6135.7174.431.8-31.5000110.7G175 I180 N208G175-P220 VanDerWaalsContact CA-CD 3.46Å; I180-P220 WeakPolarHBondContact CD1-O 3.5Å; I180-P220 HydrophobicContact CG1-CG 4.4Å; N208-P220 WeakPolarHBondContact O-CA 3.4Å
221D95.8Very high92.8Very high2 Ų245.1 Ų45.11%0.01127%0.269CS..EExtended strand (participates in β ladder)trans-133.7156.417466.1-78.8000110.5Y115 T167 F168 K207 N208 I210Y115-D221 HydrophobicContact CE2-CB 3.99Å; T167-D221 HydrophobicContact CG2-CB 3.94Å; T167-D221 WeakPolarHBondContact CG2-OD2 3.5Å; F168-D221 CarbonylContact O-C 3.43Å; F168-D221 WeakPolarHBondContact O-CA 3.44Å; K207-D221 CarbonylContact C-O 3.49Å; K207-D221 WeakPolarHBondContact CA-O 3.48Å; N208-D221 WeakPolarHBondContact CB-OD1 3.43Å; N208-D221 PolarHBondContact N-O 2.88Å; N208-D221 PolarHBondContact ND2-OD2 2.94Å; N208-D221 PolarHBondContact O-N 3.24Å; N208-D221 VanDerWaalsContact O-N 3.12Å; I210-D221 VanDerWaalsContact CD1-OD1 3.23Å; I210-D221 WeakPolarHBondContact CD1-OD1 3.46Å; I210-D221 WeakPolarHBondContact CG1-OD1 3.43Å
222I97.1Very high92.7Very high0 Ų040.3 Ų40.30%025%0.247CC..EExtended strand (participates in β ladder)trans-121.5115.6174.6-59.6170.3000108.3L55 F168 I180 M182 A205 T206 K207 Y224L55-I222 HydrophobicContact CB-CD1 4.15Å; L55-I222 HydrophobicContact CD2-CD1 4.25Å; F168-I222 PolarHBondContact N-O 3.01Å; F168-I222 PolarHBondContact O-N 3.46Å; I180-I222 HydrophobicContact CB-CD1 4.2Å; I180-I222 HydrophobicContact CG2-CD1 3.53Å; I180-I222 HydrophobicContact CG2-CG1 4.31Å; M182-I222 HydrophobicContact CB-CD1 4.47Å; M182-I222 HydrophobicContact CG-CD1 3.7Å; M182-I222 HydrophobicContact CG-CG1 3.99Å; M182-I222 HydrophobicContact CG-CG2 3.92Å; M182-I222 HydrophobicContact SD-CG2 4.32Å; A205-I222 HydrophobicContact CB-CG2 4.48Å; T206-I222 CarbonylContact O-C 3.58Å; T206-I222 WeakPolarHBondContact O-CA 3.4Å; K207-I222 HydrophobicContact CB-CG1 4.35Å; K207-I222 HydrophobicContact CG-CG1 4.47Å; I222-Y224 HydrophobicContact CB-CE2 4.31Å; I222-Y224 HydrophobicContact CG2-CD2 3.92Å; I222-Y224 HydrophobicContact CG2-CE2 3.44Å; I222-Y224 VanDerWaalsContact CG2-CE2 3.44Å
223T97.2Very high92.7Very high13 Ų1340.1 Ų40.18%0.0826%0.257CS..EExtended strand (participates in β ladder)trans-96.4117.7173.4-62.90000109.8N165 T167 T206 N208N165-T223 HydrophobicContact CB-CG2 3.79Å; T167-T223 WeakPolarHBondContact CG2-OG1 3.3Å; T167-T223 PolarHBondContact OG1-OG1 3.13Å; T206-T223 PolarHBondContact N-O 3.03Å; T206-T223 PolarHBondContact O-N 3.37Å; T206-T223 PolarHBondContact OG1-O 2.91Å; T206-T223 VanDerWaalsContact OG1-O 3.11Å; N208-T223 PolarHBondContact ND2-OG1 2.92Å
224Y97.5Very high92.8Very high1 Ų141.9 Ų41.90%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-94.4124.2166.8-67.1-97.3000108.7L55 I57 N165 L166 F168 M203 P204 A205 I222L55-Y224 HydrophobicContact CD2-CE2 4.21Å; L55-Y224 PolarHBondContact O-OH 2.89Å; I57-Y224 HydrophobicContact CB-CD1 4.38Å; I57-Y224 HydrophobicContact CB-CD2 4.49Å; I57-Y224 HydrophobicContact CB-CE1 4.02Å; I57-Y224 HydrophobicContact CB-CE2 4.16Å; I57-Y224 HydrophobicContact CG1-CD2 3.86Å; I57-Y224 HydrophobicContact CG1-CE1 4.15Å; I57-Y224 HydrophobicContact CG1-CE2 3.37Å; I57-Y224 HydrophobicContact CG1-CG 4.44Å; N165-Y224 CarbonylContact C-O 3.53Å; L166-Y224 PolarHBondContact N-O 2.92Å; L166-Y224 PolarHBondContact O-N 2.89Å; F168-Y224 HydrophobicContact CD2-CD2 4.1Å; F168-Y224 HydrophobicContact CD2-CE2 4.41Å; F168-Y224 HydrophobicContact CE2-CD2 4.42Å; M203-Y224 HydrophobicContact CE-CD1 4.37Å; M203-Y224 HydrophobicContact CG-CD1 4.33Å; P204-Y224 WeakPolarHBondContact O-CA 3.3Å; A205-Y224 HydrophobicContact CB-CD1 3.7Å; A205-Y224 HydrophobicContact CB-CE1 3.59Å; A205-Y224 HydrophobicContact CB-CG 4.38Å; I222-Y224 HydrophobicContact CB-CE2 4.31Å; I222-Y224 HydrophobicContact CG2-CD2 3.92Å; I222-Y224 HydrophobicContact CG2-CE2 3.44Å; I222-Y224 VanDerWaalsContact CG2-CE2 3.44Å
225T97.2Very high92.9Very high25 Ų2538.1 Ų38.115%0.15321%0.208CC..EExtended strand (participates in β ladder)trans-103.4108.5-179.6-57.10000109.5E163 N165 M203 P204 L227E163-T225 HydrophobicContact CB-CG2 4.12Å; N165-T225 WeakPolarHBondContact OD1-CB 3.38Å; N165-T225 WeakPolarHBondContact OD1-CG2 3.2Å; N165-T225 PolarHBondContact OD1-OG1 2.77Å; M203-T225 WeakPolarHBondContact CA-O 3.48Å; P204-T225 VanDerWaalsContact CD-O 3.28Å; P204-T225 WeakPolarHBondContact CD-O 3.48Å; P204-T225 PolarHBondContact O-N 3.01Å; T225-L227 HydrophobicContact CG2-CD2 3.92Å; T225-L227 PolarHBondContact O-N 2.89Å
226V96.8Very high93.1Very high1 Ų138.3 Ų38.31%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-78.1117.5176.9-163.50000109.3L59 L72 C164 L166 M203 L228L59-V226 HydrophobicContact CD2-CG1 4.02Å; L72-V226 HydrophobicContact CD2-CB 4.48Å; L72-V226 HydrophobicContact CD2-CG2 4.2Å; C164-V226 HydrophobicContact CB-CB 4.47Å; C164-V226 PolarHBondContact N-O 3.44Å; C164-V226 PolarHBondContact O-N 2.67Å; L166-V226 HydrophobicContact CD1-CG2 3.71Å; L166-V226 HydrophobicContact CG-CG2 4.25Å; M203-V226 HydrophobicContact CG-CG2 4.2Å; M203-V226 HydrophobicContact SD-CG2 3.83Å; V226-L228 HydrophobicContact CG1-CD1 4.37Å; V226-L228 HydrophobicContact CG1-CD2 3.63Å; V226-L228 HydrophobicContact CG1-CG 3.92Å
227L96.5Very high93.1Very high51 Ų5139.3 Ų39.327%0.26720%0.195SC..EExtended strand (participates in β ladder)trans-96110.8-179.3-57.6177.4000110E163 C200 H201 G202 P204 T225E163-L227 HydrophobicContact CB-CD2 4.4Å; E163-L227 HydrophobicContact CG-CD2 3.81Å; C200-L227 WeakPolarHBondContact CA-O 3.31Å; H201-L227 HydrophobicContact CB-CB 4.23Å; H201-L227 PolarHBondContact N-O 2.84Å; G202-L227 PolarHBondContact O-N 3.35Å; P204-L227 HydrophobicContact CG-CD1 4.19Å; T225-L227 HydrophobicContact CG2-CD2 3.92Å; T225-L227 PolarHBondContact O-N 2.89Å
228L95.7Very high92.9Very high3 Ų340.6 Ų40.62%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-118.9142-170.9-59.8179.5000112I62 M65 L72 S161 Q162 W198 E199 C200 V226I62-L228 HydrophobicContact CD1-CD2 3.38Å; I62-L228 HydrophobicContact CG1-CD2 4.32Å; M65-L228 HydrophobicContact CE-CD1 3.35Å; L72-L228 HydrophobicContact CD1-CD1 4.41Å; S161-L228 CarbonylContact C-O 3.57Å; S161-L228 WeakPolarHBondContact CA-O 3.41Å; S161-L228 WeakPolarHBondContact CB-O 3.37Å; Q162-L228 HydrophobicContact CB-CB 4.46Å; Q162-L228 PolarHBondContact N-O 3.08Å; Q162-L228 PolarHBondContact O-N 3.03Å; W198-L228 HydrophobicContact CE3-CB 3.82Å; W198-L228 HydrophobicContact CZ3-CB 4.21Å; E199-L228 CarbonylContact O-C 3.49Å; E199-L228 WeakPolarHBondContact O-CA 3.19Å; C200-L228 HydrophobicContact CB-CD2 4.2Å; V226-L228 HydrophobicContact CG1-CD1 4.37Å; V226-L228 HydrophobicContact CG1-CD2 3.63Å; V226-L228 HydrophobicContact CG1-CG 3.92Å
229Q94.3Very high92.5Very high71 Ų7140.2 Ų40.233%0.33220%0.198SC..EExtended strand (participates in β ladder)trans-129.6137.8171.7-176.2172.118.900110.8E199 H201E199-Q229 PolarHBondContact N-O 2.88Å; E199-Q229 PolarHBondContact O-N 3.15Å; H201-Q229 PolarHBondContact NE2-OE1 2.9Å
230R93Very high92Very high8 Ų839.1 Ų39.13%0.0320%0.195CC..EExtended strand (participates in β ladder)trans-81.6133.2-177.6-164.8-173.3-59.6-94.44.5112.7E67 D160 E197 W198 S232 Y235E67-R230 IonicContact OE1-CZ 2.73Å; E67-R230 IonicContact OE1-NH1 2.7Å; E67-R230 PolarHBondContact OE1-NH1 3.03Å; E67-R230 IonicContact OE1-NH2 3.1Å; E67-R230 PolarHBondContact OE1-NH2 3.2Å; D160-R230 PolarHBondContact O-N 3Å; D160-R230 VanDerWaalsContact O-N 3.11Å; D160-R230 IonicContact OD1-CZ 2.71Å; D160-R230 IonicContact OD1-NE 3.17Å; D160-R230 PolarHBondContact OD1-NE 2.78Å; D160-R230 IonicContact OD1-NH2 2.66Å; D160-R230 IonicContact OD2-CZ 2.62Å; D160-R230 IonicContact OD2-NE 2.77Å; D160-R230 PolarHBondContact OD2-NE 3.42Å; D160-R230 VanDerWaalsContact OD2-NE 3.13Å; D160-R230 IonicContact OD2-NH2 2.74Å; D160-R230 PolarHBondContact OD2-NH2 3.37Å; E197-R230 HydrophobicContact CG-CG 4.42Å; E197-R230 IonicContact OE1-CZ 3.39Å; E197-R230 IonicContact OE1-NH1 3.45Å; E197-R230 PolarHBondContact OE1-NH1 3.43Å; W198-R230 HydrophobicContact CE3-CB 4.22Å; W198-R230 HydrophobicContact CH2-CB 4.19Å; W198-R230 HydrophobicContact CH2-CG 4.49Å; W198-R230 VanDerWaalsContact CZ2-CZ 3.42Å; W198-R230 HydrophobicContact CZ3-CB 3.89Å; R230-S232 PolarHBondContact O-N 3.34Å; R230-Y235 HydrophobicContact CG-CE2 4.13Å; R230-Y235 PolarHBondContact NH1-OH 2.99Å
231R92.1Very high91.6Very high68 Ų6842.7 Ų42.726%0.25721%0.213SC..  trans-74.873.5170.2-58-156.4-154.4-122.518.5111E194 N195 V196 E197 E199 S233E194-R231 IonicContact OE2-CZ 3.6Å; E194-R231 IonicContact OE2-NH1 2.68Å; E194-R231 IonicContact OE2-NH2 2.66Å; E194-R231 PolarHBondContact OE2-NH2 3.11Å; N195-R231 PolarHBondContact O-NE 3.46Å; N195-R231 VanDerWaalsContact O-NE 3.13Å; N195-R231 PolarHBondContact O-NH2 2.91Å; V196-R231 WeakPolarHBondContact O-CD 3.48Å; E197-R231 WeakPolarHBondContact O-CB 3.4Å; E197-R231 WeakPolarHBondContact O-CG 3.47Å; E197-R231 PolarHBondContact O-N 3.3Å; E199-R231 HydrophobicContact CG-CG 3.82Å; E199-R231 VanDerWaalsContact CG-CZ 3.42Å; E199-R231 WeakPolarHBondContact OE1-CD 3.16Å; E199-R231 WeakPolarHBondContact OE1-CG 3.46Å; E199-R231 IonicContact OE1-CZ 2.84Å; E199-R231 IonicContact OE1-NE 2.77Å; E199-R231 IonicContact OE1-NH1 2.72Å; E199-R231 PolarHBondContact OE1-NH1 2.87Å; R231-S233 PolarHBondContact O-N 2.69Å
232S89.2Confident91.2Very high21 Ų2144.1 Ų44.115%0.14722%0.223CC..THydrogen-bonded Turntrans-44.2-28.9-174.861.40000117.2P158 F159 R230 F234 Y235 I236P158-S232 WeakPolarHBondContact O-CB 3.21Å; F159-S232 VanDerWaalsContact CE1-OG 3.31Å; F159-S232 WeakPolarHBondContact CE1-OG 3.16Å; R230-S232 PolarHBondContact O-N 3.34Å; S232-F234 VanDerWaalsContact C-N 3.3Å; S232-F234 PolarHBondContact O-N 3.1Å; S232-F234 VanDerWaalsContact O-N 3.11Å; S232-Y235 PolarHBondContact O-N 3.02Å; S232-I236 WeakPolarHBondContact O-CG1 3.49Å; S232-I236 PolarHBondContact O-N 3.08Å; S232-I236 VanDerWaalsContact O-N 3.08Å
233S87.5Confident90.6Very high72 Ų7244.2 Ų44.250%0.50322%0.223SC..Hα-helixtrans-45-43.7-175-62.40000115.2R231 Y235 I236 F237R231-S233 PolarHBondContact O-N 2.69Å; S233-Y235 PolarHBondContact O-N 3.26Å; S233-I236 PolarHBondContact O-N 3.25Å; S233-F237 WeakPolarHBondContact O-CD2 3.44Å; S233-F237 PolarHBondContact O-N 3.36Å
234F88.9Confident90.1Very high131 Ų13144.7 Ų44.758%0.57522%0.224SC*.Hα-helixtrans-59.7-46.8180176.6-93.4000111.8S232 F237 N238S232-F234 VanDerWaalsContact C-N 3.3Å; S232-F234 PolarHBondContact O-N 3.1Å; S232-F234 VanDerWaalsContact O-N 3.11Å; F234-F237 PolarHBondContact O-N 3.02Å; F234-N238 VanDerWaalsContact CD2-ND2 3.26Å; F234-N238 WeakPolarHBondContact CD2-ND2 3.41Å; F234-N238 WeakPolarHBondContact CE2-ND2 3.26Å; F234-N238 WeakPolarHBondContact CZ-ND2 3.42Å; F234-N238 WeakPolarHBondContact O-CB 3.38Å; F234-N238 PolarHBondContact O-N 2.95Å; F234-N238 PolarHBondContact O-ND2 3.38Å
235Y87.6Confident89.7Confident34 Ų3449.8 Ų49.813%0.13325%0.251CS..Hα-helixtrans-71.7-32.1179.7-51.8-87.7000111.9F157 P158 E197 R230 S232 S233 F237 L239 L240F157-Y235 HydrophobicContact CE1-CD1 4.13Å; F157-Y235 HydrophobicContact CE1-CG 4.42Å; F157-Y235 HydrophobicContact CE2-CD1 4.45Å; F157-Y235 HydrophobicContact CE2-CE1 4.29Å; F157-Y235 AromaticContact CZ-CD1 3.52Å; F157-Y235 HydrophobicContact CZ-CD1 3.52Å; F157-Y235 AromaticContact CZ-CE1 3.7Å; F157-Y235 HydrophobicContact CZ-CE1 3.7Å; F157-Y235 HydrophobicContact CZ-CG 4.03Å; P158-Y235 HydrophobicContact CB-CD2 3.93Å; P158-Y235 HydrophobicContact CB-CG 3.92Å; E197-Y235 HydrophobicContact CG-CE2 4.38Å; E197-Y235 PolarHBondContact OE1-OH 2.66Å; E197-Y235 PolarHBondContact OE2-OH 2.88Å; R230-Y235 HydrophobicContact CG-CE2 4.13Å; R230-Y235 PolarHBondContact NH1-OH 2.99Å; S232-Y235 PolarHBondContact O-N 3.02Å; S233-Y235 PolarHBondContact O-N 3.26Å; Y235-F237 PolarHBondContact O-N 3.32Å; Y235-L239 HydrophobicContact CD1-CD1 4.41Å; Y235-L239 WeakPolarHBondContact O-CA 3.5Å; Y235-L239 VanDerWaalsContact O-CB 3.26Å; Y235-L239 WeakPolarHBondContact O-CB 3.43Å; Y235-L239 PolarHBondContact O-N 3.08Å; Y235-L240 PolarHBondContact O-N 3.37Å
236I86.8Confident89.3Confident56 Ų5649.8 Ų49.829%0.28725%0.25SC..Iπ-helixtrans-59.5-47.3174.1-62.4169.6000110.7F159 S232 S233 L240 L241F159-I236 HydrophobicContact CE1-CD1 3.89Å; F159-I236 HydrophobicContact CZ-CD1 3.65Å; F159-I236 HydrophobicContact CZ-CG1 3.92Å; S232-I236 WeakPolarHBondContact O-CG1 3.49Å; S232-I236 PolarHBondContact O-N 3.08Å; S232-I236 VanDerWaalsContact O-N 3.08Å; S233-I236 PolarHBondContact O-N 3.25Å; I236-L240 HydrophobicContact CG1-CD1 4.38Å; I236-L240 WeakPolarHBondContact O-CB 3.47Å; I236-L241 PolarHBondContact O-N 3.5Å
237F87.6Confident88.8Confident132 Ų13249.9 Ų49.958%0.57925%0.25SS*.Iπ-helixtrans-80.6-33.8-177.7-68.8-64.7000114.3S233 F234 Y235 L241S233-F237 WeakPolarHBondContact O-CD2 3.44Å; S233-F237 PolarHBondContact O-N 3.36Å; F234-F237 PolarHBondContact O-N 3.02Å; Y235-F237 PolarHBondContact O-N 3.32Å; F237-L241 HydrophobicContact CD1-CD2 4.26Å
238N86.6Confident88.4Confident92 Ų9250.6 Ų50.649%0.49225%0.251SS..Iπ-helixtrans-98.2-19.7-173.3-64.6-33.7000114.7F234F234-N238 VanDerWaalsContact CD2-ND2 3.26Å; F234-N238 WeakPolarHBondContact CD2-ND2 3.41Å; F234-N238 WeakPolarHBondContact CE2-ND2 3.26Å; F234-N238 WeakPolarHBondContact CZ-ND2 3.42Å; F234-N238 WeakPolarHBondContact O-CB 3.38Å; F234-N238 PolarHBondContact O-N 2.95Å; F234-N238 PolarHBondContact O-ND2 3.38Å
239L84.7Confident88.1Confident25 Ų2554 Ų5413%0.13127%0.269CS..Iπ-helixtrans-118.9-51.3-174.8180167.6000111.4F157 Y235 C243 V281 I294 Y298F157-L239 HydrophobicContact CE1-CD1 4.16Å; Y235-L239 HydrophobicContact CD1-CD1 4.41Å; Y235-L239 WeakPolarHBondContact O-CA 3.5Å; Y235-L239 VanDerWaalsContact O-CB 3.26Å; Y235-L239 WeakPolarHBondContact O-CB 3.43Å; Y235-L239 PolarHBondContact O-N 3.08Å; L239-C243 WeakPolarHBondContact O-CB 3.24Å; L239-V281 HydrophobicContact CD1-CB 4.47Å; L239-V281 HydrophobicContact CD1-CG1 4.12Å; L239-V281 HydrophobicContact CD1-CG2 3.54Å; L239-V281 HydrophobicContact CD2-CG2 4.26Å; L239-V281 HydrophobicContact CG-CG2 3.64Å; L239-I294 HydrophobicContact CD2-CD1 3.81Å; L239-I294 HydrophobicContact CD2-CG1 4.01Å; L239-Y298 HydrophobicContact CD2-CE2 4.13Å; L239-Y298 WeakPolarHBondContact CD2-OH 3.17Å
240L84.5Confident87.6Confident11 Ų1151.2 Ų51.26%0.05826%0.258CS..Iπ-helixtrans-73.3-49.9-179.9-81.2170.5000113Y235 I236 C243 F244 I294 V551Y235-L240 PolarHBondContact O-N 3.37Å; I236-L240 HydrophobicContact CG1-CD1 4.38Å; I236-L240 WeakPolarHBondContact O-CB 3.47Å; L240-C243 WeakPolarHBondContact O-CB 3.41Å; L240-C243 PolarHBondContact O-N 3.2Å; L240-C243 VanDerWaalsContact O-N 3.12Å; L240-F244 HydrophobicContact CB-CD2 4.41Å; L240-F244 HydrophobicContact CB-CE2 3.96Å; L240-F244 HydrophobicContact CD2-CE2 4.21Å; L240-F244 HydrophobicContact CD2-CZ 4.09Å; L240-F244 VanDerWaalsContact O-CD2 3.28Å; L240-F244 WeakPolarHBondContact O-CD2 3.34Å; L240-F244 PolarHBondContact O-N 3.17Å; L240-I294 HydrophobicContact CD2-CD1 3.6Å; L240-I294 HydrophobicContact CG-CD1 4.38Å; L240-V551 HydrophobicContact CD2-CG1 4.05Å
241L86.4Confident87.3Confident79 Ų7951 Ų5141%0.41426%0.258SS..Hα-helixtrans-58.6-46.3-176.3175.863.8000113.6I236 F237 C243 F244 L245I236-L241 PolarHBondContact O-N 3.5Å; F237-L241 HydrophobicContact CD1-CD2 4.26Å; L241-C243 VanDerWaalsContact C-N 3.31Å; L241-C243 PolarHBondContact O-N 2.93Å; L241-F244 PolarHBondContact O-N 2.93Å; L241-L245 HydrophobicContact CD1-CD1 4.28Å; L241-L245 HydrophobicContact CD1-CG 4.3Å; L241-L245 HydrophobicContact CG-CD1 4.27Å; L241-L245 WeakPolarHBondContact O-CG 3.36Å; L241-L245 PolarHBondContact O-N 3.33Å
242P88.3Confident87.1Confident33 Ų3352.4 Ų52.421%0.21427%0.27CS..Hα-helixtrans-61.9-38.1174.4-24.136.2000112.5L245 I246 F277P242-L245 PolarHBondContact O-N 2.77Å; P242-I246 WeakPolarHBondContact O-CB 3.24Å; P242-I246 VanDerWaalsContact O-CG1 3.27Å; P242-I246 WeakPolarHBondContact O-CG1 3.28Å; P242-I246 PolarHBondContact O-N 2.72Å; P242-F277 HydrophobicContact CB-CE1 4.44Å; P242-F277 HydrophobicContact CB-CZ 4.34Å
243C85.1Confident86.9Confident1 Ų151.7 Ų51.71%0.00727%0.266CS..Hα-helixtrans-64.5-43.1177.5-173.90000112.1L239 L240 L241 I246 S247 Y297 Y298L239-C243 WeakPolarHBondContact O-CB 3.24Å; L240-C243 WeakPolarHBondContact O-CB 3.41Å; L240-C243 PolarHBondContact O-N 3.2Å; L240-C243 VanDerWaalsContact O-N 3.12Å; L241-C243 VanDerWaalsContact C-N 3.31Å; L241-C243 PolarHBondContact O-N 2.93Å; C243-I246 PolarHBondContact O-N 2.94Å; C243-S247 WeakPolarHBondContact O-CB 3.46Å; C243-S247 PolarHBondContact O-N 3.44Å; C243-S247 PolarHBondContact O-OG 3.49Å; C243-Y297 VanDerWaalsContact SG-CE1 3.6Å; C243-Y298 HydrophobicContact CB-CE1 4.07Å; C243-Y298 WeakPolarHBondContact SG-CE1 3.48Å
244F86.4Confident86.9Confident24 Ų2448.6 Ų48.611%0.10524%0.243CC..Hα-helixtrans-60.6-47.5173.5-67.9-49.9000111.4L240 L241 I246 S247 F248 Y297 V551 I552L240-F244 HydrophobicContact CB-CD2 4.41Å; L240-F244 HydrophobicContact CB-CE2 3.96Å; L240-F244 HydrophobicContact CD2-CE2 4.21Å; L240-F244 HydrophobicContact CD2-CZ 4.09Å; L240-F244 VanDerWaalsContact O-CD2 3.28Å; L240-F244 WeakPolarHBondContact O-CD2 3.34Å; L240-F244 PolarHBondContact O-N 3.17Å; L241-F244 PolarHBondContact O-N 2.93Å; F244-I246 PolarHBondContact O-N 2.83Å; F244-S247 WeakPolarHBondContact O-CB 3.45Å; F244-S247 PolarHBondContact O-N 3.28Å; F244-S247 VanDerWaalsContact O-N 3.14Å; F244-F248 WeakPolarHBondContact O-CD2 3.43Å; F244-F248 PolarHBondContact O-N 3.34Å; F244-Y297 VanDerWaalsContact CD1-OH 3.25Å; F244-Y297 WeakPolarHBondContact CD1-OH 3.42Å; F244-Y297 HydrophobicContact CE1-CE1 4.3Å; F244-Y297 HydrophobicContact CE1-CE2 4.4Å; F244-Y297 AromaticContact CE1-CZ 3.81Å; F244-Y297 WeakPolarHBondContact CE1-OH 3.04Å; F244-V551 HydrophobicContact CE1-CB 4.37Å; F244-V551 HydrophobicContact CZ-CB 4.12Å; F244-V551 HydrophobicContact CZ-CG1 3.9Å; F244-I552 HydrophobicContact CE2-CD1 4.38Å; F244-I552 HydrophobicContact CE2-CG1 4.31Å; F244-I552 HydrophobicContact CZ-CD1 4.4Å; F244-I552 HydrophobicContact CZ-CG1 4.13Å
245L88.8Confident86.8Confident108 Ų10850.4 Ų50.457%0.56525%0.248SC*.Hα-helixtrans-58.1-46.5178.7-69.5171.2000112L241 P242 S247 F248 L249L241-L245 HydrophobicContact CD1-CD1 4.28Å; L241-L245 HydrophobicContact CD1-CG 4.3Å; L241-L245 HydrophobicContact CG-CD1 4.27Å; L241-L245 WeakPolarHBondContact O-CG 3.36Å; L241-L245 PolarHBondContact O-N 3.33Å; P242-L245 PolarHBondContact O-N 2.77Å; L245-S247 VanDerWaalsContact C-N 3.33Å; L245-S247 PolarHBondContact O-N 2.89Å; L245-F248 PolarHBondContact O-N 2.99Å; L245-L249 PolarHBondContact O-N 3.49Å
246I88.8Confident86.8Confident25 Ų2551.2 Ų51.213%0.12825%0.254CS..Hα-helixtrans-63.7-38.6176.4-68.1166.4000111.2P242 C243 F244 F248 L249 V270 A273 L274 F277P242-I246 WeakPolarHBondContact O-CB 3.24Å; P242-I246 VanDerWaalsContact O-CG1 3.27Å; P242-I246 WeakPolarHBondContact O-CG1 3.28Å; P242-I246 PolarHBondContact O-N 2.72Å; C243-I246 PolarHBondContact O-N 2.94Å; F244-I246 PolarHBondContact O-N 2.83Å; I246-F248 VanDerWaalsContact C-N 3.32Å; I246-F248 PolarHBondContact O-N 3.43Å; I246-L249 WeakPolarHBondContact O-CB 3.32Å; I246-L249 PolarHBondContact O-N 3.23Å; I246-V270 HydrophobicContact CG2-CG1 3.97Å; I246-A273 HydrophobicContact CD1-CB 4.5Å; I246-L274 HydrophobicContact CG2-CB 4.41Å; I246-F277 HydrophobicContact CD1-CD2 3.59Å; I246-F277 HydrophobicContact CD1-CE2 3.47Å; I246-F277 VanDerWaalsContact CD1-CE2 3.47Å; I246-F277 HydrophobicContact CD1-CZ 4.48Å
247S86.5Confident86.7Confident2 Ų252.1 Ų52.11%0.01426%0.263CS..Hα-helixtrans-62.9-37.4177.1-57.10000112.2C243 F244 L245 L249 A250 P251 T301C243-S247 WeakPolarHBondContact O-CB 3.46Å; C243-S247 PolarHBondContact O-N 3.44Å; C243-S247 PolarHBondContact O-OG 3.49Å; F244-S247 WeakPolarHBondContact O-CB 3.45Å; F244-S247 PolarHBondContact O-N 3.28Å; F244-S247 VanDerWaalsContact O-N 3.14Å; L245-S247 VanDerWaalsContact C-N 3.33Å; L245-S247 PolarHBondContact O-N 2.89Å; S247-L249 VanDerWaalsContact C-N 3.27Å; S247-L249 PolarHBondContact O-N 3.12Å; S247-A250 PolarHBondContact O-N 3.37Å; S247-P251 WeakPolarHBondContact O-CD 3.45Å; S247-T301 VanDerWaalsContact OG-CG2 3.28Å; S247-T301 WeakPolarHBondContact OG-CG2 3.44Å
248F88Confident86.4Confident66 Ų6646 Ų4629%0.28924%0.238SC..Hα-helixtrans-71.6-14.9174.1-75.6-67.4000114.1F244 L245 I246 F541 V544F244-F248 WeakPolarHBondContact O-CD2 3.43Å; F244-F248 PolarHBondContact O-N 3.34Å; L245-F248 PolarHBondContact O-N 2.99Å; I246-F248 VanDerWaalsContact C-N 3.32Å; I246-F248 PolarHBondContact O-N 3.43Å; F248-F541 HydrophobicContact CD1-CE2 4.26Å; F248-F541 HydrophobicContact CE1-CE2 4.22Å; F248-V544 HydrophobicContact CD1-CG1 3.8Å; F248-V544 HydrophobicContact CD2-CG1 4.46Å; F248-V544 HydrophobicContact CE1-CG1 3.71Å; F248-V544 HydrophobicContact CE2-CG1 4.37Å; F248-V544 HydrophobicContact CG-CG1 4.18Å; F248-V544 HydrophobicContact CZ-CG1 4Å
249L88.5Confident86.1Confident75 Ų7546.1 Ų46.139%0.39324%0.238SC..Hα-helixtrans-72.4-27.7170.9-58.4-178.6000112.5L245 I246 S247 L252 G253 V270L245-L249 PolarHBondContact O-N 3.49Å; I246-L249 WeakPolarHBondContact O-CB 3.32Å; I246-L249 PolarHBondContact O-N 3.23Å; S247-L249 VanDerWaalsContact C-N 3.27Å; S247-L249 PolarHBondContact O-N 3.12Å; L249-L252 HydrophobicContact CD2-CD1 4.19Å; L249-L252 WeakPolarHBondContact O-CB 3.33Å; L249-L252 PolarHBondContact O-N 2.87Å; L249-G253 PolarHBondContact O-N 3.46Å; L249-V270 HydrophobicContact CB-CG2 3.77Å; L249-V270 HydrophobicContact CD1-CG2 4.17Å
250A85.1Confident86Confident12 Ų1248 Ų4810%0.09925%0.253CS..Hα-helixtrans-66.3-42.9-176.900000113.6S247 L252 G253 V270 V305S247-A250 PolarHBondContact O-N 3.37Å; A250-L252 VanDerWaalsContact C-N 3.32Å; A250-L252 PolarHBondContact O-N 2.89Å; A250-G253 PolarHBondContact O-N 3.43Å; A250-V270 HydrophobicContact CB-CG1 4.34Å; A250-V305 HydrophobicContact CB-CG2 3.94Å
251P87Confident85.9Confident4 Ų449.7 Ų49.73%0.02627%0.273CS..Hα-helixtrans-61.9-34.5169.1-25.234.5000113.8S247 G253 F254 F540 F541 V544S247-P251 WeakPolarHBondContact O-CD 3.45Å; P251-G253 PolarHBondContact O-N 2.98Å; P251-F254 PolarHBondContact O-N 3.32Å; P251-F254 VanDerWaalsContact O-N 3.1Å; P251-F540 HydrophobicContact CG-CB 4.24Å; P251-F541 HydrophobicContact CB-CB 4.16Å; P251-F541 HydrophobicContact CG-CB 4.39Å; P251-V544 HydrophobicContact CG-CG2 4.14Å
252L86.6Confident85.9Confident98 Ų9851.3 Ų51.351%0.51328%0.279SS..Hα-helixtrans-64.9-24.3178.3-66175.2000112.7L249 A250 F254 Y255 L256L249-L252 HydrophobicContact CD2-CD1 4.19Å; L249-L252 WeakPolarHBondContact O-CB 3.33Å; L249-L252 PolarHBondContact O-N 2.87Å; A250-L252 VanDerWaalsContact C-N 3.32Å; A250-L252 PolarHBondContact O-N 2.89Å; L252-F254 PolarHBondContact O-N 3Å; L252-Y255 WeakPolarHBondContact O-CB 3.43Å; L252-Y255 PolarHBondContact O-N 3.04Å; L252-L256 PolarHBondContact O-N 2.97Å
253G86Confident85.9Confident6 Ų649.8 Ų49.86%0.06227%0.269CS..Hα-helixtrans-56.7-31.7170.600000114L249 A250 P251 K263L249-G253 PolarHBondContact O-N 3.46Å; A250-G253 PolarHBondContact O-N 3.43Å; P251-G253 PolarHBondContact O-N 2.98Å; G253-K263 WeakPolarHBondContact O-CE 3.23Å; G253-K263 VanDerWaalsContact O-CG 3.29Å; G253-K263 WeakPolarHBondContact O-CG 3.48Å
254F87.8Confident86Confident6 Ų651.8 Ų51.83%0.02628%0.281CS..Hα-helixtrans-80-18.8174.1-63.8-74.9000113.6P251 L252 S308 L311 T312 I315 D533 F536 M537 F540P251-F254 PolarHBondContact O-N 3.32Å; P251-F254 VanDerWaalsContact O-N 3.1Å; L252-F254 PolarHBondContact O-N 3Å; F254-S308 WeakPolarHBondContact CE2-OG 3.43Å; F254-S308 WeakPolarHBondContact CZ-OG 3.33Å; F254-L311 HydrophobicContact CE1-CB 4.44Å; F254-L311 HydrophobicContact CZ-CB 4.43Å; F254-T312 WeakPolarHBondContact CE1-OG1 3.28Å; F254-I315 HydrophobicContact CD1-CD1 4.06Å; F254-I315 HydrophobicContact CE1-CD1 3.86Å; F254-D533 WeakPolarHBondContact O-CB 3.48Å; F254-F536 HydrophobicContact CD1-CB 4.01Å; F254-F536 HydrophobicContact CE1-CB 3.79Å; F254-F536 HydrophobicContact CE2-CB 4.33Å; F254-F536 HydrophobicContact CG-CB 4.39Å; F254-F536 HydrophobicContact CZ-CB 3.95Å; F254-M537 HydrophobicContact CB-CB 3.73Å; F254-M537 HydrophobicContact CB-CG 4.32Å; F254-M537 HydrophobicContact CG-CB 4.49Å; F254-F540 HydrophobicContact CD2-CD2 4.23Å; F254-F540 HydrophobicContact CE2-CB 4.39Å; F254-F540 AromaticContact CE2-CD2 3.28Å; F254-F540 HydrophobicContact CE2-CD2 3.28Å; F254-F540 AromaticContact CE2-CE2 3.79Å; F254-F540 HydrophobicContact CE2-CE2 3.79Å; F254-F540 HydrophobicContact CE2-CG 4.05Å; F254-F540 AromaticContact CZ-CD2 3.67Å; F254-F540 HydrophobicContact CZ-CD2 3.67Å; F254-F540 AromaticContact CZ-CE2 3.67Å; F254-F540 HydrophobicContact CZ-CE2 3.67Å
255Y86.1Confident86.2Confident169 Ų16953.4 Ų53.466%0.66330%0.295SS*.Hα-helixtrans-80-25.8176.3-168.2-98.3000112.4L252 M537L252-Y255 WeakPolarHBondContact O-CB 3.43Å; L252-Y255 PolarHBondContact O-N 3.04Å; Y255-M537 HydrophobicContact CD2-SD 3.91Å
256L87.4Confident86.2Confident52 Ų5250.9 Ų50.927%0.27228%0.282SS..SBendtrans-70.5128.2179.2-165.376.9000111.2L252 A258 E262 K263L252-L256 PolarHBondContact O-N 2.97Å; L256-A258 PolarHBondContact O-N 2.96Å; L256-E262 HydrophobicContact CD2-CB 4.29Å; L256-K263 HydrophobicContact CB-CG 4.43Å; L256-K263 HydrophobicContact CD2-CB 4.22Å; L256-K263 WeakPolarHBondContact O-CD 3.32Å; L256-K263 WeakPolarHBondContact O-CE 3.36Å
257P85.3Confident86.2Confident74 Ų7450.3 Ų50.348%0.48128%0.282SS..  trans-66.6134.9-178.126.4-34.2000112D259 S260P257-D259 PolarHBondContact O-N 3.35Å; P257-D259 VanDerWaalsContact O-N 3.15Å; P257-S260 WeakPolarHBondContact O-CB 3.26Å; P257-S260 PolarHBondContact O-N 3.03Å
258A80.5Confident86.3Confident5 Ų554 Ų544%0.04131%0.305CS..G310 helixtrans-58.6-26.6179.900000114.2L256 S260 G261 M316 H319L256-A258 PolarHBondContact O-N 2.96Å; A258-S260 PolarHBondContact O-N 3.4Å; A258-G261 PolarHBondContact O-N 3.26Å; A258-M316 HydrophobicContact CB-SD 3.43Å; A258-M316 WeakPolarHBondContact CB-SD 3.46Å; A258-H319 HydrophobicContact CB-CB 4.13Å; A258-H319 VanDerWaalsContact CB-CG 3.5Å; A258-H319 WeakPolarHBondContact CB-ND1 3.09Å
259D80.8Confident86.5Confident94 Ų9454.6 Ų54.650%0.50331%0.314SS..G310 helixtrans-64.2-12.6173.5-57.7-66.6000113.4P257 H319 K526P257-D259 PolarHBondContact O-N 3.35Å; P257-D259 VanDerWaalsContact O-N 3.15Å; D259-H319 IonicContact OD1-CE1 3.13Å; D259-H319 PolarHBondContact OD1-CE1 3.1Å; D259-H319 VanDerWaalsContact OD1-CE1 3.26Å; D259-H319 IonicContact OD1-NE2 3.71Å; D259-H319 IonicContact OD2-NE2 3.78Å; D259-K526 IonicContact OD1-NZ 2.89Å; D259-K526 PolarHBondContact OD1-NZ 3Å
260S83Confident86.6Confident63 Ų6351.3 Ų51.344%0.44130%0.297SS..G310 helixtrans-84.2-9.9-178.8-168.50000115.3P257 A258 E262P257-S260 WeakPolarHBondContact O-CB 3.26Å; P257-S260 PolarHBondContact O-N 3.03Å; A258-S260 PolarHBondContact O-N 3.4Å; S260-E262 PolarHBondContact O-N 3.07Å
261G81.9Confident86.8Confident47 Ų4752.6 Ų52.649%0.48530%0.302SS..SBendtrans73.3-51.3-176.900000115.2A258 K263A258-G261 PolarHBondContact O-N 3.26Å; G261-K263 PolarHBondContact O-N 2.73Å
262E86.6Confident87Confident114 Ų11457.8 Ų57.853%0.53333%0.329SS..THydrogen-bonded Turntrans-62.2-4.4-172.9-64.3-52135.100116L256 S260 V264 S265 L266L256-E262 HydrophobicContact CD2-CB 4.29Å; S260-E262 PolarHBondContact O-N 3.07Å; E262-V264 VanDerWaalsContact C-N 3.31Å; E262-V264 PolarHBondContact O-N 2.94Å; E262-S265 VanDerWaalsContact O-CB 3.26Å; E262-S265 WeakPolarHBondContact O-CB 3.43Å; E262-S265 PolarHBondContact O-N 3Å; E262-S265 VanDerWaalsContact O-N 3.13Å; E262-S265 WeakPolarHBondContact OE2-CB 3.31Å; E262-S265 PolarHBondContact OE2-OG 3.45Å; E262-S265 VanDerWaalsContact OE2-OG 3.04Å; E262-L266 PolarHBondContact O-N 3.27Å
263K87.1Confident87.2Confident1 Ų154.8 Ų54.80%0.00432%0.318CS..Hα-helixtrans-58.1-39.1-177.4-161.2-175-179.2-167.90113.5G253 L256 G261 G267 T312 M316 D533G253-K263 WeakPolarHBondContact O-CE 3.23Å; G253-K263 VanDerWaalsContact O-CG 3.29Å; G253-K263 WeakPolarHBondContact O-CG 3.48Å; L256-K263 HydrophobicContact CB-CG 4.43Å; L256-K263 HydrophobicContact CD2-CB 4.22Å; L256-K263 WeakPolarHBondContact O-CD 3.32Å; L256-K263 WeakPolarHBondContact O-CE 3.36Å; G261-K263 PolarHBondContact O-N 2.73Å; K263-G267 PolarHBondContact O-N 3.5Å; K263-T312 HydrophobicContact CD-CG2 4.02Å; K263-T312 HydrophobicContact CG-CG2 3.88Å; K263-M316 HydrophobicContact CB-CE 4.2Å; K263-M316 HydrophobicContact CB-SD 4.25Å; K263-M316 HydrophobicContact CD-CG 4.39Å; K263-M316 HydrophobicContact CD-SD 3.8Å; K263-D533 IonicContact NZ-OD1 3.81Å; K263-D533 PolarHBondContact NZ-OD1 3.46Å; K263-D533 IonicContact NZ-OD2 3.65Å; K263-D533 PolarHBondContact NZ-OD2 2.86Å
264V88.1Confident87.3Confident43 Ų4354.6 Ų54.626%0.26132%0.316SS..Hα-helixtrans-78.7-36.1176.5-177.10000111.1E262 L266 G267 V268 I313 M316E262-V264 VanDerWaalsContact C-N 3.31Å; E262-V264 PolarHBondContact O-N 2.94Å; V264-L266 VanDerWaalsContact C-N 3.33Å; V264-L266 PolarHBondContact O-N 3.01Å; V264-G267 PolarHBondContact O-N 2.89Å; V264-V268 HydrophobicContact CG1-CG2 4.32Å; V264-V268 WeakPolarHBondContact O-CG2 3.46Å; V264-V268 PolarHBondContact O-N 2.99Å; V264-I313 HydrophobicContact CG1-CD1 4.4Å; V264-I313 HydrophobicContact CG1-CG1 4.06Å; V264-I313 HydrophobicContact CG2-CG1 4.3Å; V264-M316 HydrophobicContact CG2-CE 4.27Å; V264-M316 HydrophobicContact CG2-CG 4.05Å
265S89.6Confident87.4Confident57 Ų5756.8 Ų56.840%0.39933%0.33SS..Hα-helixtrans-55.8-45.9174.8-170.80000111.4E262 V268 T269E262-S265 VanDerWaalsContact O-CB 3.26Å; E262-S265 WeakPolarHBondContact O-CB 3.43Å; E262-S265 PolarHBondContact O-N 3Å; E262-S265 VanDerWaalsContact O-N 3.13Å; E262-S265 WeakPolarHBondContact OE2-CB 3.31Å; E262-S265 PolarHBondContact OE2-OG 3.45Å; E262-S265 VanDerWaalsContact OE2-OG 3.04Å; S265-V268 PolarHBondContact O-N 2.89Å; S265-T269 WeakPolarHBondContact O-CB 3.29Å; S265-T269 WeakPolarHBondContact O-CG2 3.47Å; S265-T269 PolarHBondContact O-N 2.72Å; S265-T269 PolarHBondContact O-OG1 2.86Å
266L89.9Confident87.6Confident56 Ų5653.1 Ų53.129%0.29333%0.325SS..Hα-helixtrans-62.2-44.9175.1-177.960000112.8E262 V264 V268 T269 V270E262-L266 PolarHBondContact O-N 3.27Å; V264-L266 VanDerWaalsContact C-N 3.33Å; V264-L266 PolarHBondContact O-N 3.01Å; L266-V268 PolarHBondContact O-N 3.45Å; L266-T269 WeakPolarHBondContact CA-OG1 3.47Å; L266-T269 PolarHBondContact O-N 3.48Å; L266-T269 PolarHBondContact O-OG1 3.37Å; L266-T269 VanDerWaalsContact O-OG1 3.08Å; L266-V270 HydrophobicContact CD1-CG2 4.12Å; L266-V270 WeakPolarHBondContact O-CB 3.18Å; L266-V270 VanDerWaalsContact O-CG2 3.26Å; L266-V270 WeakPolarHBondContact O-CG2 3.41Å; L266-V270 PolarHBondContact O-N 2.87Å
267G87.7Confident87.5Confident13 Ų1354 Ų5413%0.13433%0.326CS..Hα-helixtrans-63.1-42.1178.400000113.3K263 V264 L271 T309K263-G267 PolarHBondContact O-N 3.5Å; V264-G267 PolarHBondContact O-N 2.89Å; G267-L271 WeakPolarHBondContact O-CB 3.27Å; G267-L271 PolarHBondContact O-N 3.27Å; G267-L271 VanDerWaalsContact O-N 3.12Å; G267-T309 PolarHBondContact O-OG1 3.04Å
268V90.4Very high87.4Confident79 Ų7952.9 Ų52.948%0.47932%0.315SS..Hα-helixtrans-69.5-41.4178.1173.80000111.9V264 S265 L266 L271 L272 T309V264-V268 HydrophobicContact CG1-CG2 4.32Å; V264-V268 WeakPolarHBondContact O-CG2 3.46Å; V264-V268 PolarHBondContact O-N 2.99Å; S265-V268 PolarHBondContact O-N 2.89Å; L266-V268 PolarHBondContact O-N 3.45Å; V268-L271 PolarHBondContact O-N 3.35Å; V268-L272 WeakPolarHBondContact O-CB 3.45Å; V268-L272 PolarHBondContact O-N 3.01Å; V268-T309 HydrophobicContact CG2-CG2 4.34Å
269T91.8Very high87.7Confident78 Ų7857.3 Ų57.348%0.47934%0.337SS..Hα-helixtrans-68.2-38.4178.646.70000112.6S265 L266 L272 A273S265-T269 WeakPolarHBondContact O-CB 3.29Å; S265-T269 WeakPolarHBondContact O-CG2 3.47Å; S265-T269 PolarHBondContact O-N 2.72Å; S265-T269 PolarHBondContact O-OG1 2.86Å; L266-T269 WeakPolarHBondContact CA-OG1 3.47Å; L266-T269 PolarHBondContact O-N 3.48Å; L266-T269 PolarHBondContact O-OG1 3.37Å; L266-T269 VanDerWaalsContact O-OG1 3.08Å; T269-L272 PolarHBondContact O-N 3.14Å; T269-A273 WeakPolarHBondContact O-CB 3.25Å; T269-A273 PolarHBondContact O-N 3.42Å
270V90.3Very high87.9Confident7 Ų758.8 Ų58.84%0.04234%0.343CS..Hα-helixtrans-62.4-43.2172.51690000111.4I246 L249 A250 L266 L274 V305I246-V270 HydrophobicContact CG2-CG1 3.97Å; L249-V270 HydrophobicContact CB-CG2 3.77Å; L249-V270 HydrophobicContact CD1-CG2 4.17Å; A250-V270 HydrophobicContact CB-CG1 4.34Å; L266-V270 HydrophobicContact CD1-CG2 4.12Å; L266-V270 WeakPolarHBondContact O-CB 3.18Å; L266-V270 VanDerWaalsContact O-CG2 3.26Å; L266-V270 WeakPolarHBondContact O-CG2 3.41Å; L266-V270 PolarHBondContact O-N 2.87Å; V270-L274 WeakPolarHBondContact O-CB 3.44Å; V270-L274 PolarHBondContact O-N 3.35Å; V270-V305 HydrophobicContact CG1-CG1 4.04Å
271L89.1Confident87.9Confident39 Ų3956.5 Ų56.520%0.20433%0.326CS..Hα-helixtrans-63.4-44.3176.7-177.762.8000112.2G267 V268 T275 M302 V305 T306G267-L271 WeakPolarHBondContact O-CB 3.27Å; G267-L271 PolarHBondContact O-N 3.27Å; G267-L271 VanDerWaalsContact O-N 3.12Å; V268-L271 PolarHBondContact O-N 3.35Å; L271-T275 WeakPolarHBondContact O-CB 3.49Å; L271-T275 PolarHBondContact O-N 3.06Å; L271-T275 PolarHBondContact O-OG1 3.01Å; L271-M302 HydrophobicContact CD1-CG 4.28Å; L271-V305 HydrophobicContact CB-CG1 3.96Å; L271-V305 HydrophobicContact CD1-CB 4.41Å; L271-V305 HydrophobicContact CD1-CG1 3.99Å; L271-T306 WeakPolarHBondContact CD1-OG1 3.34Å
272L91.8Very high87.9Confident112 Ų11257.3 Ų57.359%0.58633%0.328SS*.Hα-helixtrans-63.9-46.6177.6-179.862.3000111.6V268 T269 L274 T275 V276V268-L272 WeakPolarHBondContact O-CB 3.45Å; V268-L272 PolarHBondContact O-N 3.01Å; T269-L272 PolarHBondContact O-N 3.14Å; L272-L274 PolarHBondContact O-N 2.93Å; L272-T275 WeakPolarHBondContact O-CB 3.33Å; L272-T275 PolarHBondContact O-N 3.41Å; L272-V276 HydrophobicContact CD1-CG2 4.5Å; L272-V276 WeakPolarHBondContact O-CG2 3.26Å; L272-V276 PolarHBondContact O-N 3.23Å
273A91.1Very high87.7Confident36 Ų3657.3 Ų57.330%0.29833%0.328SS..Hα-helixtrans-59-47.3177.900000111.7I246 T269 T275 V276 F277I246-A273 HydrophobicContact CD1-CB 4.5Å; T269-A273 WeakPolarHBondContact O-CB 3.25Å; T269-A273 PolarHBondContact O-N 3.42Å; A273-T275 VanDerWaalsContact C-N 3.29Å; A273-T275 PolarHBondContact O-N 3.12Å; A273-V276 PolarHBondContact O-N 3.03Å; A273-F277 VanDerWaalsContact O-CD2 3.3Å; A273-F277 WeakPolarHBondContact O-CD2 3.42Å; A273-F277 PolarHBondContact O-N 3.48Å
274L87.4Confident87.3Confident1 Ų161 Ų611%0.00535%0.354CS..Hα-helixtrans-59.7-39.7176.3-17766.8000112.1I246 V270 L272 F277 Q278 Y298 T301 M302 V305I246-L274 HydrophobicContact CG2-CB 4.41Å; V270-L274 WeakPolarHBondContact O-CB 3.44Å; V270-L274 PolarHBondContact O-N 3.35Å; L272-L274 PolarHBondContact O-N 2.93Å; L274-F277 PolarHBondContact O-N 3.38Å; L274-Q278 WeakPolarHBondContact O-CB 3.37Å; L274-Q278 PolarHBondContact O-N 2.86Å; L274-Y298 HydrophobicContact CD1-CD1 4.1Å; L274-Y298 HydrophobicContact CD1-CE1 4.24Å; L274-T301 HydrophobicContact CD1-CG2 4.19Å; L274-T301 HydrophobicContact CD2-CG2 3.72Å; L274-M302 HydrophobicContact CD2-CB 4.25Å; L274-V305 HydrophobicContact CD2-CB 4.4Å; L274-V305 HydrophobicContact CD2-CG2 4.04Å
275T88.8Confident87.1Confident53 Ų5360.2 Ų60.233%0.32535%0.348SS..Hα-helixtrans-64.9-40.9177.8-52.80000111.8L271 L272 A273 Q278 L279 M302L271-T275 WeakPolarHBondContact O-CB 3.49Å; L271-T275 PolarHBondContact O-N 3.06Å; L271-T275 PolarHBondContact O-OG1 3.01Å; L272-T275 WeakPolarHBondContact O-CB 3.33Å; L272-T275 PolarHBondContact O-N 3.41Å; A273-T275 VanDerWaalsContact C-N 3.29Å; A273-T275 PolarHBondContact O-N 3.12Å; T275-Q278 PolarHBondContact O-N 2.91Å; T275-L279 PolarHBondContact O-N 3.28Å; T275-M302 HydrophobicContact CG2-CE 4.18Å
276V90.5Very high86.7Confident91 Ų9158 Ų5855%0.55233%0.332SS*.Hα-helixtrans-66.7-43.9176.6172.50000111.4L272 A273 Q278 L279 M280L272-V276 HydrophobicContact CD1-CG2 4.5Å; L272-V276 WeakPolarHBondContact O-CG2 3.26Å; L272-V276 PolarHBondContact O-N 3.23Å; A273-V276 PolarHBondContact O-N 3.03Å; V276-Q278 VanDerWaalsContact C-N 3.34Å; V276-Q278 PolarHBondContact O-N 3.23Å; V276-L279 PolarHBondContact O-N 3.08Å; V276-M280 PolarHBondContact O-N 3.31Å
277F85.7Confident86.1Confident71 Ų7161.1 Ų61.131%0.31136%0.355SS..Hα-helixtrans-61.6-41.6173.9-84-71.2000111.9P242 I246 A273 L274 L279 M280 V281P242-F277 HydrophobicContact CB-CE1 4.44Å; P242-F277 HydrophobicContact CB-CZ 4.34Å; I246-F277 HydrophobicContact CD1-CD2 3.59Å; I246-F277 HydrophobicContact CD1-CE2 3.47Å; I246-F277 VanDerWaalsContact CD1-CE2 3.47Å; I246-F277 HydrophobicContact CD1-CZ 4.48Å; A273-F277 VanDerWaalsContact O-CD2 3.3Å; A273-F277 WeakPolarHBondContact O-CD2 3.42Å; A273-F277 PolarHBondContact O-N 3.48Å; L274-F277 PolarHBondContact O-N 3.38Å; F277-L279 PolarHBondContact O-N 3.07Å; F277-M280 PolarHBondContact O-N 2.8Å; F277-V281 WeakPolarHBondContact O-CG2 3.15Å; F277-V281 PolarHBondContact O-N 3.16Å; F277-V281 VanDerWaalsContact O-N 3.16Å
278Q83.3Confident85.3Confident50 Ų5062.5 Ų62.523%0.23436%0.363CS..Hα-helixtrans-62.9-39.6176.4-178.5179.5-2400112.4L274 T275 V276 V281 A282 Y298L274-Q278 WeakPolarHBondContact O-CB 3.37Å; L274-Q278 PolarHBondContact O-N 2.86Å; T275-Q278 PolarHBondContact O-N 2.91Å; V276-Q278 VanDerWaalsContact C-N 3.34Å; V276-Q278 PolarHBondContact O-N 3.23Å; Q278-V281 PolarHBondContact O-N 3.37Å; Q278-A282 WeakPolarHBondContact O-CB 3.36Å; Q278-A282 PolarHBondContact O-N 2.99Å; Q278-Y298 HydrophobicContact CB-CD1 4.18Å; Q278-Y298 HydrophobicContact CB-CG 4.43Å; Q278-Y298 HydrophobicContact CG-CG 4.31Å
279L86.2Confident84.3Confident99 Ų9968.8 Ų68.852%0.51839%0.388SS..Hα-helixtrans-64.1-46.3176.6179.160.6000111.6T275 V276 F277 V281 A282 E283T275-L279 PolarHBondContact O-N 3.28Å; V276-L279 PolarHBondContact O-N 3.08Å; F277-L279 PolarHBondContact O-N 3.07Å; L279-V281 VanDerWaalsContact C-N 3.27Å; L279-V281 PolarHBondContact O-N 2.98Å; L279-A282 PolarHBondContact O-N 3.47Å; L279-A282 VanDerWaalsContact O-N 3.07Å; L279-E283 HydrophobicContact CD1-CG 4.24Å; L279-E283 PolarHBondContact O-N 3.02Å
280M85.8Confident83.5Confident125 Ų12566.7 Ų66.762%0.61638%0.376SS*.Hα-helixtrans-55.3-42.6176.2179.8-177.5173.900111.9V276 F277 S284V276-M280 PolarHBondContact O-N 3.31Å; F277-M280 PolarHBondContact O-N 2.8Å; M280-S284 PolarHBondContact O-OG 3.41Å
281V83.7Confident83Confident14 Ų1470 Ų709%0.08540%0.396CS..Hα-helixtrans-68.3-37.6177.3176.80000111.9L239 F277 Q278 L279 S284 M285 Y298L239-V281 HydrophobicContact CD1-CB 4.47Å; L239-V281 HydrophobicContact CD1-CG1 4.12Å; L239-V281 HydrophobicContact CD1-CG2 3.54Å; L239-V281 HydrophobicContact CD2-CG2 4.26Å; L239-V281 HydrophobicContact CG-CG2 3.64Å; F277-V281 WeakPolarHBondContact O-CG2 3.15Å; F277-V281 PolarHBondContact O-N 3.16Å; F277-V281 VanDerWaalsContact O-N 3.16Å; Q278-V281 PolarHBondContact O-N 3.37Å; L279-V281 VanDerWaalsContact C-N 3.27Å; L279-V281 PolarHBondContact O-N 2.98Å; V281-S284 PolarHBondContact O-N 3.3Å; V281-M285 HydrophobicContact CG1-CE 3.53Å; V281-M285 HydrophobicContact CG1-SD 3.96Å; V281-M285 WeakPolarHBondContact O-CG 3.38Å; V281-Y298 HydrophobicContact CB-CE2 4.33Å; V281-Y298 HydrophobicContact CG1-CE2 4.17Å; V281-Y298 HydrophobicContact CG2-CE2 4.05Å
282A80.6Confident82.8Confident64 Ų6469 Ų6953%0.52939%0.392SS..Hα-helixtrans-70.1-29.7178.600000113.3Q278 L279 S284Q278-A282 WeakPolarHBondContact O-CB 3.36Å; Q278-A282 PolarHBondContact O-N 2.99Å; L279-A282 PolarHBondContact O-N 3.47Å; L279-A282 VanDerWaalsContact O-N 3.07Å; A282-S284 VanDerWaalsContact C-N 3.32Å
283E84.1Confident82.4Confident115 Ų11566.4 Ų66.454%0.53738%0.378SS..Hα-helixtrans-73.1-23.7177.1-73.2-176.3170.100113.5R68 L279R68-E283 PolarHBondContact NH1-O 2.91Å; L279-E283 HydrophobicContact CD1-CG 4.24Å; L279-E283 PolarHBondContact O-N 3.02Å
284S78.3Confident82Confident78 Ų7865 Ų6555%0.54537%0.366SS..THydrogen-bonded Turntrans-88.6-3.9177.8-57.30000114.8M280 V281 A282M280-S284 PolarHBondContact O-OG 3.41Å; V281-S284 PolarHBondContact O-N 3.3Å; A282-S284 VanDerWaalsContact C-N 3.32Å
285M82.3Confident81.8Confident26 Ų2665.8 Ų65.813%0.12837%0.374CS..SBendtrans-113148.1-175.4-70.4177.6178.900112.3F157 V281 P292 I294F157-M285 HydrophobicContact CD1-CE 3.33Å; F157-M285 HydrophobicContact CD2-CE 4.15Å; F157-M285 HydrophobicContact CE1-CE 3.32Å; F157-M285 HydrophobicContact CE2-CE 4.12Å; F157-M285 HydrophobicContact CG-CE 3.76Å; F157-M285 HydrophobicContact CZ-CE 3.72Å; V281-M285 HydrophobicContact CG1-CE 3.53Å; V281-M285 HydrophobicContact CG1-SD 3.96Å; V281-M285 WeakPolarHBondContact O-CG 3.38Å; M285-P292 HydrophobicContact SD-CG 4.28Å; M285-I294 HydrophobicContact CE-CG2 3.93Å; M285-I294 HydrophobicContact SD-CG2 4.44Å
286P82.2Confident81.6Confident12 Ų1268.6 Ų68.68%0.07838%0.382CS..  trans-64153.2169.520.2-28.5000113E67 V154 S288E67-P286 HydrophobicContact CB-CG 4.13Å; E67-P286 VanDerWaalsContact O-CB 3.24Å; E67-P286 WeakPolarHBondContact O-CB 3.35Å; E67-P286 WeakPolarHBondContact O-CG 3.48Å; V154-P286 HydrophobicContact CG1-CG 3.96Å; V154-P286 HydrophobicContact CG2-CG 4.3Å; P286-S288 PolarHBondContact O-N 3.23Å
287P77Confident81.4Confident120 Ų12064.9 Ų64.978%0.77936%0.358SS*.  trans-65.999.915830.2-32.3000109.2
288S70.5Confident81.4Confident43 Ų4361.7 Ų61.730%0.30134%0.344SS..  trans-98.1151.4174.4-174.90000111.4P286 S290P286-S288 PolarHBondContact O-N 3.23Å; S288-S290 WeakPolarHBondContact CB-O 3.3Å; S288-S290 PolarHBondContact O-N 3.42Å; S288-S290 PolarHBondContact OG-N 3.06Å; S288-S290 PolarHBondContact OG-OG 3.25Å
289E69.6Low81.5Confident211 Ų21163.5 Ų63.599%0.98635%0.354SS*.SBendtrans-63.2-26168.3-58.3-168.1155.800112
290S74.6Confident81.5Confident33 Ų3360.2 Ų60.223%0.23134%0.342CS..SBendtrans-95.4137.7176.180.80000110.9S155 S288 P292S155-S290 PolarHBondContact OG-OG 3.45Å; S155-S290 VanDerWaalsContact OG-OG 3.06Å; S288-S290 WeakPolarHBondContact CB-O 3.3Å; S288-S290 PolarHBondContact O-N 3.42Å; S288-S290 PolarHBondContact OG-N 3.06Å; S288-S290 PolarHBondContact OG-OG 3.25Å; S290-P292 WeakPolarHBondContact O-CD 3.34Å
291V79.6Confident81.6Confident77 Ų7754.5 Ų54.547%0.46731%0.314SS..PPolyproline II helixtrans-79.9121.3168.9-175.70000108.4K296V291-K296 HydrophobicContact CB-CG 4.4Å; V291-K296 HydrophobicContact CG1-CG 3.98Å; V291-K296 WeakPolarHBondContact O-CE 3.3Å; V291-K296 PolarHBondContact O-NZ 3.4Å
292P85.4Confident81.7Confident19 Ų1956.6 Ų56.612%0.12332%0.323CS..PPolyproline II helixtrans-55.3150.5179.6-29.437.2000113.4V154 M285 S290 I294 G295 K296V154-P292 HydrophobicContact CB-CG 4.16Å; V154-P292 HydrophobicContact CG2-CG 3.82Å; V154-P292 WeakPolarHBondContact O-CB 3.32Å; M285-P292 HydrophobicContact SD-CG 4.28Å; S290-P292 WeakPolarHBondContact O-CD 3.34Å; P292-I294 HydrophobicContact CB-CG2 3.67Å; P292-I294 PolarHBondContact O-N 3.33Å; P292-G295 WeakPolarHBondContact O-CA 3.39Å; P292-G295 PolarHBondContact O-N 3.12Å; P292-K296 PolarHBondContact O-N 3.4Å
293L83Confident82.1Confident57 Ų5757.7 Ų57.730%0.29832%0.323SS..Hα-helixtrans-55.9-41.7174.5-177.863.2000111.9S155 G295 K296 Y297 K554S155-L293 WeakPolarHBondContact O-CB 3.33Å; S155-L293 PolarHBondContact O-N 3.16Å; L293-G295 PolarHBondContact O-N 3.44Å; L293-K296 WeakPolarHBondContact O-CB 3.46Å; L293-K296 PolarHBondContact O-N 2.85Å; L293-Y297 PolarHBondContact O-N 2.84Å; L293-Y297 VanDerWaalsContact O-N 3.08Å; L293-K554 HydrophobicContact CD2-CB 3.84Å
294I83.4Confident82.3Confident6 Ų653 Ų533%0.03130%0.302CS..Hα-helixtrans-61.3-40173.6-17660000112.5F157 L239 L240 M285 P292 Y297 Y298F157-I294 HydrophobicContact CB-CG2 4.46Å; F157-I294 HydrophobicContact CD1-CG2 3.94Å; L239-I294 HydrophobicContact CD2-CD1 3.81Å; L239-I294 HydrophobicContact CD2-CG1 4.01Å; L240-I294 HydrophobicContact CD2-CD1 3.6Å; L240-I294 HydrophobicContact CG-CD1 4.38Å; M285-I294 HydrophobicContact CE-CG2 3.93Å; M285-I294 HydrophobicContact SD-CG2 4.44Å; P292-I294 HydrophobicContact CB-CG2 3.67Å; P292-I294 PolarHBondContact O-N 3.33Å; I294-Y297 HydrophobicContact CD1-CD1 4.25Å; I294-Y297 WeakPolarHBondContact O-CB 3.47Å; I294-Y297 PolarHBondContact O-N 3.07Å; I294-Y298 HydrophobicContact CD1-CD2 4.04Å; I294-Y298 HydrophobicContact CD1-CE2 3.62Å; I294-Y298 HydrophobicContact CG1-CD2 3.89Å; I294-Y298 HydrophobicContact CG1-CE2 3.6Å; I294-Y298 VanDerWaalsContact O-CD2 3.27Å; I294-Y298 WeakPolarHBondContact O-CD2 3.5Å; I294-Y298 PolarHBondContact O-N 3.36Å
295G84.1Confident82.8Confident18 Ų1849.5 Ų49.519%0.18628%0.277CS..Hα-helixtrans-66-42176.300000112.6P292 L293 Y297 Y298 I299P292-G295 WeakPolarHBondContact O-CA 3.39Å; P292-G295 PolarHBondContact O-N 3.12Å; L293-G295 PolarHBondContact O-N 3.44Å; G295-Y297 VanDerWaalsContact C-N 3.28Å; G295-Y297 PolarHBondContact O-N 3.3Å; G295-Y298 PolarHBondContact O-N 2.68Å; G295-I299 VanDerWaalsContact O-CG1 3.32Å; G295-I299 WeakPolarHBondContact O-CG1 3.34Å; G295-I299 PolarHBondContact O-N 2.92Å
296K84.8Confident83.1Confident111 Ų11151.5 Ų51.548%0.48329%0.291SS..Hα-helixtrans-58.2-41172.5-70.1159.3176.3141.70111.4V291 P292 L293 A300V291-K296 HydrophobicContact CB-CG 4.4Å; V291-K296 HydrophobicContact CG1-CG 3.98Å; V291-K296 WeakPolarHBondContact O-CE 3.3Å; V291-K296 PolarHBondContact O-NZ 3.4Å; P292-K296 PolarHBondContact O-N 3.4Å; L293-K296 WeakPolarHBondContact O-CB 3.46Å; L293-K296 PolarHBondContact O-N 2.85Å; K296-A300 WeakPolarHBondContact O-CB 3.27Å; K296-A300 PolarHBondContact O-N 3.48Å
297Y84.9Confident83.5Confident14 Ų1453.1 Ų53.16%0.05531%0.305CS..Hα-helixtrans-65.8-47.2174.5170.3-109.3000112.7C243 F244 L293 I294 G295 I299 A300 T301 M547 V551C243-Y297 VanDerWaalsContact SG-CE1 3.6Å; F244-Y297 VanDerWaalsContact CD1-OH 3.25Å; F244-Y297 WeakPolarHBondContact CD1-OH 3.42Å; F244-Y297 HydrophobicContact CE1-CE1 4.3Å; F244-Y297 HydrophobicContact CE1-CE2 4.4Å; F244-Y297 AromaticContact CE1-CZ 3.81Å; F244-Y297 WeakPolarHBondContact CE1-OH 3.04Å; L293-Y297 PolarHBondContact O-N 2.84Å; L293-Y297 VanDerWaalsContact O-N 3.08Å; I294-Y297 HydrophobicContact CD1-CD1 4.25Å; I294-Y297 WeakPolarHBondContact O-CB 3.47Å; I294-Y297 PolarHBondContact O-N 3.07Å; G295-Y297 VanDerWaalsContact C-N 3.28Å; G295-Y297 PolarHBondContact O-N 3.3Å; Y297-I299 VanDerWaalsContact C-N 3.34Å; Y297-I299 PolarHBondContact O-N 3.42Å; Y297-A300 PolarHBondContact O-N 3.47Å; Y297-T301 VanDerWaalsContact CE2-OG1 3.31Å; Y297-T301 WeakPolarHBondContact CE2-OG1 3.28Å; Y297-T301 WeakPolarHBondContact O-CB 3.12Å; Y297-T301 PolarHBondContact O-N 3.4Å; Y297-T301 PolarHBondContact O-OG1 3.06Å; Y297-M547 HydrophobicContact CE2-CB 4.4Å; Y297-V551 HydrophobicContact CD1-CG2 4.32Å; Y297-V551 HydrophobicContact CD2-CG2 3.42Å; Y297-V551 VanDerWaalsContact CD2-CG2 3.42Å; Y297-V551 HydrophobicContact CE2-CG2 3.91Å; Y297-V551 HydrophobicContact CG-CG2 3.66Å
298Y85.6Confident84.1Confident3 Ų347.6 Ų47.61%0.01227%0.27CS..Hα-helixtrans-58-44.2176.4-83.2-68.3000112.3L239 C243 L274 Q278 V281 I294 G295 T301 M302L239-Y298 HydrophobicContact CD2-CE2 4.13Å; L239-Y298 WeakPolarHBondContact CD2-OH 3.17Å; C243-Y298 HydrophobicContact CB-CE1 4.07Å; C243-Y298 WeakPolarHBondContact SG-CE1 3.48Å; L274-Y298 HydrophobicContact CD1-CD1 4.1Å; L274-Y298 HydrophobicContact CD1-CE1 4.24Å; Q278-Y298 HydrophobicContact CB-CD1 4.18Å; Q278-Y298 HydrophobicContact CB-CG 4.43Å; Q278-Y298 HydrophobicContact CG-CG 4.31Å; V281-Y298 HydrophobicContact CB-CE2 4.33Å; V281-Y298 HydrophobicContact CG1-CE2 4.17Å; V281-Y298 HydrophobicContact CG2-CE2 4.05Å; I294-Y298 HydrophobicContact CD1-CD2 4.04Å; I294-Y298 HydrophobicContact CD1-CE2 3.62Å; I294-Y298 HydrophobicContact CG1-CD2 3.89Å; I294-Y298 HydrophobicContact CG1-CE2 3.6Å; I294-Y298 VanDerWaalsContact O-CD2 3.27Å; I294-Y298 WeakPolarHBondContact O-CD2 3.5Å; I294-Y298 PolarHBondContact O-N 3.36Å; G295-Y298 PolarHBondContact O-N 2.68Å; Y298-T301 PolarHBondContact O-N 3.46Å; Y298-M302 VanDerWaalsContact O-CB 3.32Å; Y298-M302 WeakPolarHBondContact O-CB 3.35Å; Y298-M302 PolarHBondContact O-N 2.96Å
299I86.1Confident85Confident88 Ų8846.1 Ų46.145%0.45126%0.259SS..Hα-helixtrans-63.3-43177.6-65.7164.4000111.4G295 Y297 M302 T303G295-I299 VanDerWaalsContact O-CG1 3.32Å; G295-I299 WeakPolarHBondContact O-CG1 3.34Å; G295-I299 PolarHBondContact O-N 2.92Å; Y297-I299 VanDerWaalsContact C-N 3.34Å; Y297-I299 PolarHBondContact O-N 3.42Å; I299-M302 PolarHBondContact O-N 3.29Å; I299-T303 WeakPolarHBondContact O-CG2 3.35Å; I299-T303 PolarHBondContact O-N 3.3Å; I299-T303 PolarHBondContact O-OG1 3.37Å
300A87Confident86.1Confident31 Ų3138.9 Ų38.926%0.25624%0.235SC..Hα-helixtrans-63.3-40.3175.600000112.2K296 Y297 T303 M304K296-A300 WeakPolarHBondContact O-CB 3.27Å; K296-A300 PolarHBondContact O-N 3.48Å; Y297-A300 PolarHBondContact O-N 3.47Å; A300-T303 PolarHBondContact O-OG1 3.36Å; A300-M304 VanDerWaalsContact O-CB 3.3Å; A300-M304 WeakPolarHBondContact O-CB 3.48Å; A300-M304 PolarHBondContact O-N 2.91Å; A300-M304 VanDerWaalsContact O-N 3.08Å
301T85.8Confident86.8Confident5 Ų539.6 Ų39.63%0.03124%0.236CC..Hα-helixtrans-69.8-43.3177.2-57.60000111.5S247 L274 Y297 Y298 T303 M304 V305S247-T301 VanDerWaalsContact OG-CG2 3.28Å; S247-T301 WeakPolarHBondContact OG-CG2 3.44Å; L274-T301 HydrophobicContact CD1-CG2 4.19Å; L274-T301 HydrophobicContact CD2-CG2 3.72Å; Y297-T301 VanDerWaalsContact CE2-OG1 3.31Å; Y297-T301 WeakPolarHBondContact CE2-OG1 3.28Å; Y297-T301 WeakPolarHBondContact O-CB 3.12Å; Y297-T301 PolarHBondContact O-N 3.4Å; Y297-T301 PolarHBondContact O-OG1 3.06Å; Y298-T301 PolarHBondContact O-N 3.46Å; T301-T303 PolarHBondContact O-N 3.49Å; T301-M304 WeakPolarHBondContact O-CB 3.39Å; T301-M304 PolarHBondContact O-N 2.95Å; T301-V305 HydrophobicContact CG2-CG2 4.38Å; T301-V305 WeakPolarHBondContact O-CG2 3.47Å; T301-V305 PolarHBondContact O-N 3.44Å
302M87.3Confident87.2Confident58 Ų5836.1 Ų36.129%0.28622%0.215SC..Hα-helixtrans-62.9-44.2179.1-170.3-169.5-169.300111.8L271 L274 T275 Y298 I299 V305 T306L271-M302 HydrophobicContact CD1-CG 4.28Å; L274-M302 HydrophobicContact CD2-CB 4.25Å; T275-M302 HydrophobicContact CG2-CE 4.18Å; Y298-M302 VanDerWaalsContact O-CB 3.32Å; Y298-M302 WeakPolarHBondContact O-CB 3.35Å; Y298-M302 PolarHBondContact O-N 2.96Å; I299-M302 PolarHBondContact O-N 3.29Å; M302-V305 PolarHBondContact O-N 2.72Å; M302-T306 WeakPolarHBondContact O-CB 3.38Å; M302-T306 PolarHBondContact O-N 2.93Å; M302-T306 PolarHBondContact O-OG1 3.47Å
303T88.8Confident87.4Confident86 Ų8639.4 Ų39.453%0.52823%0.23SC..Hα-helixtrans-64.7-39.6174.752.40000111.8I299 A300 T301 T306 A307I299-T303 WeakPolarHBondContact O-CG2 3.35Å; I299-T303 PolarHBondContact O-N 3.3Å; I299-T303 PolarHBondContact O-OG1 3.37Å; A300-T303 PolarHBondContact O-OG1 3.36Å; T301-T303 PolarHBondContact O-N 3.49Å; T303-T306 PolarHBondContact O-N 3.03Å; T303-A307 WeakPolarHBondContact O-CB 3.36Å; T303-A307 PolarHBondContact O-N 2.88Å
304M87.9Confident87.6Confident17 Ų1742 Ų428%0.08424%0.24CC..Hα-helixtrans-62.7-46.7174.8-166.6-169.1-50.300112.7A300 T301 A307 S308 F540 M543 V544 M547A300-M304 VanDerWaalsContact O-CB 3.3Å; A300-M304 WeakPolarHBondContact O-CB 3.48Å; A300-M304 PolarHBondContact O-N 2.91Å; A300-M304 VanDerWaalsContact O-N 3.08Å; T301-M304 WeakPolarHBondContact O-CB 3.39Å; T301-M304 PolarHBondContact O-N 2.95Å; M304-A307 PolarHBondContact O-N 2.71Å; M304-S308 WeakPolarHBondContact O-CB 3.49Å; M304-S308 PolarHBondContact O-N 3.4Å; M304-F540 HydrophobicContact CG-CD1 3.58Å; M304-F540 HydrophobicContact CG-CE1 3.66Å; M304-F540 HydrophobicContact SD-CD1 4.09Å; M304-M543 HydrophobicContact CE-CB 3.96Å; M304-M543 HydrophobicContact CE-CE 4.41Å; M304-M543 HydrophobicContact SD-CB 3.91Å; M304-V544 HydrophobicContact SD-CG2 3.57Å; M304-V544 VanDerWaalsContact SD-CG2 3.57Å; M304-M547 HydrophobicContact CE-CG 3.99Å
305V88.6Confident87.8Confident5 Ų541.8 Ų41.83%0.0324%0.238CC..Hα-helixtrans-66-37.6177.7173.70000111.4A250 V270 L271 L274 T301 M302 S308 T309A250-V305 HydrophobicContact CB-CG2 3.94Å; V270-V305 HydrophobicContact CG1-CG1 4.04Å; L271-V305 HydrophobicContact CB-CG1 3.96Å; L271-V305 HydrophobicContact CD1-CB 4.41Å; L271-V305 HydrophobicContact CD1-CG1 3.99Å; L274-V305 HydrophobicContact CD2-CB 4.4Å; L274-V305 HydrophobicContact CD2-CG2 4.04Å; T301-V305 HydrophobicContact CG2-CG2 4.38Å; T301-V305 WeakPolarHBondContact O-CG2 3.47Å; T301-V305 PolarHBondContact O-N 3.44Å; M302-V305 PolarHBondContact O-N 2.72Å; V305-S308 PolarHBondContact O-N 2.74Å; V305-T309 WeakPolarHBondContact O-CB 3.5Å; V305-T309 PolarHBondContact O-N 2.94Å; V305-T309 PolarHBondContact O-OG1 3.03Å
306T90Very high87.9Confident68 Ų6841.9 Ų41.942%0.41723%0.234SC..Hα-helixtrans-63.1-46.2174.8-56.90000111L271 M302 T303 T309 A310L271-T306 WeakPolarHBondContact CD1-OG1 3.34Å; M302-T306 WeakPolarHBondContact O-CB 3.38Å; M302-T306 PolarHBondContact O-N 2.93Å; M302-T306 PolarHBondContact O-OG1 3.47Å; T303-T306 PolarHBondContact O-N 3.03Å; T306-T309 PolarHBondContact O-N 3.44Å; T306-A310 WeakPolarHBondContact O-CB 3.25Å; T306-A310 PolarHBondContact O-N 3.43Å
307A90.4Very high87.9Confident46 Ų4642 Ų4238%0.3824%0.24SC..Hα-helixtrans-63.7-40.7175.400000112.4T303 M304 A310 L311 F540T303-A307 WeakPolarHBondContact O-CB 3.36Å; T303-A307 PolarHBondContact O-N 2.88Å; M304-A307 PolarHBondContact O-N 2.71Å; A307-A310 PolarHBondContact O-N 3.5Å; A307-L311 WeakPolarHBondContact O-CB 3.34Å; A307-L311 WeakPolarHBondContact O-CG 3.41Å; A307-L311 PolarHBondContact O-N 2.99Å; A307-F540 HydrophobicContact CB-CZ 4.39Å
308S89.8Confident87.8Confident4 Ų442.3 Ų42.33%0.02824%0.242CC..Hα-helixtrans-59.4-46.3174.8171.20000112.2F254 M304 V305 L311 T312F254-S308 WeakPolarHBondContact CE2-OG 3.43Å; F254-S308 WeakPolarHBondContact CZ-OG 3.33Å; M304-S308 WeakPolarHBondContact O-CB 3.49Å; M304-S308 PolarHBondContact O-N 3.4Å; V305-S308 PolarHBondContact O-N 2.74Å; S308-L311 PolarHBondContact O-N 2.82Å; S308-T312 WeakPolarHBondContact O-CB 3.12Å; S308-T312 PolarHBondContact O-N 3.22Å; S308-T312 PolarHBondContact O-OG1 3.4Å
309T89.4Confident87.6Confident12 Ų1242.4 Ų42.47%0.07424%0.243CC..Hα-helixtrans-68.4-39.9179-58.60000111.6G267 V268 V305 T306 T312 I313G267-T309 PolarHBondContact O-OG1 3.04Å; V268-T309 HydrophobicContact CG2-CG2 4.34Å; V305-T309 WeakPolarHBondContact O-CB 3.5Å; V305-T309 PolarHBondContact O-N 2.94Å; V305-T309 PolarHBondContact O-OG1 3.03Å; T306-T309 PolarHBondContact O-N 3.44Å; T309-T312 WeakPolarHBondContact O-CB 3.48Å; T309-T312 PolarHBondContact O-N 3.22Å; T309-I313 HydrophobicContact CG2-CD1 4.31Å; T309-I313 WeakPolarHBondContact O-CG1 3.48Å; T309-I313 PolarHBondContact O-N 3.3Å
310A90.9Very high87.3Confident58 Ų5844.1 Ų44.148%0.47925%0.247SC..Hα-helixtrans-62.7-44174.300000112.4T306 A307 T312 I313 F314T306-A310 WeakPolarHBondContact O-CB 3.25Å; T306-A310 PolarHBondContact O-N 3.43Å; A307-A310 PolarHBondContact O-N 3.5Å; A310-T312 VanDerWaalsContact C-N 3.34Å; A310-I313 PolarHBondContact O-N 3.35Å; A310-F314 PolarHBondContact O-N 2.94Å
311L89.3Confident86.6Confident49 Ų4944.8 Ų44.826%0.25725%0.25SC..Hα-helixtrans-65.5-36.4173.9-74.8167.7000112F254 A307 S308 F314 I315 F536 F540F254-L311 HydrophobicContact CE1-CB 4.44Å; F254-L311 HydrophobicContact CZ-CB 4.43Å; A307-L311 WeakPolarHBondContact O-CB 3.34Å; A307-L311 WeakPolarHBondContact O-CG 3.41Å; A307-L311 PolarHBondContact O-N 2.99Å; S308-L311 PolarHBondContact O-N 2.82Å; L311-F314 WeakPolarHBondContact O-CB 3.46Å; L311-F314 PolarHBondContact O-N 2.9Å; L311-I315 WeakPolarHBondContact O-CD1 3.24Å; L311-I315 VanDerWaalsContact O-CG1 3.24Å; L311-I315 WeakPolarHBondContact O-CG1 3.45Å; L311-I315 PolarHBondContact O-N 3.4Å; L311-F536 HydrophobicContact CD1-CD1 3.97Å; L311-F536 HydrophobicContact CD1-CE1 3.94Å; L311-F536 HydrophobicContact CD1-CZ 4.49Å; L311-F536 HydrophobicContact CD2-CE1 4.32Å; L311-F536 HydrophobicContact CD2-CZ 4.1Å; L311-F540 HydrophobicContact CD1-CE2 3.74Å; L311-F540 HydrophobicContact CD1-CZ 3.85Å
312T88.2Confident85.2Confident4 Ų446.6 Ų46.63%0.02527%0.27CS..Hα-helixtrans-60.7-45.1173.5-65.70000111.3F254 K263 S308 T309 A310 F314 I315 M316F254-T312 WeakPolarHBondContact CE1-OG1 3.28Å; K263-T312 HydrophobicContact CD-CG2 4.02Å; K263-T312 HydrophobicContact CG-CG2 3.88Å; S308-T312 WeakPolarHBondContact O-CB 3.12Å; S308-T312 PolarHBondContact O-N 3.22Å; S308-T312 PolarHBondContact O-OG1 3.4Å; T309-T312 WeakPolarHBondContact O-CB 3.48Å; T309-T312 PolarHBondContact O-N 3.22Å; A310-T312 VanDerWaalsContact C-N 3.34Å; T312-F314 VanDerWaalsContact C-N 3.33Å; T312-F314 PolarHBondContact O-N 3.03Å; T312-I315 PolarHBondContact O-N 3.25Å; T312-M316 HydrophobicContact CG2-CG 4.5Å; T312-M316 WeakPolarHBondContact O-CB 3.39Å; T312-M316 WeakPolarHBondContact O-CG 3.2Å; T312-M316 PolarHBondContact O-N 3.18Å
313I89.3Confident83.5Confident88 Ų8848 Ų4845%0.45128%0.281SS..Hα-helixtrans-62.4-40.5175.5-67.4163.7000111.1V264 T309 A310 M316 N317V264-I313 HydrophobicContact CG1-CD1 4.4Å; V264-I313 HydrophobicContact CG1-CG1 4.06Å; V264-I313 HydrophobicContact CG2-CG1 4.3Å; T309-I313 HydrophobicContact CG2-CD1 4.31Å; T309-I313 WeakPolarHBondContact O-CG1 3.48Å; T309-I313 PolarHBondContact O-N 3.3Å; A310-I313 PolarHBondContact O-N 3.35Å; I313-M316 PolarHBondContact O-N 3.03Å; I313-N317 PolarHBondContact O-N 3.47Å
314F88.8Confident81.9Confident112 Ų11253.1 Ų53.149%0.49130%0.299SS..Hα-helixtrans-64.1-43.1175.2179.3-114.6000112.8A310 L311 T312 M316 N317 I318 M532A310-F314 PolarHBondContact O-N 2.94Å; L311-F314 WeakPolarHBondContact O-CB 3.46Å; L311-F314 PolarHBondContact O-N 2.9Å; T312-F314 VanDerWaalsContact C-N 3.33Å; T312-F314 PolarHBondContact O-N 3.03Å; F314-M316 VanDerWaalsContact C-N 3.35Å; F314-N317 WeakPolarHBondContact O-CB 3.47Å; F314-N317 PolarHBondContact O-N 3.45Å; F314-I318 HydrophobicContact CD1-CD1 4.03Å; F314-I318 HydrophobicContact CE1-CD1 3.61Å; F314-I318 HydrophobicContact CE2-CD1 4.24Å; F314-I318 HydrophobicContact CZ-CD1 3.73Å; F314-I318 WeakPolarHBondContact O-CG1 3.26Å; F314-I318 PolarHBondContact O-N 3.01Å; F314-M532 HydrophobicContact CD1-CE 4.28Å; F314-M532 HydrophobicContact CE1-CE 3.95Å
315I86.6Confident80.6Confident0 Ų053.4 Ų53.40%030%0.304CS..Hα-helixtrans-67.7-35.8176.3-62.8159.8000111.1F254 L311 T312 I318 H319 A529 M532 D533 F536F254-I315 HydrophobicContact CD1-CD1 4.06Å; F254-I315 HydrophobicContact CE1-CD1 3.86Å; L311-I315 WeakPolarHBondContact O-CD1 3.24Å; L311-I315 VanDerWaalsContact O-CG1 3.24Å; L311-I315 WeakPolarHBondContact O-CG1 3.45Å; L311-I315 PolarHBondContact O-N 3.4Å; T312-I315 PolarHBondContact O-N 3.25Å; I315-I318 PolarHBondContact O-N 3Å; I315-H319 WeakPolarHBondContact O-CB 3.3Å; I315-H319 PolarHBondContact O-N 3.38Å; I315-A529 HydrophobicContact CG2-CB 3.92Å; I315-M532 HydrophobicContact CD1-CB 4.41Å; I315-M532 HydrophobicContact CG1-CB 4.33Å; I315-M532 HydrophobicContact CG1-CE 4.17Å; I315-D533 WeakPolarHBondContact CD1-OD1 3.3Å; I315-D533 WeakPolarHBondContact CG2-OD1 3.48Å; I315-F536 HydrophobicContact CD1-CD2 3.69Å; I315-F536 HydrophobicContact CD1-CE2 4.22Å
316M85.7Confident79.5Confident20 Ų2061.8 Ų61.810%0.09934%0.34CS..Hα-helixtrans-63.1-41.8172.1-69.2-71.8-87.600111.2A258 K263 V264 T312 I313 F314 I318 H319 F320A258-M316 HydrophobicContact CB-SD 3.43Å; A258-M316 WeakPolarHBondContact CB-SD 3.46Å; K263-M316 HydrophobicContact CB-CE 4.2Å; K263-M316 HydrophobicContact CB-SD 4.25Å; K263-M316 HydrophobicContact CD-CG 4.39Å; K263-M316 HydrophobicContact CD-SD 3.8Å; V264-M316 HydrophobicContact CG2-CE 4.27Å; V264-M316 HydrophobicContact CG2-CG 4.05Å; T312-M316 HydrophobicContact CG2-CG 4.5Å; T312-M316 WeakPolarHBondContact O-CB 3.39Å; T312-M316 WeakPolarHBondContact O-CG 3.2Å; T312-M316 PolarHBondContact O-N 3.18Å; I313-M316 PolarHBondContact O-N 3.03Å; F314-M316 VanDerWaalsContact C-N 3.35Å; M316-I318 VanDerWaalsContact C-N 3.32Å; M316-I318 PolarHBondContact O-N 3.1Å; M316-H319 PolarHBondContact O-N 2.98Å; M316-F320 HydrophobicContact CE-CE2 3.85Å; M316-F320 VanDerWaalsContact O-CD2 3.26Å; M316-F320 WeakPolarHBondContact O-CD2 3.47Å; M316-F320 PolarHBondContact O-N 3.31Å; M316-F320 HydrophobicContact SD-CE2 4.18Å
317N86.1Confident78.5Confident114 Ų11463 Ų6361%0.6135%0.349SS*.Hα-helixtrans-59.5-41.7173.9-169.9-79000111.9I313 F314 F320 C321I313-N317 PolarHBondContact O-N 3.47Å; F314-N317 WeakPolarHBondContact O-CB 3.47Å; F314-N317 PolarHBondContact O-N 3.45Å; N317-F320 CarbonylContact O-C 3.55Å; N317-C321 PolarHBondContact O-N 2.84Å
318I81.8Confident77.7Confident20 Ų2061.2 Ų61.210%0.10333%0.333CS..Hα-helixtrans-66.9-42.4174.5-68.1171000111.8F314 I315 M316 F320 C321 W525 I528 A529 M532F314-I318 HydrophobicContact CD1-CD1 4.03Å; F314-I318 HydrophobicContact CE1-CD1 3.61Å; F314-I318 HydrophobicContact CE2-CD1 4.24Å; F314-I318 HydrophobicContact CZ-CD1 3.73Å; F314-I318 WeakPolarHBondContact O-CG1 3.26Å; F314-I318 PolarHBondContact O-N 3.01Å; I315-I318 PolarHBondContact O-N 3Å; M316-I318 VanDerWaalsContact C-N 3.32Å; M316-I318 PolarHBondContact O-N 3.1Å; I318-F320 VanDerWaalsContact C-N 3.33Å; I318-F320 PolarHBondContact O-N 3.25Å; I318-C321 WeakPolarHBondContact O-CB 3.42Å; I318-C321 PolarHBondContact O-N 3.36Å; I318-C321 VanDerWaalsContact O-N 3.14Å; I318-W525 HydrophobicContact CG2-CE3 3.75Å; I318-W525 HydrophobicContact CG2-CZ3 4.14Å; I318-I528 HydrophobicContact CG2-CG2 4.38Å; I318-A529 HydrophobicContact CG2-CB 4.38Å; I318-M532 HydrophobicContact CD1-CE 3.79Å; I318-M532 HydrophobicContact CD1-SD 3.97Å
319H81.9Confident77.1Confident6 Ų663.4 Ų63.43%0.02835%0.348CS..Hα-helixtrans-65-35-179.5179-97.8000113.2A258 D259 I315 M316 K526 A529A258-H319 HydrophobicContact CB-CB 4.13Å; A258-H319 VanDerWaalsContact CB-CG 3.5Å; A258-H319 WeakPolarHBondContact CB-ND1 3.09Å; D259-H319 IonicContact OD1-CE1 3.13Å; D259-H319 PolarHBondContact OD1-CE1 3.1Å; D259-H319 VanDerWaalsContact OD1-CE1 3.26Å; D259-H319 IonicContact OD1-NE2 3.71Å; D259-H319 IonicContact OD2-NE2 3.78Å; I315-H319 WeakPolarHBondContact O-CB 3.3Å; I315-H319 PolarHBondContact O-N 3.38Å; M316-H319 PolarHBondContact O-N 2.98Å; H319-K526 VanDerWaalsContact CE1-CE 3.44Å; H319-K526 WeakPolarHBondContact CE1-CE 3.43Å; H319-K526 PolarHBondContact CE1-NZ 3.28Å; H319-K526 WeakPolarHBondContact NE2-CD 3.34Å; H319-K526 VanDerWaalsContact NE2-CE 3.3Å; H319-K526 WeakPolarHBondContact NE2-CE 3.48Å; H319-A529 HydrophobicContact CB-CB 3.88Å
320F79.4Confident76.4Confident123 Ų12370.1 Ų70.154%0.53938%0.378SS..THydrogen-bonded Turntrans-97.413.6174.5-64-69.8000113M316 N317 I318 G322M316-F320 HydrophobicContact CE-CE2 3.85Å; M316-F320 VanDerWaalsContact O-CD2 3.26Å; M316-F320 WeakPolarHBondContact O-CD2 3.47Å; M316-F320 PolarHBondContact O-N 3.31Å; M316-F320 HydrophobicContact SD-CE2 4.18Å; N317-F320 CarbonylContact O-C 3.55Å; I318-F320 VanDerWaalsContact C-N 3.33Å; I318-F320 PolarHBondContact O-N 3.25Å; F320-G322 PolarHBondContact O-N 3.46Å; F320-G322 VanDerWaalsContact O-N 3.07Å
321C72.3Confident76Confident46 Ų4675.6 Ų75.631%0.31139%0.386SS..  trans-64.5112.9174.1-155.40000108.6N317 I318N317-C321 PolarHBondContact O-N 2.84Å; I318-C321 WeakPolarHBondContact O-CB 3.42Å; I318-C321 PolarHBondContact O-N 3.36Å; I318-C321 VanDerWaalsContact O-N 3.14Å
322G56.9Low75.4Confident43 Ų4373.4 Ų73.444%0.44338%0.375SS..  trans-71.3177.3-154.700000116F320 E324 A325F320-G322 PolarHBondContact O-N 3.46Å; F320-G322 VanDerWaalsContact O-N 3.07Å; G322-E324 PolarHBondContact O-N 3.19Å; G322-E324 VanDerWaalsContact O-N 3.11Å; G322-A325 WeakPolarHBondContact O-CB 3.45Å; G322-A325 PolarHBondContact O-N 3Å
323V51.6Low74.8Confident87 Ų8776.2 Ų76.253%0.52739%0.387SS..THydrogen-bonded Turntrans-59-20.1177.5-84.30000114.7T518V323-T518 HydrophobicContact CB-CG2 3.4Å; V323-T518 VanDerWaalsContact CB-CG2 3.4Å; V323-T518 HydrophobicContact CG1-CG2 3.56Å; V323-T518 WeakPolarHBondContact O-CG2 3.36Å
324E54.6Low74.2Confident194 Ų19475.7 Ų75.791%0.90739%0.388SS*.THydrogen-bonded Turntrans-87.8-1.6172.8-60.1-170.3136.600114.1G322G322-E324 PolarHBondContact O-N 3.19Å; G322-E324 VanDerWaalsContact O-N 3.11Å
325A61.5Low73.7Confident22 Ų2274.5 Ų74.518%0.18239%0.386CS..SBendtrans-60.5145.6-176.900000112.3G322G322-A325 WeakPolarHBondContact O-CB 3.45Å; G322-A325 PolarHBondContact O-N 3Å
326K65.1Low73.2Confident181 Ų18175.2 Ų75.279%0.78739%0.39SS*.PPolyproline II helixtrans-55.8144.4170.8-67.9179.9-178.5175.70109.4V328 W525K326-V328 PolarHBondContact O-N 3.45Å; K326-W525 PolarHBondContact O-NE1 3.3Å
327P68.3Low72.6Confident93 Ų9375.6 Ų75.660%0.60439%0.392SS*.PPolyproline II helixtrans-56.9143177.725.5-34.8000110.1
328V73.5Confident71.9Confident9 Ų974 Ų746%0.05538%0.384CS..PPolyproline II helixtrans-49125.7-179.5173.50000110.1K326 H330 A332 K333 E524 W525 I528K326-V328 PolarHBondContact O-N 3.45Å; V328-H330 PolarHBondContact O-N 2.95Å; V328-A332 HydrophobicContact CG1-CB 4Å; V328-K333 HydrophobicContact CB-CG 4.23Å; V328-K333 HydrophobicContact CG1-CD 4.48Å; V328-K333 HydrophobicContact CG1-CG 3.6Å; V328-E524 HydrophobicContact CG2-CB 3.97Å; V328-W525 HydrophobicContact CG2-CD2 3.73Å; V328-W525 HydrophobicContact CG2-CE3 4.2Å; V328-W525 HydrophobicContact CG2-CG 4.05Å; V328-W525 HydrophobicContact CG2-CZ2 4.06Å; V328-I528 HydrophobicContact CB-CD1 4.12Å; V328-I528 HydrophobicContact CG1-CD1 3.37Å; V328-I528 HydrophobicContact CG2-CD1 3.55Å
329P78.9Confident71.6Confident51 Ų5180.9 Ų80.933%0.33141%0.409SS..PPolyproline II helixtrans-55138.5177.4-27.135.2000112.5W331 A332 K333P329-W331 HydrophobicContact CB-CG 4.27Å; P329-W331 VanDerWaalsContact CB-NE1 3.33Å; P329-W331 PolarHBondContact O-N 2.9Å; P329-W331 VanDerWaalsContact O-N 3.13Å; P329-A332 HydrophobicContact CB-CB 4.45Å; P329-A332 WeakPolarHBondContact O-CA 3.38Å; P329-A332 WeakPolarHBondContact O-CB 3.47Å; P329-A332 PolarHBondContact O-N 3.25Å; P329-K333 PolarHBondContact O-N 2.85Å
330H74.3Confident71.3Confident152 Ų15281.4 Ų81.470%0.70441%0.412SS*.Hα-helixtrans-58.1-32.7-175.9-165.4-47.7000113V328 A332 K333 V334V328-H330 PolarHBondContact O-N 2.95Å; H330-A332 VanDerWaalsContact C-N 3.32Å; H330-A332 PolarHBondContact O-N 3.17Å; H330-K333 PolarHBondContact O-N 3.24Å; H330-V334 PolarHBondContact O-N 2.92Å
331W82.3Confident70.9Confident173 Ų17376.3 Ų76.366%0.65539%0.391SS*.Hα-helixtrans-63.3-37.8174.369.6-102.8000112.1P329 L335P329-W331 HydrophobicContact CB-CG 4.27Å; P329-W331 VanDerWaalsContact CB-NE1 3.33Å; P329-W331 PolarHBondContact O-N 2.9Å; P329-W331 VanDerWaalsContact O-N 3.13Å; W331-L335 WeakPolarHBondContact O-CB 3.37Å; W331-L335 PolarHBondContact O-N 2.97Å
332A75.9Confident70.8Confident4 Ų479.9 Ų79.93%0.03340%0.402CS..Hα-helixtrans-73.3-31.9-179.200000111.8V328 P329 H330 I336V328-A332 HydrophobicContact CG1-CB 4Å; P329-A332 HydrophobicContact CB-CB 4.45Å; P329-A332 WeakPolarHBondContact O-CA 3.38Å; P329-A332 WeakPolarHBondContact O-CB 3.47Å; P329-A332 PolarHBondContact O-N 3.25Å; H330-A332 VanDerWaalsContact C-N 3.32Å; H330-A332 PolarHBondContact O-N 3.17Å; A332-I336 HydrophobicContact CB-CD1 4.37Å; A332-I336 VanDerWaalsContact O-CB 3.26Å; A332-I336 WeakPolarHBondContact O-CB 3.47Å; A332-I336 WeakPolarHBondContact O-CG1 3.24Å; A332-I336 PolarHBondContact O-N 2.57Å
333K75.9Confident71.5Confident63 Ų6381.8 Ų81.827%0.27440%0.401SS..Iπ-helixtrans-62.1-54.3170.8-62.6-161.5178.4-164.80111.2V328 P329 H330 L335 I337 D338 E524V328-K333 HydrophobicContact CB-CG 4.23Å; V328-K333 HydrophobicContact CG1-CD 4.48Å; V328-K333 HydrophobicContact CG1-CG 3.6Å; P329-K333 PolarHBondContact O-N 2.85Å; H330-K333 PolarHBondContact O-N 3.24Å; K333-L335 PolarHBondContact O-N 3.39Å; K333-I337 HydrophobicContact CB-CD1 4.49Å; K333-I337 HydrophobicContact CG-CD1 4.25Å; K333-I337 CarbonylContact O-C 3.57Å; K333-I337 VanDerWaalsContact O-CA 3.31Å; K333-I337 WeakPolarHBondContact O-CA 3.26Å; K333-I337 VanDerWaalsContact O-CB 3.26Å; K333-I337 WeakPolarHBondContact O-CB 3.21Å; K333-I337 PolarHBondContact O-N 3.41Å; K333-D338 PolarHBondContact O-N 2.89Å; K333-E524 WeakPolarHBondContact CE-OE2 3.44Å; K333-E524 IonicContact NZ-OE1 2.65Å; K333-E524 PolarHBondContact NZ-OE1 2.93Å; K333-E524 IonicContact NZ-OE2 3.26Å; K333-E524 PolarHBondContact NZ-OE2 3.45Å
334V76.7Confident72.2Confident76 Ų7679.8 Ų79.846%0.46139%0.385SS..Iπ-helixtrans-64.7-41.7-177.7178.20000111.9H330 D338 Y339H330-V334 PolarHBondContact O-N 2.92Å; V334-D338 WeakPolarHBondContact O-CB 3.12Å; V334-Y339 PolarHBondContact O-N 3.42Å
335L78.1Confident72.4Confident88 Ų8877.9 Ų77.946%0.46137%0.374SS..Iπ-helixtrans-74.4-51.4-178-161.4164.6000111.6W331 K333 Y339 M340W331-L335 WeakPolarHBondContact O-CB 3.37Å; W331-L335 PolarHBondContact O-N 2.97Å; K333-L335 PolarHBondContact O-N 3.39Å; L335-Y339 WeakPolarHBondContact O-CB 3.27Å; L335-M340 HydrophobicContact CD2-CG 4.16Å; L335-M340 HydrophobicContact CD2-SD 3.48Å; L335-M340 WeakPolarHBondContact CD2-SD 3.49Å; L335-M340 WeakPolarHBondContact O-CG 3.26Å; L335-M340 PolarHBondContact O-N 3.04Å
336I76.7Confident72.4Confident15 Ų1578.3 Ų78.38%0.07738%0.375CS..Iπ-helixtrans-88.4-48.8-172-49.7177000111.3A332 M340 S341 I528 V531 M532A332-I336 HydrophobicContact CB-CD1 4.37Å; A332-I336 VanDerWaalsContact O-CB 3.26Å; A332-I336 WeakPolarHBondContact O-CB 3.47Å; A332-I336 WeakPolarHBondContact O-CG1 3.24Å; A332-I336 PolarHBondContact O-N 2.57Å; I336-M340 HydrophobicContact CB-SD 4.22Å; I336-M340 HydrophobicContact CG1-SD 3.94Å; I336-M340 HydrophobicContact CG2-SD 4.21Å; I336-S341 PolarHBondContact O-N 2.62Å; I336-I528 HydrophobicContact CD1-CG2 3.83Å; I336-I528 HydrophobicContact CG2-CG2 4.3Å; I336-V531 HydrophobicContact CG2-CB 3.81Å; I336-V531 HydrophobicContact CG2-CG1 3.64Å; I336-M532 HydrophobicContact CD1-CG 4.3Å; I336-M532 HydrophobicContact CD1-SD 4.19Å; I336-M532 HydrophobicContact CG2-CG 4.33Å
337I72.9Confident71.8Confident28 Ų2878 Ų7814%0.14437%0.37CS..Iπ-helixtrans-79.9-36.8-174.3-52.4-179.5000111.8K333 S341 K527 I528K333-I337 HydrophobicContact CB-CD1 4.49Å; K333-I337 HydrophobicContact CG-CD1 4.25Å; K333-I337 CarbonylContact O-C 3.57Å; K333-I337 VanDerWaalsContact O-CA 3.31Å; K333-I337 WeakPolarHBondContact O-CA 3.26Å; K333-I337 VanDerWaalsContact O-CB 3.26Å; K333-I337 WeakPolarHBondContact O-CB 3.21Å; K333-I337 PolarHBondContact O-N 3.41Å; I337-S341 VanDerWaalsContact O-CB 3.27Å; I337-S341 WeakPolarHBondContact O-CB 3.4Å; I337-S341 PolarHBondContact O-OG 2.87Å; I337-K527 HydrophobicContact CG2-CD 4.45Å; I337-I528 HydrophobicContact CD1-CD1 4.17Å; I337-I528 HydrophobicContact CD1-CG1 3.93Å; I337-I528 HydrophobicContact CG1-CG1 3.89Å
338D71.5Confident70.9Confident81 Ų8179.9 Ų79.943%0.43337%0.37SS..Iπ-helixtrans-93.5-35.2-178.9-78.1-58.1000115.1K333 V334 K342K333-D338 PolarHBondContact O-N 2.89Å; V334-D338 WeakPolarHBondContact O-CB 3.12Å; D338-K342 VanDerWaalsContact O-CD 3.25Å; D338-K342 WeakPolarHBondContact O-CD 3.31Å; D338-K342 WeakPolarHBondContact O-CE 3.43Å; D338-K342 PolarHBondContact O-NZ 3.46Å; D338-K342 IonicContact OD1-NZ 3.63Å
339Y76.4Confident69.4Low163 Ų16386.7 Ų86.764%0.63941%0.412SS*.Iπ-helixtrans-98.1-56.5-175.8-170.4-103.8000112.3V334 L335 S341 K342 I343V334-Y339 PolarHBondContact O-N 3.42Å; L335-Y339 WeakPolarHBondContact O-CB 3.27Å; Y339-S341 PolarHBondContact O-N 2.85Å; Y339-K342 PolarHBondContact O-N 3.32Å; Y339-I343 HydrophobicContact CD1-CD1 3.67Å; Y339-I343 HydrophobicContact CE1-CD1 3.39Å; Y339-I343 HydrophobicContact CE2-CD1 4.31Å; Y339-I343 HydrophobicContact CG-CD1 4.25Å; Y339-I343 WeakPolarHBondContact O-CG1 3.37Å; Y339-I343 PolarHBondContact O-N 3.44Å
340M73.6Confident67.6Low18 Ų1886.3 Ų86.39%0.08942%0.417CS..Iπ-helixtrans-65.9-37.3-177.3-65.3168.367.700113.5L335 I336 K342 I343 F344 V531 F535L335-M340 HydrophobicContact CD2-CG 4.16Å; L335-M340 HydrophobicContact CD2-SD 3.48Å; L335-M340 WeakPolarHBondContact CD2-SD 3.49Å; L335-M340 WeakPolarHBondContact O-CG 3.26Å; L335-M340 PolarHBondContact O-N 3.04Å; I336-M340 HydrophobicContact CB-SD 4.22Å; I336-M340 HydrophobicContact CG1-SD 3.94Å; I336-M340 HydrophobicContact CG2-SD 4.21Å; M340-K342 VanDerWaalsContact C-N 3.28Å; M340-K342 PolarHBondContact O-N 3.35Å; M340-I343 PolarHBondContact O-N 2.84Å; M340-F344 HydrophobicContact CB-CD2 4.49Å; M340-F344 WeakPolarHBondContact O-CD2 3.45Å; M340-F344 PolarHBondContact O-N 3.16Å; M340-V531 HydrophobicContact CB-CG1 3.76Å; M340-F535 HydrophobicContact CE-CB 3.45Å; M340-F535 VanDerWaalsContact CE-CB 3.45Å; M340-F535 HydrophobicContact CE-CD1 3.39Å; M340-F535 HydrophobicContact CE-CD2 3.68Å; M340-F535 HydrophobicContact CE-CE1 3.91Å; M340-F535 HydrophobicContact CE-CE2 4.14Å; M340-F535 HydrophobicContact CE-CG 3.23Å; M340-F535 HydrophobicContact CE-CZ 4.23Å
341S71.6Confident66Low15 Ų1588.1 Ų88.111%0.10543%0.426CS..Hα-helixtrans-56.5-41179.168.20000113I336 I337 Y339 F345 V346I336-S341 PolarHBondContact O-N 2.62Å; I337-S341 VanDerWaalsContact O-CB 3.27Å; I337-S341 WeakPolarHBondContact O-CB 3.4Å; I337-S341 PolarHBondContact O-OG 2.87Å; Y339-S341 PolarHBondContact O-N 2.85Å; S341-F345 PolarHBondContact O-N 2.89Å; S341-V346 PolarHBondContact O-N 3.37Å
342K70Confident63.8Low121 Ų12186.8 Ų86.853%0.52643%0.432SS..Hα-helixtrans-71.5-37.7-179.2-61.8-179.2-175.7119.10111.5D338 Y339 M340D338-K342 VanDerWaalsContact O-CD 3.25Å; D338-K342 WeakPolarHBondContact O-CD 3.31Å; D338-K342 WeakPolarHBondContact O-CE 3.43Å; D338-K342 PolarHBondContact O-NZ 3.46Å; D338-K342 IonicContact OD1-NZ 3.63Å; Y339-K342 PolarHBondContact O-N 3.32Å; M340-K342 VanDerWaalsContact C-N 3.28Å; M340-K342 PolarHBondContact O-N 3.35Å
343I72.3Confident62Low83 Ų8393 Ų9343%0.42647%0.473SS..Hα-helixtrans-68.5-40.4178.6-66.2169000111.4Y339 M340Y339-I343 HydrophobicContact CD1-CD1 3.67Å; Y339-I343 HydrophobicContact CE1-CD1 3.39Å; Y339-I343 HydrophobicContact CE2-CD1 4.31Å; Y339-I343 HydrophobicContact CG-CD1 4.25Å; Y339-I343 WeakPolarHBondContact O-CG1 3.37Å; Y339-I343 PolarHBondContact O-N 3.44Å; M340-I343 PolarHBondContact O-N 2.84Å
344F66.3Low60.4Low46 Ų4694.4 Ų94.420%0.20250%0.497CS..THydrogen-bonded Turntrans-100.225.5-177-62.4-72.4000113.9M340 V346 F535 W538M340-F344 HydrophobicContact CB-CD2 4.49Å; M340-F344 WeakPolarHBondContact O-CD2 3.45Å; M340-F344 PolarHBondContact O-N 3.16Å; F344-V346 HydrophobicContact CB-CG2 4.22Å; F344-V346 WeakPolarHBondContact O-CG2 3.49Å; F344-V346 PolarHBondContact O-N 3.02Å; F344-V346 VanDerWaalsContact O-N 3.1Å; F344-F535 HydrophobicContact CD2-CB 4.29Å; F344-F535 HydrophobicContact CD2-CD2 4.31Å; F344-F535 HydrophobicContact CE2-CB 4.27Å; F344-F535 AromaticContact CE2-CD2 3.49Å; F344-F535 HydrophobicContact CE2-CD2 3.49Å; F344-F535 VanDerWaalsContact CE2-CD2 3.49Å; F344-F535 HydrophobicContact CE2-CE2 4.28Å; F344-F535 HydrophobicContact CE2-CG 4.35Å; F344-F535 AromaticContact CZ-CD2 3.69Å; F344-F535 HydrophobicContact CZ-CD2 3.69Å; F344-F535 HydrophobicContact CZ-CE2 4.37Å; F344-W538 HydrophobicContact CD1-CB 4.14Å; F344-W538 AromaticContact CD1-CD1 3.45Å; F344-W538 VanDerWaalsContact CD1-CD1 3.45Å; F344-W538 AromaticContact CD1-CG 3.96Å; F344-W538 HydrophobicContact CD1-CG 3.96Å; F344-W538 HydrophobicContact CE1-CB 3.87Å; F344-W538 HydrophobicContact CE1-CG 4.13Å
345F58.9Low58.3Low154 Ų15495.1 Ų95.168%0.67551%0.505SS*.THydrogen-bonded Turntrans46.941176.6-70.7-93.6000113.8S341 Y347S341-F345 PolarHBondContact O-N 2.89Å; F345-Y347 HydrophobicContact CB-CD2 4.39Å; F345-Y347 HydrophobicContact CD1-CD2 4.14Å; F345-Y347 AromaticContact CD1-CE2 3.76Å; F345-Y347 HydrophobicContact CD1-CE2 3.76Å; F345-Y347 HydrophobicContact CE1-CE2 4.35Å; F345-Y347 PolarHBondContact O-N 3.48Å
346V62.1Low56Low31 Ų3195.1 Ų95.119%0.18853%0.526CS..  trans-84.358.4174.5-160.50000109.7S341 F344 V531 R534S341-V346 PolarHBondContact O-N 3.37Å; F344-V346 HydrophobicContact CB-CG2 4.22Å; F344-V346 WeakPolarHBondContact O-CG2 3.49Å; F344-V346 PolarHBondContact O-N 3.02Å; F344-V346 VanDerWaalsContact O-N 3.1Å; V346-V531 HydrophobicContact CB-CG2 4.22Å; V346-V531 HydrophobicContact CG1-CG2 3.96Å; V346-V531 HydrophobicContact CG2-CG2 4.2Å; V346-R534 HydrophobicContact CG2-CB 4.49Å
347Y51Low53.8Low175 Ų175100.2 Ų100.269%0.68656%0.563SS**  trans-71.6132.4172.7-77.9-88.4000110.3F345F345-Y347 HydrophobicContact CB-CD2 4.39Å; F345-Y347 HydrophobicContact CD1-CD2 4.14Å; F345-Y347 AromaticContact CD1-CE2 3.76Å; F345-Y347 HydrophobicContact CD1-CE2 3.76Å; F345-Y347 HydrophobicContact CE1-CE2 4.35Å; F345-Y347 PolarHBondContact O-N 3.48Å
348E50.9Low51.8Low131 Ų131103.9 Ų103.961%0.61259%0.592SS**  trans-75.8122.3168.1-74.4169.1133.500109.4G350 K527E348-G350 PolarHBondContact O-N 3.5Å; E348-K527 VanDerWaalsContact OE1-CE 3.26Å; E348-K527 WeakPolarHBondContact OE1-CE 3.26Å; E348-K527 IonicContact OE1-NZ 2.75Å; E348-K527 PolarHBondContact OE1-NZ 3.11Å; E348-K527 IonicContact OE2-NZ 2.73Å; E348-K527 PolarHBondContact OE2-NZ 3.07Å
349V41.3Very low49.7Very low153 Ų153105.6 Ų105.693%0.92761%0.61SS**  trans-68.592151.8178.90000104.9
350G41.3Very low47.3Very low43 Ų43102.6 Ų102.644%0.44361%0.613SS.*  trans-69.6143.2-154.400000115.4E348 N352E348-G350 PolarHBondContact O-N 3.5Å; G350-N352 PolarHBondContact O-N 2.96Å
351E41.1Very low45Very low189 Ų189107.2 Ų107.288%0.88365%0.647SS**  trans-73.144.7169.7-64.2-172107.500112.6C353E351-C353 PolarHBondContact O-N 3.12Å
352N36.2Very low42.8Very low146 Ų146112.9 Ų112.978%0.78169%0.686SS**  trans-83.924.4179-81.3-6.5000113.4G350G350-N352 PolarHBondContact O-N 2.96Å
353C37.1Very low40.7Very low133 Ų133111.9 Ų111.990%0.89969%0.694SS**SBendtrans-106.825.7-180-67.20000113.1E351E351-C353 PolarHBondContact O-N 3.12Å
354A41.9Very low38.4Very low94 Ų94116.2 Ų116.278%0.77771%0.712SS**SBendtrans-140.717.3-175.300000115.5
355S34.2Very low36.4Very low91 Ų91123.1 Ų123.164%0.63674%0.739SS**  trans-149.477.7-178.544.30000112.9S357S355-S357 PolarHBondContact O-N 3.43Å
356G28.8Very low34.8Very low88 Ų88122.7 Ų122.791%0.90774%0.743SS**  trans-66.298.7167.400000110.9
357S30.7Very low33Very low122 Ų122128.2 Ų128.285%0.85377%0.766SS**  trans-74.8144.2171.644.10000111S355S355-S357 PolarHBondContact O-N 3.43Å
358S31.2Very low31.7Very low105 Ų105125.8 Ų125.873%0.73477%0.765SS**  trans-113168.4177.957.30000111
359S26.2Very low30.5Very low116 Ų116126.6 Ų126.681%0.81177%0.774SS**  trans73.6141.8-17379.20000115.1
360S26.8Very low29.8Very low101 Ų101128.2 Ų128.271%0.70677%0.769SS**  cis-158.7143.2-5.6280000114.1
361S25.9Very low29Very low115 Ų115132 Ų13280%0.80479%0.787SS**  trans34.4117.9141.3-48.90000121.7
362S25.5Very low28.2Very low133 Ų133131.3 Ų131.393%0.9378%0.783SS**  trans-147.5146.4135.3-79.40000109.1
363S24.8Very low28.1Very low100 Ų100129.7 Ų129.770%0.69978%0.781SS**  trans-122.5145.1-160.254.30000113.4
364H24Very low27.6Very low174 Ų174131 Ų13181%0.80677%0.774SS**  trans-167.6111.7137.4-114.6-84.7000114.2
365Y23.8Very low26.8Very low192 Ų192132.3 Ų132.375%0.75377%0.772SS**  trans25.9135147.1-71-87.8000125.6
366L25.3Very low26.5Very low145 Ų145135.2 Ų135.276%0.75978%0.78SS**  trans68.6150.1149.1-60.4162.6000117.1
367Q25Very low26.4Very low147 Ų147135 Ų13569%0.68777%0.765SS**  cis-142.8-176.913.3-16671.853.700110.3
368D23.9Very low26.3Very low124 Ų124137 Ų13766%0.66376%0.761SS**  trans-52.5171.2175.4-49.7-72.6000115
369D26.4Very low26.2Very low148 Ų148138.6 Ų138.679%0.79176%0.759SS**  cis-160.9-17938.7-146.3-24.6000115.5
370F24.8Very low26.2Very low186 Ų186141.4 Ų141.482%0.81676%0.759SS**  trans-69.1145.5-169.1-88.4-117.5000117.1
371C26.5Very low26.2Very low124 Ų124140.3 Ų140.384%0.83876%0.756SS**  -178.2140.4107.5-103.80000115.9
372H23.9Very low26.4Very low173 Ų173142.9 Ų142.980%0.80176%0.761SS**  trans-97.4177.3159.4-97.8-62.8000109.3
373P33.2Very low26.5Very low112 Ų112140.2 Ų140.273%0.72776%0.755SS**  cis-111.8154.26.810.415.1000113.4
374Q25.9Very low26.8Very low162 Ų162143.2 Ų143.276%0.75776%0.763SS**  78.3132.664.5-147.3-162.27.400114.5
375V26.3Very low27.9Very low121 Ų121140.3 Ų140.373%0.73376%0.759SS**  trans67.2102.2171.2-165.70000117.2
376N27.5Very low28.5Very low152 Ų152139.2 Ų139.281%0.81377%0.766SS**  -155.4169.795.9-141.3-13.2000112.4
377S27.3Very low28.8Very low84 Ų84135.6 Ų135.659%0.58776%0.763SS**  trans-112.6161.8-172.162.90000113.8
378H28.5Very low29.3Very low164 Ų164135.3 Ų135.376%0.75977%0.774SS**  trans69.5113.1153.8-76.1-58.8000121.4
379I29Very low29.4Very low137 Ų137133.2 Ų133.270%0.70378%0.782SS**  119.6136.6119.8-77166.6000118.9
380H26Very low29.6Very low176 Ų176131.3 Ų131.382%0.81578%0.78SS**  trans68.795.4167.4-76.4-49.9000122.2
381A27.4Very low29.7Very low77 Ų77130.8 Ų130.864%0.63678%0.78SS**  67.6119.1109.100000122.1
382N30.2Very low29.7Very low170 Ų170133.8 Ų133.891%0.90978%0.782SS**  trans53.4122.6138.3-61.34.7000121.5
383G26Very low29.8Very low77 Ų77132 Ų13279%0.79478%0.779SS**  trans120.497.4132.500000118.1
384N32.9Very low29.7Very low162 Ų162134 Ų13487%0.86678%0.778SS**  trans-79158.8147.6-84.4-11.7000108.5
385P45.2Very low30Very low114 Ų114133.6 Ų133.674%0.7478%0.776SS**  cis-148-167.144.141.1-18.4000118.3
386L36.7Very low30.2Very low169 Ų169134.9 Ų134.989%0.88577%0.774SS**  trans-35.4166172.1-63.972.7000116.6
387G32Very low30.7Very low68 Ų68135.2 Ų135.270%0.70177%0.77SS**  cis168.9-179.23.600000111.2
388P34.9Very low30.7Very low141 Ų141138.7 Ų138.792%0.91678%0.777SS**  trans-84163.8177.335.6-35.2000112.6
389G27Very low30.5Very low81 Ų81139.7 Ų139.784%0.83577%0.774SS**  trans-159178.9-176.300000116.7
390S29.6Very low30.2Very low107 Ų107143 Ų14375%0.74878%0.779SS**  trans-157.8130177.755.90000112.2
391Q28.1Very low30.7Very low176 Ų176140.3 Ų140.382%0.82278%0.777SS**SBendtrans62.6121.6165.1-64.9178.5-85.900119.6
392E26.4Very low30.9Very low187 Ų187146.7 Ų146.787%0.87479%0.785SS**  trans57.4127.2156.3-60.7175.3164.400117.3
393D26.4Very low30.8Very low136 Ų136144.6 Ų144.673%0.72778%0.781SS**  cis-151.5164.619.3-171.618.1000112.4
394Q31.1Very low30.9Very low154 Ų154148.1 Ų148.172%0.7278%0.776SS**  trans70.8131.7165-45-164.7900123.6
395Q32.2Very low31.5Very low152 Ų152145.9 Ų145.971%0.7177%0.771SS**  trans50.7117.9150-62.1-175.6-2.800123.7
396H30.9Very low30.4Very low149 Ų149146.4 Ų146.469%0.6978%0.777SS**  161.7142.5107.9-90.8-68000118.6
397H36.5Very low29.8Very low159 Ų159146.9 Ų146.974%0.73677%0.772SS**  trans44.5151.8141.7-67.3-42000128.2
398H27.1Very low29.4Very low157 Ų157150.7 Ų150.773%0.72777%0.771SS**  trans-158.3163.3159-103.246000109.9
399R25.4Very low29.1Very low184 Ų184151.5 Ų151.569%0.69476%0.763SS**  cis-177.1114.9-25.5178.4167.5-178.1173.7-0.4113.3
400Y22.9Very low28.9Very low206 Ų206155 Ų15581%0.80876%0.757SS**  trans64.8-175.6165.1-62.1-55.5000118.6
401P35.6Very low28.7Very low120 Ų120156.6 Ų156.678%0.77975%0.753SS**  -131.6-173.2-86.742.7-25000117
402R32.1Very low28.6Very low212 Ų212155.1 Ų155.180%0.875%0.746SS**  trans-50.6148-175-138.9-174.2-165.5170.74.7116.3
403P28Very low28.5Very low126 Ų126155.8 Ų155.882%0.81874%0.74SS**  -138.9-165.199.640.8-29.3000114.6
404Q27.1Very low28.6Very low151 Ų151156.4 Ų156.471%0.70675%0.749SS**  trans-148.2169.7-173.9-154.4-172.6-7.500109
405P46.8Very low28.2Very low115 Ų115155.6 Ų155.675%0.74774%0.743SS**  -111172.1-71.138-26.3000113.3
406S22.1Very low28Very low125 Ų125155.5 Ų155.587%0.87475%0.752SS**  trans-132.8163.9166.3580000112.1
407K23.7Very low27.8Very low178 Ų178154.5 Ų154.577%0.77475%0.748SS**  trans-112.3160.9-170.4-63.6178175.3179.90112.4
408Q24.2Very low27.3Very low148 Ų148155.3 Ų155.369%0.69275%0.751SS**  trans42139137.2-68.1168.2-45.900119.1
409H26.8Very low27.3Very low159 Ų159155.8 Ų155.874%0.73675%0.754SS**  cis-142.8-170.428.2-108-41.2000109.8
410Q23.9Very low27.3Very low153 Ų153154.5 Ų154.572%0.71576%0.759SS**  cis-171.1127.740.5-167.3160.2-10.900114.6
411Q26.1Very low27.4Very low141 Ų141151.9 Ų151.966%0.65976%0.756SS**  trans54.9154.3152.8-68.9171.5-77.600120.2
412H25.7Very low26.9Very low145 Ų145157.4 Ų157.467%0.67176%0.761SS**  cis-150.7144.4-7.3-125-77.9000106.1
413R24.9Very low26.6Very low201 Ų201155 Ų15576%0.75876%0.759SS**  cis9394.514.7-161.4-158.7-175.2-144.23117.3
414V26.8Very low26.5Very low150 Ų150157.7 Ų157.791%0.90976%0.761SS**  trans-131.7159150.9-179.30000109
415K24.3Very low26.4Very low136 Ų136155.5 Ų155.559%0.59176%0.762SS**  trans-100.6157.5-173.8-76.4-178.5163.7-164.40114
416V27Very low25.5Very low150 Ų150156 Ų15691%0.90977%0.769SS**  -129164.2129.5-178.10000107.7
417Q27.1Very low25.7Very low128 Ų128158.4 Ų158.460%0.59877%0.765SS**  trans-135.5144.6-168.6-173.2160.5-4300112.5
418H26Very low25.9Very low176 Ų176158.5 Ų158.582%0.81577%0.774SS**  trans-67.8143.3174.7-81.3-92.2000112.4
419H26.8Very low25.8Very low168 Ų168156.3 Ų156.378%0.77877%0.774SS**  trans-129.5142.6153.9-95.5-94.5000109
420I26.1Very low25.6Very low156 Ų156160.2 Ų160.280%0.878%0.783SS**  trans-119133166-64.7173.5000105.6
421M24.9Very low25.6Very low151 Ų151157.9 Ų157.974%0.74478%0.783SS**  trans-133.7160.4172.4-94.2-64.5-71.900110
422R24.3Very low25.5Very low236 Ų236155.6 Ų155.689%0.89179%0.788SS**  trans-141115.5-166.8167.8-167171.7165.9-1.2109.1
423E25.3Very low25.9Very low161 Ų161155 Ų15575%0.75280%0.797SS**  trans-169.2154.2176.2-102.5154.2-158.700106.3
424E26.8Very low25.9Very low184 Ų184149 Ų14986%0.8680%0.798SS**  cis-154.5155.1-22.5-146.9-175.5-179.900107.7
425S25.4Very low25.8Very low105 Ų105151.5 Ų151.573%0.73479%0.791SS**  trans-112.7105.3-179.958.70000111.2
426S27.5Very low25.8Very low126 Ų126153 Ų15388%0.88179%0.794SS**  trans-83.5142.5-176.7510000113.3
427H26.8Very low25.7Very low174 Ų174154.1 Ų154.181%0.80679%0.79SS**  trans-90.7150.5175.8-72.9-96.8000112
428L26.2Very low25.6Very low181 Ų181151.1 Ų151.195%0.94879%0.793SS**  trans-140138.6158.8-112.5166000109.9
429S22.9Very low25.6Very low101 Ų101148.1 Ų148.171%0.70679%0.792SS**  trans-136.8128.9-161-55.10000112.5
430R23.1Very low25.6Very low241 Ų241147.8 Ų147.891%0.90980%0.796SS**  trans-170113.9157.7-107.2177.9175.2171.3-1.4108.4
431S23.8Very low25.6Very low104 Ų104143.4 Ų143.473%0.72779%0.79SS**  93.910475710000113.1
432A24.1Very low25.6Very low93 Ų93145.7 Ų145.777%0.76980%0.796SS**  trans-81.1175.7163.400000110.5
433P34Very low25.6Very low132 Ų132141.9 Ų141.986%0.85779%0.791SS**  -152.2148.778.838-18.7000118.4
434G24.3Very low25.5Very low75 Ų75139.8 Ų139.877%0.77379%0.79SS**  trans89.1163.9146.500000118.6
435R25.1Very low25.4Very low204 Ų204136.7 Ų136.777%0.7778%0.783SS**  cis-168.8131.1-15.5-150.8-173.2-154.3-163.510.6109.6
436Y24.2Very low25.3Very low167 Ų167135.8 Ų135.866%0.65578%0.777SS**  165.9133.5123.3-101.1-81000114.5
437E24.7Very low25.2Very low173 Ų173137 Ų13781%0.80877%0.774SS**  trans6.9153.7155.6-66.7163.2178.600123.5
438G24.9Very low25Very low66 Ų66134.2 Ų134.268%0.6877%0.773SS**  cis162.2176-4.400000115.9
439S26.1Very low24.9Very low112 Ų112131.4 Ų131.478%0.78377%0.767SS**  trans65.5147.5-179.9-67.50000117.1
440N26.3Very low24.9Very low161 Ų161134.9 Ų134.986%0.86177%0.774SS**  cis-164.4151.4-12.5-101.5-28.4000107.2
441G26.6Very low24.9Very low65 Ų65131.5 Ų131.567%0.6777%0.768SS**  cis167.8153.4-10.100000113.1
442K26Very low25Very low199 Ų199132.8 Ų132.887%0.86577%0.767SS**  trans72.5129.9170.2-61.8-180177.8-179.70118.4
443I24.3Very low25Very low156 Ų156136 Ų13680%0.877%0.766SS**  cis78.3130.410.5-43.5160.8000114.4
444T23.3Very low24.6Very low117 Ų117138.5 Ų138.572%0.71876%0.763SS**  cis-107.8-164.23.754.40000112.5
445T23Very low25.1Very low118 Ų118140.3 Ų140.372%0.72476%0.762SS**  cis73.4153.1941.70000118.9
446S24.7Very low25.7Very low87 Ų87136.7 Ų136.761%0.60877%0.765SS**  cis-165.8-177.2-14.141.60000110.9
447D24.4Very low25.6Very low151 Ų151131.9 Ų131.981%0.80777%0.766SS**  trans88164.6152.6-55-52.9000123.1
448C23.2Very low25.7Very low116 Ų116132.5 Ų132.578%0.78477%0.768SS**  trans-121168.8-158.9-54.40000113.8
449C23.3Very low25.8Very low122 Ų122135.5 Ų135.582%0.82477%0.768SS**  157.6154.3120.9-87.10000116.9
450M23.8Very low25.7Very low174 Ų174138 Ų13886%0.85777%0.767SS**  trans80.2158.1157.4-72.4-62.3174.900122.1
451E23.9Very low25.6Very low170 Ų170136.1 Ų136.179%0.79476%0.757SS**  trans-114.6169-158.1-57.5159.67500113.1
452D24Very low25.5Very low131 Ų131140 Ų14070%0.70176%0.758SS**  -166.5139.4127.6-123.7-28.5000115.7
453Q25.2Very low25.4Very low160 Ų160137.3 Ų137.375%0.74875%0.753SS**  trans53.3145.8148.2-74.3161.862.900122.6
454K25.1Very low25.8Very low184 Ų184139.8 Ų139.880%0.876%0.758SS**  cis-167.3148.7-13.9-167.1169.2-178.2171.20110.9
455P35.6Very low26Very low114 Ų114140 Ų14074%0.7476%0.762SS**  trans-88-170.2179.838.7-39.9000113.1
456P36.5Very low26.1Very low128 Ų128139.9 Ų139.983%0.83177%0.765SS**  cis-132.7-175.413.543.9-25.5000116
457G23.5Very low26.1Very low66 Ų66141.6 Ų141.668%0.6878%0.775SS**  cis139.2145-900000114.1
458H25.5Very low26.5Very low186 Ų186140.7 Ų140.786%0.86178%0.778SS**  trans-164.2160157.5-127.3-85.1000113
459L27.1Very low26.8Very low129 Ų129144.6 Ų144.668%0.67578%0.784SS**  trans-86.6169.7-179.7-50.675.2000111
460E25.7Very low27.1Very low163 Ų163146.2 Ų146.276%0.76279%0.785SS**  cis-160.1176.88.9-144.6151.717800112.3
461D23.7Very low27.4Very low122 Ų122148 Ų14865%0.65279%0.788SS**  trans74.7113.3152.3-98.5-16.2000125
462Q24.7Very low27.6Very low147 Ų147149.2 Ų149.269%0.68779%0.79SS**  82.8133.7128.5-80.8171.861.100125.9
463N24.2Very low28.1Very low143 Ų143148.3 Ų148.377%0.76579%0.792SS**  trans68.7113.8152.8-71.1-24.4000122.5
464F30.8Very low28.5Very low207 Ų207146.4 Ų146.491%0.90879%0.794SS**  trans-76.5145.6156.2-67.4-96000112
465P29Very low28.9Very low121 Ų121143.5 Ų143.579%0.78679%0.793SS**  trans-107.2167.9148.934.8-26.5000111.9
466C24.2Very low29.1Very low116 Ų116147.8 Ų147.878%0.78480%0.803SS**  trans-102.7160.5-166.7-550000115.1
467C24.6Very low28.8Very low124 Ų124144.7 Ų144.784%0.83880%0.795SS**  trans68.9128.1161.5-60.30000118.5
468P32.8Very low29.2Very low132 Ų132147.3 Ų147.386%0.85780%0.8SS**PPolyproline II helixtrans-88.5151.9170.835.8-33.6000113
469E30.5Very low29.5Very low197 Ų197144.7 Ų144.792%0.92180%0.797SS**PPolyproline II helixtrans-88.4159.1176.1-71.5-173.3116.900114.4
470D29.8Very low29.7Very low157 Ų157143.4 Ų143.484%0.8480%0.795SS**PPolyproline II helixtrans-66.1147.3176.6-87.5-63.3000115.4
471K28.7Very low30.1Very low211 Ų211141.9 Ų141.992%0.91780%0.796SS**  trans-144.1105.1150.6-73.8-166.5179.1173.20112.8
472K29.6Very low30.7Very low195 Ų195144.9 Ų144.985%0.84880%0.804SS**  trans-149.8137.8158.1-146.7164.2-173.6176.80110.5
473P33.4Very low31.4Very low113 Ų113141 Ų14173%0.73480%0.803SS**PPolyproline II helixtrans-76.7157.7-174.830.6-36.1000113
474P33.7Very low32.1Very low120 Ų120140.2 Ų140.278%0.77981%0.806SS**PPolyproline II helixtrans-80.2141.9-172.431.7-35.7000113.6
475P32.5Very low32.3Very low122 Ų122134.7 Ų134.779%0.79279%0.792SS**PPolyproline II helixtrans-75.4157.416033.8-33.5000110.8
476Q41.8Very low33.1Very low204 Ų204135.7 Ų135.795%0.95380%0.796SS**PPolyproline II helixtrans-80.3133.5178.2-65.3172.4-2.500110.8
477G29.1Very low33.8Very low63 Ų63139.7 Ų139.765%0.64980%0.8SS**  trans-141160.8177.400000111
478P31Very low34.5Very low122 Ų122138.7 Ų138.779%0.79279%0.793SS**  trans-72.7142.8-162.828.1-35.7000114.2V480P478-V480 PolarHBondContact O-N 3.37Å; P478-V480 VanDerWaalsContact O-N 3.11Å
479T33.4Very low34.7Very low131 Ų131137.2 Ų137.280%0.80479%0.786SS**  trans-66.1104174.5-47.50000111.1T481T479-T481 PolarHBondContact O-N 3.05Å
480V30.3Very low35Very low102 Ų102138.4 Ų138.462%0.61879%0.789SS**  trans-86.1102.1169.8-176.80000109.2P478 F482P478-V480 PolarHBondContact O-N 3.37Å; P478-V480 VanDerWaalsContact O-N 3.11Å; V480-F482 HydrophobicContact CB-CE2 4.14Å; V480-F482 HydrophobicContact CG1-CD2 4.14Å; V480-F482 HydrophobicContact CG1-CE1 4.27Å; V480-F482 HydrophobicContact CG1-CE2 3.6Å; V480-F482 HydrophobicContact CG1-CZ 3.67Å; V480-F482 PolarHBondContact O-N 2.74Å
481T34.8Very low35.3Very low130 Ų130134.7 Ų134.780%0.79879%0.787SS**  trans-76.8107.6172.526.90000110.9T479T479-T481 PolarHBondContact O-N 3.05Å
482F36.2Very low35.5Very low185 Ų185130.4 Ų130.481%0.81178%0.784SS**PPolyproline II helixtrans-82.2134.4167-66.5-83.6000110.4V480V480-F482 HydrophobicContact CB-CE2 4.14Å; V480-F482 HydrophobicContact CG1-CD2 4.14Å; V480-F482 HydrophobicContact CG1-CE1 4.27Å; V480-F482 HydrophobicContact CG1-CE2 3.6Å; V480-F482 HydrophobicContact CG1-CZ 3.67Å; V480-F482 PolarHBondContact O-N 2.74Å
483G40.1Very low36.2Very low65 Ų65124.6 Ų124.667%0.6778%0.779SS**PPolyproline II helixtrans-72.5160.1177.900000113.2
484P36.9Very low36.4Very low127 Ų127129 Ų12983%0.82579%0.787SS**PPolyproline II helixtrans-66.5146.4-179.328.2-35000112.5V486P484-V486 PolarHBondContact O-N 3.02Å
485C36.7Very low37.1Very low92 Ų92128.4 Ų128.462%0.62278%0.783SS**PPolyproline II helixtrans-70.5118.6179.4-174.20000111.6F487 C488C485-F487 PolarHBondContact O-N 3.27Å; C485-F487 VanDerWaalsContact O-N 3.09Å; C485-C488 PolarHBondContact O-N 3.49Å
486V44.3Very low38Very low142 Ų142130.5 Ų130.586%0.86179%0.788SS**THydrogen-bonded Turntrans-63.7-16.9-173.6-179.80000113.6P484P484-V486 PolarHBondContact O-N 3.02Å
487F39.1Very low38.4Very low199 Ų199126.7 Ų126.787%0.87378%0.778SS**THydrogen-bonded Turntrans-91.1-5.6-177.5-114.7-87.8000115.6C485 S489C485-F487 PolarHBondContact O-N 3.27Å; C485-F487 VanDerWaalsContact O-N 3.09Å; F487-S489 PolarHBondContact O-N 3.08Å
488C40.2Very low39.8Very low103 Ų103128.6 Ų128.670%0.69677%0.774SS**  trans-102.260.5-177-66.70000112.3C485C485-C488 PolarHBondContact O-N 3.49Å
489S37.3Very low41.2Very low101 Ų101128.5 Ų128.571%0.70677%0.771SS**  trans-150.248.3178.6-75.70000115.1F487F487-S489 PolarHBondContact O-N 3.08Å
490F35.5Very low42.4Very low223 Ų223129.5 Ų129.598%0.97876%0.764SS**  trans-140.6138146.3-94.6-79.1000107.8
491G37Very low44.1Very low78 Ų78129.5 Ų129.580%0.80476%0.76SS**  trans-137.1154.7-163.900000115.4
492S33.5Very low46Very low121 Ų121127.8 Ų127.885%0.84675%0.75SS**  trans-149.6136.4159.755.40000107.5
493G42.7Very low47.7Very low73 Ų73127.6 Ų127.675%0.75374%0.743SS**  trans-90.7138.6-167.900000114.2
494F37.8Very low49.4Very low206 Ų206128.5 Ų128.590%0.90473%0.733SS**  trans-136.8146.8152.8-89.3-84.5000109
495P48.8Very low51.6Low107 Ų107126.5 Ų126.570%0.69572%0.718SS**  trans-86.5152.6-170.934.2-35.3000113.6
496N50.8Low53.6Low167 Ų167127.8 Ų127.889%0.89372%0.715SS**  trans45.471.8163.2-70.1-9.9000117
497V50.7Low55.4Low124 Ų124128.8 Ų128.875%0.75270%0.704SS**SBendtrans-118.9138.2145.9-179.10000107.6T499V497-T499 PolarHBondContact O-N 3.48Å
498D59.4Low57.4Low102 Ų102124.1 Ų124.155%0.54569%0.687SS.*  trans-55.3106.4-159.6-78.5-82.4000116.1K500 L501 V502D498-K500 PolarHBondContact O-N 2.97Å; D498-L501 HydrophobicContact CB-CB 3.41Å; D498-L501 VanDerWaalsContact CB-CB 3.41Å; D498-L501 WeakPolarHBondContact O-CB 3.39Å; D498-L501 PolarHBondContact O-N 2.76Å; D498-V502 PolarHBondContact O-N 3.48Å
499T59.3Low59.3Low120 Ų120121.1 Ų121.174%0.73667%0.67SS**Hα-helixtrans-58.6-26.5164.754.50000112.3V497 R503V497-T499 PolarHBondContact O-N 3.48Å; T499-R503 WeakPolarHBondContact O-CB 3.42Å; T499-R503 PolarHBondContact O-N 3.48Å
500K58.4Low61.4Low152 Ų152120.1 Ų120.166%0.66166%0.657SS**Hα-helixtrans-70.9-38.8172.3-165178.2-176.8-176.50112.2D498 N504D498-K500 PolarHBondContact O-N 2.97Å; K500-N504 WeakPolarHBondContact O-CB 3.44Å; K500-N504 PolarHBondContact O-N 3.47Å; K500-N504 PolarHBondContact O-OD1 2.88Å
501L66.2Low63.6Low102 Ų102111.8 Ų111.853%0.53463%0.626SS.*Hα-helixtrans-69-45.2175-177.564.2000110.6D498 R503 N504 V505D498-L501 HydrophobicContact CB-CB 3.41Å; D498-L501 VanDerWaalsContact CB-CB 3.41Å; D498-L501 WeakPolarHBondContact O-CB 3.39Å; D498-L501 PolarHBondContact O-N 2.76Å; L501-R503 VanDerWaalsContact C-N 3.33Å; L501-R503 PolarHBondContact O-N 3.42Å; L501-N504 PolarHBondContact O-N 3.22Å; L501-N504 VanDerWaalsContact O-N 3.17Å; L501-V505 HydrophobicContact CD1-CG2 4.26Å; L501-V505 HydrophobicContact CG-CG2 4.39Å; L501-V505 WeakPolarHBondContact O-CB 3.26Å; L501-V505 WeakPolarHBondContact O-CG2 3.42Å; L501-V505 PolarHBondContact O-N 3.03Å
502V74.5Confident65.6Low95 Ų95113.9 Ų113.958%0.57661%0.613SS**Hα-helixtrans-56-48174.91750000110.6D498 N504 V505 E506D498-V502 PolarHBondContact O-N 3.48Å; V502-N504 PolarHBondContact O-N 2.98Å; V502-V505 PolarHBondContact O-N 3.13Å; V502-E506 VanDerWaalsContact O-CB 3.31Å; V502-E506 WeakPolarHBondContact O-CB 3.47Å; V502-E506 PolarHBondContact O-N 3.03Å
503R73Confident67.8Low181 Ų181116.5 Ų116.568%0.68360%0.604SS**Hα-helixtrans-63-39.4176.6-172.7178.7-64.3172.51113.1T499 L501 E506 Y507T499-R503 WeakPolarHBondContact O-CB 3.42Å; T499-R503 PolarHBondContact O-N 3.48Å; L501-R503 VanDerWaalsContact C-N 3.33Å; L501-R503 PolarHBondContact O-N 3.42Å; R503-E506 PolarHBondContact O-N 3.46Å; R503-Y507 WeakPolarHBondContact O-CB 2.99Å; R503-Y507 PolarHBondContact O-N 2.95Å
504N76.3Confident69.5Low83 Ų83119.5 Ų119.544%0.44460%0.599SS.*Hα-helixtrans-67-41.7176.7-72.70.4000111.6K500 L501 V502 Y507 I508K500-N504 WeakPolarHBondContact O-CB 3.44Å; K500-N504 PolarHBondContact O-N 3.47Å; K500-N504 PolarHBondContact O-OD1 2.88Å; L501-N504 PolarHBondContact O-N 3.22Å; L501-N504 VanDerWaalsContact O-N 3.17Å; V502-N504 PolarHBondContact O-N 2.98Å; N504-Y507 PolarHBondContact O-N 3.38Å; N504-I508 WeakPolarHBondContact O-CB 3.5Å; N504-I508 WeakPolarHBondContact O-CD1 3.49Å; N504-I508 VanDerWaalsContact O-CG1 3.22Å; N504-I508 WeakPolarHBondContact O-CG1 3.47Å; N504-I508 PolarHBondContact O-N 3.33Å
505V81.4Confident71.2Confident85 Ų85115.4 Ų115.452%0.51558%0.582SS.*Hα-helixtrans-66.5-39.3176170.70000111L501 V502 I508 A509L501-V505 HydrophobicContact CD1-CG2 4.26Å; L501-V505 HydrophobicContact CG-CG2 4.39Å; L501-V505 WeakPolarHBondContact O-CB 3.26Å; L501-V505 WeakPolarHBondContact O-CG2 3.42Å; L501-V505 PolarHBondContact O-N 3.03Å; V502-V505 PolarHBondContact O-N 3.13Å; V505-I508 PolarHBondContact O-N 3.24Å; V505-A509 WeakPolarHBondContact O-CB 3.29Å; V505-A509 PolarHBondContact O-N 2.98Å
506E79.2Confident72.5Confident120 Ų120117.2 Ų117.256%0.56158%0.579SS**Hα-helixtrans-65-42.8174.5-176.6172.9-14600112.1V502 R503 A509 N510V502-E506 VanDerWaalsContact O-CB 3.31Å; V502-E506 WeakPolarHBondContact O-CB 3.47Å; V502-E506 PolarHBondContact O-N 3.03Å; R503-E506 PolarHBondContact O-N 3.46Å; E506-A509 PolarHBondContact O-N 3.26Å; E506-N510 PolarHBondContact O-N 3.33Å
507Y81.8Confident73.5Confident163 Ų163111.6 Ų111.664%0.63956%0.556SS**Hα-helixtrans-60.4-51.4172.9179.8-98000111.4R503 N504 A509 N510 C511R503-Y507 WeakPolarHBondContact O-CB 2.99Å; R503-Y507 PolarHBondContact O-N 2.95Å; N504-Y507 PolarHBondContact O-N 3.38Å; Y507-A509 VanDerWaalsContact C-N 3.3Å; Y507-A509 PolarHBondContact O-N 3.22Å; Y507-N510 PolarHBondContact O-N 3.48Å; Y507-C511 PolarHBondContact O-N 2.89Å; Y507-C511 PolarHBondContact O-SG 3.43Å; Y507-C511 VanDerWaalsContact O-SG 3.39Å
508I81.9Confident74.4Confident100 Ų100107.1 Ų107.151%0.51353%0.529SS..Hα-helixtrans-57.9-43.1176.7-69.4163.6000110.7N504 V505 C511 F512N504-I508 WeakPolarHBondContact O-CB 3.5Å; N504-I508 WeakPolarHBondContact O-CD1 3.49Å; N504-I508 VanDerWaalsContact O-CG1 3.22Å; N504-I508 WeakPolarHBondContact O-CG1 3.47Å; N504-I508 PolarHBondContact O-N 3.33Å; V505-I508 PolarHBondContact O-N 3.24Å; I508-C511 PolarHBondContact O-N 3.32Å; I508-F512 WeakPolarHBondContact O-CB 3.45Å; I508-F512 PolarHBondContact O-N 3.21Å
509A80.4Confident74.9Confident40 Ų40105.9 Ų105.933%0.33153%0.528SS..Hα-helixtrans-65.8-37.8178.800000112.8V505 E506 Y507 F512 R513V505-A509 WeakPolarHBondContact O-CB 3.29Å; V505-A509 PolarHBondContact O-N 2.98Å; E506-A509 PolarHBondContact O-N 3.26Å; Y507-A509 VanDerWaalsContact C-N 3.3Å; Y507-A509 PolarHBondContact O-N 3.22Å; A509-F512 PolarHBondContact O-N 2.97Å; A509-R513 WeakPolarHBondContact O-CG 3.49Å; A509-R513 PolarHBondContact O-N 2.99Å
510N81.8Confident75.4Confident81 Ų81102.7 Ų102.743%0.43351%0.513SS..Hα-helixtrans-70.3-43.6174.3-84.2-18.8000111.8E506 Y507 F512 R513 E514E506-N510 PolarHBondContact O-N 3.33Å; Y507-N510 PolarHBondContact O-N 3.48Å; N510-F512 VanDerWaalsContact C-N 3.28Å; N510-F512 PolarHBondContact O-N 2.82Å; N510-R513 WeakPolarHBondContact O-CB 3.42Å; N510-R513 PolarHBondContact O-N 3.29Å; N510-R513 VanDerWaalsContact O-N 3.11Å; N510-E514 WeakPolarHBondContact O-CB 3.46Å; N510-E514 PolarHBondContact O-N 3.34Å
511C80.9Confident76Confident48 Ų4899.1 Ų99.132%0.32450%0.498SS..Hα-helixtrans-57.6-41.7171.5-66.70000111.5Y507 I508 R513 E514 Q515Y507-C511 PolarHBondContact O-N 2.89Å; Y507-C511 PolarHBondContact O-SG 3.43Å; Y507-C511 VanDerWaalsContact O-SG 3.39Å; I508-C511 PolarHBondContact O-N 3.32Å; C511-R513 PolarHBondContact O-N 2.71Å; C511-E514 PolarHBondContact O-N 3.09Å; C511-Q515 WeakPolarHBondContact O-CB 3.4Å; C511-Q515 PolarHBondContact O-N 2.89Å
512F79Confident76.3Confident122 Ų12295.1 Ų95.154%0.53548%0.482SS..Hα-helixtrans-66.1-34.7175.7-122.8-80.2000113.2I508 A509 N510 K516I508-F512 WeakPolarHBondContact O-CB 3.45Å; I508-F512 PolarHBondContact O-N 3.21Å; A509-F512 PolarHBondContact O-N 2.97Å; N510-F512 VanDerWaalsContact C-N 3.28Å; N510-F512 PolarHBondContact O-N 2.82Å; F512-K516 VanDerWaalsContact O-CB 3.27Å; F512-K516 WeakPolarHBondContact O-CB 3.43Å; F512-K516 VanDerWaalsContact O-CG 3.26Å; F512-K516 WeakPolarHBondContact O-CG 3.5Å; F512-K516 PolarHBondContact O-N 3.13Å
513R79.5Confident76.3Confident175 Ų17593.5 Ų93.566%0.6648%0.478SS*.Hα-helixtrans-68.9-44.6173.5-75.8175.4-170.1-179.14.8111.6A509 N510 C511 K516 A517A509-R513 WeakPolarHBondContact O-CG 3.49Å; A509-R513 PolarHBondContact O-N 2.99Å; N510-R513 WeakPolarHBondContact O-CB 3.42Å; N510-R513 PolarHBondContact O-N 3.29Å; N510-R513 VanDerWaalsContact O-N 3.11Å; C511-R513 PolarHBondContact O-N 2.71Å; R513-K516 PolarHBondContact O-N 2.66Å; R513-A517 WeakPolarHBondContact O-CB 3.35Å; R513-A517 PolarHBondContact O-N 2.84Å
514E78.1Confident76.5Confident136 Ų13687.9 Ų87.964%0.63646%0.459SS*.Hα-helixtrans-65.6-45.7179.4-175.7161.7-14500110.8N510 C511 K516 A517 T518N510-E514 WeakPolarHBondContact O-CB 3.46Å; N510-E514 PolarHBondContact O-N 3.34Å; C511-E514 PolarHBondContact O-N 3.09Å; E514-K516 PolarHBondContact O-N 2.87Å; E514-A517 PolarHBondContact O-N 2.86Å; E514-T518 WeakPolarHBondContact O-CB 3.39Å; E514-T518 PolarHBondContact O-N 3.28Å; E514-T518 PolarHBondContact O-OG1 2.63Å
515Q74.1Confident76.8Confident120 Ų12085.9 Ų85.956%0.56145%0.446SS*.Hα-helixtrans-60.7-41.9173.1-166.4176.218.400111.7C511 T518 C519C511-Q515 WeakPolarHBondContact O-CB 3.4Å; C511-Q515 PolarHBondContact O-N 2.89Å; Q515-T518 PolarHBondContact O-N 2.71Å; Q515-C519 WeakPolarHBondContact O-CB 3.38Å; Q515-C519 PolarHBondContact O-N 3.16Å; Q515-C519 PolarHBondContact O-SG 2.93Å; Q515-C519 VanDerWaalsContact O-SG 3.35Å
516K75.6Confident76.8Confident145 Ų14585 Ų8563%0.6344%0.435SS*.Hα-helixtrans-63-46.9173-83.3-178.9172.8-173.30112.9F512 R513 E514 T518 C519 A520F512-K516 VanDerWaalsContact O-CB 3.27Å; F512-K516 WeakPolarHBondContact O-CB 3.43Å; F512-K516 VanDerWaalsContact O-CG 3.26Å; F512-K516 WeakPolarHBondContact O-CG 3.5Å; F512-K516 PolarHBondContact O-N 3.13Å; R513-K516 PolarHBondContact O-N 2.66Å; E514-K516 PolarHBondContact O-N 2.87Å; K516-T518 VanDerWaalsContact C-N 3.25Å; K516-T518 PolarHBondContact O-N 3.04Å; K516-C519 PolarHBondContact O-N 2.95Å; K516-A520 WeakPolarHBondContact O-CB 3.48Å; K516-A520 PolarHBondContact O-N 3.15Å
517A72.7Confident76.8Confident50 Ų5082.2 Ų82.241%0.41342%0.421SS..Hα-helixtrans-63.3-35.1178.700000111.8R513 E514 A520 K521R513-A517 WeakPolarHBondContact O-CB 3.35Å; R513-A517 PolarHBondContact O-N 2.84Å; E514-A517 PolarHBondContact O-N 2.86Å; A517-A520 PolarHBondContact O-N 3.18Å; A517-K521 WeakPolarHBondContact O-CG 3.34Å; A517-K521 PolarHBondContact O-N 3.49Å; A517-K521 VanDerWaalsContact O-N 3.11Å
518T69.4Low76.8Confident29 Ų2974.6 Ų74.618%0.17839%0.391CS..Hα-helixtrans-77.8-37.4179-73.70000112.4V323 E514 Q515 K516 A520 K521 G522V323-T518 HydrophobicContact CB-CG2 3.4Å; V323-T518 VanDerWaalsContact CB-CG2 3.4Å; V323-T518 HydrophobicContact CG1-CG2 3.56Å; V323-T518 WeakPolarHBondContact O-CG2 3.36Å; E514-T518 WeakPolarHBondContact O-CB 3.39Å; E514-T518 PolarHBondContact O-N 3.28Å; E514-T518 PolarHBondContact O-OG1 2.63Å; Q515-T518 PolarHBondContact O-N 2.71Å; K516-T518 VanDerWaalsContact C-N 3.25Å; K516-T518 PolarHBondContact O-N 3.04Å; T518-A520 VanDerWaalsContact C-N 3.32Å; T518-A520 PolarHBondContact O-N 3.35Å; T518-K521 PolarHBondContact O-N 3.44Å; T518-K521 PolarHBondContact OG1-NZ 3.23Å; T518-G522 PolarHBondContact O-N 3.14Å
519C68.9Low76.8Confident77 Ų7769.8 Ų69.852%0.5237%0.367SS..Hα-helixtrans-61.2-38.9165.5-74.80000112.2Q515 K516 G522 A523Q515-C519 WeakPolarHBondContact O-CB 3.38Å; Q515-C519 PolarHBondContact O-N 3.16Å; Q515-C519 PolarHBondContact O-SG 2.93Å; Q515-C519 VanDerWaalsContact O-SG 3.35Å; K516-C519 PolarHBondContact O-N 2.95Å; C519-G522 PolarHBondContact O-N 3.43Å; C519-A523 PolarHBondContact O-N 3.03Å
520A70.9Confident77Confident52 Ų5273 Ų7343%0.4337%0.373SS..Hα-helixtrans-63.1-43.2177.200000112.4K516 A517 T518 G522 A523 E524K516-A520 WeakPolarHBondContact O-CB 3.48Å; K516-A520 PolarHBondContact O-N 3.15Å; A517-A520 PolarHBondContact O-N 3.18Å; T518-A520 VanDerWaalsContact C-N 3.32Å; T518-A520 PolarHBondContact O-N 3.35Å; A520-G522 VanDerWaalsContact C-N 3.31Å; A520-G522 PolarHBondContact O-N 3.32Å; A520-A523 WeakPolarHBondContact O-CB 3.2Å; A520-A523 PolarHBondContact O-N 3Å; A520-A523 VanDerWaalsContact O-N 3.17Å; A520-E524 PolarHBondContact O-N 3.17Å
521K71.6Confident77.1Confident77 Ų7769.2 Ų69.234%0.33535%0.353SS..Hα-helixtrans-56.5-44.2171.8-65.7166.3-162.5159.90111.8A517 T518 E524 W525A517-K521 WeakPolarHBondContact O-CG 3.34Å; A517-K521 PolarHBondContact O-N 3.49Å; A517-K521 VanDerWaalsContact O-N 3.11Å; T518-K521 PolarHBondContact O-N 3.44Å; T518-K521 PolarHBondContact OG1-NZ 3.23Å; K521-E524 PolarHBondContact O-N 2.98Å; K521-W525 PolarHBondContact O-N 3.26Å; K521-W525 VanDerWaalsContact O-N 3.16Å
522G71.6Confident77.2Confident19 Ų1967.7 Ų67.720%0.19634%0.341CS..Hα-helixtrans-63.1-39.8176.400000112.7T518 C519 A520 W525 K526T518-G522 PolarHBondContact O-N 3.14Å; C519-G522 PolarHBondContact O-N 3.43Å; A520-G522 VanDerWaalsContact C-N 3.31Å; A520-G522 PolarHBondContact O-N 3.32Å; G522-W525 PolarHBondContact O-N 3.18Å; G522-K526 WeakPolarHBondContact O-CG 3.39Å; G522-K526 PolarHBondContact O-N 2.65Å
523A74.6Confident77.6Confident60 Ų6062.4 Ų62.450%0.49632%0.319SS..Hα-helixtrans-63.7-3917500000112.5C519 A520 K526 K527C519-A523 PolarHBondContact O-N 3.03Å; A520-A523 WeakPolarHBondContact O-CB 3.2Å; A520-A523 PolarHBondContact O-N 3Å; A520-A523 VanDerWaalsContact O-N 3.17Å; A523-K526 PolarHBondContact O-N 3.4Å; A523-K527 WeakPolarHBondContact O-CB 3.38Å; A523-K527 PolarHBondContact O-N 3.34Å
524E78Confident77.8Confident63 Ų6359 Ų5929%0.29431%0.306SS..Hα-helixtrans-61.8-46.1173.5-65.8-166.8133.300112V328 K333 A520 K521 K527 I528V328-E524 HydrophobicContact CG2-CB 3.97Å; K333-E524 WeakPolarHBondContact CE-OE2 3.44Å; K333-E524 IonicContact NZ-OE1 2.65Å; K333-E524 PolarHBondContact NZ-OE1 2.93Å; K333-E524 IonicContact NZ-OE2 3.26Å; K333-E524 PolarHBondContact NZ-OE2 3.45Å; A520-E524 PolarHBondContact O-N 3.17Å; K521-E524 PolarHBondContact O-N 2.98Å; E524-K527 WeakPolarHBondContact O-CB 3.49Å; E524-K527 PolarHBondContact O-N 2.9Å; E524-I528 WeakPolarHBondContact O-CD1 3.12Å; E524-I528 WeakPolarHBondContact O-CG1 3.39Å; E524-I528 PolarHBondContact O-N 3.4Å
525W80.6Confident78.3Confident41 Ų4155.3 Ų55.316%0.15529%0.287CS..Hα-helixtrans-63.3-40.7176-78.4117.9000112.5I318 K326 V328 K521 G522 K527 I528 A529I318-W525 HydrophobicContact CG2-CE3 3.75Å; I318-W525 HydrophobicContact CG2-CZ3 4.14Å; K326-W525 PolarHBondContact O-NE1 3.3Å; V328-W525 HydrophobicContact CG2-CD2 3.73Å; V328-W525 HydrophobicContact CG2-CE3 4.2Å; V328-W525 HydrophobicContact CG2-CG 4.05Å; V328-W525 HydrophobicContact CG2-CZ2 4.06Å; K521-W525 PolarHBondContact O-N 3.26Å; K521-W525 VanDerWaalsContact O-N 3.16Å; G522-W525 PolarHBondContact O-N 3.18Å; W525-K527 PolarHBondContact O-N 3.48Å; W525-I528 HydrophobicContact CE3-CD1 4.1Å; W525-I528 HydrophobicContact CZ3-CD1 4.46Å; W525-I528 PolarHBondContact O-N 3.11Å; W525-A529 PolarHBondContact O-N 2.89Å
526K81.8Confident78.9Confident68 Ų6851.2 Ų51.230%0.29627%0.268SS..Hα-helixtrans-64.3-36172.5-72.7-159.4170-162.80113D259 H319 G522 A523 K530D259-K526 IonicContact OD1-NZ 2.89Å; D259-K526 PolarHBondContact OD1-NZ 3Å; H319-K526 VanDerWaalsContact CE1-CE 3.44Å; H319-K526 WeakPolarHBondContact CE1-CE 3.43Å; H319-K526 PolarHBondContact CE1-NZ 3.28Å; H319-K526 WeakPolarHBondContact NE2-CD 3.34Å; H319-K526 VanDerWaalsContact NE2-CE 3.3Å; H319-K526 WeakPolarHBondContact NE2-CE 3.48Å; G522-K526 WeakPolarHBondContact O-CG 3.39Å; G522-K526 PolarHBondContact O-N 2.65Å; A523-K526 PolarHBondContact O-N 3.4Å; K526-K530 WeakPolarHBondContact O-CG 3.33Å; K526-K530 PolarHBondContact O-N 3.22Å; K526-K530 VanDerWaalsContact O-N 3.09Å
527K79.6Confident79.6Confident61 Ų6145.9 Ų45.927%0.26525%0.246SC..Hα-helixtrans-65.2-42.6174.9-173.3172.8-177.6171.20111I337 E348 A523 E524 W525 K530 V531I337-K527 HydrophobicContact CG2-CD 4.45Å; E348-K527 VanDerWaalsContact OE1-CE 3.26Å; E348-K527 WeakPolarHBondContact OE1-CE 3.26Å; E348-K527 IonicContact OE1-NZ 2.75Å; E348-K527 PolarHBondContact OE1-NZ 3.11Å; E348-K527 IonicContact OE2-NZ 2.73Å; E348-K527 PolarHBondContact OE2-NZ 3.07Å; A523-K527 WeakPolarHBondContact O-CB 3.38Å; A523-K527 PolarHBondContact O-N 3.34Å; E524-K527 WeakPolarHBondContact O-CB 3.49Å; E524-K527 PolarHBondContact O-N 2.9Å; W525-K527 PolarHBondContact O-N 3.48Å; K527-K530 PolarHBondContact O-N 3.2Å; K527-V531 WeakPolarHBondContact O-CG2 3.17Å; K527-V531 PolarHBondContact O-N 3.42Å
528I81.8Confident80.3Confident2 Ų249.4 Ų49.41%0.0125%0.248CC..Hα-helixtrans-60.6-49.4174.8-71.7161.8000111.2I318 V328 I336 I337 E524 W525 K530 V531 M532I318-I528 HydrophobicContact CG2-CG2 4.38Å; V328-I528 HydrophobicContact CB-CD1 4.12Å; V328-I528 HydrophobicContact CG1-CD1 3.37Å; V328-I528 HydrophobicContact CG2-CD1 3.55Å; I336-I528 HydrophobicContact CD1-CG2 3.83Å; I336-I528 HydrophobicContact CG2-CG2 4.3Å; I337-I528 HydrophobicContact CD1-CD1 4.17Å; I337-I528 HydrophobicContact CD1-CG1 3.93Å; I337-I528 HydrophobicContact CG1-CG1 3.89Å; E524-I528 WeakPolarHBondContact O-CD1 3.12Å; E524-I528 WeakPolarHBondContact O-CG1 3.39Å; E524-I528 PolarHBondContact O-N 3.4Å; W525-I528 HydrophobicContact CE3-CD1 4.1Å; W525-I528 HydrophobicContact CZ3-CD1 4.46Å; W525-I528 PolarHBondContact O-N 3.11Å; I528-K530 VanDerWaalsContact C-N 3.31Å; I528-K530 PolarHBondContact O-N 3.45Å; I528-V531 PolarHBondContact O-N 3.39Å; I528-V531 VanDerWaalsContact O-N 3.16Å; I528-M532 HydrophobicContact CG2-CG 4.37Å; I528-M532 HydrophobicContact CG2-SD 3.74Å; I528-M532 WeakPolarHBondContact O-CG 3.26Å; I528-M532 PolarHBondContact O-N 3.39Å
529A82.4Confident81.3Confident0 Ų050.9 Ų50.90%026%0.255CS..Hα-helixtrans-55.9-44.8176.700000112I315 I318 H319 W525 V531 M532 D533I315-A529 HydrophobicContact CG2-CB 3.92Å; I318-A529 HydrophobicContact CG2-CB 4.38Å; H319-A529 HydrophobicContact CB-CB 3.88Å; W525-A529 PolarHBondContact O-N 2.89Å; A529-V531 PolarHBondContact O-N 3.41Å; A529-M532 PolarHBondContact O-N 3.17Å; A529-D533 WeakPolarHBondContact O-CB 3.21Å; A529-D533 PolarHBondContact O-N 2.83Å
530K83.3Confident82.3Confident107 Ų10747.9 Ų47.947%0.46523%0.233SC..Hα-helixtrans-65.6-32.1177.8-72.5173.2-179.8-178.90114K526 K527 I528 R534K526-K530 WeakPolarHBondContact O-CG 3.33Å; K526-K530 PolarHBondContact O-N 3.22Å; K526-K530 VanDerWaalsContact O-N 3.09Å; K527-K530 PolarHBondContact O-N 3.2Å; I528-K530 VanDerWaalsContact C-N 3.31Å; I528-K530 PolarHBondContact O-N 3.45Å; K530-R534 PolarHBondContact O-N 3.34Å
531V83.9Confident83.2Confident1 Ų149.4 Ų49.41%0.00623%0.23CC..Hα-helixtrans-75.6-41.6173.8176.30000111I336 M340 V346 K527 I528 A529 D533 R534 F535I336-V531 HydrophobicContact CG2-CB 3.81Å; I336-V531 HydrophobicContact CG2-CG1 3.64Å; M340-V531 HydrophobicContact CB-CG1 3.76Å; V346-V531 HydrophobicContact CB-CG2 4.22Å; V346-V531 HydrophobicContact CG1-CG2 3.96Å; V346-V531 HydrophobicContact CG2-CG2 4.2Å; K527-V531 WeakPolarHBondContact O-CG2 3.17Å; K527-V531 PolarHBondContact O-N 3.42Å; I528-V531 PolarHBondContact O-N 3.39Å; I528-V531 VanDerWaalsContact O-N 3.16Å; A529-V531 PolarHBondContact O-N 3.41Å; V531-D533 VanDerWaalsContact C-N 3.34Å; V531-D533 PolarHBondContact O-N 3.48Å; V531-R534 PolarHBondContact O-N 2.85Å; V531-F535 WeakPolarHBondContact O-CB 3.44Å; V531-F535 PolarHBondContact O-N 2.88Å
532M83.9Confident84.1Confident17 Ų1749 Ų498%0.08423%0.234CC..Hα-helixtrans-60.1-44.3174.4-71.4174.867.700111.3F314 I315 I318 I336 I528 A529 R534 F535 F536F314-M532 HydrophobicContact CD1-CE 4.28Å; F314-M532 HydrophobicContact CE1-CE 3.95Å; I315-M532 HydrophobicContact CD1-CB 4.41Å; I315-M532 HydrophobicContact CG1-CB 4.33Å; I315-M532 HydrophobicContact CG1-CE 4.17Å; I318-M532 HydrophobicContact CD1-CE 3.79Å; I318-M532 HydrophobicContact CD1-SD 3.97Å; I336-M532 HydrophobicContact CD1-CG 4.3Å; I336-M532 HydrophobicContact CD1-SD 4.19Å; I336-M532 HydrophobicContact CG2-CG 4.33Å; I528-M532 HydrophobicContact CG2-CG 4.37Å; I528-M532 HydrophobicContact CG2-SD 3.74Å; I528-M532 WeakPolarHBondContact O-CG 3.26Å; I528-M532 PolarHBondContact O-N 3.39Å; A529-M532 PolarHBondContact O-N 3.17Å; M532-R534 PolarHBondContact O-N 3.29Å; M532-F535 WeakPolarHBondContact O-CB 3.09Å; M532-F535 PolarHBondContact O-N 3.43Å; M532-F536 HydrophobicContact CB-CD2 4.31Å; M532-F536 HydrophobicContact CB-CE2 4.24Å; M532-F536 HydrophobicContact CE-CE2 4.04Å; M532-F536 WeakPolarHBondContact O-CD2 3.4Å; M532-F536 PolarHBondContact O-N 2.99Å
533D86.4Confident84.9Confident11 Ų1152 Ų526%0.05924%0.244CC..Hα-helixtrans-54.4-52.1174.8-89-25.6000112F254 K263 I315 A529 V531 F535 F536 M537F254-D533 WeakPolarHBondContact O-CB 3.48Å; K263-D533 IonicContact NZ-OD1 3.81Å; K263-D533 PolarHBondContact NZ-OD1 3.46Å; K263-D533 IonicContact NZ-OD2 3.65Å; K263-D533 PolarHBondContact NZ-OD2 2.86Å; I315-D533 WeakPolarHBondContact CD1-OD1 3.3Å; I315-D533 WeakPolarHBondContact CG2-OD1 3.48Å; A529-D533 WeakPolarHBondContact O-CB 3.21Å; A529-D533 PolarHBondContact O-N 2.83Å; V531-D533 VanDerWaalsContact C-N 3.34Å; V531-D533 PolarHBondContact O-N 3.48Å; D533-F535 VanDerWaalsContact C-N 3.34Å; D533-F535 PolarHBondContact O-N 3.35Å; D533-F536 PolarHBondContact O-N 2.84Å; D533-M537 WeakPolarHBondContact O-CB 3.39Å; D533-M537 PolarHBondContact O-N 2.84Å
534R85.3Confident85.6Confident104 Ų10449.5 Ų49.539%0.39222%0.222SC..Hα-helixtrans-64-36.9178.4-72.1178.4174.6-165.91.9112.9V346 K530 V531 M532 W538V346-R534 HydrophobicContact CG2-CB 4.49Å; K530-R534 PolarHBondContact O-N 3.34Å; V531-R534 PolarHBondContact O-N 2.85Å; M532-R534 PolarHBondContact O-N 3.29Å; R534-W538 PolarHBondContact O-N 3.39Å; R534-W538 VanDerWaalsContact O-N 3.12Å
535F86.9Confident86.1Confident57 Ų5751.3 Ų51.325%0.2523%0.229CC..Hα-helixtrans-62.3-52.3174.9167.1-116.1000112.3M340 F344 V531 M532 D533 W538 I539M340-F535 HydrophobicContact CE-CB 3.45Å; M340-F535 VanDerWaalsContact CE-CB 3.45Å; M340-F535 HydrophobicContact CE-CD1 3.39Å; M340-F535 HydrophobicContact CE-CD2 3.68Å; M340-F535 HydrophobicContact CE-CE1 3.91Å; M340-F535 HydrophobicContact CE-CE2 4.14Å; M340-F535 HydrophobicContact CE-CG 3.23Å; M340-F535 HydrophobicContact CE-CZ 4.23Å; F344-F535 HydrophobicContact CD2-CB 4.29Å; F344-F535 HydrophobicContact CD2-CD2 4.31Å; F344-F535 HydrophobicContact CE2-CB 4.27Å; F344-F535 AromaticContact CE2-CD2 3.49Å; F344-F535 HydrophobicContact CE2-CD2 3.49Å; F344-F535 VanDerWaalsContact CE2-CD2 3.49Å; F344-F535 HydrophobicContact CE2-CE2 4.28Å; F344-F535 HydrophobicContact CE2-CG 4.35Å; F344-F535 AromaticContact CZ-CD2 3.69Å; F344-F535 HydrophobicContact CZ-CD2 3.69Å; F344-F535 HydrophobicContact CZ-CE2 4.37Å; V531-F535 WeakPolarHBondContact O-CB 3.44Å; V531-F535 PolarHBondContact O-N 2.88Å; M532-F535 WeakPolarHBondContact O-CB 3.09Å; M532-F535 PolarHBondContact O-N 3.43Å; D533-F535 VanDerWaalsContact C-N 3.34Å; D533-F535 PolarHBondContact O-N 3.35Å; F535-W538 PolarHBondContact O-N 3.43Å; F535-I539 HydrophobicContact CD1-CD1 4.08Å; F535-I539 HydrophobicContact CD2-CD1 3.79Å; F535-I539 HydrophobicContact CE1-CD1 3.67Å; F535-I539 HydrophobicContact CE2-CD1 3.37Å; F535-I539 HydrophobicContact CE2-CG1 4.33Å; F535-I539 HydrophobicContact CG-CD1 4.16Å; F535-I539 HydrophobicContact CZ-CD1 3.31Å; F535-I539 PolarHBondContact O-N 3.11Å
536F87.6Confident86.5Confident35 Ų3553.9 Ų53.915%0.15425%0.245CC..Hα-helixtrans-68.1-36.8179.2-69.9-63000111.8F254 L311 I315 M532 D533 W538 I539 F540F254-F536 HydrophobicContact CD1-CB 4.01Å; F254-F536 HydrophobicContact CE1-CB 3.79Å; F254-F536 HydrophobicContact CE2-CB 4.33Å; F254-F536 HydrophobicContact CG-CB 4.39Å; F254-F536 HydrophobicContact CZ-CB 3.95Å; L311-F536 HydrophobicContact CD1-CD1 3.97Å; L311-F536 HydrophobicContact CD1-CE1 3.94Å; L311-F536 HydrophobicContact CD1-CZ 4.49Å; L311-F536 HydrophobicContact CD2-CE1 4.32Å; L311-F536 HydrophobicContact CD2-CZ 4.1Å; I315-F536 HydrophobicContact CD1-CD2 3.69Å; I315-F536 HydrophobicContact CD1-CE2 4.22Å; M532-F536 HydrophobicContact CB-CD2 4.31Å; M532-F536 HydrophobicContact CB-CE2 4.24Å; M532-F536 HydrophobicContact CE-CE2 4.04Å; M532-F536 WeakPolarHBondContact O-CD2 3.4Å; M532-F536 PolarHBondContact O-N 2.99Å; D533-F536 PolarHBondContact O-N 2.84Å; F536-W538 VanDerWaalsContact C-N 3.35Å; F536-W538 PolarHBondContact O-N 2.89Å; F536-I539 HydrophobicContact CD1-CD1 4.44Å; F536-I539 PolarHBondContact O-N 3.36Å; F536-F540 HydrophobicContact CB-CD2 4.18Å; F536-F540 HydrophobicContact CB-CE2 4.32Å; F536-F540 HydrophobicContact CD1-CE2 4.38Å; F536-F540 WeakPolarHBondContact O-CB 3.37Å; F536-F540 VanDerWaalsContact O-CD2 3.24Å; F536-F540 WeakPolarHBondContact O-CD2 3.18Å; F536-F540 PolarHBondContact O-N 2.91Å
537M89.3Confident86.7Confident33 Ų3353.8 Ų53.816%0.16325%0.247CC..Hα-helixtrans-51.8-51.4170.9-173-160.776.300111.4F254 Y255 D533 F541F254-M537 HydrophobicContact CB-CB 3.73Å; F254-M537 HydrophobicContact CB-CG 4.32Å; F254-M537 HydrophobicContact CG-CB 4.49Å; Y255-M537 HydrophobicContact CD2-SD 3.91Å; D533-M537 WeakPolarHBondContact O-CB 3.39Å; D533-M537 PolarHBondContact O-N 2.84Å; M537-F541 WeakPolarHBondContact O-CB 3.41Å; M537-F541 PolarHBondContact O-N 3.19Å
538W88.4Confident86.9Confident123 Ų12351.3 Ų51.347%0.46624%0.237SC..Hα-helixtrans-67.5-38.7179.6-80.9111.4000112.9F344 R534 F535 F536 F541 V542F344-W538 HydrophobicContact CD1-CB 4.14Å; F344-W538 AromaticContact CD1-CD1 3.45Å; F344-W538 VanDerWaalsContact CD1-CD1 3.45Å; F344-W538 AromaticContact CD1-CG 3.96Å; F344-W538 HydrophobicContact CD1-CG 3.96Å; F344-W538 HydrophobicContact CE1-CB 3.87Å; F344-W538 HydrophobicContact CE1-CG 4.13Å; R534-W538 PolarHBondContact O-N 3.39Å; R534-W538 VanDerWaalsContact O-N 3.12Å; F535-W538 PolarHBondContact O-N 3.43Å; F536-W538 VanDerWaalsContact C-N 3.35Å; F536-W538 PolarHBondContact O-N 2.89Å; W538-F541 HydrophobicContact CE3-CD1 4.46Å; W538-F541 HydrophobicContact CZ3-CD1 4.41Å; W538-V542 WeakPolarHBondContact O-CB 3.39Å; W538-V542 VanDerWaalsContact O-CG2 3.29Å; W538-V542 WeakPolarHBondContact O-CG2 3.26Å; W538-V542 PolarHBondContact O-N 2.87Å
539I89.6Confident87.1Confident61 Ų6155.3 Ų55.331%0.31326%0.258SS..Hα-helixtrans-61.3-54.8174.3-72.8163.6000110.8F535 F536 F541 V542 M543F535-I539 HydrophobicContact CD1-CD1 4.08Å; F535-I539 HydrophobicContact CD2-CD1 3.79Å; F535-I539 HydrophobicContact CE1-CD1 3.67Å; F535-I539 HydrophobicContact CE2-CD1 3.37Å; F535-I539 HydrophobicContact CE2-CG1 4.33Å; F535-I539 HydrophobicContact CG-CD1 4.16Å; F535-I539 HydrophobicContact CZ-CD1 3.31Å; F535-I539 PolarHBondContact O-N 3.11Å; F536-I539 HydrophobicContact CD1-CD1 4.44Å; F536-I539 PolarHBondContact O-N 3.36Å; I539-F541 VanDerWaalsContact C-N 3.34Å; I539-F541 PolarHBondContact O-N 2.96Å; I539-V542 PolarHBondContact O-N 3.33Å; I539-M543 HydrophobicContact CG2-CG 4.4Å; I539-M543 HydrophobicContact CG2-SD 3.91Å; I539-M543 WeakPolarHBondContact O-CG 3.27Å; I539-M543 PolarHBondContact O-N 3.09Å
540F89.9Confident87.2Confident13 Ų1360.4 Ų60.46%0.05729%0.285CS..Hα-helixtrans-66-35.9-178-77.5-69.8000112P251 F254 M304 A307 L311 F536 M543 V544P251-F540 HydrophobicContact CG-CB 4.24Å; F254-F540 HydrophobicContact CD2-CD2 4.23Å; F254-F540 HydrophobicContact CE2-CB 4.39Å; F254-F540 AromaticContact CE2-CD2 3.28Å; F254-F540 HydrophobicContact CE2-CD2 3.28Å; F254-F540 AromaticContact CE2-CE2 3.79Å; F254-F540 HydrophobicContact CE2-CE2 3.79Å; F254-F540 HydrophobicContact CE2-CG 4.05Å; F254-F540 AromaticContact CZ-CD2 3.67Å; F254-F540 HydrophobicContact CZ-CD2 3.67Å; F254-F540 AromaticContact CZ-CE2 3.67Å; F254-F540 HydrophobicContact CZ-CE2 3.67Å; M304-F540 HydrophobicContact CG-CD1 3.58Å; M304-F540 HydrophobicContact CG-CE1 3.66Å; M304-F540 HydrophobicContact SD-CD1 4.09Å; A307-F540 HydrophobicContact CB-CZ 4.39Å; L311-F540 HydrophobicContact CD1-CE2 3.74Å; L311-F540 HydrophobicContact CD1-CZ 3.85Å; F536-F540 HydrophobicContact CB-CD2 4.18Å; F536-F540 HydrophobicContact CB-CE2 4.32Å; F536-F540 HydrophobicContact CD1-CE2 4.38Å; F536-F540 WeakPolarHBondContact O-CB 3.37Å; F536-F540 VanDerWaalsContact O-CD2 3.24Å; F536-F540 WeakPolarHBondContact O-CD2 3.18Å; F536-F540 PolarHBondContact O-N 2.91Å; F540-M543 PolarHBondContact O-N 3.48Å; F540-V544 WeakPolarHBondContact O-CB 3.5Å; F540-V544 VanDerWaalsContact O-CG2 3.3Å; F540-V544 WeakPolarHBondContact O-CG2 3.35Å; F540-V544 PolarHBondContact O-N 3.37Å
541F90.2Very high87Confident84 Ų8456.5 Ų56.537%0.36827%0.269SS..Hα-helixtrans-61.6-47.5173.1-176.9-93.9000111.8F248 P251 M537 W538 I539 M543 V544 F545F248-F541 HydrophobicContact CD1-CE2 4.26Å; F248-F541 HydrophobicContact CE1-CE2 4.22Å; P251-F541 HydrophobicContact CB-CB 4.16Å; P251-F541 HydrophobicContact CG-CB 4.39Å; M537-F541 WeakPolarHBondContact O-CB 3.41Å; M537-F541 PolarHBondContact O-N 3.19Å; W538-F541 HydrophobicContact CE3-CD1 4.46Å; W538-F541 HydrophobicContact CZ3-CD1 4.41Å; I539-F541 VanDerWaalsContact C-N 3.34Å; I539-F541 PolarHBondContact O-N 2.96Å; F541-M543 VanDerWaalsContact C-N 3.35Å; F541-M543 PolarHBondContact O-N 3.39Å; F541-V544 PolarHBondContact O-N 3.47Å; F541-F545 WeakPolarHBondContact O-CB 3.44Å; F541-F545 PolarHBondContact O-N 3.48Å
542V90Very high86.7Confident70 Ų7061.2 Ų61.242%0.42429%0.293SS..Hα-helixtrans-64.1-39.2176.5170.10000111.3W538 I539 F545 L546W538-V542 WeakPolarHBondContact O-CB 3.39Å; W538-V542 VanDerWaalsContact O-CG2 3.29Å; W538-V542 WeakPolarHBondContact O-CG2 3.26Å; W538-V542 PolarHBondContact O-N 2.87Å; I539-V542 PolarHBondContact O-N 3.33Å; V542-F545 PolarHBondContact O-N 3.32Å; V542-L546 HydrophobicContact CG1-CD1 3.72Å; V542-L546 HydrophobicContact CG1-CG 4.22Å; V542-L546 WeakPolarHBondContact O-CB 3.33Å; V542-L546 VanDerWaalsContact O-CG 3.24Å; V542-L546 WeakPolarHBondContact O-CG 3.2Å; V542-L546 PolarHBondContact O-N 3.35Å
543M89.4Confident86.4Confident81 Ų8163 Ų6340%0.39932%0.317SS..Hα-helixtrans-65.5-46.7176.1-71.6-176.972.800112.6M304 I539 F540 F541 M547M304-M543 HydrophobicContact CE-CB 3.96Å; M304-M543 HydrophobicContact CE-CE 4.41Å; M304-M543 HydrophobicContact SD-CB 3.91Å; I539-M543 HydrophobicContact CG2-CG 4.4Å; I539-M543 HydrophobicContact CG2-SD 3.91Å; I539-M543 WeakPolarHBondContact O-CG 3.27Å; I539-M543 PolarHBondContact O-N 3.09Å; F540-M543 PolarHBondContact O-N 3.48Å; F541-M543 VanDerWaalsContact C-N 3.35Å; F541-M543 PolarHBondContact O-N 3.39Å; M543-M547 WeakPolarHBondContact O-CB 3.42Å; M543-M547 VanDerWaalsContact O-CG 3.23Å; M543-M547 WeakPolarHBondContact O-CG 3.2Å; M543-M547 PolarHBondContact O-N 2.85Å
544V88.9Confident85.7Confident8 Ų869 Ų695%0.04834%0.342CS..Hα-helixtrans-61.7-44.1175.7171.90000110.5F248 P251 M304 F540 F541 M547 S548F248-V544 HydrophobicContact CD1-CG1 3.8Å; F248-V544 HydrophobicContact CD2-CG1 4.46Å; F248-V544 HydrophobicContact CE1-CG1 3.71Å; F248-V544 HydrophobicContact CE2-CG1 4.37Å; F248-V544 HydrophobicContact CG-CG1 4.18Å; F248-V544 HydrophobicContact CZ-CG1 4Å; P251-V544 HydrophobicContact CG-CG2 4.14Å; M304-V544 HydrophobicContact SD-CG2 3.57Å; M304-V544 VanDerWaalsContact SD-CG2 3.57Å; F540-V544 WeakPolarHBondContact O-CB 3.5Å; F540-V544 VanDerWaalsContact O-CG2 3.3Å; F540-V544 WeakPolarHBondContact O-CG2 3.35Å; F540-V544 PolarHBondContact O-N 3.37Å; F541-V544 PolarHBondContact O-N 3.47Å; V544-M547 PolarHBondContact O-N 3.48Å; V544-S548 WeakPolarHBondContact O-CB 3.31Å; V544-S548 PolarHBondContact O-N 3.41Å; V544-S548 PolarHBondContact O-OG 2.83Å
545F88.1Confident84.5Confident101 Ų10165.2 Ų65.244%0.44333%0.333SS..Hα-helixtrans-63.1-47.6179.1-175.9-107.1000112.5F541 V542 S548 I549F541-F545 WeakPolarHBondContact O-CB 3.44Å; F541-F545 PolarHBondContact O-N 3.48Å; V542-F545 PolarHBondContact O-N 3.32Å; F545-S548 PolarHBondContact O-N 3.11Å; F545-I549 HydrophobicContact CD1-CD1 3.84Å; F545-I549 HydrophobicContact CE1-CD1 3.41Å; F545-I549 VanDerWaalsContact CE1-CD1 3.41Å; F545-I549 HydrophobicContact CE2-CD1 4.15Å; F545-I549 HydrophobicContact CG-CD1 4.39Å; F545-I549 HydrophobicContact CZ-CD1 3.59Å; F545-I549 WeakPolarHBondContact O-CG1 3.45Å; F545-I549 PolarHBondContact O-N 3.36Å
546L89.1Confident82.9Confident94 Ų9474.3 Ų74.349%0.49237%0.373SS..Hα-helixtrans-64.1-42.2176.3-71.8173.3000112V542 S548 I549 L550V542-L546 HydrophobicContact CG1-CD1 3.72Å; V542-L546 HydrophobicContact CG1-CG 4.22Å; V542-L546 WeakPolarHBondContact O-CB 3.33Å; V542-L546 VanDerWaalsContact O-CG 3.24Å; V542-L546 WeakPolarHBondContact O-CG 3.2Å; V542-L546 PolarHBondContact O-N 3.35Å; L546-S548 VanDerWaalsContact C-N 3.34Å; L546-S548 PolarHBondContact O-N 3.43Å; L546-I549 PolarHBondContact O-N 2.91Å; L546-L550 WeakPolarHBondContact O-CB 3.46Å; L546-L550 VanDerWaalsContact O-CG 3.28Å; L546-L550 WeakPolarHBondContact O-CG 3.37Å; L546-L550 PolarHBondContact O-N 3.48Å
547M85.8Confident82.7Confident67 Ų6776.3 Ų76.333%0.3338%0.384SS..Hα-helixtrans-63.5-40.1175.3-71.9-64.7178.200111.9Y297 M304 M543 V544 L550 V551Y297-M547 HydrophobicContact CE2-CB 4.4Å; M304-M547 HydrophobicContact CE-CG 3.99Å; M543-M547 WeakPolarHBondContact O-CB 3.42Å; M543-M547 VanDerWaalsContact O-CG 3.23Å; M543-M547 WeakPolarHBondContact O-CG 3.2Å; M543-M547 PolarHBondContact O-N 2.85Å; V544-M547 PolarHBondContact O-N 3.48Å; M547-L550 PolarHBondContact O-N 2.92Å; M547-L550 HydrophobicContact SD-CD1 4.34Å; M547-V551 WeakPolarHBondContact O-CG2 3.22Å; M547-V551 PolarHBondContact O-N 3.07Å
548S84.8Confident82.3Confident8 Ų878.5 Ų78.56%0.05640%0.395CS..Hα-helixtrans-63.7-42.8177.1-57.40000111.6V544 F545 L546 V551 I552V544-S548 WeakPolarHBondContact O-CB 3.31Å; V544-S548 PolarHBondContact O-N 3.41Å; V544-S548 PolarHBondContact O-OG 2.83Å; F545-S548 PolarHBondContact O-N 3.11Å; L546-S548 VanDerWaalsContact C-N 3.34Å; L546-S548 PolarHBondContact O-N 3.43Å; S548-V551 PolarHBondContact O-N 3.41Å; S548-I552 VanDerWaalsContact O-CG1 3.3Å; S548-I552 WeakPolarHBondContact O-CG1 3.32Å; S548-I552 PolarHBondContact O-N 3.46Å
549I85.8Confident82Confident86 Ų8676.1 Ų76.144%0.44139%0.391SS..Hα-helixtrans-64.2-40.1173.6-72172.5000111.5F545 L546 V551 I552 G553F545-I549 HydrophobicContact CD1-CD1 3.84Å; F545-I549 HydrophobicContact CE1-CD1 3.41Å; F545-I549 VanDerWaalsContact CE1-CD1 3.41Å; F545-I549 HydrophobicContact CE2-CD1 4.15Å; F545-I549 HydrophobicContact CG-CD1 4.39Å; F545-I549 HydrophobicContact CZ-CD1 3.59Å; F545-I549 WeakPolarHBondContact O-CG1 3.45Å; F545-I549 PolarHBondContact O-N 3.36Å; L546-I549 PolarHBondContact O-N 2.91Å; I549-V551 PolarHBondContact O-N 3.32Å; I549-I552 PolarHBondContact O-N 2.98Å; I549-G553 WeakPolarHBondContact O-CA 3.4Å; I549-G553 PolarHBondContact O-N 3.17Å
550L84.1Confident81.5Confident108 Ų10876.9 Ų76.957%0.56540%0.396SS*.Hα-helixtrans-65.6-36.1178.2-75.1168.7000112.6L546 M547 K554L546-L550 WeakPolarHBondContact O-CB 3.46Å; L546-L550 VanDerWaalsContact O-CG 3.28Å; L546-L550 WeakPolarHBondContact O-CG 3.37Å; L546-L550 PolarHBondContact O-N 3.48Å; M547-L550 PolarHBondContact O-N 2.92Å; M547-L550 HydrophobicContact SD-CD1 4.34Å; L550-K554 WeakPolarHBondContact O-CB 3.4Å; L550-K554 VanDerWaalsContact O-CG 3.26Å; L550-K554 WeakPolarHBondContact O-CG 3.44Å; L550-K554 PolarHBondContact O-N 2.83Å
551V80.1Confident81Confident24 Ų2480.9 Ų80.915%0.14542%0.417CS..Hα-helixtrans-68.3-50.6172.9176.10000110.6L240 F244 Y297 M547 S548 I549 G553 K554 A555L240-V551 HydrophobicContact CD2-CG1 4.05Å; F244-V551 HydrophobicContact CE1-CB 4.37Å; F244-V551 HydrophobicContact CZ-CB 4.12Å; F244-V551 HydrophobicContact CZ-CG1 3.9Å; Y297-V551 HydrophobicContact CD1-CG2 4.32Å; Y297-V551 HydrophobicContact CD2-CG2 3.42Å; Y297-V551 VanDerWaalsContact CD2-CG2 3.42Å; Y297-V551 HydrophobicContact CE2-CG2 3.91Å; Y297-V551 HydrophobicContact CG-CG2 3.66Å; M547-V551 WeakPolarHBondContact O-CG2 3.22Å; M547-V551 PolarHBondContact O-N 3.07Å; S548-V551 PolarHBondContact O-N 3.41Å; I549-V551 PolarHBondContact O-N 3.32Å; V551-G553 VanDerWaalsContact C-N 3.28Å; V551-G553 PolarHBondContact O-N 2.94Å; V551-K554 CarbonylContact O-C 3.58Å; V551-K554 PolarHBondContact O-N 3.2Å; V551-A555 WeakPolarHBondContact O-CB 3.44Å; V551-A555 PolarHBondContact O-N 3.07Å
552I77.9Confident80.4Confident100 Ų10080.7 Ų80.751%0.51342%0.42SS..Hα-helixtrans-65-33-178.6-64.3166.2000111.6F244 S548 I549 K554 A555F244-I552 HydrophobicContact CE2-CD1 4.38Å; F244-I552 HydrophobicContact CE2-CG1 4.31Å; F244-I552 HydrophobicContact CZ-CD1 4.4Å; F244-I552 HydrophobicContact CZ-CG1 4.13Å; S548-I552 VanDerWaalsContact O-CG1 3.3Å; S548-I552 WeakPolarHBondContact O-CG1 3.32Å; S548-I552 PolarHBondContact O-N 3.46Å; I549-I552 PolarHBondContact O-N 2.98Å; I552-K554 VanDerWaalsContact C-N 3.27Å; I552-K554 PolarHBondContact O-N 3.25Å; I552-A555 PolarHBondContact O-N 2.99Å
553G77.5Confident79.7Confident56 Ų5681.5 Ų81.558%0.57742%0.42SS*.THydrogen-bonded Turntrans-79.2-2.4173.900000115I549 V551I549-G553 WeakPolarHBondContact O-CA 3.4Å; I549-G553 PolarHBondContact O-N 3.17Å; V551-G553 VanDerWaalsContact C-N 3.28Å; V551-G553 PolarHBondContact O-N 2.94Å
554K71.4Confident78.9Confident136 Ų13681.5 Ų81.559%0.59142%0.422SS*.THydrogen-bonded Turntrans-112.50.2169-74.3-71.8-173.31770112.9L293 L550 V551 I552 K556L293-K554 HydrophobicContact CD2-CB 3.84Å; L550-K554 WeakPolarHBondContact O-CB 3.4Å; L550-K554 VanDerWaalsContact O-CG 3.26Å; L550-K554 WeakPolarHBondContact O-CG 3.44Å; L550-K554 PolarHBondContact O-N 2.83Å; V551-K554 CarbonylContact O-C 3.58Å; V551-K554 PolarHBondContact O-N 3.2Å; I552-K554 VanDerWaalsContact C-N 3.27Å; I552-K554 PolarHBondContact O-N 3.25Å; K554-K556 VanDerWaalsContact C-N 3.27Å
555A59.9Low78.1Confident25 Ų2587.7 Ų87.721%0.20745%0.453CS..  trans-94.421.3173.200000112F159 V551 I552F159-A555 HydrophobicContact CD2-CB 4.13Å; F159-A555 HydrophobicContact CE1-CB 4.2Å; F159-A555 HydrophobicContact CE2-CB 3.4Å; F159-A555 HydrophobicContact CZ-CB 3.45Å; F159-A555 VanDerWaalsContact CZ-CB 3.45Å; V551-A555 WeakPolarHBondContact O-CB 3.44Å; V551-A555 PolarHBondContact O-N 3.07Å; I552-A555 PolarHBondContact O-N 2.99Å
556K53Low77.2Confident247 Ų24786.5 Ų86.5100%1.07445%0.454SS*.  trans-149.10178.3-79.2-167.4173.5-170.40108.8K554K554-K556 VanDerWaalsContact C-N 3.27Å

Retrieved 556 of 556 residues in 633.1 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).