A0A087YR17_POEFO Loading...

Zinc finger and BTB domain containing 34

AlphaFold DB , UniProt , Accession A0A087YR17, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 512 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
1N38.2Very low53.2Low217 Ų217133.8 Ų133.8100%1.1674%0.743SS**  061.20-58.77.1000112.4
2K42Very low54.8Low202 Ų202129.5 Ų129.588%0.87872%0.718SS**  trans-149.798.7163.7-74.1-170.2179.1-177.10106.6
3N44.6Very low56.2Low166 Ų166130.9 Ų130.989%0.88871%0.712SS**SBendtrans169.934165.1-91.10.6000112.3
4C47.6Very low57.3Low114 Ų114129.3 Ų129.377%0.7770%0.701SS**  trans-137.251.1-177.6-55.40000112.1
5F45.1Very low58.2Low215 Ų215128.7 Ų128.794%0.94369%0.692SS**SBendtrans-137.47.5179.7-104.6-76.3000114.8
6C53Low59.2Low126 Ų126128.5 Ų128.585%0.85168%0.683SS**SBendtrans-98.10.1-177-1440000113.9
7S58.2Low59.7Low70 Ų70128.1 Ų128.149%0.4968%0.676SS.*  trans-97.3-35.8-161.850.10000116.6A10 V11S7-A10 WeakPolarHBondContact O-CB 3.45Å; S7-A10 PolarHBondContact O-N 3.37Å; S7-A10 VanDerWaalsContact O-N 3.08Å; S7-V11 WeakPolarHBondContact O-CG2 3.37Å; S7-V11 PolarHBondContact O-N 3.33Å
8S59.7Low60.2Low81 Ų81126.6 Ų126.657%0.56667%0.667SS**Hα-helixtrans-52.8-67.5-170.3-168.70000112.5A10 V11 D12S8-A10 PolarHBondContact O-N 3.24Å; S8-V11 CarbonylContact O-C 3.58Å; S8-V11 PolarHBondContact O-N 3Å; S8-D12 PolarHBondContact O-N 2.96Å; S8-D12 PolarHBondContact OG-OD2 3.06Å
9Q61.2Low60.6Low147 Ų147128.5 Ų128.569%0.68767%0.672SS**Hα-helixtrans-62.8-12.9-179.8-73-170.5-9.100115D12 K13Q9-D12 WeakPolarHBondContact CA-OD2 3.34Å; Q9-D12 PolarHBondContact N-OD2 2.88Å; Q9-K13 VanDerWaalsContact O-CD 3.25Å; Q9-K13 WeakPolarHBondContact O-CD 3.46Å; Q9-K13 WeakPolarHBondContact O-CG 3.27Å
10A65.3Low61Low57 Ų57127.5 Ų127.547%0.47166%0.664SS.*Hα-helixtrans-84.8-42.1172.700000111S7 S8 L14S7-A10 WeakPolarHBondContact O-CB 3.45Å; S7-A10 PolarHBondContact O-N 3.37Å; S7-A10 VanDerWaalsContact O-N 3.08Å; S8-A10 PolarHBondContact O-N 3.24Å; A10-L14 VanDerWaalsContact O-CB 3.31Å; A10-L14 WeakPolarHBondContact O-CB 3.34Å; A10-L14 PolarHBondContact O-N 3.44Å
11V70.6Confident61.3Low77 Ų77126.3 Ų126.347%0.46766%0.656SS.*Hα-helixtrans-65.3-49.1172.4173.10000110.2S7 S8 K13 L14 E15S7-V11 WeakPolarHBondContact O-CG2 3.37Å; S7-V11 PolarHBondContact O-N 3.33Å; S8-V11 CarbonylContact O-C 3.58Å; S8-V11 PolarHBondContact O-N 3Å; V11-K13 PolarHBondContact O-N 3.26Å; V11-K13 VanDerWaalsContact O-N 3.13Å; V11-L14 PolarHBondContact O-N 2.88Å; V11-E15 VanDerWaalsContact O-CB 3.29Å; V11-E15 WeakPolarHBondContact O-CB 3.49Å; V11-E15 PolarHBondContact O-N 3.45Å
12D72.3Confident62.4Low82 Ų82122.8 Ų122.844%0.43964%0.637SS.*Hα-helixtrans-56-34.5179.5-50.8-32.7000112S8 Q9 K16S8-D12 PolarHBondContact O-N 2.96Å; S8-D12 PolarHBondContact OG-OD2 3.06Å; Q9-D12 WeakPolarHBondContact CA-OD2 3.34Å; Q9-D12 PolarHBondContact N-OD2 2.88Å; D12-K16 WeakPolarHBondContact O-CB 3.39Å; D12-K16 PolarHBondContact O-N 3.17Å
13K72.9Confident63.5Low148 Ų148121.9 Ų121.964%0.64364%0.642SS**Hα-helixtrans-77.5-43.3175.2-75.5174.8-173.1172.90112.6Q9 V11 K16 H17Q9-K13 VanDerWaalsContact O-CD 3.25Å; Q9-K13 WeakPolarHBondContact O-CD 3.46Å; Q9-K13 WeakPolarHBondContact O-CG 3.27Å; V11-K13 PolarHBondContact O-N 3.26Å; V11-K13 VanDerWaalsContact O-N 3.13Å; K13-K16 PolarHBondContact O-N 3.41Å; K13-H17 PolarHBondContact O-N 3.33Å
14L71.9Confident64.6Low108 Ų108117.1 Ų117.157%0.56563%0.633SS**Hα-helixtrans-64.1-43.5178.4178.561.5000111.1A10 V11 H17 I18A10-L14 VanDerWaalsContact O-CB 3.31Å; A10-L14 WeakPolarHBondContact O-CB 3.34Å; A10-L14 PolarHBondContact O-N 3.44Å; V11-L14 PolarHBondContact O-N 2.88Å; L14-H17 PolarHBondContact O-N 3.38Å; L14-H17 VanDerWaalsContact O-N 3.14Å; L14-I18 HydrophobicContact CD1-CD1 4.14Å; L14-I18 HydrophobicContact CD1-CG1 4.39Å; L14-I18 HydrophobicContact CG-CD1 3.91Å; L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.45Å; L14-I18 PolarHBondContact O-N 3.1Å
15E71.3Confident65.8Low120 Ų120114.8 Ų114.856%0.56162%0.618SS**Hα-helixtrans-60.7-46.2176-173.4168.7-146.400111V11 H17 I18 Q19V11-E15 VanDerWaalsContact O-CB 3.29Å; V11-E15 WeakPolarHBondContact O-CB 3.49Å; V11-E15 PolarHBondContact O-N 3.45Å; E15-H17 VanDerWaalsContact C-N 3.3Å; E15-H17 PolarHBondContact O-N 3.27Å; E15-I18 PolarHBondContact O-N 3.27Å; E15-Q19 WeakPolarHBondContact O-CB 3.41Å; E15-Q19 PolarHBondContact O-N 2.87Å
16K73.4Confident67.3Low126 Ų126113.4 Ų113.455%0.54861%0.607SS.*Hα-helixtrans-60.5-36.9172.8-174.8174.3-178.5-66.20112.9D12 K13 Q19 E20D12-K16 WeakPolarHBondContact O-CB 3.39Å; D12-K16 PolarHBondContact O-N 3.17Å; K13-K16 PolarHBondContact O-N 3.41Å; K16-Q19 WeakPolarHBondContact O-CB 3.34Å; K16-Q19 PolarHBondContact O-N 2.82Å; K16-E20 IonicContact NZ-OE1 2.57Å; K16-E20 PolarHBondContact NZ-OE1 2.79Å; K16-E20 VanDerWaalsContact O-CG 3.29Å; K16-E20 WeakPolarHBondContact O-CG 3.3Å; K16-E20 PolarHBondContact O-N 3.33Å
17H67.3Low68.5Low122 Ų122114.6 Ų114.657%0.56560%0.604SS**Hα-helixtrans-75.3-35.6179.5-133.426.4000112.4K13 L14 E15 Q19 E20 M21K13-H17 PolarHBondContact O-N 3.33Å; L14-H17 PolarHBondContact O-N 3.38Å; L14-H17 VanDerWaalsContact O-N 3.14Å; E15-H17 VanDerWaalsContact C-N 3.3Å; E15-H17 PolarHBondContact O-N 3.27Å; H17-Q19 VanDerWaalsContact C-N 3.28Å; H17-Q19 PolarHBondContact O-N 3.11Å; H17-E20 IonicContact CE1-OE2 3.71Å; H17-E20 IonicContact CG-OE2 2.86Å; H17-E20 IonicContact ND1-OE2 2.88Å; H17-E20 PolarHBondContact ND1-OE2 3.3Å; H17-E20 CarbonylContact O-C 3.49Å; H17-E20 WeakPolarHBondContact O-CA 3.4Å; H17-E20 WeakPolarHBondContact O-CB 3.31Å; H17-E20 PolarHBondContact O-N 3.25Å; H17-M21 WeakPolarHBondContact O-CG 3.43Å; H17-M21 PolarHBondContact O-N 3.25Å
18I69.5Low69.6Low100 Ų100118.8 Ų118.851%0.51362%0.615SS.*Hα-helixtrans-62.7-38169.6-68.7164.5000110.2L14 E15 E20 M21L14-I18 HydrophobicContact CD1-CD1 4.14Å; L14-I18 HydrophobicContact CD1-CG1 4.39Å; L14-I18 HydrophobicContact CG-CD1 3.91Å; L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.45Å; L14-I18 PolarHBondContact O-N 3.1Å; E15-I18 PolarHBondContact O-N 3.27Å; I18-E20 PolarHBondContact O-N 3Å; I18-M21 PolarHBondContact O-N 3.38Å
19Q67.6Low70.8Confident163 Ų163122.3 Ų122.376%0.76262%0.621SS**THydrogen-bonded Turntrans-67.4-12173.2-15479.179.700113.8E15 K16 H17E15-Q19 WeakPolarHBondContact O-CB 3.41Å; E15-Q19 PolarHBondContact O-N 2.87Å; K16-Q19 WeakPolarHBondContact O-CB 3.34Å; K16-Q19 PolarHBondContact O-N 2.82Å; H17-Q19 VanDerWaalsContact C-N 3.28Å; H17-Q19 PolarHBondContact O-N 3.11Å
20E69.1Low71.9Confident109 Ų109122.8 Ų122.851%0.50963%0.628SS.*THydrogen-bonded Turntrans-103.9-1.9177.4-72167.4165.100113K16 H17 I18K16-E20 IonicContact NZ-OE1 2.57Å; K16-E20 PolarHBondContact NZ-OE1 2.79Å; K16-E20 VanDerWaalsContact O-CG 3.29Å; K16-E20 WeakPolarHBondContact O-CG 3.3Å; K16-E20 PolarHBondContact O-N 3.33Å; H17-E20 IonicContact CE1-OE2 3.71Å; H17-E20 IonicContact CG-OE2 2.86Å; H17-E20 IonicContact ND1-OE2 2.88Å; H17-E20 PolarHBondContact ND1-OE2 3.3Å; H17-E20 CarbonylContact O-C 3.49Å; H17-E20 WeakPolarHBondContact O-CA 3.4Å; H17-E20 WeakPolarHBondContact O-CB 3.31Å; H17-E20 PolarHBondContact O-N 3.25Å; I18-E20 PolarHBondContact O-N 3Å
21M65.9Low73Confident102 Ų102124 Ų12450%0.50263%0.63SS.*SBendtrans-95.1138.6178.4-72.6166.853.900111H17 I18 S25H17-M21 WeakPolarHBondContact O-CG 3.43Å; H17-M21 PolarHBondContact O-N 3.25Å; I18-M21 PolarHBondContact O-N 3.38Å; M21-S25 WeakPolarHBondContact CE-OG 3.13Å
22D62.5Low73.7Confident143 Ų143125.7 Ų125.777%0.76564%0.642SS**  trans-61.6149.1179.5-69-50.1000112.6G24 S25D22-G24 PolarHBondContact O-N 3.1Å; D22-S25 WeakPolarHBondContact O-CB 3.44Å; D22-S25 PolarHBondContact O-N 3.44Å; D22-S25 PolarHBondContact O-OG 3.37Å
23D65.1Low74.4Confident183 Ų183127.5 Ų127.598%0.97965%0.648SS**THydrogen-bonded Turntrans-54.2-9.6-176.9-70.7-37.9000115.8
24G66.4Low75.2Confident67 Ų67126.6 Ų126.669%0.69164%0.644SS**THydrogen-bonded Turntrans-940.6177.400000115.2D22D22-G24 PolarHBondContact O-N 3.1Å
25S73.2Confident75.9Confident65 Ų65125.2 Ų125.246%0.45564%0.644SS.*  trans-84.7130.4-176.155.90000112.8M21 D22M21-S25 WeakPolarHBondContact CE-OG 3.13Å; D22-S25 WeakPolarHBondContact O-CB 3.44Å; D22-S25 PolarHBondContact O-N 3.44Å; D22-S25 PolarHBondContact O-OG 3.37Å
26Y76.9Confident76.6Confident186 Ų186123.2 Ų123.273%0.72964%0.637SS**  trans-133.5155.1-179.162-89.9000111.9E28Y26-E28 HydrophobicContact CD2-CB 4.24Å; Y26-E28 HydrophobicContact CE2-CB 4.08Å
27I79.2Confident77.4Confident151 Ų151120.6 Ų120.677%0.77463%0.632SS**  trans-101.7108.4176.3-54.2177.1000108.5F29I27-F29 HydrophobicContact CG2-CD1 4.22Å
28E81Confident78.5Confident157 Ų157117.2 Ų117.273%0.73462%0.62SS**  trans-96.7129.6169.1-173.5165-149.400108.9Y26Y26-E28 HydrophobicContact CD2-CB 4.24Å; Y26-E28 HydrophobicContact CE2-CB 4.08Å
29F83.4Confident79.5Confident156 Ų156115.3 Ų115.368%0.68461%0.61SS**  trans-148128.8176.669-85.5000111.2I27 V31I27-F29 HydrophobicContact CG2-CD1 4.22Å; F29-V31 HydrophobicContact CD2-CG2 4.04Å; F29-V31 HydrophobicContact CE2-CG2 3.8Å
30D84.9Confident80.5Confident156 Ų156110.8 Ų110.883%0.83459%0.593SS**  trans-86.6131.3170.8-79.5-50.2000110.5P32D30-P32 WeakPolarHBondContact O-CD 3.49Å
31V89Confident81.6Confident84 Ų84110.8 Ų110.851%0.50959%0.593SS.*  trans-89.4110.3168.7-178.60000108.1F29 F34F29-V31 HydrophobicContact CD2-CG2 4.04Å; F29-V31 HydrophobicContact CE2-CG2 3.8Å; V31-F34 HydrophobicContact CB-CB 4.07Å; V31-F34 HydrophobicContact CG1-CB 4.03Å; V31-F34 WeakPolarHBondContact O-CB 3.14Å; V31-F34 PolarHBondContact O-N 3.23Å
32P85.9Confident82.8Confident112 Ų112108.1 Ų108.173%0.72758%0.581SS**THydrogen-bonded Turntrans-60.5145.7179.526.2-34.4000110.7D30 F34D30-P32 WeakPolarHBondContact O-CD 3.49Å; P32-F34 PolarHBondContact O-N 2.83Å
33E86.1Confident84.1Confident120 Ų120102.4 Ų102.456%0.56155%0.551SS**THydrogen-bonded Turntrans60.51.7177.5-57.1-177.8-170.600116.9S35 N36 T37E33-S35 VanDerWaalsContact C-N 3.29Å; E33-S35 PolarHBondContact O-N 3.5Å; E33-N36 WeakPolarHBondContact O-CA 3.19Å; E33-N36 WeakPolarHBondContact O-CB 3.46Å; E33-N36 PolarHBondContact O-N 3.32Å; E33-T37 PolarHBondContact O-N 2.82Å; E33-T37 PolarHBondContact O-OG1 3.06Å
34F89.1Confident85.4Confident128 Ų12898.9 Ų98.956%0.56153%0.528SS*.Hα-helixtrans-50.7-47179.3178.1-104.6000112.7V31 P32 N36 T37 V38V31-F34 HydrophobicContact CB-CB 4.07Å; V31-F34 HydrophobicContact CG1-CB 4.03Å; V31-F34 WeakPolarHBondContact O-CB 3.14Å; V31-F34 PolarHBondContact O-N 3.23Å; P32-F34 PolarHBondContact O-N 2.83Å; F34-N36 VanDerWaalsContact C-N 3.31Å; F34-N36 PolarHBondContact O-N 3.44Å; F34-T37 WeakPolarHBondContact O-CB 3.5Å; F34-T37 PolarHBondContact O-N 2.91Å; F34-V38 HydrophobicContact CD1-CG2 4.32Å; F34-V38 HydrophobicContact CD2-CG2 4.44Å; F34-V38 HydrophobicContact CE1-CG2 3.92Å; F34-V38 HydrophobicContact CE2-CG2 4.05Å; F34-V38 HydrophobicContact CZ-CG2 3.78Å; F34-V38 WeakPolarHBondContact O-CG2 3.5Å; F34-V38 PolarHBondContact O-N 2.93Å
35S87.2Confident86.6Confident80 Ų8098 Ų9856%0.55951%0.507SS*.Hα-helixtrans-59.5-37.6176.2-54.30000113.1E33 L39E33-S35 VanDerWaalsContact C-N 3.29Å; E33-S35 PolarHBondContact O-N 3.5Å; S35-L39 WeakPolarHBondContact O-CB 2.99Å; S35-L39 VanDerWaalsContact O-CG 3.28Å; S35-L39 WeakPolarHBondContact O-CG 3.24Å; S35-L39 PolarHBondContact O-N 3.2Å
36N86.1Confident87.5Confident78 Ų7895.6 Ų95.642%0.41749%0.488SS..Hα-helixtrans-70.3-40.7178.2-61.4-13.4000110.6E33 F34 T40E33-N36 WeakPolarHBondContact O-CA 3.19Å; E33-N36 WeakPolarHBondContact O-CB 3.46Å; E33-N36 PolarHBondContact O-N 3.32Å; F34-N36 VanDerWaalsContact C-N 3.31Å; F34-N36 PolarHBondContact O-N 3.44Å; N36-T40 WeakPolarHBondContact O-CB 3.46Å; N36-T40 PolarHBondContact O-N 3.39Å; N36-T40 PolarHBondContact O-OG1 2.99Å
37T89.1Confident88.1Confident71 Ų7192.3 Ų92.344%0.43648%0.483SS..Hα-helixtrans-61.4-46.7174.2-51.70000111.3E33 F34 T40 Q41E33-T37 PolarHBondContact O-N 2.82Å; E33-T37 PolarHBondContact O-OG1 3.06Å; F34-T37 WeakPolarHBondContact O-CB 3.5Å; F34-T37 PolarHBondContact O-N 2.91Å; T37-T40 PolarHBondContact O-N 3.49Å; T37-Q41 WeakPolarHBondContact O-CG 3.3Å; T37-Q41 PolarHBondContact O-N 2.81Å
38V91.1Very high88.6Confident51 Ų5190.2 Ų90.231%0.30947%0.47SS..Hα-helixtrans-62.9-47.1178.4170.20000111.5F34 T40 Q41 L42F34-V38 HydrophobicContact CD1-CG2 4.32Å; F34-V38 HydrophobicContact CD2-CG2 4.44Å; F34-V38 HydrophobicContact CE1-CG2 3.92Å; F34-V38 HydrophobicContact CE2-CG2 4.05Å; F34-V38 HydrophobicContact CZ-CG2 3.78Å; F34-V38 WeakPolarHBondContact O-CG2 3.5Å; F34-V38 PolarHBondContact O-N 2.93Å; V38-T40 VanDerWaalsContact C-N 3.31Å; V38-T40 PolarHBondContact O-N 3.18Å; V38-Q41 PolarHBondContact O-N 2.76Å; V38-L42 HydrophobicContact CG1-CD1 4.07Å; V38-L42 WeakPolarHBondContact O-CG 3.22Å; V38-L42 PolarHBondContact O-N 3.33Å
39L90.6Very high88.9Confident59 Ų5984 Ų8431%0.30945%0.448SS..Hα-helixtrans-64.8-35.2178.1-70.2169000112.3S35 L42 N43 V69 Y108S35-L39 WeakPolarHBondContact O-CB 2.99Å; S35-L39 VanDerWaalsContact O-CG 3.28Å; S35-L39 WeakPolarHBondContact O-CG 3.24Å; S35-L39 PolarHBondContact O-N 3.2Å; L39-L42 HydrophobicContact CD2-CD1 4.41Å; L39-L42 PolarHBondContact O-N 2.82Å; L39-N43 PolarHBondContact O-N 3.02Å; L39-V69 HydrophobicContact CD2-CG2 4.49Å; L39-Y108 VanDerWaalsContact CB-O 3.24Å; L39-Y108 WeakPolarHBondContact CB-O 3.41Å
40T88.9Confident89.2Confident68 Ų6882 Ų8242%0.41744%0.439SS..Hα-helixtrans-63.7-46.6173.8-58.80000111.4N36 T37 V38 L42 N43 E44N36-T40 WeakPolarHBondContact O-CB 3.46Å; N36-T40 PolarHBondContact O-N 3.39Å; N36-T40 PolarHBondContact O-OG1 2.99Å; T37-T40 PolarHBondContact O-N 3.49Å; V38-T40 VanDerWaalsContact C-N 3.31Å; V38-T40 PolarHBondContact O-N 3.18Å; T40-L42 VanDerWaalsContact C-N 3.31Å; T40-L42 PolarHBondContact O-N 2.99Å; T40-N43 WeakPolarHBondContact O-CB 3.23Å; T40-N43 PolarHBondContact O-N 3.35Å; T40-E44 PolarHBondContact O-N 3.23Å; T40-E44 VanDerWaalsContact O-N 3.09Å
41Q91.3Very high89.3Confident109 Ų10980.9 Ų80.951%0.50943%0.433SS..Hα-helixtrans-61.8-37.8174.2-69.9175.57.400112.2T37 V38 N43 E44 L45T37-Q41 WeakPolarHBondContact O-CG 3.3Å; T37-Q41 PolarHBondContact O-N 2.81Å; V38-Q41 PolarHBondContact O-N 2.76Å; Q41-N43 VanDerWaalsContact C-N 3.28Å; Q41-N43 PolarHBondContact O-N 3.17Å; Q41-E44 PolarHBondContact O-N 3.33Å; Q41-L45 VanDerWaalsContact O-CG 3.31Å; Q41-L45 WeakPolarHBondContact O-CG 3.46Å; Q41-L45 PolarHBondContact O-N 2.74Å
42L92Very high89.4Confident46 Ų4678 Ų7824%0.24142%0.416CS..Hα-helixtrans-65-29.9173.7-72.2170.5000112.6V38 L39 T40 L45 R46 H66 V69 Y108V38-L42 HydrophobicContact CG1-CD1 4.07Å; V38-L42 WeakPolarHBondContact O-CG 3.22Å; V38-L42 PolarHBondContact O-N 3.33Å; L39-L42 HydrophobicContact CD2-CD1 4.41Å; L39-L42 PolarHBondContact O-N 2.82Å; T40-L42 VanDerWaalsContact C-N 3.31Å; T40-L42 PolarHBondContact O-N 2.99Å; L42-L45 HydrophobicContact CD2-CD1 4.41Å; L42-R46 WeakPolarHBondContact O-CB 3.49Å; L42-R46 PolarHBondContact O-N 3.34Å; L42-H66 PolarHBondContact O-CE1 3.1Å; L42-V69 HydrophobicContact CD1-CG2 4.29Å; L42-Y108 HydrophobicContact CB-CD1 3.82Å; L42-Y108 HydrophobicContact CB-CE1 3.93Å
43N90.5Very high89.5Confident24 Ų2476.6 Ų76.613%0.12840%0.402CS..Hα-helixtrans-70.5-41.7171.9-165.129.5000111.9L39 T40 Q41 L45 R46 L47 Y108L39-N43 PolarHBondContact O-N 3.02Å; T40-N43 WeakPolarHBondContact O-CB 3.23Å; T40-N43 PolarHBondContact O-N 3.35Å; Q41-N43 VanDerWaalsContact C-N 3.28Å; Q41-N43 PolarHBondContact O-N 3.17Å; N43-L45 VanDerWaalsContact C-N 3.34Å; N43-L45 PolarHBondContact O-N 3.41Å; N43-R46 WeakPolarHBondContact O-CB 3.42Å; N43-R46 PolarHBondContact O-N 2.99Å; N43-R46 PolarHBondContact OD1-NE 2.8Å; N43-R46 PolarHBondContact OD1-NH2 3.2Å; N43-L47 VanDerWaalsContact O-CG 3.31Å; N43-L47 WeakPolarHBondContact O-CG 3.33Å; N43-L47 PolarHBondContact O-N 3.3Å; N43-Y108 HydrophobicContact CB-CD1 4.16Å; N43-Y108 HydrophobicContact CB-CG 4.06Å
44E91.3Very high89.6Confident109 Ų10971.3 Ų71.351%0.50938%0.378SS..Hα-helixtrans-61.6-43.3174.4-66.3-176176.200111.7T40 Q41 R46 L47 Q48T40-E44 PolarHBondContact O-N 3.23Å; T40-E44 VanDerWaalsContact O-N 3.09Å; Q41-E44 PolarHBondContact O-N 3.33Å; E44-R46 VanDerWaalsContact C-N 3.35Å; E44-L47 PolarHBondContact O-N 2.34Å; E44-Q48 WeakPolarHBondContact O-CB 3.44Å; E44-Q48 VanDerWaalsContact O-CG 3.25Å; E44-Q48 WeakPolarHBondContact O-CG 3.48Å; E44-Q48 PolarHBondContact O-N 3.19Å
45L92.1Very high89.6Confident48 Ų4867.5 Ų67.525%0.25136%0.363SS..Hα-helixtrans-62.8-41.1175.1-70.4165.3000111.5Q41 L42 N43 Q48 G49 K50 L51Q41-L45 VanDerWaalsContact O-CG 3.31Å; Q41-L45 WeakPolarHBondContact O-CG 3.46Å; Q41-L45 PolarHBondContact O-N 2.74Å; L42-L45 HydrophobicContact CD2-CD1 4.41Å; N43-L45 VanDerWaalsContact C-N 3.34Å; N43-L45 PolarHBondContact O-N 3.41Å; L45-Q48 CarbonylContact O-C 3.32Å; L45-Q48 PolarHBondContact O-N 2.6Å; L45-G49 PolarHBondContact O-N 3.23Å; L45-G49 VanDerWaalsContact O-N 3.08Å; L45-K50 HydrophobicContact CB-CB 4.45Å; L45-K50 HydrophobicContact CD2-CB 3.97Å; L45-K50 HydrophobicContact CD2-CD 3.96Å; L45-K50 PolarHBondContact O-N 2.85Å; L45-L51 HydrophobicContact CD1-CD1 4.27Å
46R92.2Very high89.7Confident14 Ų1463.8 Ų63.85%0.05334%0.336CS..Hα-helixtrans-57.7-49.6173.1-178.2-169.469.398.4-4.4112.1L42 N43 E44 Q48 G49 R64 E101 L104L42-R46 WeakPolarHBondContact O-CB 3.49Å; L42-R46 PolarHBondContact O-N 3.34Å; N43-R46 WeakPolarHBondContact O-CB 3.42Å; N43-R46 PolarHBondContact O-N 2.99Å; N43-R46 PolarHBondContact OD1-NE 2.8Å; N43-R46 PolarHBondContact OD1-NH2 3.2Å; E44-R46 VanDerWaalsContact C-N 3.35Å; R46-Q48 VanDerWaalsContact C-N 3.29Å; R46-Q48 PolarHBondContact O-N 3.45Å; R46-G49 WeakPolarHBondContact O-CA 3.46Å; R46-G49 PolarHBondContact O-N 2.95Å; R46-R64 WeakPolarHBondContact CD-O 3.29Å; R46-R64 WeakPolarHBondContact CG-O 3.36Å; R46-E101 IonicContact CZ-OE1 3.72Å; R46-E101 VanDerWaalsContact NH1-CD 3.32Å; R46-E101 IonicContact NH1-OE1 2.69Å; R46-E101 PolarHBondContact NH1-OE1 2.92Å; R46-E101 IonicContact NH1-OE2 2.68Å; R46-E101 PolarHBondContact NH1-OE2 3.29Å; R46-E101 IonicContact NH2-OE1 3.75Å; R46-E101 PolarHBondContact NH2-OE1 3.13Å; R46-L104 VanDerWaalsContact NH1-CD2 3.32Å
47L89.4Confident89.8Confident117 Ų11763.1 Ų63.161%0.61333%0.331SS*.Hα-helixtrans-65-33.1179.5-69.7168.6000112N43 E44 G49N43-L47 VanDerWaalsContact O-CG 3.31Å; N43-L47 WeakPolarHBondContact O-CG 3.33Å; N43-L47 PolarHBondContact O-N 3.3Å; E44-L47 PolarHBondContact O-N 2.34Å; L47-G49 PolarHBondContact O-N 2.95Å
48Q90.3Very high89.9Confident107 Ų10759.8 Ų59.850%0.531%0.31SS..THydrogen-bonded Turntrans-76.9-2170.6-66.5171.642.700113.6E44 L45 R46 K50E44-Q48 WeakPolarHBondContact O-CB 3.44Å; E44-Q48 VanDerWaalsContact O-CG 3.25Å; E44-Q48 WeakPolarHBondContact O-CG 3.48Å; E44-Q48 PolarHBondContact O-N 3.19Å; L45-Q48 CarbonylContact O-C 3.32Å; L45-Q48 PolarHBondContact O-N 2.6Å; R46-Q48 VanDerWaalsContact C-N 3.29Å; R46-Q48 PolarHBondContact O-N 3.45Å; Q48-K50 HydrophobicContact CB-CD 4.03Å; Q48-K50 HydrophobicContact CB-CG 4.09Å; Q48-K50 PolarHBondContact O-N 3.25Å; Q48-K50 VanDerWaalsContact OE1-CE 3.31Å
49G86.8Confident89.8Confident28 Ų2862.5 Ų62.529%0.28932%0.32SS..THydrogen-bonded Turntrans67.411.9-176.800000115L45 R46 L47L45-G49 PolarHBondContact O-N 3.23Å; L45-G49 VanDerWaalsContact O-N 3.08Å; R46-G49 WeakPolarHBondContact O-CA 3.46Å; R46-G49 PolarHBondContact O-N 2.95Å; L47-G49 PolarHBondContact O-N 2.95Å
50K89.5Confident89.5Confident113 Ų11362.6 Ų62.649%0.49134%0.335SS..  trans-84.2148.8-178.7-67.2173.8-179.7170.50110.4L45 Q48 C52 H66L45-K50 HydrophobicContact CB-CB 4.45Å; L45-K50 HydrophobicContact CD2-CB 3.97Å; L45-K50 HydrophobicContact CD2-CD 3.96Å; L45-K50 PolarHBondContact O-N 2.85Å; Q48-K50 HydrophobicContact CB-CD 4.03Å; Q48-K50 HydrophobicContact CB-CG 4.09Å; Q48-K50 PolarHBondContact O-N 3.25Å; Q48-K50 VanDerWaalsContact OE1-CE 3.31Å; K50-C52 PolarHBondContact O-N 3.15Å; K50-C52 PolarHBondContact O-SG 3.01Å; K50-H66 PolarHBondContact O-NE2 2.79Å
51L88.1Confident89.5Confident133 Ų13364.1 Ų64.170%0.69634%0.337SS*.SBendtrans54.70.7177.7-54.6-176.8000117L45 D53 H66L45-L51 HydrophobicContact CD1-CD1 4.27Å; L51-D53 PolarHBondContact O-N 3.02Å; L51-H66 PolarHBondContact O-CD2 3.16Å; L51-H66 VanDerWaalsContact O-CD2 3.29Å
52C89.4Confident89.5Confident23 Ų2363 Ų6316%0.15534%0.339CS..  trans-69114.2178-650000111.3K50 R64 A65K50-C52 PolarHBondContact O-N 3.15Å; K50-C52 PolarHBondContact O-SG 3.01Å; C52-R64 HydrophobicContact CB-CB 3.92Å; C52-A65 CarbonylContact C-O 3.46Å; C52-A65 VanDerWaalsContact CA-O 3.3Å; C52-A65 WeakPolarHBondContact CA-O 3.35Å; C52-A65 WeakPolarHBondContact CB-O 3.3Å
53D88.3Confident89.5Confident83 Ų8362 Ų6244%0.44433%0.333SS..  trans-97.1-2.3-178.167.8-32.3000113.4L51 A65 H66 K67L51-D53 PolarHBondContact O-N 3.02Å; D53-A65 PolarHBondContact N-O 2.9Å; D53-H66 VanDerWaalsContact OD1-CA 3.29Å; D53-H66 WeakPolarHBondContact OD1-CA 3.49Å; D53-K67 WeakPolarHBondContact O-CE 3.45Å; D53-K67 PolarHBondContact O-NZ 3.1Å; D53-K67 PolarHBondContact OD1-N 3.48Å; D53-K67 WeakPolarHBondContact OD2-CB 3.32Å; D53-K67 WeakPolarHBondContact OD2-CD 3.29Å; D53-K67 VanDerWaalsContact OD2-CE 3.24Å; D53-K67 WeakPolarHBondContact OD2-CE 3.37Å; D53-K67 WeakPolarHBondContact OD2-CG 3.39Å; D53-K67 IonicContact OD2-NZ 3.28Å
54I87.8Confident89.5Confident8 Ų866.7 Ų66.74%0.04135%0.349CS..EExtended strand (participates in β ladder)trans-135148171.7-175.8162.7000112.7V56 A65 K67 L70 L83 L89I54-V56 HydrophobicContact CD1-CG2 4.28Å; I54-V56 HydrophobicContact CG1-CG2 4.24Å; I54-A65 HydrophobicContact CG2-CB 4.09Å; I54-A65 WeakPolarHBondContact CG2-O 3.23Å; I54-A65 PolarHBondContact N-O 3.06Å; I54-A65 PolarHBondContact O-N 2.92Å; I54-K67 HydrophobicContact CB-CD 4.48Å; I54-K67 HydrophobicContact CB-CG 3.8Å; I54-K67 HydrophobicContact CD1-CG 4.48Å; I54-K67 HydrophobicContact CG2-CG 3.68Å; I54-L70 HydrophobicContact CG2-CD1 4.08Å; I54-L83 HydrophobicContact CD1-CD2 3.33Å; I54-L89 HydrophobicContact CD1-CB 4.17Å
55I89.4Confident89.5Confident49 Ų4961.6 Ų61.625%0.25133%0.325SS..EExtended strand (participates in β ladder)trans-116.7128.3164.6-53.3179.9000108.1P62 F63 R64 G88 L89I55-P62 HydrophobicContact CG2-CB 3.62Å; I55-F63 CarbonylContact C-O 3.59Å; I55-F63 WeakPolarHBondContact CA-O 3.34Å; I55-R64 HydrophobicContact CG1-CG 4.4Å; I55-G88 VanDerWaalsContact O-CA 3.28Å; I55-G88 WeakPolarHBondContact O-CA 3.48Å; I55-L89 PolarHBondContact O-N 2.65Å
56V89.4Confident89.5Confident1 Ų160 Ų601%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-107.1123.3174.3-175.30000108.8I54 I58 F63 L70 L89 I91 F100I54-V56 HydrophobicContact CD1-CG2 4.28Å; I54-V56 HydrophobicContact CG1-CG2 4.24Å; V56-I58 HydrophobicContact CG1-CG1 4.22Å; V56-F63 PolarHBondContact N-O 2.96Å; V56-F63 WeakPolarHBondContact O-CB 3.07Å; V56-F63 PolarHBondContact O-N 3.47Å; V56-L70 HydrophobicContact CG2-CD1 4.26Å; V56-L89 CarbonylContact C-O 3.39Å; V56-L89 VanDerWaalsContact CA-O 3.28Å; V56-L89 WeakPolarHBondContact CA-O 3.32Å; V56-L89 HydrophobicContact CG1-CD2 4.34Å; V56-L89 HydrophobicContact CG2-CB 4.5Å; V56-L89 HydrophobicContact CG2-CD2 4.33Å; V56-I91 HydrophobicContact CG1-CD1 3.84Å; V56-I91 HydrophobicContact CG1-CG1 4.2Å; V56-F100 HydrophobicContact CB-CE1 4.19Å; V56-F100 HydrophobicContact CB-CZ 4.16Å; V56-F100 HydrophobicContact CG1-CE1 4.08Å; V56-F100 HydrophobicContact CG1-CZ 3.81Å; V56-F100 HydrophobicContact CG2-CZ 4.48Å
57H89.5Confident89.3Confident65 Ų6561.8 Ų61.830%0.30133%0.325SS..EExtended strand (participates in β ladder)trans-98.7117.5179.6-71.3-94.2000111.2G60 Q61 L89 S90 I91H57-G60 PolarHBondContact ND1-O 3.31Å; H57-Q61 WeakPolarHBondContact CA-O 3.44Å; H57-L89 PolarHBondContact N-O 3.49Å; H57-S90 WeakPolarHBondContact O-CA 3.29Å; H57-I91 PolarHBondContact O-N 3.28Å
58I90.8Very high89.3Confident0 Ų060 Ų600%033%0.327CS..EExtended strand (participates in β ladder)trans-119.8118.8178.2-57.4-112.5000108.1V56 G60 Q61 F63 I91 I94 F100V56-I58 HydrophobicContact CG1-CG1 4.22Å; I58-G60 PolarHBondContact O-N 3.07Å; I58-Q61 PolarHBondContact N-O 3.37Å; I58-Q61 WeakPolarHBondContact O-CB 3.32Å; I58-Q61 PolarHBondContact O-N 3.37Å; I58-F63 HydrophobicContact CB-CD2 4.27Å; I58-F63 HydrophobicContact CB-CE2 4.05Å; I58-F63 HydrophobicContact CG1-CD2 4.19Å; I58-F63 HydrophobicContact CG1-CE2 4.4Å; I58-I91 HydrophobicContact CD1-CB 3.78Å; I58-I91 HydrophobicContact CD1-CD1 4.35Å; I58-I91 HydrophobicContact CD1-CG2 4.01Å; I58-I91 HydrophobicContact CG1-CB 4.49Å; I58-I94 HydrophobicContact CD1-CB 3.9Å; I58-I94 HydrophobicContact CD1-CD1 3.75Å; I58-I94 HydrophobicContact CD1-CG1 4.3Å; I58-I94 HydrophobicContact CD1-CG2 4.22Å; I58-I94 HydrophobicContact CG2-CB 4.16Å; I58-I94 HydrophobicContact CG2-CG2 4.08Å; I58-F100 HydrophobicContact CD1-CB 3.89Å; I58-F100 HydrophobicContact CD1-CD1 3.88Å; I58-F100 HydrophobicContact CD1-CD2 3.54Å; I58-F100 HydrophobicContact CD1-CE1 4.3Å; I58-F100 HydrophobicContact CD1-CE2 4Å; I58-F100 HydrophobicContact CD1-CG 3.47Å; I58-F100 VanDerWaalsContact CD1-CG 3.47Å; I58-F100 HydrophobicContact CD1-CZ 4.36Å; I58-F100 HydrophobicContact CG1-CB 4.27Å; I58-F100 HydrophobicContact CG1-CD1 3.75Å; I58-F100 HydrophobicContact CG1-CD2 4.33Å; I58-F100 HydrophobicContact CG1-CE1 4.15Å; I58-F100 HydrophobicContact CG1-CG 3.84Å
59Q88.4Confident89.4Confident109 Ų10955.5 Ų55.551%0.50931%0.307SS..THydrogen-bonded Turntrans48.432.5-171.5-54.4-55.2-40.200113.7Q61 S92 I94Q59-Q61 VanDerWaalsContact C-N 3.35Å; Q59-Q61 PolarHBondContact O-N 2.96Å; Q59-S92 PolarHBondContact NE2-O 2.98Å; Q59-S92 VanDerWaalsContact NE2-O 3.1Å; Q59-I94 PolarHBondContact NE2-O 3.35Å
60G84.3Confident89.6Confident60 Ų6054.2 Ų54.262%0.61929%0.293SS*.THydrogen-bonded Turntrans89.2-22.1-176.200000115.3H57 I58H57-G60 PolarHBondContact ND1-O 3.31Å; I58-G60 PolarHBondContact O-N 3.07Å
61Q89.6Confident89.5Confident100 Ų10050.1 Ų50.147%0.46728%0.28SS..EExtended strand (participates in β ladder)trans-70.9128.9179.1-64.1-171.3-1.700111.4H57 I58 Q59 F63H57-Q61 WeakPolarHBondContact CA-O 3.44Å; I58-Q61 PolarHBondContact N-O 3.37Å; I58-Q61 WeakPolarHBondContact O-CB 3.32Å; I58-Q61 PolarHBondContact O-N 3.37Å; Q59-Q61 VanDerWaalsContact C-N 3.35Å; Q59-Q61 PolarHBondContact O-N 2.96Å; Q61-F63 HydrophobicContact CB-CE2 3.83Å; Q61-F63 HydrophobicContact CB-CZ 4.35Å; Q61-F63 WeakPolarHBondContact O-CD2 3.38Å
62P90.7Very high89.6Confident86 Ų8647.9 Ų47.956%0.55828%0.281SS*.EExtended strand (participates in β ladder)trans-89.4120-178.232.6-32000112.9I55I55-P62 HydrophobicContact CG2-CB 3.62Å
63F91.7Very high89.6Confident25 Ų2548.7 Ų48.711%0.1129%0.287CS..EExtended strand (participates in β ladder)trans-104.6120174.7-67.5-86.4000110.4I55 V56 I58 Q61 P97 F100 E101 L104I55-F63 CarbonylContact C-O 3.59Å; I55-F63 WeakPolarHBondContact CA-O 3.34Å; V56-F63 PolarHBondContact N-O 2.96Å; V56-F63 WeakPolarHBondContact O-CB 3.07Å; V56-F63 PolarHBondContact O-N 3.47Å; I58-F63 HydrophobicContact CB-CD2 4.27Å; I58-F63 HydrophobicContact CB-CE2 4.05Å; I58-F63 HydrophobicContact CG1-CD2 4.19Å; I58-F63 HydrophobicContact CG1-CE2 4.4Å; Q61-F63 HydrophobicContact CB-CE2 3.83Å; Q61-F63 HydrophobicContact CB-CZ 4.35Å; Q61-F63 WeakPolarHBondContact O-CD2 3.38Å; F63-P97 HydrophobicContact CE2-CB 4.09Å; F63-P97 HydrophobicContact CZ-CB 3.84Å; F63-F100 HydrophobicContact CB-CD1 4.21Å; F63-F100 HydrophobicContact CB-CE1 3.79Å; F63-F100 HydrophobicContact CD1-CD1 4.14Å; F63-F100 HydrophobicContact CD1-CE1 4.49Å; F63-F100 AromaticContact CD2-CD1 3.78Å; F63-F100 HydrophobicContact CD2-CD1 3.78Å; F63-F100 HydrophobicContact CD2-CE1 4.12Å; F63-F100 HydrophobicContact CE2-CD1 4.23Å; F63-F100 AromaticContact CG-CD1 3.74Å; F63-F100 HydrophobicContact CG-CD1 3.74Å; F63-F100 AromaticContact CG-CE1 3.86Å; F63-F100 HydrophobicContact CG-CE1 3.86Å; F63-E101 WeakPolarHBondContact CD1-OE2 3.32Å; F63-E101 HydrophobicContact CE1-CB 3.97Å; F63-L104 HydrophobicContact CB-CD2 4.05Å; F63-L104 HydrophobicContact CD1-CD2 4.3Å
64R91.3Very high89.7Confident123 Ų12344.8 Ų44.846%0.46427%0.266SS..EExtended strand (participates in β ladder)trans-82.4139.8175.2-67.8-177.9177.6-86.3-3.9110.2R46 C52 I55R46-R64 WeakPolarHBondContact CD-O 3.29Å; R46-R64 WeakPolarHBondContact CG-O 3.36Å; C52-R64 HydrophobicContact CB-CB 3.92Å; I55-R64 HydrophobicContact CG1-CG 4.4Å
65A91.8Very high89.7Confident1 Ų146.5 Ų46.51%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-155.5171.9178.400000112.1C52 D53 I54 L70 L104C52-A65 CarbonylContact C-O 3.46Å; C52-A65 VanDerWaalsContact CA-O 3.3Å; C52-A65 WeakPolarHBondContact CA-O 3.35Å; C52-A65 WeakPolarHBondContact CB-O 3.3Å; D53-A65 PolarHBondContact N-O 2.9Å; I54-A65 HydrophobicContact CG2-CB 4.09Å; I54-A65 WeakPolarHBondContact CG2-O 3.23Å; I54-A65 PolarHBondContact N-O 3.06Å; I54-A65 PolarHBondContact O-N 2.92Å; A65-L70 HydrophobicContact CB-CD1 3.79Å; A65-L70 HydrophobicContact CB-CD2 4.48Å; A65-L70 HydrophobicContact CB-CG 4.11Å; A65-L104 HydrophobicContact CB-CD1 3.98Å
66H90.8Very high89.7Confident14 Ų1445.2 Ų45.27%0.06527%0.27CS..  trans-101.4126.4171.5-53.190.8000109.9L42 K50 L51 D53 A68 V69 L70 Y108L42-H66 PolarHBondContact O-CE1 3.1Å; K50-H66 PolarHBondContact O-NE2 2.79Å; L51-H66 PolarHBondContact O-CD2 3.16Å; L51-H66 VanDerWaalsContact O-CD2 3.29Å; D53-H66 VanDerWaalsContact OD1-CA 3.29Å; D53-H66 WeakPolarHBondContact OD1-CA 3.49Å; H66-A68 VanDerWaalsContact C-N 3.3Å; H66-A68 PolarHBondContact O-N 3.39Å; H66-V69 HydrophobicContact CB-CB 4.48Å; H66-V69 HydrophobicContact CB-CG2 4.16Å; H66-V69 PolarHBondContact O-N 3.02Å; H66-L70 PolarHBondContact O-N 2.85Å; H66-Y108 PolarHBondContact N-OH 3.23Å; H66-Y108 AromaticContact ND1-CE1 3.54Å; H66-Y108 AromaticContact ND1-CZ 3.74Å; H66-Y108 PolarHBondContact ND1-OH 3.41Å; H66-Y108 VanDerWaalsContact ND1-OH 3.09Å
67K89Confident89.6Confident53 Ų5345.3 Ų45.323%0.2327%0.27CS..Hα-helixtrans-58.8-39.7-179-68.5175.1-153.9176.60112.7D53 I54 V69 L70 A71 L83D53-K67 WeakPolarHBondContact O-CE 3.45Å; D53-K67 PolarHBondContact O-NZ 3.1Å; D53-K67 PolarHBondContact OD1-N 3.48Å; D53-K67 WeakPolarHBondContact OD2-CB 3.32Å; D53-K67 WeakPolarHBondContact OD2-CD 3.29Å; D53-K67 VanDerWaalsContact OD2-CE 3.24Å; D53-K67 WeakPolarHBondContact OD2-CE 3.37Å; D53-K67 WeakPolarHBondContact OD2-CG 3.39Å; D53-K67 IonicContact OD2-NZ 3.28Å; I54-K67 HydrophobicContact CB-CD 4.48Å; I54-K67 HydrophobicContact CB-CG 3.8Å; I54-K67 HydrophobicContact CD1-CG 4.48Å; I54-K67 HydrophobicContact CG2-CG 3.68Å; K67-V69 VanDerWaalsContact C-N 3.34Å; K67-V69 PolarHBondContact O-N 3.42Å; K67-L70 PolarHBondContact O-N 3.36Å; K67-A71 VanDerWaalsContact O-CB 3.3Å; K67-A71 WeakPolarHBondContact O-CB 3.39Å; K67-A71 PolarHBondContact O-N 3.27Å; K67-L83 HydrophobicContact CB-CD1 4.39Å; K67-L83 HydrophobicContact CD-CB 4.23Å; K67-L83 WeakPolarHBondContact CD-O 3.33Å; K67-L83 WeakPolarHBondContact CE-O 3.39Å; K67-L83 HydrophobicContact CG-CD1 4.49Å; K67-L83 HydrophobicContact CG-CD2 4.39Å; K67-L83 PolarHBondContact NZ-O 3.1Å
68A89.3Confident89.4Confident80 Ų8049.3 Ų49.366%0.66128%0.283SS*.Hα-helixtrans-58.8-43.7179.900000112.2H66 A72H66-A68 VanDerWaalsContact C-N 3.3Å; H66-A68 PolarHBondContact O-N 3.39Å; A68-A72 WeakPolarHBondContact O-CB 3.27Å; A68-A72 PolarHBondContact O-N 3.33Å; A68-A72 VanDerWaalsContact O-N 3.09Å
69V91.4Very high88.8Confident12 Ų1254 Ų547%0.07331%0.308CS..Hα-helixtrans-67.6-47.6177.2-179.60000110.3L39 L42 H66 K67 A71 A72 S73 C107 Y108L39-V69 HydrophobicContact CD2-CG2 4.49Å; L42-V69 HydrophobicContact CD1-CG2 4.29Å; H66-V69 HydrophobicContact CB-CB 4.48Å; H66-V69 HydrophobicContact CB-CG2 4.16Å; H66-V69 PolarHBondContact O-N 3.02Å; K67-V69 VanDerWaalsContact C-N 3.34Å; K67-V69 PolarHBondContact O-N 3.42Å; V69-A71 PolarHBondContact O-N 3.39Å; V69-A72 PolarHBondContact O-N 2.95Å; V69-S73 PolarHBondContact O-N 3.03Å; V69-S73 PolarHBondContact O-OG 3.15Å; V69-S73 VanDerWaalsContact O-OG 3.09Å; V69-C107 HydrophobicContact CG1-CB 4.1Å; V69-C107 VanDerWaalsContact CG1-O 3.29Å; V69-C107 WeakPolarHBondContact CG1-O 3.32Å; V69-Y108 HydrophobicContact CB-CE1 4.1Å; V69-Y108 HydrophobicContact CG1-CD1 4.11Å; V69-Y108 HydrophobicContact CG1-CD2 4.11Å; V69-Y108 HydrophobicContact CG1-CE1 3.92Å; V69-Y108 HydrophobicContact CG1-CE2 3.89Å; V69-Y108 HydrophobicContact CG1-CG 4.19Å; V69-Y108 HydrophobicContact CG2-CD1 4.34Å; V69-Y108 HydrophobicContact CG2-CE1 3.79Å
70L90.4Very high88Confident1 Ų152.6 Ų52.61%0.00530%0.301CS..Hα-helixtrans-59.5-44.6178.8-71.4-174000113.2I54 V56 A65 H66 K67 A72 S73 S74 F77 L104I54-L70 HydrophobicContact CG2-CD1 4.08Å; V56-L70 HydrophobicContact CG2-CD1 4.26Å; A65-L70 HydrophobicContact CB-CD1 3.79Å; A65-L70 HydrophobicContact CB-CD2 4.48Å; A65-L70 HydrophobicContact CB-CG 4.11Å; H66-L70 PolarHBondContact O-N 2.85Å; K67-L70 PolarHBondContact O-N 3.36Å; L70-A72 VanDerWaalsContact C-N 3.32Å; L70-A72 PolarHBondContact O-N 2.98Å; L70-S73 PolarHBondContact O-N 3.07Å; L70-S74 PolarHBondContact O-N 3.43Å; L70-F77 HydrophobicContact CB-CB 4Å; L70-F77 HydrophobicContact CB-CD2 3.68Å; L70-F77 HydrophobicContact CB-CE2 4.32Å; L70-F77 HydrophobicContact CB-CG 3.87Å; L70-F77 HydrophobicContact CD1-CD1 4.34Å; L70-F77 HydrophobicContact CD1-CD2 4.38Å; L70-F77 HydrophobicContact CD1-CE1 4.35Å; L70-F77 HydrophobicContact CD1-CE2 4.4Å; L70-F77 HydrophobicContact CD1-CG 4.37Å; L70-F77 HydrophobicContact CD1-CZ 4.38Å; L70-F77 HydrophobicContact CD2-CD2 4.04Å; L70-F77 HydrophobicContact CD2-CE2 3.81Å; L70-F77 HydrophobicContact CD2-CZ 4.36Å; L70-F77 HydrophobicContact CG-CD2 4.25Å; L70-F77 HydrophobicContact CG-CE2 4.41Å; L70-L104 HydrophobicContact CD2-CD1 3.71Å
71A89.1Confident86.6Confident27 Ų2754.3 Ų54.322%0.22330%0.304CS..Hα-helixtrans-71.1-24.617900000113.3K67 V69 R78K67-A71 VanDerWaalsContact O-CB 3.3Å; K67-A71 WeakPolarHBondContact O-CB 3.39Å; K67-A71 PolarHBondContact O-N 3.27Å; V69-A71 PolarHBondContact O-N 3.39Å; A71-R78 HydrophobicContact CB-CB 3.93Å; A71-R78 HydrophobicContact CB-CG 4.36Å
72A89.3Confident84.8Confident86 Ų8651 Ų5171%0.71129%0.293SS*.Hα-helixtrans-76.7-41.7171.500000112A68 V69 L70A68-A72 WeakPolarHBondContact O-CB 3.27Å; A68-A72 PolarHBondContact O-N 3.33Å; A68-A72 VanDerWaalsContact O-N 3.09Å; V69-A72 PolarHBondContact O-N 2.95Å; L70-A72 VanDerWaalsContact C-N 3.32Å; L70-A72 PolarHBondContact O-N 2.98Å
73S89.4Confident83.2Confident40 Ų4047.6 Ų47.628%0.2827%0.271SS..Hα-helixtrans-78.9-18.8-178.1-52.40000114.5V69 L70 C107 M131V69-S73 PolarHBondContact O-N 3.03Å; V69-S73 PolarHBondContact O-OG 3.15Å; V69-S73 VanDerWaalsContact O-OG 3.09Å; L70-S73 PolarHBondContact O-N 3.07Å; S73-C107 VanDerWaalsContact CB-SG 3.58Å; S73-C107 WeakPolarHBondContact OG-CB 3.36Å; S73-M131 WeakPolarHBondContact O-CE 3.34Å
74S89.7Confident81.6Confident1 Ų153 Ų531%0.00730%0.3CS..  trans-152.2122.5-170.3159.50000112.5L70 Y76 F77 R78 L129L70-S74 PolarHBondContact O-N 3.43Å; S74-Y76 PolarHBondContact O-N 2.78Å; S74-Y76 WeakPolarHBondContact OG-CB 3.48Å; S74-Y76 PolarHBondContact OG-N 3.34Å; S74-F77 PolarHBondContact O-N 3.43Å; S74-F77 WeakPolarHBondContact OG-CD2 3.5Å; S74-R78 PolarHBondContact O-N 2.83Å; S74-L129 WeakPolarHBondContact CB-O 3.27Å; S74-L129 PolarHBondContact OG-O 2.92Å
75P89.2Confident80Confident44 Ų4450.4 Ų50.429%0.28630%0.299SS..Hα-helixtrans-60.3-33.9175.1-23.734.2000113.1F77 R78 D79P75-F77 VanDerWaalsContact C-N 3.29Å; P75-F77 PolarHBondContact O-N 3.12Å; P75-R78 PolarHBondContact O-N 2.91Å; P75-R78 VanDerWaalsContact O-N 3.16Å; P75-D79 WeakPolarHBondContact O-CB 3.45Å; P75-D79 PolarHBondContact O-N 3.15Å
76Y88.4Confident78Confident22 Ų2260 Ų609%0.08635%0.346CS..Hα-helixtrans-53.7-43.5177.1171.8-88.3000112.4S74 H80 I91 F128 L129S74-Y76 PolarHBondContact O-N 2.78Å; S74-Y76 WeakPolarHBondContact OG-CB 3.48Å; S74-Y76 PolarHBondContact OG-N 3.34Å; Y76-H80 AromaticContact CD2-CD2 3.69Å; Y76-H80 AromaticContact CD2-NE2 3.77Å; Y76-H80 AromaticContact CE1-CD2 3.7Å; Y76-H80 AromaticContact CE2-CD2 3.29Å; Y76-H80 WeakPolarHBondContact CE2-CD2 3.15Å; Y76-H80 AromaticContact CE2-NE2 3.09Å; Y76-H80 WeakPolarHBondContact CE2-NE2 3.41Å; Y76-H80 AromaticContact CZ-CD2 3.25Å; Y76-H80 AromaticContact CZ-NE2 3.37Å; Y76-H80 WeakPolarHBondContact O-CB 3.41Å; Y76-H80 PolarHBondContact O-CD2 2.87Å; Y76-H80 PolarHBondContact O-N 3.5Å; Y76-H80 PolarHBondContact OH-NE2 2.76Å; Y76-I91 HydrophobicContact CE1-CD1 4.06Å; Y76-F128 HydrophobicContact CD2-CE1 4.43Å; Y76-F128 WeakPolarHBondContact CD2-O 3.35Å; Y76-F128 HydrophobicContact CE1-CE1 4.01Å; Y76-F128 HydrophobicContact CE2-CD1 4.15Å; Y76-F128 AromaticContact CE2-CE1 3.55Å; Y76-F128 HydrophobicContact CE2-CE1 3.55Å; Y76-F128 HydrophobicContact CE2-CE2 4.15Å; Y76-F128 AromaticContact CE2-CZ 3.55Å; Y76-F128 HydrophobicContact CE2-CZ 3.55Å; Y76-F128 AromaticContact CZ-CE1 3.32Å; Y76-F128 AromaticContact CZ-CZ 3.59Å; Y76-F128 VanDerWaalsContact OH-CE1 3.3Å; Y76-F128 WeakPolarHBondContact OH-CE1 3.33Å; Y76-F128 VanDerWaalsContact OH-CZ 3.29Å; Y76-F128 WeakPolarHBondContact OH-CZ 3.28Å; Y76-L129 WeakPolarHBondContact CB-O 3.4Å; Y76-L129 HydrophobicContact CD1-CD2 3.4Å; Y76-L129 VanDerWaalsContact CD1-CD2 3.4Å; Y76-L129 HydrophobicContact CE1-CD2 3.68Å; Y76-L129 HydrophobicContact CG-CD2 4.07Å
77F87.4Confident76.5Confident3 Ų364.1 Ų64.11%0.01338%0.376CS..Hα-helixtrans-73.3-43.7177-66.6-60.4000111.8L70 S74 P75 D79 H80 L83 L89 I91 F100 L129L70-F77 HydrophobicContact CB-CB 4Å; L70-F77 HydrophobicContact CB-CD2 3.68Å; L70-F77 HydrophobicContact CB-CE2 4.32Å; L70-F77 HydrophobicContact CB-CG 3.87Å; L70-F77 HydrophobicContact CD1-CD1 4.34Å; L70-F77 HydrophobicContact CD1-CD2 4.38Å; L70-F77 HydrophobicContact CD1-CE1 4.35Å; L70-F77 HydrophobicContact CD1-CE2 4.4Å; L70-F77 HydrophobicContact CD1-CG 4.37Å; L70-F77 HydrophobicContact CD1-CZ 4.38Å; L70-F77 HydrophobicContact CD2-CD2 4.04Å; L70-F77 HydrophobicContact CD2-CE2 3.81Å; L70-F77 HydrophobicContact CD2-CZ 4.36Å; L70-F77 HydrophobicContact CG-CD2 4.25Å; L70-F77 HydrophobicContact CG-CE2 4.41Å; S74-F77 PolarHBondContact O-N 3.43Å; S74-F77 WeakPolarHBondContact OG-CD2 3.5Å; P75-F77 VanDerWaalsContact C-N 3.29Å; P75-F77 PolarHBondContact O-N 3.12Å; F77-D79 VanDerWaalsContact C-N 3.27Å; F77-D79 PolarHBondContact O-N 3.41Å; F77-H80 PolarHBondContact O-N 3.31Å; F77-L83 HydrophobicContact CB-CD2 4.49Å; F77-L83 WeakPolarHBondContact O-CD1 3.31Å; F77-L83 VanDerWaalsContact O-CG 3.28Å; F77-L83 WeakPolarHBondContact O-CG 3.25Å; F77-L89 HydrophobicContact CD1-CD2 3.81Å; F77-L89 HydrophobicContact CE1-CD2 3.58Å; F77-I91 HydrophobicContact CE1-CD1 4.11Å; F77-I91 HydrophobicContact CZ-CD1 4.41Å; F77-F100 HydrophobicContact CZ-CE2 4.23Å; F77-F100 HydrophobicContact CZ-CZ 4.38Å; F77-L129 HydrophobicContact CE1-CD2 4.15Å; F77-L129 HydrophobicContact CE2-CD1 4.26Å; F77-L129 HydrophobicContact CE2-CD2 3.9Å; F77-L129 HydrophobicContact CZ-CD1 4.27Å; F77-L129 HydrophobicContact CZ-CD2 3.55Å
78R85.4Confident75.6Confident148 Ų14862.4 Ų62.456%0.55837%0.373SS*.Hα-helixtrans-55.4-42.3179.8-173.5-169.766.3-149.1-9.7112.5A71 S74 P75A71-R78 HydrophobicContact CB-CB 3.93Å; A71-R78 HydrophobicContact CB-CG 4.36Å; S74-R78 PolarHBondContact O-N 2.83Å; P75-R78 PolarHBondContact O-N 2.91Å; P75-R78 VanDerWaalsContact O-N 3.16Å
79D78.3Confident75.4Confident99 Ų9959.1 Ų59.153%0.52935%0.345SS..Hα-helixtrans-91-8-170.7-57.8-15.7000112.4P75 F77P75-D79 WeakPolarHBondContact O-CB 3.45Å; P75-D79 PolarHBondContact O-N 3.15Å; F77-D79 VanDerWaalsContact C-N 3.27Å; F77-D79 PolarHBondContact O-N 3.41Å
80H71.4Confident75.1Confident79 Ų7963.4 Ų63.437%0.36638%0.375SS..  trans-88113.9178.6-97.8-48.7000113.8Y76 F77 A82 L83Y76-H80 AromaticContact CD2-CD2 3.69Å; Y76-H80 AromaticContact CD2-NE2 3.77Å; Y76-H80 AromaticContact CE1-CD2 3.7Å; Y76-H80 AromaticContact CE2-CD2 3.29Å; Y76-H80 WeakPolarHBondContact CE2-CD2 3.15Å; Y76-H80 AromaticContact CE2-NE2 3.09Å; Y76-H80 WeakPolarHBondContact CE2-NE2 3.41Å; Y76-H80 AromaticContact CZ-CD2 3.25Å; Y76-H80 AromaticContact CZ-NE2 3.37Å; Y76-H80 WeakPolarHBondContact O-CB 3.41Å; Y76-H80 PolarHBondContact O-CD2 2.87Å; Y76-H80 PolarHBondContact O-N 3.5Å; Y76-H80 PolarHBondContact OH-NE2 2.76Å; F77-H80 PolarHBondContact O-N 3.31Å; H80-A82 PolarHBondContact O-N 3.36Å; H80-L83 PolarHBondContact O-N 3.25Å
81S54.3Low74.9Confident97 Ų9763.5 Ų63.568%0.67838%0.375SS*.G310 helixtrans-53.2-21.4175.4-33.80000114.7L83 N84S81-L83 PolarHBondContact O-N 2.92Å; S81-N84 WeakPolarHBondContact O-CB 3.22Å; S81-N84 PolarHBondContact O-N 2.87Å
82A52.5Low74.7Confident30 Ų3066.9 Ų66.925%0.24840%0.397CS..G310 helixtrans-66.9-13.2176.600000114.2H80 N84 T85 L89H80-A82 PolarHBondContact O-N 3.36Å; A82-N84 PolarHBondContact O-N 2.91Å; A82-T85 WeakPolarHBondContact CA-OG1 3.24Å; A82-T85 PolarHBondContact O-N 2.66Å; A82-T85 PolarHBondContact O-OG1 2.67Å; A82-L89 HydrophobicContact CB-CD1 3.64Å
83L58Low74.6Confident15 Ų1566 Ų668%0.07938%0.383CS..G310 helixtrans-60.6-24.5165.4-68.4-162.1000112.6I54 K67 F77 H80 S81I54-L83 HydrophobicContact CD1-CD2 3.33Å; K67-L83 HydrophobicContact CB-CD1 4.39Å; K67-L83 HydrophobicContact CD-CB 4.23Å; K67-L83 WeakPolarHBondContact CD-O 3.33Å; K67-L83 WeakPolarHBondContact CE-O 3.39Å; K67-L83 HydrophobicContact CG-CD1 4.49Å; K67-L83 HydrophobicContact CG-CD2 4.39Å; K67-L83 PolarHBondContact NZ-O 3.1Å; F77-L83 HydrophobicContact CB-CD2 4.49Å; F77-L83 WeakPolarHBondContact O-CD1 3.31Å; F77-L83 VanDerWaalsContact O-CG 3.28Å; F77-L83 WeakPolarHBondContact O-CG 3.25Å; H80-L83 PolarHBondContact O-N 3.25Å; S81-L83 PolarHBondContact O-N 2.92Å
84N57.3Low74.5Confident137 Ų13764.3 Ų64.373%0.73337%0.371SS*.G310 helixtrans-91.3-9.5-178.5-64.2-15.9000113.5S81 A82S81-N84 WeakPolarHBondContact O-CB 3.22Å; S81-N84 PolarHBondContact O-N 2.87Å; A82-N84 PolarHBondContact O-N 2.91Å
85T57Low74.3Confident70 Ų7072.6 Ų72.643%0.42941%0.406SS..  trans-88.7126-179.246.20000112.3A82 S87 G88A82-T85 WeakPolarHBondContact CA-OG1 3.24Å; A82-T85 PolarHBondContact O-N 2.66Å; A82-T85 PolarHBondContact O-OG1 2.67Å; T85-S87 PolarHBondContact O-N 3.06Å; T85-G88 PolarHBondContact O-N 3.36Å
86M50.3Low74.2Confident203 Ų20371.4 Ų71.4100%140%0.399SS*.THydrogen-bonded Turntrans-59.3-13.1-178.2-63.3-69.4-76.400115G88M86-G88 VanDerWaalsContact C-N 3.34Å
87S60.3Low74.2Confident99 Ų9971.5 Ų71.569%0.69240%0.403SS*.THydrogen-bonded Turntrans-80.2-7-179.1520000115T85T85-S87 PolarHBondContact O-N 3.06Å
88G70.3Confident74.3Confident17 Ų1777.8 Ų77.818%0.17543%0.432CS..  trans75.4179.3-169.500000113.3I55 T85 M86I55-G88 VanDerWaalsContact O-CA 3.28Å; I55-G88 WeakPolarHBondContact O-CA 3.48Å; T85-G88 PolarHBondContact O-N 3.36Å; M86-G88 VanDerWaalsContact C-N 3.34Å
89L83.5Confident74.6Confident12 Ų1271 Ų716%0.06341%0.407CS..EExtended strand (participates in β ladder)trans-113123.2-172.7175.373000110.6I54 I55 V56 H57 F77 A82 I91I54-L89 HydrophobicContact CD1-CB 4.17Å; I55-L89 PolarHBondContact O-N 2.65Å; V56-L89 CarbonylContact C-O 3.39Å; V56-L89 VanDerWaalsContact CA-O 3.28Å; V56-L89 WeakPolarHBondContact CA-O 3.32Å; V56-L89 HydrophobicContact CG1-CD2 4.34Å; V56-L89 HydrophobicContact CG2-CB 4.5Å; V56-L89 HydrophobicContact CG2-CD2 4.33Å; H57-L89 PolarHBondContact N-O 3.49Å; F77-L89 HydrophobicContact CD1-CD2 3.81Å; F77-L89 HydrophobicContact CE1-CD2 3.58Å; A82-L89 HydrophobicContact CB-CD1 3.64Å; L89-I91 HydrophobicContact CD2-CD1 4.03Å; L89-I91 HydrophobicContact CD2-CG1 4.24Å; L89-I91 HydrophobicContact CG-CG1 4.2Å
90S85.1Confident75.2Confident101 Ų10166.4 Ų66.471%0.70638%0.382SS*.EExtended strand (participates in β ladder)trans-101.4122.8176.255.40000112.3H57H57-S90 WeakPolarHBondContact O-CA 3.29Å
91I86.8Confident76.1Confident4 Ų465 Ų652%0.02138%0.376CS..EExtended strand (participates in β ladder)trans-114.8104.5178-59.4176.7000109.1V56 H57 I58 Y76 F77 L89 I94 F128 L129V56-I91 HydrophobicContact CG1-CD1 3.84Å; V56-I91 HydrophobicContact CG1-CG1 4.2Å; H57-I91 PolarHBondContact O-N 3.28Å; I58-I91 HydrophobicContact CD1-CB 3.78Å; I58-I91 HydrophobicContact CD1-CD1 4.35Å; I58-I91 HydrophobicContact CD1-CG2 4.01Å; I58-I91 HydrophobicContact CG1-CB 4.49Å; Y76-I91 HydrophobicContact CE1-CD1 4.06Å; F77-I91 HydrophobicContact CE1-CD1 4.11Å; F77-I91 HydrophobicContact CZ-CD1 4.41Å; L89-I91 HydrophobicContact CD2-CD1 4.03Å; L89-I91 HydrophobicContact CD2-CG1 4.24Å; L89-I91 HydrophobicContact CG-CG1 4.2Å; I91-I94 HydrophobicContact CG2-CB 4.27Å; I91-I94 HydrophobicContact CG2-CD1 3.91Å; I91-I94 HydrophobicContact CG2-CG1 3.84Å; I91-F128 HydrophobicContact CD1-CE1 4.35Å; I91-F128 HydrophobicContact CG1-CE1 4.37Å; I91-F128 HydrophobicContact CG2-CD1 4.13Å; I91-F128 HydrophobicContact CG2-CE1 3.54Å; I91-F128 HydrophobicContact CG2-CZ 4.28Å; I91-L129 HydrophobicContact CD1-CD2 4.13Å
92S85.1Confident77.8Confident98 Ų9863.5 Ų63.569%0.68536%0.358SS*.  trans-88.9-16.7-179.956.40000114.3Q59Q59-S92 PolarHBondContact NE2-O 2.98Å; Q59-S92 VanDerWaalsContact NE2-O 3.1Å
93V86.6Confident79.7Confident66 Ų6662.2 Ų62.240%0.435%0.347SS..SBendtrans-69.5-36.9-177.3178.70000111.9K95 F128V93-K95 PolarHBondContact O-N 3.27Å; V93-F128 HydrophobicContact CB-CD2 4.14Å; V93-F128 HydrophobicContact CB-CE2 4.13Å; V93-F128 HydrophobicContact CB-CG 4.37Å; V93-F128 HydrophobicContact CB-CZ 4.34Å; V93-F128 HydrophobicContact CG1-CD2 3.97Å; V93-F128 HydrophobicContact CG1-CE2 4.42Å; V93-F128 HydrophobicContact CG1-CG 4.19Å; V93-F128 HydrophobicContact CG2-CD2 4.07Å; V93-F128 HydrophobicContact CG2-CE2 3.66Å; V93-F128 HydrophobicContact CG2-CZ 4Å
94I87.9Confident81.3Confident5 Ų561.6 Ų61.63%0.02634%0.344CS..  trans-80.2118.6179.4-58.2176.7000108.7I58 Q59 I91 S96 F100 A125 L129I58-I94 HydrophobicContact CD1-CB 3.9Å; I58-I94 HydrophobicContact CD1-CD1 3.75Å; I58-I94 HydrophobicContact CD1-CG1 4.3Å; I58-I94 HydrophobicContact CD1-CG2 4.22Å; I58-I94 HydrophobicContact CG2-CB 4.16Å; I58-I94 HydrophobicContact CG2-CG2 4.08Å; Q59-I94 PolarHBondContact NE2-O 3.35Å; I91-I94 HydrophobicContact CG2-CB 4.27Å; I91-I94 HydrophobicContact CG2-CD1 3.91Å; I91-I94 HydrophobicContact CG2-CG1 3.84Å; I94-S96 WeakPolarHBondContact CG2-O 3.45Å; I94-F100 HydrophobicContact CD1-CD2 3.89Å; I94-F100 HydrophobicContact CG2-CB 4.31Å; I94-A125 HydrophobicContact CD1-CB 3.76Å; I94-A125 HydrophobicContact CG1-CB 3.75Å; I94-A125 HydrophobicContact CG2-CB 4.16Å; I94-L129 HydrophobicContact CD1-CD1 4.3Å; I94-L129 HydrophobicContact CD1-CG 4.43Å
95K85Confident82.8Confident175 Ų17556 Ų5676%0.76132%0.317SS*.  trans-94.4-25.7-172.3-64.2-176.5-172.4179.50115V93V93-K95 PolarHBondContact O-N 3.27Å
96S87.1Confident84.4Confident19 Ų1954.7 Ų54.713%0.13331%0.305CS..  trans-103.6122.5173.2171.30000109I94 E98 V99I94-S96 WeakPolarHBondContact CG2-O 3.45Å; S96-E98 VanDerWaalsContact C-N 3.33Å; S96-E98 PolarHBondContact OG-N 3.42Å; S96-V99 PolarHBondContact OG-N 2.82Å
97P89.4Confident86.3Confident25 Ų2545.6 Ų45.616%0.16226%0.261CS..Hα-helixtrans-70.1-31.317427.7-32.1000112F63 V99 F100 E101F63-P97 HydrophobicContact CE2-CB 4.09Å; F63-P97 HydrophobicContact CZ-CB 3.84Å; P97-V99 VanDerWaalsContact C-N 3.31Å; P97-V99 PolarHBondContact O-N 2.79Å; P97-F100 WeakPolarHBondContact O-CA 3.48Å; P97-F100 WeakPolarHBondContact O-CB 3.24Å; P97-F100 PolarHBondContact O-N 3.22Å; P97-E101 PolarHBondContact O-N 3.04Å
98E89.5Confident87.8Confident135 Ų13541 Ų4163%0.63123%0.229SC*.Hα-helixtrans-60.8-41.7177.4-61.6162.1-17400111.2S96 F100 E101 Q102S96-E98 VanDerWaalsContact C-N 3.33Å; S96-E98 PolarHBondContact OG-N 3.42Å; E98-F100 VanDerWaalsContact C-N 3.27Å; E98-F100 PolarHBondContact O-N 3.33Å; E98-E101 PolarHBondContact O-N 3.41Å; E98-Q102 WeakPolarHBondContact O-CG 3.34Å; E98-Q102 PolarHBondContact O-N 3.46Å
99V90.6Very high88.7Confident5 Ų543.3 Ų43.33%0.0324%0.239CC..Hα-helixtrans-61.7-34.8173.8165.90000111.9S96 P97 L103 D118 F122 A125S96-V99 PolarHBondContact OG-N 2.82Å; P97-V99 VanDerWaalsContact C-N 3.31Å; P97-V99 PolarHBondContact O-N 2.79Å; V99-L103 HydrophobicContact CG1-CD1 4.37Å; V99-L103 WeakPolarHBondContact O-CG 3.48Å; V99-L103 PolarHBondContact O-N 2.76Å; V99-D118 HydrophobicContact CG2-CB 3.96Å; V99-F122 HydrophobicContact CG1-CB 4.02Å; V99-F122 HydrophobicContact CG1-CD2 4.25Å; V99-A125 HydrophobicContact CG1-CB 4.06Å
100F91.6Very high88.7Confident2 Ų244.4 Ų44.41%0.00925%0.254CS..Hα-helixtrans-73.7-39.7175.5-175.3-107.1000112.2V56 I58 F63 F77 I94 P97 E98 Q102 L103 L104 L129V56-F100 HydrophobicContact CB-CE1 4.19Å; V56-F100 HydrophobicContact CB-CZ 4.16Å; V56-F100 HydrophobicContact CG1-CE1 4.08Å; V56-F100 HydrophobicContact CG1-CZ 3.81Å; V56-F100 HydrophobicContact CG2-CZ 4.48Å; I58-F100 HydrophobicContact CD1-CB 3.89Å; I58-F100 HydrophobicContact CD1-CD1 3.88Å; I58-F100 HydrophobicContact CD1-CD2 3.54Å; I58-F100 HydrophobicContact CD1-CE1 4.3Å; I58-F100 HydrophobicContact CD1-CE2 4Å; I58-F100 HydrophobicContact CD1-CG 3.47Å; I58-F100 VanDerWaalsContact CD1-CG 3.47Å; I58-F100 HydrophobicContact CD1-CZ 4.36Å; I58-F100 HydrophobicContact CG1-CB 4.27Å; I58-F100 HydrophobicContact CG1-CD1 3.75Å; I58-F100 HydrophobicContact CG1-CD2 4.33Å; I58-F100 HydrophobicContact CG1-CE1 4.15Å; I58-F100 HydrophobicContact CG1-CG 3.84Å; F63-F100 HydrophobicContact CB-CD1 4.21Å; F63-F100 HydrophobicContact CB-CE1 3.79Å; F63-F100 HydrophobicContact CD1-CD1 4.14Å; F63-F100 HydrophobicContact CD1-CE1 4.49Å; F63-F100 AromaticContact CD2-CD1 3.78Å; F63-F100 HydrophobicContact CD2-CD1 3.78Å; F63-F100 HydrophobicContact CD2-CE1 4.12Å; F63-F100 HydrophobicContact CE2-CD1 4.23Å; F63-F100 AromaticContact CG-CD1 3.74Å; F63-F100 HydrophobicContact CG-CD1 3.74Å; F63-F100 AromaticContact CG-CE1 3.86Å; F63-F100 HydrophobicContact CG-CE1 3.86Å; F77-F100 HydrophobicContact CZ-CE2 4.23Å; F77-F100 HydrophobicContact CZ-CZ 4.38Å; I94-F100 HydrophobicContact CD1-CD2 3.89Å; I94-F100 HydrophobicContact CG2-CB 4.31Å; P97-F100 WeakPolarHBondContact O-CA 3.48Å; P97-F100 WeakPolarHBondContact O-CB 3.24Å; P97-F100 PolarHBondContact O-N 3.22Å; E98-F100 VanDerWaalsContact C-N 3.27Å; E98-F100 PolarHBondContact O-N 3.33Å; F100-Q102 VanDerWaalsContact C-N 3.29Å; F100-Q102 PolarHBondContact O-N 2.87Å; F100-L103 PolarHBondContact O-N 3.25Å; F100-L104 HydrophobicContact CE1-CB 4.45Å; F100-L104 HydrophobicContact CE1-CD2 4.09Å; F100-L104 VanDerWaalsContact O-CB 3.24Å; F100-L104 WeakPolarHBondContact O-CB 3.33Å; F100-L104 PolarHBondContact O-N 2.87Å; F100-L129 HydrophobicContact CD2-CD1 4.32Å; F100-L129 HydrophobicContact CE2-CD1 4.03Å
101E90.9Very high88.5Confident49 Ų4942.9 Ų42.923%0.22924%0.236CC..Hα-helixtrans-64.1-34.1175-175.856.6-156.100111.8R46 F63 P97 E98 L104 A105R46-E101 IonicContact CZ-OE1 3.72Å; R46-E101 VanDerWaalsContact NH1-CD 3.32Å; R46-E101 IonicContact NH1-OE1 2.69Å; R46-E101 PolarHBondContact NH1-OE1 2.92Å; R46-E101 IonicContact NH1-OE2 2.68Å; R46-E101 PolarHBondContact NH1-OE2 3.29Å; R46-E101 IonicContact NH2-OE1 3.75Å; R46-E101 PolarHBondContact NH2-OE1 3.13Å; F63-E101 WeakPolarHBondContact CD1-OE2 3.32Å; F63-E101 HydrophobicContact CE1-CB 3.97Å; P97-E101 PolarHBondContact O-N 3.04Å; E98-E101 PolarHBondContact O-N 3.41Å; E101-L104 PolarHBondContact O-N 3.39Å; E101-A105 WeakPolarHBondContact O-CB 3.49Å; E101-A105 PolarHBondContact O-N 3.08Å
102Q90.3Very high88.4Confident67 Ų6742.9 Ų42.931%0.31324%0.235SC..Hα-helixtrans-65.7-43.3171.9-69.7-64.1-34.500112.6E98 F100 F106 S113E98-Q102 WeakPolarHBondContact O-CG 3.34Å; E98-Q102 PolarHBondContact O-N 3.46Å; F100-Q102 VanDerWaalsContact C-N 3.29Å; F100-Q102 PolarHBondContact O-N 2.87Å; Q102-F106 WeakPolarHBondContact O-CB 3.48Å; Q102-F106 PolarHBondContact O-N 2.81Å; Q102-S113 PolarHBondContact OE1-O 2.95Å; Q102-S113 PolarHBondContact OE1-OG 3.43Å
103L91.3Very high88.1Confident2 Ų240.1 Ų40.11%0.0122%0.216CC..Hα-helixtrans-64.6-41.3173.9-75.4165.6000111.6V99 F100 F106 C107 F122 A125 A126 L129 M131 I134V99-L103 HydrophobicContact CG1-CD1 4.37Å; V99-L103 WeakPolarHBondContact O-CG 3.48Å; V99-L103 PolarHBondContact O-N 2.76Å; F100-L103 PolarHBondContact O-N 3.25Å; L103-F106 PolarHBondContact O-N 3.34Å; L103-C107 PolarHBondContact O-N 2.92Å; L103-C107 PolarHBondContact O-SG 2.89Å; L103-F122 HydrophobicContact CD1-CD2 4.42Å; L103-F122 HydrophobicContact CD1-CE2 4.5Å; L103-F122 HydrophobicContact CD2-CD2 4.14Å; L103-F122 HydrophobicContact CD2-CE1 4.49Å; L103-F122 HydrophobicContact CD2-CE2 3.46Å; L103-F122 VanDerWaalsContact CD2-CE2 3.46Å; L103-F122 HydrophobicContact CD2-CZ 3.67Å; L103-F122 HydrophobicContact CG-CD2 4.05Å; L103-F122 HydrophobicContact CG-CE2 3.71Å; L103-F122 HydrophobicContact CG-CZ 4.42Å; L103-A125 HydrophobicContact CD1-CB 3.55Å; L103-A126 HydrophobicContact CD2-CB 4.2Å; L103-L129 HydrophobicContact CD1-CD1 4.33Å; L103-M131 HydrophobicContact CD2-SD 4.24Å; L103-I134 HydrophobicContact CD2-CD1 3.91Å; L103-I134 HydrophobicContact CD2-CG2 4.38Å
104L91.3Very high87.8Confident3 Ų337.6 Ų37.62%0.01620%0.2CC..Hα-helixtrans-66.2-43.6178.6-17857.3000111.3R46 F63 A65 L70 F100 E101 C107 Y108R46-L104 VanDerWaalsContact NH1-CD2 3.32Å; F63-L104 HydrophobicContact CB-CD2 4.05Å; F63-L104 HydrophobicContact CD1-CD2 4.3Å; A65-L104 HydrophobicContact CB-CD1 3.98Å; L70-L104 HydrophobicContact CD2-CD1 3.71Å; F100-L104 HydrophobicContact CE1-CB 4.45Å; F100-L104 HydrophobicContact CE1-CD2 4.09Å; F100-L104 VanDerWaalsContact O-CB 3.24Å; F100-L104 WeakPolarHBondContact O-CB 3.33Å; F100-L104 PolarHBondContact O-N 2.87Å; E101-L104 PolarHBondContact O-N 3.39Å; L104-C107 WeakPolarHBondContact O-CB 3.07Å; L104-C107 PolarHBondContact O-N 2.72Å; L104-Y108 HydrophobicContact CD1-CE2 3.96Å; L104-Y108 VanDerWaalsContact O-CD2 3.25Å; L104-Y108 WeakPolarHBondContact O-CD2 3.49Å
105A89.6Confident87.5Confident20 Ų2039.7 Ų39.717%0.16521%0.21CC..Hα-helixtrans-61.1-44.7174.300000111.6E101 C107 Y108 T109E101-A105 WeakPolarHBondContact O-CB 3.49Å; E101-A105 PolarHBondContact O-N 3.08Å; A105-C107 PolarHBondContact O-N 2.79Å; A105-Y108 PolarHBondContact O-N 3.44Å; A105-T109 PolarHBondContact O-N 3Å; A105-T109 PolarHBondContact O-OG1 2.97Å; A105-T109 VanDerWaalsContact O-OG1 3.1Å
106F90.6Very high87.2Confident42 Ų4233.4 Ų33.418%0.18418%0.184CC..Hα-helixtrans-55.4-34.8175.6175.2-88000112.7Q102 L103 Y108 T109 G110 M112 I134Q102-F106 WeakPolarHBondContact O-CB 3.48Å; Q102-F106 PolarHBondContact O-N 2.81Å; L103-F106 PolarHBondContact O-N 3.34Å; F106-Y108 PolarHBondContact O-N 2.77Å; F106-Y108 VanDerWaalsContact O-N 3.13Å; F106-T109 PolarHBondContact O-N 3.18Å; F106-G110 VanDerWaalsContact CD2-C 3.44Å; F106-G110 VanDerWaalsContact CE2-C 3.44Å; F106-G110 WeakPolarHBondContact CE2-O 3.42Å; F106-G110 WeakPolarHBondContact O-CA 3.11Å; F106-G110 PolarHBondContact O-N 2.6Å; F106-M112 HydrophobicContact CD2-CB 4.13Å; F106-M112 HydrophobicContact CD2-CE 3.34Å; F106-M112 HydrophobicContact CE2-CE 3.32Å; F106-M112 HydrophobicContact CG-CE 4.02Å; F106-M112 HydrophobicContact CZ-CE 4.01Å; F106-I134 HydrophobicContact CD1-CD1 3.39Å; F106-I134 HydrophobicContact CD1-CG1 3.99Å; F106-I134 HydrophobicContact CE1-CD1 3.44Å; F106-I134 VanDerWaalsContact CE1-CD1 3.44Å; F106-I134 HydrophobicContact CE1-CG1 3.53Å; F106-I134 HydrophobicContact CG-CD1 4.16Å; F106-I134 HydrophobicContact CZ-CD1 4.23Å; F106-I134 HydrophobicContact CZ-CG1 3.88Å
107C90.6Very high86.9Confident11 Ų1137.9 Ų37.97%0.07420%0.202CC..Hα-helixtrans-61.7-19.7177.1-60.50000113.7V69 S73 L103 L104 A105V69-C107 HydrophobicContact CG1-CB 4.1Å; V69-C107 VanDerWaalsContact CG1-O 3.29Å; V69-C107 WeakPolarHBondContact CG1-O 3.32Å; S73-C107 VanDerWaalsContact CB-SG 3.58Å; S73-C107 WeakPolarHBondContact OG-CB 3.36Å; L103-C107 PolarHBondContact O-N 2.92Å; L103-C107 PolarHBondContact O-SG 2.89Å; L104-C107 WeakPolarHBondContact O-CB 3.07Å; L104-C107 PolarHBondContact O-N 2.72Å; A105-C107 PolarHBondContact O-N 2.79Å
108Y91.3Very high86.7Confident3 Ų338.1 Ų38.11%0.01220%0.202CC..Hα-helixtrans-111.1-24.9177-61.3-105.6000113.5L39 L42 N43 H66 V69 L104 A105 F106L39-Y108 VanDerWaalsContact CB-O 3.24Å; L39-Y108 WeakPolarHBondContact CB-O 3.41Å; L42-Y108 HydrophobicContact CB-CD1 3.82Å; L42-Y108 HydrophobicContact CB-CE1 3.93Å; N43-Y108 HydrophobicContact CB-CD1 4.16Å; N43-Y108 HydrophobicContact CB-CG 4.06Å; H66-Y108 PolarHBondContact N-OH 3.23Å; H66-Y108 AromaticContact ND1-CE1 3.54Å; H66-Y108 AromaticContact ND1-CZ 3.74Å; H66-Y108 PolarHBondContact ND1-OH 3.41Å; H66-Y108 VanDerWaalsContact ND1-OH 3.09Å; V69-Y108 HydrophobicContact CB-CE1 4.1Å; V69-Y108 HydrophobicContact CG1-CD1 4.11Å; V69-Y108 HydrophobicContact CG1-CD2 4.11Å; V69-Y108 HydrophobicContact CG1-CE1 3.92Å; V69-Y108 HydrophobicContact CG1-CE2 3.89Å; V69-Y108 HydrophobicContact CG1-CG 4.19Å; V69-Y108 HydrophobicContact CG2-CD1 4.34Å; V69-Y108 HydrophobicContact CG2-CE1 3.79Å; L104-Y108 HydrophobicContact CD1-CE2 3.96Å; L104-Y108 VanDerWaalsContact O-CD2 3.25Å; L104-Y108 WeakPolarHBondContact O-CD2 3.49Å; A105-Y108 PolarHBondContact O-N 3.44Å; F106-Y108 PolarHBondContact O-N 2.77Å; F106-Y108 VanDerWaalsContact O-N 3.13Å
109T87.8Confident86.5Confident65 Ų6532.2 Ų32.240%0.39917%0.174SC..Hα-helixtrans-108.4-16.8-174.263.70000114.3A105 F106 H111A105-T109 PolarHBondContact O-N 3Å; A105-T109 PolarHBondContact O-OG1 2.97Å; A105-T109 VanDerWaalsContact O-OG1 3.1Å; F106-T109 PolarHBondContact O-N 3.18Å; T109-H111 PolarHBondContact O-N 3.27Å; T109-H111 VanDerWaalsContact O-N 3.08Å; T109-H111 PolarHBondContact OG1-N 2.67Å; T109-H111 VanDerWaalsContact OG1-N 3.16Å; T109-H111 PolarHBondContact OG1-O 3.13Å
110G84.2Confident86.2Confident36 Ų3635.1 Ų35.137%0.37119%0.189SC..SBendtrans63.65.1-168.300000114.4F106F106-G110 VanDerWaalsContact CD2-C 3.44Å; F106-G110 VanDerWaalsContact CE2-C 3.44Å; F106-G110 WeakPolarHBondContact CE2-O 3.42Å; F106-G110 WeakPolarHBondContact O-CA 3.11Å; F106-G110 PolarHBondContact O-N 2.6Å
111H82Confident86Confident69 Ų6937.4 Ų37.432%0.31921%0.205SC..  trans-117.2138.6-176.1-174.6-82.2000110.6T109T109-H111 PolarHBondContact O-N 3.27Å; T109-H111 VanDerWaalsContact O-N 3.08Å; T109-H111 PolarHBondContact OG1-N 2.67Å; T109-H111 VanDerWaalsContact OG1-N 3.16Å; T109-H111 PolarHBondContact OG1-O 3.13Å
112M83.4Confident86Confident3 Ų335.1 Ų35.12%0.01519%0.194CC..EExtended strand (participates in β ladder)trans-131.7144.3175.269.3-174.372.800111.1F106 F122 I134 V288F106-M112 HydrophobicContact CD2-CB 4.13Å; F106-M112 HydrophobicContact CD2-CE 3.34Å; F106-M112 HydrophobicContact CE2-CE 3.32Å; F106-M112 HydrophobicContact CG-CE 4.02Å; F106-M112 HydrophobicContact CZ-CE 4.01Å; M112-F122 HydrophobicContact CE-CZ 4.44Å; M112-F122 HydrophobicContact SD-CE1 4.39Å; M112-F122 HydrophobicContact SD-CZ 3.72Å; M112-I134 HydrophobicContact CE-CB 4.39Å; M112-I134 HydrophobicContact CE-CD1 4.5Å; M112-I134 HydrophobicContact CE-CG1 4.07Å; M112-I134 HydrophobicContact CE-CG2 3.88Å; M112-I134 HydrophobicContact SD-CG2 4.37Å; M112-V288 HydrophobicContact CG-CB 3.74Å; M112-V288 HydrophobicContact CG-CG1 4.23Å; M112-V288 HydrophobicContact CG-CG2 4.35Å; M112-V288 PolarHBondContact O-N 3.15Å
113S79.1Confident85.9Confident40 Ų4033.7 Ų33.728%0.2819%0.189SC..EExtended strand (participates in β ladder)trans-121.6116.9167.449.90000108.3Q102Q102-S113 PolarHBondContact OE1-O 2.95Å; Q102-S113 PolarHBondContact OE1-OG 3.43Å
114L79.9Confident85.9Confident13 Ų1337 Ų377%0.06821%0.209CC..EExtended strand (participates in β ladder)trans-125.3122.3-171.3179.859.3000110.4D118 I119 F122 V286L114-D118 HydrophobicContact CD1-CB 4.23Å; L114-I119 HydrophobicContact CD2-CB 4.33Å; L114-I119 HydrophobicContact CD2-CD1 3.88Å; L114-I119 HydrophobicContact CD2-CG1 3.86Å; L114-F122 HydrophobicContact CD1-CB 3.75Å; L114-F122 HydrophobicContact CD1-CD2 3.83Å; L114-F122 HydrophobicContact CD1-CG 3.86Å; L114-F122 HydrophobicContact CD2-CB 3.87Å; L114-F122 HydrophobicContact CD2-CD1 3.48Å; L114-F122 VanDerWaalsContact CD2-CD1 3.48Å; L114-F122 HydrophobicContact CD2-CD2 3.94Å; L114-F122 HydrophobicContact CD2-CE1 3.92Å; L114-F122 HydrophobicContact CD2-CE2 4.32Å; L114-F122 HydrophobicContact CD2-CG 3.49Å; L114-F122 VanDerWaalsContact CD2-CG 3.49Å; L114-F122 HydrophobicContact CD2-CZ 4.3Å; L114-F122 HydrophobicContact CG-CB 4.49Å; L114-F122 HydrophobicContact CG-CD2 4.47Å; L114-F122 HydrophobicContact CG-CG 4.33Å; L114-V286 PolarHBondContact N-O 3.42Å
115Q81.1Confident85.9Confident50 Ų5037 Ų3723%0.23421%0.209CC..  trans-74.3136.5172.1-60-152.912.200110.5K117 D118 E283Q115-K117 HydrophobicContact CB-CD 4.35Å; Q115-K117 HydrophobicContact CB-CG 4.05Å; Q115-K117 PolarHBondContact O-N 2.89Å; Q115-K117 VanDerWaalsContact O-N 3.07Å; Q115-D118 PolarHBondContact O-N 2.95Å; Q115-E283 PolarHBondContact NE2-OE2 3.37Å; Q115-E283 PolarHBondContact OE1-OE1 2.96Å
116L79.8Confident85.9Confident42 Ų4236 Ų3622%0.2220%0.202CC..G310 helixtrans-59.7-23.7-178.6-65.1173.6000113.2D118 I119 L142 I145 V286 I388L116-D118 VanDerWaalsContact C-N 3.28Å; L116-D118 PolarHBondContact O-N 3.47Å; L116-I119 WeakPolarHBondContact O-CG2 3.5Å; L116-L142 HydrophobicContact CD2-CD2 4.44Å; L116-I145 HydrophobicContact CD2-CD1 4.36Å; L116-V286 HydrophobicContact CD1-CG2 4.49Å; L116-V286 HydrophobicContact CD2-CG2 4.47Å; L116-V286 HydrophobicContact CG-CG2 4.25Å; L116-I388 HydrophobicContact CB-CB 4.44Å; L116-I388 HydrophobicContact CD1-CD1 4.38Å
117K81.3Confident86Confident113 Ų11337.7 Ų37.749%0.49122%0.218SC..G310 helixtrans-64.5-29.7175.177.5-164.3-175.1-159.50113.2Q115 E283 I388Q115-K117 HydrophobicContact CB-CD 4.35Å; Q115-K117 HydrophobicContact CB-CG 4.05Å; Q115-K117 PolarHBondContact O-N 2.89Å; Q115-K117 VanDerWaalsContact O-N 3.07Å; K117-E283 IonicContact NZ-OE1 2.76Å; K117-E283 PolarHBondContact NZ-OE1 3.02Å; K117-I388 WeakPolarHBondContact CA-O 3.29Å
118D84.1Confident86Confident31 Ų3140.1 Ų40.117%0.16623%0.228CC..G310 helixtrans-101.1-1-172.8-65.8-63.2000113.5V99 L114 Q115 L116 I120 S121 F122V99-D118 HydrophobicContact CG2-CB 3.96Å; L114-D118 HydrophobicContact CD1-CB 4.23Å; Q115-D118 PolarHBondContact O-N 2.95Å; L116-D118 VanDerWaalsContact C-N 3.28Å; L116-D118 PolarHBondContact O-N 3.47Å; D118-I120 VanDerWaalsContact C-N 3.28Å; D118-I120 PolarHBondContact O-N 2.89Å; D118-I120 VanDerWaalsContact O-N 3.16Å; D118-S121 WeakPolarHBondContact O-CA 2.99Å; D118-S121 VanDerWaalsContact O-CB 3.32Å; D118-S121 WeakPolarHBondContact O-CB 3.28Å; D118-S121 PolarHBondContact O-N 3.49Å; D118-F122 PolarHBondContact O-N 3.2Å
119I85.8Confident86Confident10 Ų1040 Ų405%0.05123%0.227CC..Hα-helixtrans-63.3-28.6-168.2-160.9144.5000114.2L114 L116 L123 L142 Y389L114-I119 HydrophobicContact CD2-CB 4.33Å; L114-I119 HydrophobicContact CD2-CD1 3.88Å; L114-I119 HydrophobicContact CD2-CG1 3.86Å; L116-I119 WeakPolarHBondContact O-CG2 3.5Å; I119-L123 HydrophobicContact CG1-CD1 4.07Å; I119-L123 HydrophobicContact CG1-CG 4.3Å; I119-L123 WeakPolarHBondContact O-CB 3.3Å; I119-L123 VanDerWaalsContact O-CG 3.24Å; I119-L123 WeakPolarHBondContact O-CG 3.45Å; I119-L123 PolarHBondContact O-N 3.16Å; I119-L142 HydrophobicContact CD1-CD1 3.74Å; I119-L142 HydrophobicContact CD1-CD2 3.87Å; I119-L142 HydrophobicContact CD1-CG 3.78Å; I119-L142 HydrophobicContact CG1-CD1 4.09Å; I119-Y389 HydrophobicContact CG2-CD1 3.85Å; I119-Y389 HydrophobicContact CG2-CE1 3.78Å
120I83.9Confident86.1Confident66 Ų6641.8 Ų41.834%0.33823%0.231SC..Hα-helixtrans-69.2-45.4171.9-59.9-176.4000110.6D118 F122 L123 T124 Y389 H407D118-I120 VanDerWaalsContact C-N 3.28Å; D118-I120 PolarHBondContact O-N 2.89Å; D118-I120 VanDerWaalsContact O-N 3.16Å; I120-F122 VanDerWaalsContact C-N 3.27Å; I120-F122 PolarHBondContact O-N 2.93Å; I120-L123 PolarHBondContact O-N 3.35Å; I120-T124 VanDerWaalsContact O-CB 3.29Å; I120-T124 WeakPolarHBondContact O-CB 3.3Å; I120-T124 PolarHBondContact O-N 3.35Å; I120-T124 PolarHBondContact O-OG1 3.05Å; I120-Y389 HydrophobicContact CD1-CD1 3.87Å; I120-Y389 HydrophobicContact CD1-CG 4.44Å; I120-Y389 HydrophobicContact CG1-CD1 3.76Å; I120-H407 HydrophobicContact CD1-CB 4.34Å; I120-H407 WeakPolarHBondContact CD1-ND1 3.4Å
121S87.5Confident86.4Confident50 Ų5040.6 Ų40.635%0.3522%0.216SC..Hα-helixtrans-60.3-41.8177.3-58.20000110.6D118 A125D118-S121 WeakPolarHBondContact O-CA 2.99Å; D118-S121 VanDerWaalsContact O-CB 3.32Å; D118-S121 WeakPolarHBondContact O-CB 3.28Å; D118-S121 PolarHBondContact O-N 3.49Å; S121-A125 WeakPolarHBondContact O-CB 3.33Å; S121-A125 PolarHBondContact O-N 3.13Å
122F90.4Very high86.8Confident1 Ų142.3 Ų42.30%0.00422%0.224CC..Hα-helixtrans-65.5-52.4176.2-179.4-87.6000113V99 L103 M112 L114 D118 I120 T124 A125 A126 I134 C138V99-F122 HydrophobicContact CG1-CB 4.02Å; V99-F122 HydrophobicContact CG1-CD2 4.25Å; L103-F122 HydrophobicContact CD1-CD2 4.42Å; L103-F122 HydrophobicContact CD1-CE2 4.5Å; L103-F122 HydrophobicContact CD2-CD2 4.14Å; L103-F122 HydrophobicContact CD2-CE1 4.49Å; L103-F122 HydrophobicContact CD2-CE2 3.46Å; L103-F122 VanDerWaalsContact CD2-CE2 3.46Å; L103-F122 HydrophobicContact CD2-CZ 3.67Å; L103-F122 HydrophobicContact CG-CD2 4.05Å; L103-F122 HydrophobicContact CG-CE2 3.71Å; L103-F122 HydrophobicContact CG-CZ 4.42Å; M112-F122 HydrophobicContact CE-CZ 4.44Å; M112-F122 HydrophobicContact SD-CE1 4.39Å; M112-F122 HydrophobicContact SD-CZ 3.72Å; L114-F122 HydrophobicContact CD1-CB 3.75Å; L114-F122 HydrophobicContact CD1-CD2 3.83Å; L114-F122 HydrophobicContact CD1-CG 3.86Å; L114-F122 HydrophobicContact CD2-CB 3.87Å; L114-F122 HydrophobicContact CD2-CD1 3.48Å; L114-F122 VanDerWaalsContact CD2-CD1 3.48Å; L114-F122 HydrophobicContact CD2-CD2 3.94Å; L114-F122 HydrophobicContact CD2-CE1 3.92Å; L114-F122 HydrophobicContact CD2-CE2 4.32Å; L114-F122 HydrophobicContact CD2-CG 3.49Å; L114-F122 VanDerWaalsContact CD2-CG 3.49Å; L114-F122 HydrophobicContact CD2-CZ 4.3Å; L114-F122 HydrophobicContact CG-CB 4.49Å; L114-F122 HydrophobicContact CG-CD2 4.47Å; L114-F122 HydrophobicContact CG-CG 4.33Å; D118-F122 PolarHBondContact O-N 3.2Å; I120-F122 VanDerWaalsContact C-N 3.27Å; I120-F122 PolarHBondContact O-N 2.93Å; F122-T124 VanDerWaalsContact C-N 3.26Å; F122-T124 PolarHBondContact O-N 2.88Å; F122-A125 PolarHBondContact O-N 3Å; F122-A125 VanDerWaalsContact O-N 3.09Å; F122-A126 WeakPolarHBondContact O-CB 3.3Å; F122-A126 PolarHBondContact O-N 3.22Å; F122-I134 HydrophobicContact CE1-CG2 3.43Å; F122-I134 VanDerWaalsContact CE1-CG2 3.43Å; F122-I134 HydrophobicContact CZ-CG2 3.38Å; F122-C138 HydrophobicContact CE1-CB 4.44Å; F122-C138 WeakPolarHBondContact CE1-SG 3.38Å
123L89.1Confident86.9Confident38 Ų3845.9 Ų45.920%0.19925%0.254CS..Hα-helixtrans-62.8-34.6178.6-71169.7000111.8I119 I120 S127 I135 C138 L142I119-L123 HydrophobicContact CG1-CD1 4.07Å; I119-L123 HydrophobicContact CG1-CG 4.3Å; I119-L123 WeakPolarHBondContact O-CB 3.3Å; I119-L123 VanDerWaalsContact O-CG 3.24Å; I119-L123 WeakPolarHBondContact O-CG 3.45Å; I119-L123 PolarHBondContact O-N 3.16Å; I120-L123 PolarHBondContact O-N 3.35Å; L123-S127 WeakPolarHBondContact O-CB 3.29Å; L123-S127 PolarHBondContact O-N 2.82Å; L123-I135 HydrophobicContact CD2-CG2 4.16Å; L123-C138 HydrophobicContact CD2-CB 3.99Å; L123-L142 HydrophobicContact CD1-CD1 4.31Å
124T90.1Very high87.3Confident72 Ų7244.2 Ų44.244%0.44224%0.242SC..Hα-helixtrans-64.5-43.9172.5-53.70000111.4I120 F122 F128I120-T124 VanDerWaalsContact O-CB 3.29Å; I120-T124 WeakPolarHBondContact O-CB 3.3Å; I120-T124 PolarHBondContact O-N 3.35Å; I120-T124 PolarHBondContact O-OG1 3.05Å; F122-T124 VanDerWaalsContact C-N 3.26Å; F122-T124 PolarHBondContact O-N 2.88Å; T124-F128 WeakPolarHBondContact O-CB 3.38Å; T124-F128 PolarHBondContact O-N 3.44Å
125A91.3Very high87.7Confident2 Ų244.6 Ų44.62%0.01724%0.244CC..Hα-helixtrans-67.5-47177.800000112.4I94 V99 L103 S121 F122 S127 F128 L129I94-A125 HydrophobicContact CD1-CB 3.76Å; I94-A125 HydrophobicContact CG1-CB 3.75Å; I94-A125 HydrophobicContact CG2-CB 4.16Å; V99-A125 HydrophobicContact CG1-CB 4.06Å; L103-A125 HydrophobicContact CD1-CB 3.55Å; S121-A125 WeakPolarHBondContact O-CB 3.33Å; S121-A125 PolarHBondContact O-N 3.13Å; F122-A125 PolarHBondContact O-N 3Å; F122-A125 VanDerWaalsContact O-N 3.09Å; A125-S127 VanDerWaalsContact C-N 3.33Å; A125-S127 PolarHBondContact O-N 3.17Å; A125-F128 PolarHBondContact O-N 3.46Å; A125-L129 WeakPolarHBondContact O-CB 3.34Å; A125-L129 WeakPolarHBondContact O-CG 3.25Å; A125-L129 PolarHBondContact O-N 2.9Å
126A91.7Very high88Confident0 Ų046.1 Ų46.10%025%0.254CS..Hα-helixtrans-62.8-37.6177.200000112.2L103 F122 L129 Q130 M131 I134 I135L103-A126 HydrophobicContact CD2-CB 4.2Å; F122-A126 WeakPolarHBondContact O-CB 3.3Å; F122-A126 PolarHBondContact O-N 3.22Å; A126-L129 CarbonylContact O-C 3.6Å; A126-L129 PolarHBondContact O-N 3.18Å; A126-Q130 PolarHBondContact O-N 3.15Å; A126-M131 PolarHBondContact O-N 3.13Å; A126-I134 HydrophobicContact CB-CG2 4.23Å; A126-I135 HydrophobicContact CB-CD1 4.39Å; A126-I135 HydrophobicContact CB-CG1 3.84Å
127S91.9Very high88.3Confident76 Ų7648.8 Ų48.853%0.53126%0.263SS..Hα-helixtrans-66.5-43.5173.6179.60000112.2L123 A125 L129 Q130L123-S127 WeakPolarHBondContact O-CB 3.29Å; L123-S127 PolarHBondContact O-N 2.82Å; A125-S127 VanDerWaalsContact C-N 3.33Å; A125-S127 PolarHBondContact O-N 3.17Å; S127-L129 VanDerWaalsContact C-N 3.34Å; S127-L129 PolarHBondContact O-N 3.02Å; S127-Q130 PolarHBondContact O-N 3.43Å; S127-Q130 VanDerWaalsContact O-N 3.08Å
128F90.9Very high88.5Confident62 Ų6243.6 Ų43.627%0.27224%0.241SC..Hα-helixtrans-61.3-41.7174.1179.9-99.8000112.1Y76 I91 V93 T124 A125 Q130Y76-F128 HydrophobicContact CD2-CE1 4.43Å; Y76-F128 WeakPolarHBondContact CD2-O 3.35Å; Y76-F128 HydrophobicContact CE1-CE1 4.01Å; Y76-F128 HydrophobicContact CE2-CD1 4.15Å; Y76-F128 AromaticContact CE2-CE1 3.55Å; Y76-F128 HydrophobicContact CE2-CE1 3.55Å; Y76-F128 HydrophobicContact CE2-CE2 4.15Å; Y76-F128 AromaticContact CE2-CZ 3.55Å; Y76-F128 HydrophobicContact CE2-CZ 3.55Å; Y76-F128 AromaticContact CZ-CE1 3.32Å; Y76-F128 AromaticContact CZ-CZ 3.59Å; Y76-F128 VanDerWaalsContact OH-CE1 3.3Å; Y76-F128 WeakPolarHBondContact OH-CE1 3.33Å; Y76-F128 VanDerWaalsContact OH-CZ 3.29Å; Y76-F128 WeakPolarHBondContact OH-CZ 3.28Å; I91-F128 HydrophobicContact CD1-CE1 4.35Å; I91-F128 HydrophobicContact CG1-CE1 4.37Å; I91-F128 HydrophobicContact CG2-CD1 4.13Å; I91-F128 HydrophobicContact CG2-CE1 3.54Å; I91-F128 HydrophobicContact CG2-CZ 4.28Å; V93-F128 HydrophobicContact CB-CD2 4.14Å; V93-F128 HydrophobicContact CB-CE2 4.13Å; V93-F128 HydrophobicContact CB-CG 4.37Å; V93-F128 HydrophobicContact CB-CZ 4.34Å; V93-F128 HydrophobicContact CG1-CD2 3.97Å; V93-F128 HydrophobicContact CG1-CE2 4.42Å; V93-F128 HydrophobicContact CG1-CG 4.19Å; V93-F128 HydrophobicContact CG2-CD2 4.07Å; V93-F128 HydrophobicContact CG2-CE2 3.66Å; V93-F128 HydrophobicContact CG2-CZ 4Å; T124-F128 WeakPolarHBondContact O-CB 3.38Å; T124-F128 PolarHBondContact O-N 3.44Å; A125-F128 PolarHBondContact O-N 3.46Å; F128-Q130 PolarHBondContact O-N 3.17Å
129L90.3Very high88.6Confident2 Ų244.6 Ų44.61%0.0125%0.249CC..THydrogen-bonded Turntrans-79.84.9175-60.5179.9000113.8S74 Y76 F77 I91 I94 F100 L103 A125 A126 S127 M131S74-L129 WeakPolarHBondContact CB-O 3.27Å; S74-L129 PolarHBondContact OG-O 2.92Å; Y76-L129 WeakPolarHBondContact CB-O 3.4Å; Y76-L129 HydrophobicContact CD1-CD2 3.4Å; Y76-L129 VanDerWaalsContact CD1-CD2 3.4Å; Y76-L129 HydrophobicContact CE1-CD2 3.68Å; Y76-L129 HydrophobicContact CG-CD2 4.07Å; F77-L129 HydrophobicContact CE1-CD2 4.15Å; F77-L129 HydrophobicContact CE2-CD1 4.26Å; F77-L129 HydrophobicContact CE2-CD2 3.9Å; F77-L129 HydrophobicContact CZ-CD1 4.27Å; F77-L129 HydrophobicContact CZ-CD2 3.55Å; I91-L129 HydrophobicContact CD1-CD2 4.13Å; I94-L129 HydrophobicContact CD1-CD1 4.3Å; I94-L129 HydrophobicContact CD1-CG 4.43Å; F100-L129 HydrophobicContact CD2-CD1 4.32Å; F100-L129 HydrophobicContact CE2-CD1 4.03Å; L103-L129 HydrophobicContact CD1-CD1 4.33Å; A125-L129 WeakPolarHBondContact O-CB 3.34Å; A125-L129 WeakPolarHBondContact O-CG 3.25Å; A125-L129 PolarHBondContact O-N 2.9Å; A126-L129 CarbonylContact O-C 3.6Å; A126-L129 PolarHBondContact O-N 3.18Å; S127-L129 VanDerWaalsContact C-N 3.34Å; S127-L129 PolarHBondContact O-N 3.02Å; L129-M131 HydrophobicContact CB-CG 3.86Å; L129-M131 HydrophobicContact CB-SD 4.05Å; L129-M131 HydrophobicContact CD1-SD 4.27Å; L129-M131 WeakPolarHBondContact O-CG 3.31Å; L129-M131 PolarHBondContact O-N 3.09Å
130Q91.4Very high88.6Confident102 Ų10249.1 Ų49.148%0.47727%0.27SS..THydrogen-bonded Turntrans56.828.7176.9-55.9176.90.300114.8A126 S127 F128 Q132A126-Q130 PolarHBondContact O-N 3.15Å; S127-Q130 PolarHBondContact O-N 3.43Å; S127-Q130 VanDerWaalsContact O-N 3.08Å; F128-Q130 PolarHBondContact O-N 3.17Å; Q130-Q132 VanDerWaalsContact C-N 3.31Å; Q130-Q132 PolarHBondContact O-N 3.47Å
131M90.3Very high88.5Confident10 Ų1048.5 Ų48.55%0.04927%0.266CS..  trans-86.263.7-175.1-57.1-176.487.800111.6S73 L103 A126 L129 A133 I134 I135S73-M131 WeakPolarHBondContact O-CE 3.34Å; L103-M131 HydrophobicContact CD2-SD 4.24Å; A126-M131 PolarHBondContact O-N 3.13Å; L129-M131 HydrophobicContact CB-CG 3.86Å; L129-M131 HydrophobicContact CB-SD 4.05Å; L129-M131 HydrophobicContact CD1-SD 4.27Å; L129-M131 WeakPolarHBondContact O-CG 3.31Å; L129-M131 PolarHBondContact O-N 3.09Å; M131-A133 VanDerWaalsContact C-N 3.34Å; M131-A133 PolarHBondContact O-N 3.25Å; M131-I134 HydrophobicContact CB-CB 4.29Å; M131-I134 HydrophobicContact CB-CD1 3.86Å; M131-I134 HydrophobicContact CB-CG1 4.24Å; M131-I134 HydrophobicContact CE-CD1 3.56Å; M131-I134 HydrophobicContact CG-CD1 4.42Å; M131-I134 WeakPolarHBondContact O-CB 3.34Å; M131-I134 PolarHBondContact O-N 2.83Å; M131-I134 HydrophobicContact SD-CD1 3.79Å; M131-I135 PolarHBondContact O-N 3.3Å
132Q88.8Confident88.3Confident106 Ų10647.2 Ų47.250%0.49526%0.255SS..Hα-helixtrans-56.1-41.3-167.8-168.460.242.700114.3Q130 I134 I135 D136Q130-Q132 VanDerWaalsContact C-N 3.31Å; Q130-Q132 PolarHBondContact O-N 3.47Å; Q132-I134 PolarHBondContact O-N 2.95Å; Q132-I135 WeakPolarHBondContact O-CA 3.41Å; Q132-I135 WeakPolarHBondContact O-CB 3.14Å; Q132-I135 PolarHBondContact O-N 2.76Å; Q132-D136 PolarHBondContact NE2-OD1 3.39Å; Q132-D136 VanDerWaalsContact O-CG 3.31Å; Q132-D136 PolarHBondContact O-N 3.44Å
133A86.3Confident87.9Confident77 Ų7753.5 Ų53.564%0.63629%0.285SS*.Hα-helixtrans-61-29.217900000113.8M131 K137M131-A133 VanDerWaalsContact C-N 3.34Å; M131-A133 PolarHBondContact O-N 3.25Å; A133-K137 WeakPolarHBondContact O-CG 3.49Å; A133-K137 PolarHBondContact O-N 3.44Å
134I87.5Confident87.4Confident5 Ų553.7 Ų53.73%0.02629%0.29CS..Hα-helixtrans-69.9-46.1172.1-67.8-179.9000110.2L103 F106 M112 F122 A126 M131 Q132 K137 C138L103-I134 HydrophobicContact CD2-CD1 3.91Å; L103-I134 HydrophobicContact CD2-CG2 4.38Å; F106-I134 HydrophobicContact CD1-CD1 3.39Å; F106-I134 HydrophobicContact CD1-CG1 3.99Å; F106-I134 HydrophobicContact CE1-CD1 3.44Å; F106-I134 VanDerWaalsContact CE1-CD1 3.44Å; F106-I134 HydrophobicContact CE1-CG1 3.53Å; F106-I134 HydrophobicContact CG-CD1 4.16Å; F106-I134 HydrophobicContact CZ-CD1 4.23Å; F106-I134 HydrophobicContact CZ-CG1 3.88Å; M112-I134 HydrophobicContact CE-CB 4.39Å; M112-I134 HydrophobicContact CE-CD1 4.5Å; M112-I134 HydrophobicContact CE-CG1 4.07Å; M112-I134 HydrophobicContact CE-CG2 3.88Å; M112-I134 HydrophobicContact SD-CG2 4.37Å; F122-I134 HydrophobicContact CE1-CG2 3.43Å; F122-I134 VanDerWaalsContact CE1-CG2 3.43Å; F122-I134 HydrophobicContact CZ-CG2 3.38Å; A126-I134 HydrophobicContact CB-CG2 4.23Å; M131-I134 HydrophobicContact CB-CB 4.29Å; M131-I134 HydrophobicContact CB-CD1 3.86Å; M131-I134 HydrophobicContact CB-CG1 4.24Å; M131-I134 HydrophobicContact CE-CD1 3.56Å; M131-I134 HydrophobicContact CG-CD1 4.42Å; M131-I134 WeakPolarHBondContact O-CB 3.34Å; M131-I134 PolarHBondContact O-N 2.83Å; M131-I134 HydrophobicContact SD-CD1 3.79Å; Q132-I134 PolarHBondContact O-N 2.95Å; I134-K137 PolarHBondContact O-N 3.21Å; I134-C138 WeakPolarHBondContact O-CB 3.34Å; I134-C138 PolarHBondContact O-N 2.86Å; I134-C138 PolarHBondContact O-SG 3.28Å; I134-C138 VanDerWaalsContact O-SG 3.4Å
135I89Confident86.8Confident22 Ų2252.5 Ų52.511%0.11328%0.28CS..Hα-helixtrans-58.9-50.4-178.8-60.4171.5000109.5L123 A126 M131 Q132 K137 C138 T139L123-I135 HydrophobicContact CD2-CG2 4.16Å; A126-I135 HydrophobicContact CB-CD1 4.39Å; A126-I135 HydrophobicContact CB-CG1 3.84Å; M131-I135 PolarHBondContact O-N 3.3Å; Q132-I135 WeakPolarHBondContact O-CA 3.41Å; Q132-I135 WeakPolarHBondContact O-CB 3.14Å; Q132-I135 PolarHBondContact O-N 2.76Å; I135-K137 VanDerWaalsContact C-N 3.3Å; I135-K137 PolarHBondContact O-N 3.43Å; I135-C138 PolarHBondContact O-N 3.45Å; I135-T139 HydrophobicContact CG2-CG2 4.47Å; I135-T139 WeakPolarHBondContact O-CG2 3.47Å; I135-T139 PolarHBondContact O-N 2.88Å; I135-T139 PolarHBondContact O-OG1 3.39Å; I135-T139 VanDerWaalsContact O-OG1 3.13Å
136D87.6Confident85.5Confident82 Ų8256.5 Ų56.544%0.43930%0.298SS..Hα-helixtrans-62.4-35-178.5-61.5-24.1000112.6Q132 T139 Q140Q132-D136 PolarHBondContact NE2-OD1 3.39Å; Q132-D136 VanDerWaalsContact O-CG 3.31Å; Q132-D136 PolarHBondContact O-N 3.44Å; D136-T139 WeakPolarHBondContact CA-OG1 3.43Å; D136-T139 PolarHBondContact O-OG1 2.99Å; D136-T139 VanDerWaalsContact O-OG1 3.06Å; D136-Q140 WeakPolarHBondContact O-CB 3.47Å; D136-Q140 PolarHBondContact O-N 2.87Å
137K85.4Confident84.5Confident97 Ų9759.7 Ų59.742%0.42232%0.32SS..Hα-helixtrans-73.5-39.9175.2-71.9-71.9159.7-163.10112.1A133 I134 I135 Q140 I141A133-K137 WeakPolarHBondContact O-CG 3.49Å; A133-K137 PolarHBondContact O-N 3.44Å; I134-K137 PolarHBondContact O-N 3.21Å; I135-K137 VanDerWaalsContact C-N 3.3Å; I135-K137 PolarHBondContact O-N 3.43Å; K137-Q140 PolarHBondContact O-N 2.81Å; K137-I141 WeakPolarHBondContact O-CB 3.43Å; K137-I141 WeakPolarHBondContact O-CD1 3.48Å; K137-I141 VanDerWaalsContact O-CG1 3.24Å; K137-I141 WeakPolarHBondContact O-CG1 3.41Å; K137-I141 PolarHBondContact O-N 3.32Å
138C85.4Confident82.9Confident5 Ų563.6 Ų63.63%0.03433%0.328CS..Hα-helixtrans-68.6-37.4177.2-73.90000112.7F122 L123 I134 I135 L142F122-C138 HydrophobicContact CE1-CB 4.44Å; F122-C138 WeakPolarHBondContact CE1-SG 3.38Å; L123-C138 HydrophobicContact CD2-CB 3.99Å; I134-C138 WeakPolarHBondContact O-CB 3.34Å; I134-C138 PolarHBondContact O-N 2.86Å; I134-C138 PolarHBondContact O-SG 3.28Å; I134-C138 VanDerWaalsContact O-SG 3.4Å; I135-C138 PolarHBondContact O-N 3.45Å; C138-L142 WeakPolarHBondContact O-CB 3.43Å; C138-L142 WeakPolarHBondContact O-CG 3.46Å; C138-L142 PolarHBondContact O-N 2.98Å
139T86.7Confident81.3Confident52 Ų5265.6 Ų65.632%0.31934%0.34SS..Hα-helixtrans-68.1-45172.552.90000111.5I135 D136 I141 L142 E143I135-T139 HydrophobicContact CG2-CG2 4.47Å; I135-T139 WeakPolarHBondContact O-CG2 3.47Å; I135-T139 PolarHBondContact O-N 2.88Å; I135-T139 PolarHBondContact O-OG1 3.39Å; I135-T139 VanDerWaalsContact O-OG1 3.13Å; D136-T139 WeakPolarHBondContact CA-OG1 3.43Å; D136-T139 PolarHBondContact O-OG1 2.99Å; D136-T139 VanDerWaalsContact O-OG1 3.06Å; T139-I141 VanDerWaalsContact C-N 3.26Å; T139-I141 PolarHBondContact O-N 3.07Å; T139-L142 WeakPolarHBondContact O-CB 3.34Å; T139-L142 PolarHBondContact O-N 3.35Å; T139-L142 VanDerWaalsContact O-N 3.16Å; T139-E143 WeakPolarHBondContact O-CG 3.36Å; T139-E143 PolarHBondContact O-N 2.95Å
140Q85.6Confident79.3Confident105 Ų10568.2 Ų68.249%0.49136%0.359SS..Hα-helixtrans-55.6-39.2174.5178.516953.600112.5D136 K137 S144D136-Q140 WeakPolarHBondContact O-CB 3.47Å; D136-Q140 PolarHBondContact O-N 2.87Å; K137-Q140 PolarHBondContact O-N 2.81Å; Q140-S144 WeakPolarHBondContact O-CB 3.47Å; Q140-S144 PolarHBondContact O-N 3.3Å
141I82Confident76.9Confident52 Ų5269.8 Ų69.827%0.26737%0.37SS..Hα-helixtrans-73-42.1177.5-69.4165.1000111.4K137 T139 E143 S144 I145 V288K137-I141 WeakPolarHBondContact O-CB 3.43Å; K137-I141 WeakPolarHBondContact O-CD1 3.48Å; K137-I141 VanDerWaalsContact O-CG1 3.24Å; K137-I141 WeakPolarHBondContact O-CG1 3.41Å; K137-I141 PolarHBondContact O-N 3.32Å; T139-I141 VanDerWaalsContact C-N 3.26Å; T139-I141 PolarHBondContact O-N 3.07Å; I141-E143 VanDerWaalsContact C-N 3.32Å; I141-E143 PolarHBondContact O-N 3.25Å; I141-S144 WeakPolarHBondContact O-CB 3.27Å; I141-S144 PolarHBondContact O-N 3.42Å; I141-I145 HydrophobicContact CG2-CD1 3.97Å; I141-I145 WeakPolarHBondContact O-CG1 3.3Å; I141-I145 PolarHBondContact O-N 3.46Å; I141-V288 HydrophobicContact CD1-CB 4.26Å; I141-V288 HydrophobicContact CD1-CG1 3.36Å; I141-V288 HydrophobicContact CD1-CG2 3.86Å
142L83.5Confident74.5Confident23 Ų2374.7 Ų74.712%0.1240%0.402CS..Hα-helixtrans-58.8-41.9172.8-82.8175000112.3L116 I119 L123 C138 T139 I145 H146L116-L142 HydrophobicContact CD2-CD2 4.44Å; I119-L142 HydrophobicContact CD1-CD1 3.74Å; I119-L142 HydrophobicContact CD1-CD2 3.87Å; I119-L142 HydrophobicContact CD1-CG 3.78Å; I119-L142 HydrophobicContact CG1-CD1 4.09Å; L123-L142 HydrophobicContact CD1-CD1 4.31Å; C138-L142 WeakPolarHBondContact O-CB 3.43Å; C138-L142 WeakPolarHBondContact O-CG 3.46Å; C138-L142 PolarHBondContact O-N 2.98Å; T139-L142 WeakPolarHBondContact O-CB 3.34Å; T139-L142 PolarHBondContact O-N 3.35Å; T139-L142 VanDerWaalsContact O-N 3.16Å; L142-I145 PolarHBondContact O-N 3.32Å; L142-H146 WeakPolarHBondContact O-CB 3.49Å; L142-H146 PolarHBondContact O-N 3.26Å
143E82.3Confident71.9Confident133 Ų13375.6 Ų75.662%0.62142%0.415SS*.Hα-helixtrans-66.9-38175.4-71.9178.8176.400111.9T139 I141 H146 S147T139-E143 WeakPolarHBondContact O-CG 3.36Å; T139-E143 PolarHBondContact O-N 2.95Å; I141-E143 VanDerWaalsContact C-N 3.32Å; I141-E143 PolarHBondContact O-N 3.25Å; E143-H146 PolarHBondContact O-N 3.26Å; E143-S147 WeakPolarHBondContact O-CB 3.4Å; E143-S147 PolarHBondContact O-N 2.99Å; E143-S147 PolarHBondContact O-OG 3.07Å
144S77.8Confident69.2Low43 Ų4378.6 Ų78.630%0.30142%0.42SS..Hα-helixtrans-64.3-38.6172.7-169.30000112.7Q140 I141 S147 K148Q140-S144 WeakPolarHBondContact O-CB 3.47Å; Q140-S144 PolarHBondContact O-N 3.3Å; I141-S144 WeakPolarHBondContact O-CB 3.27Å; I141-S144 PolarHBondContact O-N 3.42Å; S144-S147 WeakPolarHBondContact CA-OG 3.5Å; S144-S147 PolarHBondContact O-OG 3.09Å; S144-S147 VanDerWaalsContact O-OG 3.1Å; S144-K148 WeakPolarHBondContact O-CB 3.36Å; S144-K148 WeakPolarHBondContact O-CD 3.42Å; S144-K148 VanDerWaalsContact O-CG 3.24Å; S144-K148 WeakPolarHBondContact O-CG 3.24Å; S144-K148 PolarHBondContact O-N 3.01Å; S144-K148 PolarHBondContact OG-NZ 3.25Å; S144-K148 VanDerWaalsContact OG-NZ 3.14Å
145I77.6Confident66.6Low47 Ų4783.4 Ų83.424%0.24146%0.46CS..Hα-helixtrans-67.4-44.9174.3-68.1164.6000109.9L116 I141 L142 S147 K148 I149L116-I145 HydrophobicContact CD2-CD1 4.36Å; I141-I145 HydrophobicContact CG2-CD1 3.97Å; I141-I145 WeakPolarHBondContact O-CG1 3.3Å; I141-I145 PolarHBondContact O-N 3.46Å; L142-I145 PolarHBondContact O-N 3.32Å; I145-S147 PolarHBondContact O-N 2.98Å; I145-K148 PolarHBondContact O-N 3.49Å; I145-I149 HydrophobicContact CG2-CD1 3.86Å; I145-I149 WeakPolarHBondContact O-CD1 3.33Å; I145-I149 VanDerWaalsContact O-CG1 3.3Å; I145-I149 WeakPolarHBondContact O-CG1 3.42Å; I145-I149 PolarHBondContact O-N 2.95Å
146H63.4Low63.6Low85 Ų8588 Ų8839%0.39449%0.493SS..Hα-helixtrans-66-35.8179.5-164.4-76.2000112.8L142 E143 I149 S150L142-H146 WeakPolarHBondContact O-CB 3.49Å; L142-H146 PolarHBondContact O-N 3.26Å; E143-H146 PolarHBondContact O-N 3.26Å; H146-I149 PolarHBondContact O-N 3.09Å; H146-S150 WeakPolarHBondContact O-CB 3.49Å; H146-S150 PolarHBondContact O-N 3.41Å; H146-S150 PolarHBondContact O-OG 3.06Å
147S70.6Confident60.8Low67 Ų6789 Ų8947%0.46951%0.506SS..Hα-helixtrans-71.9-36.8174.265.10000112.6E143 S144 I145 I149 S150E143-S147 WeakPolarHBondContact O-CB 3.4Å; E143-S147 PolarHBondContact O-N 2.99Å; E143-S147 PolarHBondContact O-OG 3.07Å; S144-S147 WeakPolarHBondContact CA-OG 3.5Å; S144-S147 PolarHBondContact O-OG 3.09Å; S144-S147 VanDerWaalsContact O-OG 3.1Å; I145-S147 PolarHBondContact O-N 2.98Å; S147-I149 VanDerWaalsContact C-N 3.28Å; S147-I149 PolarHBondContact O-N 3.12Å; S147-S150 CarbonylContact O-C 3.46Å; S147-S150 VanDerWaalsContact O-C 3.24Å; S147-S150 WeakPolarHBondContact O-CA 3.39Å; S147-S150 PolarHBondContact O-N 3.23Å
148K58.8Low58.5Low158 Ų15890.2 Ų90.269%0.68752%0.524SS*.Hα-helixtrans-66.1-27.5171.4-73164.4-177.7159.80113.5S144 I145 S150S144-K148 WeakPolarHBondContact O-CB 3.36Å; S144-K148 WeakPolarHBondContact O-CD 3.42Å; S144-K148 VanDerWaalsContact O-CG 3.24Å; S144-K148 WeakPolarHBondContact O-CG 3.24Å; S144-K148 PolarHBondContact O-N 3.01Å; S144-K148 PolarHBondContact OG-NZ 3.25Å; S144-K148 VanDerWaalsContact OG-NZ 3.14Å; I145-K148 PolarHBondContact O-N 3.49Å; K148-S150 PolarHBondContact O-N 3.22Å
149I57.9Low55.8Low105 Ų10596.2 Ų96.254%0.53856%0.556SS.*THydrogen-bonded Turntrans-75.1-9.3169.5-67.6165.2000111.6I145 H146 S147I145-I149 HydrophobicContact CG2-CD1 3.86Å; I145-I149 WeakPolarHBondContact O-CD1 3.33Å; I145-I149 VanDerWaalsContact O-CG1 3.3Å; I145-I149 WeakPolarHBondContact O-CG1 3.42Å; I145-I149 PolarHBondContact O-N 2.95Å; H146-I149 PolarHBondContact O-N 3.09Å; S147-I149 VanDerWaalsContact C-N 3.28Å; S147-I149 PolarHBondContact O-N 3.12Å
150S47.8Very low53.3Low56 Ų56102.1 Ų102.139%0.39258%0.578SS.*SBendtrans-125.192.8-172.1-54.10000112.8H146 S147 K148H146-S150 WeakPolarHBondContact O-CB 3.49Å; H146-S150 PolarHBondContact O-N 3.41Å; H146-S150 PolarHBondContact O-OG 3.06Å; S147-S150 CarbonylContact O-C 3.46Å; S147-S150 VanDerWaalsContact O-C 3.24Å; S147-S150 WeakPolarHBondContact O-CA 3.39Å; S147-S150 PolarHBondContact O-N 3.23Å; K148-S150 PolarHBondContact O-N 3.22Å
151L41.3Very low50.4Low136 Ų136104.6 Ų104.671%0.71259%0.594SS**  trans86.1159.2172.9-47.1174.5000113.7V153L151-V153 HydrophobicContact CD2-CG2 4.1Å
152P38.3Very low47.7Very low113 Ų113106.4 Ų106.473%0.73461%0.611SS**PPolyproline II helixcis-82147.419.232.9-36.3000116
153V35.3Very low45.1Very low124 Ų124109.9 Ų109.975%0.75264%0.638SS**PPolyproline II helixtrans-80.6129.5142.4169.80000105.8L151 A155L151-V153 HydrophobicContact CD2-CG2 4.1Å; V153-A155 PolarHBondContact O-N 3.41Å
154N30.2Very low42.6Very low140 Ų140111.7 Ų111.775%0.74965%0.646SS**PPolyproline II helixtrans-56.8136.3-177.3-81.8-5.5000111.8C156N154-C156 PolarHBondContact O-N 2.79Å
155A33.2Very low40.1Very low106 Ų106116.2 Ų116.288%0.87667%0.665SS**PPolyproline II helixtrans-61.9123161.400000108.6V153V153-A155 PolarHBondContact O-N 3.41Å
156C25.5Very low37.7Very low118 Ų118119 Ų11980%0.79769%0.689SS**  trans-112.9111168.8-167.40000107.6N154N154-C156 PolarHBondContact O-N 2.79Å
157S29.3Very low36.2Very low103 Ų103125.8 Ų125.872%0.7271%0.711SS**  trans-60.5152.9162.8-55.30000109.8
158P36.2Very low34.3Very low123 Ų123129.7 Ų129.780%0.79973%0.727SS**  -110.1140.5129.332.5-30.7000109.5
159D28.7Very low32.8Very low131 Ų131125.6 Ų125.670%0.70173%0.729SS**  trans-68.3151.5170.8-96.8-81.2000111.7
160K34Very low31.5Very low177 Ų177127.3 Ų127.377%0.7774%0.744SS**  trans13.4126.3150.7-58.1169.2-170.6168.90117.4
161D24.6Very low30.4Very low157 Ų157131.1 Ų131.184%0.8476%0.76SS**  -151178.585.8-136.6-40.2000112.9
162S26.3Very low29.9Very low89 Ų89131.1 Ų131.162%0.62276%0.761SS**  trans-80172.3-154.564.60000118
163S28.6Very low29.7Very low97 Ų97129.9 Ų129.968%0.67876%0.755SS**  trans106.2115.4139.7-64.70000120.8
164Q29.2Very low29.3Very low171 Ų171131 Ų13180%0.79976%0.757SS**  trans99.3118.3134.4-76.1-175.616.400123.6
165I25.3Very low29.3Very low137 Ų137132.6 Ų132.670%0.70376%0.764SS**  trans8787.1137-59.6164.4000119.6
166S27Very low28.9Very low106 Ų106136.8 Ų136.874%0.74176%0.763SS**  32.6125.7122.4-48.70000122.6
167R32.2Very low29.2Very low227 Ų227139 Ų13986%0.85777%0.766SS**  -174.2141.2105.2-101.9166.9172.8165.7-1.8113.8
168N29.6Very low29Very low150 Ų150141 Ų14180%0.80277%0.768SS**  trans32.6133.7148-48.43.9000119.1
169G28.6Very low28.8Very low71 Ų71140.8 Ų140.873%0.73277%0.767SS**  85.2132.754.300000110
170V29.6Very low28.8Very low141 Ų141140.6 Ų140.686%0.85577%0.77SS**  cis-149.8174.819.1-175.90000109.5
171N26.3Very low28.6Very low137 Ų137140.1 Ų140.173%0.73377%0.771SS**  trans-50.2161165.5-60.1-6.7000112.1
172D30.5Very low28.9Very low135 Ų135139.5 Ų139.572%0.72277%0.766SS**  -169.5158.260.7-126-56.3000117.7
173S32.3Very low28.9Very low87 Ų87140.6 Ų140.661%0.60877%0.774SS**  trans35.1124.4145.9-68.50000124.4
174N27.7Very low29.4Very low147 Ų147141.4 Ų141.479%0.78678%0.777SS**  trans60.6124.4140.4-64.7-46.1000121.7
175L29.6Very low30Very low174 Ų174138.6 Ų138.691%0.91177%0.773SS**  -173.4138.2111.4-100.7165.7000112.8
176F26Very low29.9Very low195 Ų195142.8 Ų142.886%0.85578%0.782SS**  trans-98.4144.2165.2-112.4-96.8000109.1
177I31.1Very low29.7Very low165 Ų165148.1 Ų148.185%0.84679%0.787SS**  trans170.5158.5135.4-90.4159.5000111.3
178N25.7Very low30Very low145 Ų145141.9 Ų141.978%0.77578%0.776SS**  trans-71.9155.7-171-80.5-65.8000115.6
179P31.9Very low29.8Very low118 Ų118144.8 Ų144.877%0.76678%0.775SS**  trans-93.5121.5175.235-31.3000113.2
180T29.4Very low29.7Very low126 Ų126148.5 Ų148.577%0.77377%0.774SS**  trans-147148.7165.750.90000112.4
181Q29.7Very low29.4Very low167 Ų167145 Ų14578%0.7876%0.756SS**  trans8783.4164.3-47.5-136.239.100118.8
182I30.1Very low29.4Very low145 Ų145147.4 Ų147.474%0.74476%0.763SS**  56.899.7113.3-58.5160.4000118.2
183S25.4Very low29.1Very low112 Ų112144 Ų14478%0.78376%0.759SS**  trans73.8158.2133.6-60.80000122.3
184P39.8Very low28.8Very low114 Ų114147.3 Ų147.374%0.7478%0.775SS**  trans-113.8-162-165.847.7-35.4000111.2
185P41.3Very low28.8Very low111 Ų111143.3 Ų143.372%0.72177%0.769SS**  cis-139.1-156.23.832.3-5.8000115.4
186Y24.4Very low28.6Very low226 Ų226144.4 Ų144.489%0.88677%0.769SS**  trans99.1149.6166.6-94.9-98.4000120.6
187Y23.3Very low28.5Very low218 Ų218140.2 Ų140.286%0.85577%0.771SS**  trans-133.9176.9-170.4-104.8-56.6000107.2
188P38.5Very low28.2Very low95 Ų95143.2 Ų143.262%0.61777%0.771SS**  cis-138.7-172.7-19.940-22.4000114.5
189R25.3Very low28.3Very low211 Ų211139.5 Ų139.580%0.79676%0.757SS**  trans66.9163.1159-75.6175.8166.7-126.25.3115.8
190Q25.3Very low28.1Very low149 Ų149140.4 Ų140.470%0.69675%0.751SS**  cis-153.8170.1-6-126.3172.4-78.200105.1
191S23Very low28.2Very low68 Ų68142.2 Ų142.248%0.47675%0.75SS.*  cis178.2155.313.9-177.70000106.6
192Q27.6Very low28Very low188 Ų188138.3 Ų138.388%0.87975%0.747SS**  trans59.7153.9162.6-68.7144.8-56.300118.8
193G24.8Very low27.9Very low62 Ų62134.6 Ų134.664%0.63974%0.744SS**  cis156.2153.3-11.200000113.5
194V24.6Very low28.2Very low157 Ų157139.8 Ų139.895%0.95275%0.753SS**  trans70.6141.7172-166.40000115.2
195G27.2Very low27.6Very low63 Ų63137.9 Ų137.965%0.64975%0.753SS**  cis173.9165-9.800000114.5
196E25.3Very low27.1Very low198 Ų198142.5 Ų142.593%0.92577%0.765SS**  trans35.6129157-57.7-169.8109.900123.6
197A25.6Very low27.3Very low107 Ų107135 Ų13588%0.88476%0.757SS**  trans-151.1144.1138.400000112.3
198R24.6Very low27.5Very low227 Ų227136.5 Ų136.586%0.85776%0.761SS**  trans-103.1176.3176.8-106172114.8158.3-0.3109.5
199S26.7Very low27Very low68 Ų68137.7 Ų137.748%0.47677%0.766SS.*  cis-167.61534.3-123.50000110.1
200E27.7Very low27.1Very low136 Ų136136.4 Ų136.464%0.63676%0.762SS**  trans60.1167.3135.7-66.3172.484.200120.8
201Q31.1Very low27.3Very low164 Ų164135.6 Ų135.677%0.76676%0.758SS**  cis-161.5174.4-12.6-115.1-167.477.100106.5
202A27Very low27.5Very low85 Ų85138 Ų13870%0.70276%0.762SS**  cis-168.8170.5-9.600000110.8
203G28.1Very low27.5Very low67 Ų67135.7 Ų135.769%0.69175%0.751SS**  trans114.1115.8166.100000113.9
204K30.9Very low27.8Very low222 Ų222139.4 Ų139.497%0.96575%0.752SS**  70.212458-65-177.1178.7178.90113.9
205G27.8Very low28.1Very low73 Ų73140.8 Ų140.875%0.75375%0.748SS**  cis156.5162.9-12.300000115.1
206Q30Very low28.1Very low208 Ų208140.8 Ų140.897%0.97275%0.748SS**  trans69.6146.2167.2-53.8-179.9-8.100118.6
207G28.2Very low28.4Very low70 Ų70140.7 Ų140.772%0.72275%0.747SS**  cis157.3166.2-15.200000116.1
208R28.3Very low28.5Very low249 Ų249140.2 Ų140.294%0.9474%0.737SS**  trans74.1156.5163.7-63.5-173.5167.7-165.1-4.3117.9
209V28.4Very low28.8Very low119 Ų119134.6 Ų134.672%0.72172%0.724SS**  cis-163.9146.7-9.8123.40000108.1
210R27.4Very low29Very low185 Ų185142.3 Ų142.370%0.69874%0.743SS**  179.5143.882.9-164.7149.1-169.4-149.6-14110.9
211Q29.1Very low29Very low132 Ų132139.2 Ų139.262%0.61775%0.747SS**  35.5150.694-33.5173.3-57.100117.9
212Q27.4Very low28.9Very low118 Ų118137 Ų13755%0.55175%0.75SS**  cis-151.6146.99.5-126.7131.3-7.200107.9
213Q27.6Very low29.3Very low139 Ų139137.4 Ų137.465%0.6575%0.748SS**  50.9142.486.3-75.8167.9-66.700115.1
214E31.5Very low29.2Very low141 Ų141142.3 Ų142.366%0.65976%0.758SS**  cis-159.4176.112.5-142.6129.9-144.800113.6
215E30.2Very low29.3Very low185 Ų185135.5 Ų135.586%0.86475%0.751SS**  trans1.9158.2161-66.7172.8164.900123.2
216G28.1Very low29.3Very low63 Ų63138.7 Ų138.765%0.64976%0.756SS**  cis162.3-179.90.300000112.8
217Q30.4Very low29.4Very low197 Ų197133.6 Ų133.692%0.92174%0.743SS**  trans68.2156.9171.8-57.5176.111.400116.9
218S27.6Very low29.5Very low97 Ų97138.2 Ų138.268%0.67875%0.746SS**  cis-164.8165.4-22.951.50000112.1
219D30.9Very low29.5Very low109 Ų109133.4 Ų133.458%0.58373%0.734SS**  trans52.8123.6150.1-82.637000125.2
220R31.1Very low29.4Very low230 Ų230134.6 Ų134.687%0.86874%0.736SS**  trans69.5154.9147.4-53.4162-150-174.98.7116.8
221G27.5Very low29.5Very low70 Ų70129.8 Ų129.872%0.72274%0.736SS**  cis152.5167.1-6.500000112.5
222S30.6Very low29.4Very low117 Ų117129.9 Ų129.982%0.81875%0.745SS**  trans83.1151.1167-164.60000120.5
223S33.4Very low29.6Very low95 Ų95132 Ų13266%0.66476%0.759SS**  trans66.5127.8164.723.50000117.1
224D27.7Very low29.9Very low169 Ų169134.4 Ų134.490%0.90477%0.77SS**  cis68.8113.842.4-64.8-49.4000114.3
225G32.3Very low29.8Very low80 Ų80131.4 Ų131.483%0.82578%0.777SS**  trans-164110.6176.900000109.9
226V28Very low29.7Very low139 Ų139131.3 Ų131.384%0.84278%0.776SS**  trans-88.5176.9-175.6-80.30000112.7
227S32Very low29.6Very low102 Ų102134.1 Ų134.171%0.71378%0.781SS**  trans80.1148.4162.6840000116.2
228E29.8Very low29.4Very low166 Ų166132.1 Ų132.178%0.77677%0.772SS**  cis-166.3172.3-23.7-121.8159.4-159.600110.1
229H28.5Very low29.5Very low148 Ų148135.1 Ų135.169%0.68578%0.775SS**  trans48.8104.7154.5-74.7-57.8000121.6
230D26.1Very low29.3Very low144 Ų144137.6 Ų137.677%0.7779%0.787SS**  63.1149.3110.6-74.1-57.7000124.3
231A28.9Very low29.3Very low85 Ų85134.6 Ų134.670%0.70278%0.783SS**  trans87.999.7149.700000120.5
232V28.1Very low29.4Very low133 Ų133139.2 Ų139.281%0.80679%0.79SS**  52.1122.5123.2-178.10000119.3
233I31Very low29.6Very low164 Ų164140.9 Ų140.984%0.84179%0.788SS**  -163.6147.4124.7-102154.9000109.6
234E34.6Very low29.5Very low189 Ų189139.8 Ų139.888%0.88379%0.792SS**  trans-79.3152.1176.6-63.1173.712500111.4
235G29Very low29.8Very low78 Ų78140.5 Ų140.580%0.80479%0.787SS**  trans-146118.3177.100000111.2
236E27.7Very low29.7Very low182 Ų182144.3 Ų144.385%0.8579%0.788SS**  trans-86-169-175.2-57.9-179.3119.100113
237T26.4Very low30.1Very low122 Ų122141.1 Ų141.175%0.74878%0.783SS**  trans84.788.2164.763.90000118.9
238E27.1Very low30.1Very low156 Ų156145.4 Ų145.473%0.72979%0.792SS**  47.8123.4112.3-62-157.411000121.8
239Q28.5Very low30.1Very low159 Ų159143.6 Ų143.674%0.74379%0.792SS**  trans56.4127.8130.9-54.3-17746.900120.4
240I27.3Very low30.3Very low162 Ų162142.3 Ų142.383%0.83180%0.795SS**  -163.6143.7117.4-100.5153.5000110.1
241E30.7Very low30.4Very low167 Ų167143 Ų14378%0.7880%0.798SS**  trans-98.8137.2-179.5-179.2179.4-130.200110.5
242L30Very low30.2Very low166 Ų166144 Ų14487%0.86980%0.796SS**  trans-140.1122.2166.8-79.3-179.1000111.1
243I34.9Very low30Very low153 Ų153146.9 Ų146.979%0.78580%0.8SS**  trans-86.3121.2176.8-64.1167.5000109.2
244G30.3Very low29.7Very low72 Ų72144.2 Ų144.274%0.74279%0.791SS**  trans-122.5149.4169.300000110.4
245K34.3Very low29.2Very low184 Ų184142.2 Ų142.280%0.878%0.78SS**  trans-100.5168.1-173.8-66-175.7177.6-178.40113
246D31.3Very low29.4Very low160 Ų160144.2 Ų144.286%0.85678%0.776SS**  trans78.3143.5163-48.1-40.4000116
247G34.8Very low29.3Very low71 Ų71142 Ų14273%0.73277%0.766SS**  trans-102.1156.7-149.300000117.4
248Q33.3Very low29.6Very low192 Ų192144.2 Ų144.290%0.89777%0.765SS**  trans67.7135.2-179-53.1-175.514.900112.8
249V30.4Very low29.5Very low129 Ų129144.1 Ų144.178%0.78277%0.769SS**  -142.5168.453.1158.50000112.1
250T32.1Very low29.5Very low120 Ų120143.3 Ų143.374%0.73677%0.77SS**  trans-55.6147.3173.7520000114.5
251D27Very low29.7Very low159 Ų159146.8 Ų146.885%0.8577%0.773SS**  trans-144.2155.8131.3-142.8-25.9000111.6
252V25.8Very low29.7Very low107 Ų107144.7 Ų144.765%0.64877%0.774SS**  trans-121.296.4-167.3-175.40000111.2V254V252-V254 HydrophobicContact CG1-CG2 3.85Å; V252-V254 PolarHBondContact O-N 3.43Å; V252-V254 VanDerWaalsContact O-N 3.09Å
253H23.2Very low29.6Very low192 Ų192142.2 Ų142.289%0.88977%0.77SS**  trans-82.585.2176-121-78.8000112.3K255H253-K255 PolarHBondContact O-N 2.95Å; H253-K255 VanDerWaalsContact O-N 3.08Å
254V26.1Very low29.2Very low108 Ų108140.2 Ų140.266%0.65577%0.768SS**  trans-74.394.4171.3-170.80000110V252 V256V252-V254 HydrophobicContact CG1-CG2 3.85Å; V252-V254 PolarHBondContact O-N 3.43Å; V252-V254 VanDerWaalsContact O-N 3.09Å; V254-V256 HydrophobicContact CG1-CG2 3.81Å; V254-V256 PolarHBondContact O-N 3.33Å; V254-V256 VanDerWaalsContact O-N 3.13Å
255K24Very low29Very low148 Ų148142.5 Ų142.564%0.64377%0.773SS**  trans-77.494.4166.5-164.5-169.7179-154.20109.6H253 E257H253-K255 PolarHBondContact O-N 2.95Å; H253-K255 VanDerWaalsContact O-N 3.08Å; K255-E257 WeakPolarHBondContact CE-OE1 3.43Å; K255-E257 WeakPolarHBondContact CE-OE2 3.18Å; K255-E257 IonicContact NZ-OE1 3.7Å; K255-E257 PolarHBondContact NZ-OE1 3.09Å; K255-E257 IonicContact NZ-OE2 3.96Å; K255-E257 PolarHBondContact NZ-OE2 3.19Å; K255-E257 PolarHBondContact O-N 2.92Å; K255-E257 VanDerWaalsContact O-N 3.16Å
256V32.6Very low28.8Very low119 Ų119141 Ų14172%0.72177%0.774SS**  trans-74.399.7169.3-178.60000108.9V254V254-V256 HydrophobicContact CG1-CG2 3.81Å; V254-V256 PolarHBondContact O-N 3.33Å; V254-V256 VanDerWaalsContact O-N 3.13Å
257E24.6Very low28.7Very low137 Ų137139.4 Ų139.464%0.6478%0.775SS**  trans-98.3115.1171.7-158.8131.8-124.700109.1K255K255-E257 WeakPolarHBondContact CE-OE1 3.43Å; K255-E257 WeakPolarHBondContact CE-OE2 3.18Å; K255-E257 IonicContact NZ-OE1 3.7Å; K255-E257 PolarHBondContact NZ-OE1 3.09Å; K255-E257 IonicContact NZ-OE2 3.96Å; K255-E257 PolarHBondContact NZ-OE2 3.19Å; K255-E257 PolarHBondContact O-N 2.92Å; K255-E257 VanDerWaalsContact O-N 3.16Å
258K32.5Very low28.7Very low168 Ų168141.9 Ų141.973%0.7378%0.781SS**  trans-80152.1173.3-63.7172.6-179170.70109.2
259N26.5Very low28.6Very low154 Ų154138.3 Ų138.382%0.82478%0.778SS**  trans-149.991.6144.8-97-33.1000110.1
260D27.1Very low28.6Very low142 Ų142136.9 Ų136.976%0.75978%0.779SS**  trans37.3144.4143.2-59.3-25.4000124.1
261R31.7Very low28.4Very low235 Ų235135 Ų13589%0.88778%0.783SS**PPolyproline II helixtrans-77149169.7-55.9169170.7171.5-5.6111.1
262P31.1Very low28.3Very low123 Ų123135 Ų13580%0.79978%0.783SS**PPolyproline II helixtrans-65.9139.8144.2-13.429.7000110.1
263S28.3Very low28.6Very low113 Ų113136.9 Ų136.979%0.7979%0.79SS**PPolyproline II helixtrans-76.6142.8173.9-169.30000111.4
264C25.4Very low28.8Very low112 Ų112131.1 Ų131.176%0.75778%0.782SS**PPolyproline II helixtrans-70.7156.2160.3-580000110.3
265S27.3Very low29Very low119 Ų119136.8 Ų136.883%0.83279%0.793SS**  trans-147.3123161.6-71.80000108.3
266D29.7Very low29.1Very low153 Ų153138 Ų13882%0.81880%0.801SS**  trans-79.4148.5-176.1-63.3-61.2000113
267S29.6Very low28.9Very low126 Ų126138 Ų13888%0.88180%0.801SS**  trans-160.1122154.9-80.30000110.4
268S34.7Very low29.1Very low124 Ų124139.4 Ų139.487%0.86781%0.808SS**  trans-88.5145.5-175.5-46.20000112.9
269S31.3Very low28.9Very low117 Ų117140.5 Ų140.582%0.81881%0.813SS**  trans-173.5123.7139.4-168.90000114.6
270A30.1Very low29Very low99 Ų99139.7 Ų139.782%0.81881%0.813SS**  trans36.4138.4144.200000124.2
271G27.3Very low29.5Very low79 Ų79140.3 Ų140.381%0.81482%0.817SS**  trans88.4151.6163.400000114.7
272D26.2Very low29.5Very low159 Ų159132.5 Ų132.585%0.8581%0.809SS**  cis-150.5-163.5-17.1-154.6-11.1000108.6
273D31Very low29.5Very low148 Ų148132 Ų13279%0.79180%0.796SS**  trans-67161.3-17870.6-10.1000116.1
274G28.4Very low29.7Very low71 Ų71134.8 Ų134.873%0.73280%0.797SS**  trans164.585.6-179.700000114.6H276G274-H276 PolarHBondContact O-N 3.41Å
275Y29.6Very low30Very low226 Ų226134.5 Ų134.589%0.88679%0.786SS**  trans-72.2114.9167.7-88.2-97.3000110.4
276H26.1Very low30.2Very low175 Ų175130.5 Ų130.581%0.8176%0.757SS**  trans-136.1128.6153.4-108.5-93.2000110.7G274G274-H276 PolarHBondContact O-N 3.41Å
277T29.5Very low30.2Very low117 Ų117126 Ų12672%0.71874%0.741SS**  trans-118.6116.5173.949.20000108.6
278E27.6Very low30.3Very low167 Ų167120.7 Ų120.778%0.7870%0.703SS**  trans-123.4129.9168.153-156.9127.200109.5
279F28.8Very low30.1Very low192 Ų192120.1 Ų120.184%0.84269%0.694SS**  trans-86.4131.3-176.6-70.8-98.5000109.2
280V29Very low30.3Very low136 Ų136118.3 Ų118.382%0.82468%0.678SS**  trans-109.7108.4167.8-177.80000107.6G282V280-G282 VanDerWaalsContact C-N 3.32Å; V280-G282 PolarHBondContact O-N 3.1Å
281D36.7Very low30.2Very low156 Ų156117.2 Ų117.283%0.83468%0.677SS**  trans-71.785.1177.8-80.9-46.7000110.9E283D281-E283 VanDerWaalsContact C-N 3.27Å; D281-E283 PolarHBondContact O-N 3.16Å
282G32.3Very low30.3Very low70 Ų70117.7 Ų117.772%0.72267%0.668SS**  trans-74.369.7173.700000112.9V280 Q284V280-G282 VanDerWaalsContact C-N 3.32Å; V280-G282 PolarHBondContact O-N 3.1Å; G282-Q284 PolarHBondContact O-N 3.16Å; G282-Q284 VanDerWaalsContact O-N 3.1Å
283E31.8Very low30.6Very low114 Ų114121 Ų12153%0.53367%0.67SS.*  trans-62.1111.6167.1-80.9-150.8144.600109.8Q115 K117 D281 I285Q115-E283 PolarHBondContact NE2-OE2 3.37Å; Q115-E283 PolarHBondContact OE1-OE1 2.96Å; K117-E283 IonicContact NZ-OE1 2.76Å; K117-E283 PolarHBondContact NZ-OE1 3.02Å; D281-E283 VanDerWaalsContact C-N 3.27Å; D281-E283 PolarHBondContact O-N 3.16Å; E283-I285 PolarHBondContact O-N 3.04Å
284Q31.9Very low30.9Very low171 Ų171116.8 Ų116.880%0.79966%0.662SS**  trans-76.486.3176.5-174170.572.600110.4G282 V286G282-Q284 PolarHBondContact O-N 3.16Å; G282-Q284 VanDerWaalsContact O-N 3.1Å; Q284-V286 PolarHBondContact O-N 2.8Å
285I30.6Very low31.6Very low106 Ų106119.6 Ų119.654%0.54467%0.667SS.*  trans-68.2117.1174.8-58.2174.2000109.3E283 A287E283-I285 PolarHBondContact O-N 3.04Å; I285-A287 PolarHBondContact O-N 3.38Å
286V31.6Very low31.7Very low34 Ų34115.4 Ų115.421%0.20667%0.665CS.*EExtended strand (participates in β ladder)trans-82.694.8169.6-175.80000108.3L114 L116 Q284 V288L114-V286 PolarHBondContact N-O 3.42Å; L116-V286 HydrophobicContact CD1-CG2 4.49Å; L116-V286 HydrophobicContact CD2-CG2 4.47Å; L116-V286 HydrophobicContact CG-CG2 4.25Å; Q284-V286 PolarHBondContact O-N 2.8Å; V286-V288 HydrophobicContact CG1-CG2 4.12Å
287A29.8Very low32.2Very low59 Ų59114.4 Ų114.449%0.48866%0.664SS.*EExtended strand (participates in β ladder)trans-72.2127.3165.800000109.4I285I285-A287 PolarHBondContact O-N 3.38Å
288V32.4Very low32.4Very low15 Ų15117.2 Ų117.29%0.09167%0.669CS.*EExtended strand (participates in β ladder)trans-110.385.2176.9179.90000108.3M112 I141 V286 V290M112-V288 HydrophobicContact CG-CB 3.74Å; M112-V288 HydrophobicContact CG-CG1 4.23Å; M112-V288 HydrophobicContact CG-CG2 4.35Å; M112-V288 PolarHBondContact O-N 3.15Å; I141-V288 HydrophobicContact CD1-CB 4.26Å; I141-V288 HydrophobicContact CD1-CG1 3.36Å; I141-V288 HydrophobicContact CD1-CG2 3.86Å; V286-V288 HydrophobicContact CG1-CG2 4.12Å; V288-V290 PolarHBondContact O-N 2.83Å
289T29.8Very low32.8Very low111 Ų111115.2 Ų115.268%0.68167%0.67SS**  trans-70.7103.8168.76.20000109.6
290V35.2Very low32.8Very low79 Ų79109.9 Ų109.948%0.47966%0.661SS.*  trans-74.9121.2159.6-1750000106.5V288 S292V288-V290 PolarHBondContact O-N 2.83Å; V290-S292 PolarHBondContact O-N 2.99Å
291G28.1Very low32.7Very low77 Ų77108.1 Ų108.179%0.79466%0.661SS**  trans-77.2123.8-159.400000115.7
292S29.2Very low32.4Very low88 Ų88111.5 Ų111.562%0.61566%0.664SS**  trans-127.9150.3143.153.80000108.4V290V290-S292 PolarHBondContact O-N 2.99Å
293Y32.8Very low32.1Very low228 Ų228113.5 Ų113.589%0.89467%0.667SS**  trans-85.3130.9-169.4-67.9-98.8000112
294G38.3Very low31.9Very low61 Ų61118.9 Ų118.963%0.62968%0.684SS**  trans173.5149.5172.400000112.8
295P42.4Very low31.8Very low129 Ų129115.9 Ų115.984%0.83868%0.682SS**PPolyproline II helixtrans-80.7145.9-173.131.8-35.1000113.8
296V32Very low31.8Very low138 Ų138114.2 Ų114.284%0.83669%0.691SS**PPolyproline II helixtrans-78.4120.9177.8177.40000111.1
297I37.4Very low31.7Very low155 Ų155121 Ų12180%0.79573%0.725SS**PPolyproline II helixtrans-88.1130.8162.2-60177.4000108.2
298Q32.7Very low31.6Very low176 Ų176123.7 Ų123.782%0.82274%0.74SS**PPolyproline II helixtrans-70.3133176.8-69.8-176.7-20.400111.2A300Q298-A300 PolarHBondContact O-N 2.89Å
299P35.3Very low31.3Very low124 Ų124128.8 Ų128.881%0.80578%0.777SS**PPolyproline II helixtrans-73.1127.6171.529.7-32.9000110.5
300A29.9Very low31.1Very low80 Ų80128 Ų12866%0.66178%0.775SS**PPolyproline II helixtrans-68.5136.4174.600000111.3Q298 Y302Q298-A300 PolarHBondContact O-N 2.89Å; A300-Y302 PolarHBondContact O-N 3.4Å
301A27.2Very low30.7Very low99 Ų99130.5 Ų130.582%0.81880%0.795SS**  trans-72.6110.6178.600000111.5S303A301-S303 PolarHBondContact O-N 3Å
302Y28.8Very low30.6Very low227 Ų227135.2 Ų135.289%0.8979%0.794SS**  trans-85.395.3172.6-87.4-87.2000111.4A300A300-Y302 PolarHBondContact O-N 3.4Å
303S27.5Very low30.5Very low112 Ų112137.4 Ų137.478%0.78380%0.803SS**  trans-71.5121.8168.6-59.80000110.8A301A301-S303 PolarHBondContact O-N 3Å
304Y27.1Very low30.1Very low227 Ų227133 Ų13389%0.8980%0.795SS**  trans-90.6106.7178.4-157.8-88.5000111.7G306Y304-G306 PolarHBondContact O-N 3.06Å; Y304-G306 VanDerWaalsContact O-N 3.17Å
305S30.2Very low29.5Very low109 Ų109138 Ų13876%0.76281%0.807SS**  trans-74.4100.7176.6-62.20000111.4L307S305-L307 PolarHBondContact O-N 3.26Å
306G29.5Very low28.7Very low71 Ų71136.7 Ų136.773%0.73280%0.801SS**  trans-66.5115.2174.300000112.1Y304Y304-G306 PolarHBondContact O-N 3.06Å; Y304-G306 VanDerWaalsContact O-N 3.17Å
307L29.9Very low28.4Very low176 Ų176137.6 Ų137.692%0.92180%0.801SS**  trans-74.1135.4174.9-80.6169.8000111.7S305S305-L307 PolarHBondContact O-N 3.26Å
308S27.1Very low27.9Very low116 Ų116135.8 Ų135.881%0.81180%0.802SS**  trans-77136.6172.6178.70000111.6
309S26.3Very low27.8Very low122 Ų122133.1 Ų133.185%0.85380%0.802SS**  trans-151.9154.7142.9-164.10000110.1
310S26.5Very low28Very low93 Ų93132.5 Ų132.565%0.6580%0.799SS**  trans-116.5142.7-159.857.50000114.1
311C27.5Very low27.9Very low132 Ų132133.2 Ų133.289%0.89280%0.799SS**  trans-142.7119.5150.848.30000109.5
312F24.7Very low28.1Very low176 Ų176139.1 Ų139.177%0.77280%0.8SS**  trans-82.8136.6178.4-83.9-106.4000110.7
313V28.4Very low28Very low134 Ų134133.4 Ų133.481%0.81279%0.793SS**  trans-137.8127.8132.3-174.10000108L315V313-L315 HydrophobicContact CG1-CD1 4.16Å
314N24.1Very low28.2Very low136 Ų136135.6 Ų135.673%0.72779%0.794SS**  trans-102.7129.8175.3-121.6-31.3000108.9
315L26Very low28.3Very low166 Ų166132.5 Ų132.587%0.86979%0.793SS**  trans-142.8142.1158-94.7117.2000109.5V313V313-L315 HydrophobicContact CG1-CD1 4.16Å
316S25.4Very low28.3Very low101 Ų101132.2 Ų132.271%0.70679%0.79SS**  trans-115.4160.1-158.353.40000113.7
317N24.8Very low28.4Very low158 Ų158131.8 Ų131.885%0.84579%0.786SS**  trans50104.2156.8-66.3-7.9000118.8
318S27.6Very low28.4Very low117 Ų117131.4 Ų131.482%0.81878%0.777SS**  -166.2124.4117.860.80000113.5
319S29.6Very low28.7Very low119 Ų119135.7 Ų135.783%0.83278%0.776SS**  trans-101.7144.4136.9-76.60000106.2
320P39.3Very low28.7Very low112 Ų112133.5 Ų133.573%0.72777%0.773SS**  -155.1165.883.941.1-22.3000118.1
321S29.5Very low28.8Very low95 Ų95132.9 Ų132.966%0.66478%0.781SS**  trans72.6110.6138.5-750000123.5
322R29.5Very low28.9Very low223 Ų223138.7 Ų138.784%0.84278%0.784SS**  87139.4114.7-71.8177.4170-137.2-3.8122.1
323S28.3Very low29.1Very low107 Ų107135.4 Ų135.475%0.74879%0.789SS**  trans75.7153.6151.7-61.70000117.3
324I31.3Very low29.2Very low157 Ų157140.2 Ų140.281%0.80579%0.793SS**  cis-138.6155.78.7-7.3-178.9000113.6
325L29.2Very low29.3Very low163 Ų163139.2 Ų139.285%0.85380%0.797SS**  trans-32.5152.7163.9-64.9153.5000115.9
326S29.7Very low29.7Very low102 Ų102140.7 Ų140.771%0.71380%0.796SS**  -163.1147.160.7-170.40000109.5
327G31.1Very low29.7Very low63 Ų63147 Ų14765%0.64980%0.804SS**  cis99.7133.749.100000108.4
328F31Very low29.9Very low167 Ų167145.6 Ų145.673%0.73280%0.803SS**  cis-144.8-175.113.9-73.5-79.9000108.6
329R33.2Very low29.9Very low206 Ų206147 Ų14778%0.77781%0.807SS**  cis-159.4173.10.3-124.6154.1-112.3179.7-0.8105
330G27Very low29.6Very low77 Ų77145.2 Ų145.279%0.79480%0.8SS**  cis140.385.84.100000111.9
331G28Very low29.1Very low79 Ų79147.7 Ų147.781%0.81481%0.805SS**  trans-133.5142.4179.800000112.2
332R29.7Very low29.2Very low255 Ų255149 Ų14996%0.96281%0.811SS**  trans-106.3130.4-163.6-47.9-177.7-161.7-157.95112.8
333A29.3Very low29.1Very low107 Ų107143.3 Ų143.388%0.88481%0.812SS**  trans-91.9138.2164.300000110.4
334R29.4Very low29.1Very low235 Ų235141.6 Ų141.689%0.88781%0.811SS**  trans-112.5110.1-178.5-174.3179.1-174.7178.23110.3
335S27.4Very low29Very low115 Ų115140.6 Ų140.680%0.80481%0.812SS**  trans-65.8144.9171.252.30000111.3
336K32.7Very low28.8Very low196 Ų196140.4 Ų140.485%0.85281%0.811SS**  trans-117.7130.2166.3-74.2-172.5174.9-1750108.7
337R26.2Very low28.6Very low235 Ų235140.4 Ų140.489%0.88781%0.811SS**  trans-84.6149.5162-67.5-179.5178.3172-1.9109.1
338P28.8Very low28.3Very low127 Ų127144.5 Ų144.583%0.82581%0.813SS**  trans-72152.5163-11.928.5000111.5
339V27.7Very low27.9Very low147 Ų147144.8 Ų144.889%0.89182%0.819SS**  trans-136.4149.6161.1-179.60000105.8
340A24.3Very low27.4Very low82 Ų82144.3 Ų144.368%0.67882%0.823SS**  trans-129.8-175.8-164.800000113.1
341I27.3Very low28.3Very low163 Ų163145.8 Ų145.884%0.83682%0.818SS**  trans79.9137.9168.4-51.1172.1000114.4
342P32.6Very low28Very low122 Ų122146.4 Ų146.479%0.79282%0.815SS**  cis-124.4-166.4-22.537.6-20.1000112.8
343A28Very low28Very low104 Ų104138.7 Ų138.786%0.8680%0.8SS**  trans-119.5158.5168.400000111.7
344G27.9Very low28Very low71 Ų71140.6 Ų140.673%0.73280%0.796SS**  trans178.9138.7171.500000117.1
345V28.5Very low28Very low137 Ų137136.8 Ų136.883%0.8379%0.793SS**  trans68.188.7153.9-162.30000120.1
346L24.2Very low28.2Very low159 Ų159135.3 Ų135.383%0.83279%0.788SS**  38148.7118.7-74.8163000124.2
347S25.9Very low28Very low102 Ų102134.5 Ų134.571%0.71379%0.787SS**  trans82.3147.9142.6-81.50000120
348Q25.3Very low28.2Very low149 Ų149128.4 Ų128.470%0.69678%0.781SS**  cis-144.4149.1-5-72.2-150.2109.400113.8
349M23.3Very low28.2Very low172 Ų172126.5 Ų126.585%0.84778%0.775SS**  trans62.5169.3139.5-66.5177.1-175.800123.5
350K22.1Very low28.4Very low197 Ų197126.7 Ų126.786%0.85778%0.776SS**  trans-138.6-178.3-168.7-139.4-164.3171.4-171.40106.9
351P46Very low28.6Very low107 Ų107125.9 Ų125.970%0.69578%0.777SS**  cis-131.7-145.5-19.243.6-24.3000112.3
352A22.3Very low28.8Very low92 Ų92123.8 Ų123.876%0.7678%0.776SS**  trans83.6144.2165.400000117.5
353S29.2Very low29Very low93 Ų93123.6 Ų123.665%0.6579%0.785SS**  cis-164.6149.6-8.142.70000112.3
354D29.9Very low29.5Very low148 Ų148121.1 Ų121.179%0.79177%0.769SS**  trans59.4153.8153.8-43.4-26000118.8
355D28.2Very low30Very low155 Ų155124.4 Ų124.483%0.82977%0.77SS**  cis-151.917716-136.9-30.3000113.7
356A32.1Very low30.1Very low84 Ų84125.9 Ų125.969%0.69477%0.767SS**  trans-12.6158.6169.500000122.7
357E29Very low30.7Very low178 Ų178124 Ų12483%0.83276%0.758SS**  cis-162.9162.8-0-133-166.8165.700112.9
358S29.8Very low31.4Very low108 Ų108123 Ų12376%0.75575%0.745SS**  trans52.6143.1144.4-158.50000122.5
359A29.7Very low32.1Very low86 Ų86120.8 Ų120.871%0.71174%0.741SS**  cis-168.9-179.3-24.300000110
360V31.1Very low32.8Very low151 Ų151121.7 Ų121.792%0.91574%0.735SS**  trans103.7115.8177.7-178.30000113.6
361G29.4Very low33.5Very low66 Ų66117.8 Ų117.868%0.6872%0.72SS**  trans-98.8171.6-171.400000115.4
362S30.7Very low33.2Very low118 Ų118120.3 Ų120.383%0.82572%0.716SS**  trans-151.3103.2162.6-79.40000109.5G364S362-G364 PolarHBondContact O-N 3.18Å
363A36.5Very low34Very low118 Ų118120 Ų12098%0.97571%0.708SS**THydrogen-bonded Turntrans-65.4122174.600000109.9
364G37.7Very low34.5Very low52 Ų52122.4 Ų122.454%0.53671%0.713SS.*THydrogen-bonded Turntrans171-27.8-178.200000115.5S362S362-G364 PolarHBondContact O-N 3.18Å
365L40.1Very low35Very low141 Ų141123.2 Ų123.274%0.73871%0.705SS**Hα-helixtrans-74.4-24.4-176.1-94.5158.7000115N367 D368L365-N367 PolarHBondContact O-N 3.19Å; L365-D368 PolarHBondContact O-N 3.16Å
366E30.6Very low35.3Very low167 Ų167119.9 Ų119.978%0.7869%0.694SS**Hα-helixtrans-72.1-29.3-172.9-58.1-170133.700113.7R370E366-R370 PolarHBondContact O-N 3.2Å
367N35.1Very low35.3Very low120 Ų120123.2 Ų123.264%0.64270%0.695SS**Hα-helixtrans-68.9-35.7177.9-73.2-41.6000112.2L365 V369 R370 E371L365-N367 PolarHBondContact O-N 3.19Å; N367-V369 VanDerWaalsContact C-N 3.33Å; N367-V369 PolarHBondContact O-N 2.89Å; N367-R370 PolarHBondContact O-N 3.44Å; N367-E371 PolarHBondContact O-N 2.89Å
368D42.6Very low35.6Very low80 Ų80126.2 Ų126.243%0.42870%0.699SS.*Hα-helixtrans-70.8-30.2-176.9-146.6-39.6000111.6L365 R372L365-D368 PolarHBondContact O-N 3.16Å; D368-R372 VanDerWaalsContact O-CB 3.27Å; D368-R372 WeakPolarHBondContact O-CB 3.49Å; D368-R372 PolarHBondContact O-N 3.37Å; D368-R372 IonicContact OD1-CZ 3.41Å; D368-R372 IonicContact OD1-NE 3.47Å; D368-R372 IonicContact OD1-NH2 3.06Å; D368-R372 PolarHBondContact OD1-NH2 3.46Å; D368-R372 IonicContact OD2-NH2 3.86Å
369V39.9Very low35.7Very low103 Ų103131 Ų13162%0.62470%0.702SS**Hα-helixtrans-71.2-42.2173.3-177.20000111.3N367 R372 S373N367-V369 VanDerWaalsContact C-N 3.33Å; N367-V369 PolarHBondContact O-N 2.89Å; V369-R372 PolarHBondContact O-N 3.1Å; V369-S373 PolarHBondContact O-N 2.84Å
370R36.6Very low36.1Very low192 Ų192132.4 Ų132.473%0.72570%0.703SS**Hα-helixtrans-62.8-44175.9-83.5174.861161.1-3.7112.4E366 N367 R372 S373 L374E366-R370 PolarHBondContact O-N 3.2Å; N367-R370 PolarHBondContact O-N 3.44Å; R370-R372 PolarHBondContact O-N 3.03Å; R370-S373 PolarHBondContact O-N 3.34Å; R370-L374 PolarHBondContact O-N 2.86Å
371E37.6Very low36.7Very low115 Ų115135.1 Ų135.154%0.53770%0.699SS.*Hα-helixtrans-66.1-28.4177.5-153.8-157.213200112.3N367 R375N367-E371 PolarHBondContact O-N 2.89Å; E371-R375 IonicContact OE1-CZ 3.36Å; E371-R375 IonicContact OE1-NE 2.67Å; E371-R375 IonicContact OE1-NH2 3.32Å; E371-R375 PolarHBondContact OE1-NH2 3.35Å
372R38.9Very low37.7Very low159 Ų159138.9 Ų138.960%0.670%0.703SS**Hα-helixtrans-83.1-32-179-150.8166.2-62.5-158.1-0.6113.3D368 V369 R370 R375 S376D368-R372 VanDerWaalsContact O-CB 3.27Å; D368-R372 WeakPolarHBondContact O-CB 3.49Å; D368-R372 PolarHBondContact O-N 3.37Å; D368-R372 IonicContact OD1-CZ 3.41Å; D368-R372 IonicContact OD1-NE 3.47Å; D368-R372 IonicContact OD1-NH2 3.06Å; D368-R372 PolarHBondContact OD1-NH2 3.46Å; D368-R372 IonicContact OD2-NH2 3.86Å; V369-R372 PolarHBondContact O-N 3.1Å; R370-R372 PolarHBondContact O-N 3.03Å; R372-R375 PolarHBondContact O-N 3.45Å; R372-S376 PolarHBondContact O-OG 3.02Å
373S38.6Very low38.9Very low85 Ų85141.1 Ų141.159%0.59470%0.701SS**Hα-helixtrans-62.9-46.9173-168.50000111.6V369 R370 R375 S376V369-S373 PolarHBondContact O-N 2.84Å; R370-S373 PolarHBondContact O-N 3.34Å; S373-R375 PolarHBondContact O-N 2.75Å; S373-S376 WeakPolarHBondContact O-CB 3.24Å; S373-S376 PolarHBondContact O-N 3.33Å
374L39.7Very low40.2Very low144 Ų144144.6 Ų144.675%0.75469%0.689SS**THydrogen-bonded Turntrans-64.7-12.6178.8-67.4173.9000114.6R370 S376R370-L374 PolarHBondContact O-N 2.86Å; L374-S376 VanDerWaalsContact C-N 3.34Å
375R42.1Very low41.9Very low166 Ų166144.7 Ų144.763%0.62668%0.676SS**THydrogen-bonded Turntrans-83.1-7.6172.2-71.6173.6179.2-100.6-0.4114E371 R372 S373E371-R375 IonicContact OE1-CZ 3.36Å; E371-R375 IonicContact OE1-NE 2.67Å; E371-R375 IonicContact OE1-NH2 3.32Å; E371-R375 PolarHBondContact OE1-NH2 3.35Å; R372-R375 PolarHBondContact O-N 3.45Å; S373-R375 PolarHBondContact O-N 2.75Å
376S33.8Very low43.4Very low85 Ų85142.4 Ų142.459%0.59466%0.664SS**  trans-103.9-1.6-169.5-55.40000114R372 S373 L374 W378R372-S376 PolarHBondContact O-OG 3.02Å; S373-S376 WeakPolarHBondContact O-CB 3.24Å; S373-S376 PolarHBondContact O-N 3.33Å; L374-S376 VanDerWaalsContact C-N 3.34Å; S376-W378 PolarHBondContact O-N 3.15Å
377Q31.1Very low45.5Very low153 Ų153134.4 Ų134.472%0.71563%0.627SS**SBendtrans-77.6115.1169.1-161.9164.519.700109Y379Q377-Y379 PolarHBondContact O-N 2.88Å
378W35.6Very low46.9Very low242 Ų242132.2 Ų132.292%0.91761%0.614SS**  trans-67.7112.7-173.8-76.957.4000111S376 P380S376-W378 PolarHBondContact O-N 3.15Å; W378-P380 WeakPolarHBondContact O-CD 3.07Å
379Y33Very low47.7Very low209 Ų209129.9 Ų129.982%0.8260%0.6SS**  trans-76.8120.7160.2-75.5-92.3000108.4Q377Q377-Y379 PolarHBondContact O-N 2.88Å
380P38.7Very low49Very low115 Ų115127.4 Ų127.475%0.74759%0.586SS**  trans-70.8146.7178.529.4-34000111.1W378W378-P380 WeakPolarHBondContact O-CD 3.07Å
381Y42.7Very low50.5Low207 Ų207120.7 Ų120.781%0.81258%0.577SS**SBendtrans61.589.4162.8-115.6-92.9000119.3E383Y381-E383 VanDerWaalsContact C-N 3.3Å; Y381-E383 PolarHBondContact O-N 3.33Å
382N50.8Low52.2Low146 Ų146121.1 Ų121.178%0.78158%0.577SS**  49.814.7124.6-85.5-28.4000122.4R384N382-R384 PolarHBondContact O-N 3.42Å
383E54.5Low53.9Low164 Ų164117.4 Ų117.477%0.76657%0.572SS**  trans-62.4112.8165.8-72.7-168.1166.400110.5Y381 L385Y381-E383 VanDerWaalsContact C-N 3.3Å; Y381-E383 PolarHBondContact O-N 3.33Å; E383-L385 PolarHBondContact O-N 3.3Å
384R63.8Low55.9Low192 Ų192115.4 Ų115.473%0.72555%0.553SS**  trans-74.3105.7174.4-65.9-177.4-174.41723.9108N382 I386 T393N382-R384 PolarHBondContact O-N 3.42Å; R384-I386 WeakPolarHBondContact O-CG1 3.39Å; R384-I386 PolarHBondContact O-N 3.33Å; R384-T393 HydrophobicContact CB-CG2 4.2Å
385L74.3Confident57.7Low53 Ų53115.2 Ų115.228%0.27755%0.552SS.*EExtended strand (participates in β ladder)trans-71.6100.8-176.6-64.8169.5000110E383 F394 K397 L400E383-L385 PolarHBondContact O-N 3.3Å; L385-F394 PolarHBondContact N-O 3.3Å; L385-F394 PolarHBondContact O-N 3.42Å; L385-K397 HydrophobicContact CD1-CB 3.97Å; L385-K397 VanDerWaalsContact CD1-N 3.3Å; L385-L400 HydrophobicContact CB-CD2 3.94Å
386I71.4Confident59.4Low93 Ų93112.3 Ų112.348%0.47755%0.546SS..EExtended strand (participates in β ladder)trans-84.7136.2-172.7-44-164.8000111R384 I388 T393R384-I386 WeakPolarHBondContact O-CG1 3.39Å; R384-I386 PolarHBondContact O-N 3.33Å; I386-I388 PolarHBondContact O-N 3.28Å; I386-T393 HydrophobicContact CD1-CG2 4.47Å; I386-T393 HydrophobicContact CG1-CG2 4.27Å
387C74.4Confident61.4Low0 Ų0115.1 Ų115.10%055%0.547CS..  trans-69.1107.4165.9170.90000111Y389 C390 G391 K392 F394 L400 H403 M404 H407C387-Y389 PolarHBondContact O-N 3.28Å; C387-Y389 VanDerWaalsContact O-N 3.13Å; C387-C390 PolarHBondContact O-N 2.8Å; C387-C390 PolarHBondContact SG-N 3.02Å; C387-C390 PolarHBondContact SG-SG 2.93Å; C387-G391 WeakPolarHBondContact O-CA 3.07Å; C387-G391 PolarHBondContact O-N 2.78Å; C387-K392 HydrophobicContact CB-CB 4.19Å; C387-K392 VanDerWaalsContact CB-O 3.3Å; C387-K392 WeakPolarHBondContact CB-O 3.2Å; C387-K392 PolarHBondContact N-O 3.03Å; C387-F394 HydrophobicContact CB-CE2 3.98Å; C387-L400 HydrophobicContact CB-CD1 3.94Å; C387-H403 PolarHBondContact SG-CD2 3.35Å; C387-H403 PolarHBondContact SG-NE2 3.08Å; C387-M404 HydrophobicContact CB-CE 4.24Å; C387-M404 WeakPolarHBondContact SG-CE 3.38Å; C387-H407 PolarHBondContact SG-NE2 2.9Å
388I65.3Low63.6Low73 Ų73109.9 Ų109.937%0.37454%0.535SS..THydrogen-bonded Turntrans-58.8-26.2179.167.6-179.1000113L116 K117 I386 M404L116-I388 HydrophobicContact CB-CB 4.44Å; L116-I388 HydrophobicContact CD1-CD1 4.38Å; K117-I388 WeakPolarHBondContact CA-O 3.29Å; I386-I388 PolarHBondContact O-N 3.28Å; I388-M404 HydrophobicContact CG1-SD 4.36Å
389Y58.8Low65.6Low32 Ų3299.1 Ų99.113%0.12550%0.497CS..THydrogen-bonded Turntrans-88.2-12.1-178-66.4-103.6000114.8I119 I120 C387 M404 H407I119-Y389 HydrophobicContact CG2-CD1 3.85Å; I119-Y389 HydrophobicContact CG2-CE1 3.78Å; I120-Y389 HydrophobicContact CD1-CD1 3.87Å; I120-Y389 HydrophobicContact CD1-CG 4.44Å; I120-Y389 HydrophobicContact CG1-CD1 3.76Å; C387-Y389 PolarHBondContact O-N 3.28Å; C387-Y389 VanDerWaalsContact O-N 3.13Å; Y389-M404 HydrophobicContact CD2-CE 3.29Å; Y389-M404 HydrophobicContact CD2-SD 3.72Å; Y389-M404 HydrophobicContact CE2-CE 4.01Å; Y389-M404 HydrophobicContact CE2-SD 3.94Å; Y389-M404 HydrophobicContact CG-CE 4.05Å; Y389-H407 HydrophobicContact CD1-CB 4.01Å; Y389-H407 HydrophobicContact CG-CB 4.01Å
390C68.3Low67.8Low50 Ų5090.5 Ų90.534%0.33846%0.464SS..THydrogen-bonded Turntrans-160.520.9176.674.30000116.9C387 K392 H403 H407C387-C390 PolarHBondContact O-N 2.8Å; C387-C390 PolarHBondContact SG-N 3.02Å; C387-C390 PolarHBondContact SG-SG 2.93Å; C390-K392 PolarHBondContact O-N 3.3Å; C390-H403 PolarHBondContact SG-NE2 2.63Å; C390-H407 WeakPolarHBondContact CB-CE1 3.3Å; C390-H407 PolarHBondContact SG-CE1 3.19Å; C390-H407 PolarHBondContact SG-NE2 3.29Å
391G66.4Low69.5Low52 Ų5287.7 Ų87.754%0.53644%0.443SS..  trans69-1.9172.800000116.6C387 T393C387-G391 WeakPolarHBondContact O-CA 3.07Å; C387-G391 PolarHBondContact O-N 2.78Å; G391-T393 PolarHBondContact O-N 2.86Å
392K73.1Confident71Confident124 Ų12482.1 Ų82.154%0.53942%0.42SS..  trans-68.3122.7-178.4-70.2-179.7-172.8178.70111.3C387 C390 F394C387-K392 HydrophobicContact CB-CB 4.19Å; C387-K392 VanDerWaalsContact CB-O 3.3Å; C387-K392 WeakPolarHBondContact CB-O 3.2Å; C387-K392 PolarHBondContact N-O 3.03Å; C390-K392 PolarHBondContact O-N 3.3Å; K392-F394 HydrophobicContact CB-CE2 3.73Å; K392-F394 HydrophobicContact CB-CZ 4.06Å; K392-F394 VanDerWaalsContact O-CD2 3.23Å; K392-F394 WeakPolarHBondContact O-CD2 3.28Å; K392-F394 VanDerWaalsContact O-CE2 3.22Å; K392-F394 WeakPolarHBondContact O-CE2 3.09Å
393T75.3Confident72.4Confident80 Ų8076.2 Ų76.249%0.49139%0.388SS..EExtended strand (participates in β ladder)trans-82.3132.8177.757.80000111.8R384 I386 G391R384-T393 HydrophobicContact CB-CG2 4.2Å; I386-T393 HydrophobicContact CD1-CG2 4.47Å; I386-T393 HydrophobicContact CG1-CG2 4.27Å; G391-T393 PolarHBondContact O-N 2.86Å
394F80.6Confident73.2Confident44 Ų4469.5 Ų69.519%0.19336%0.357CS..EExtended strand (participates in β ladder)trans-118.6151.5174.6-63.6-88.2000111.1L385 C387 K392 L400 H403L385-F394 PolarHBondContact N-O 3.3Å; L385-F394 PolarHBondContact O-N 3.42Å; C387-F394 HydrophobicContact CB-CE2 3.98Å; K392-F394 HydrophobicContact CB-CE2 3.73Å; K392-F394 HydrophobicContact CB-CZ 4.06Å; K392-F394 VanDerWaalsContact O-CD2 3.23Å; K392-F394 WeakPolarHBondContact O-CD2 3.28Å; K392-F394 VanDerWaalsContact O-CE2 3.22Å; K392-F394 WeakPolarHBondContact O-CE2 3.09Å; F394-L400 HydrophobicContact CB-CB 4.2Å; F394-L400 HydrophobicContact CD2-CB 4.12Å; F394-L400 HydrophobicContact CD2-CD1 4.01Å; F394-L400 HydrophobicContact CE2-CD1 4.33Å; F394-L400 HydrophobicContact CG-CB 4.24Å; F394-H403 HydrophobicContact CE1-CB 4.17Å; F394-H403 HydrophobicContact CE2-CB 4.14Å; F394-H403 AromaticContact CE2-CD2 3.32Å; F394-H403 WeakPolarHBondContact CE2-CD2 3.48Å; F394-H403 AromaticContact CE2-CG 3.86Å; F394-H403 HydrophobicContact CZ-CB 3.66Å; F394-H403 AromaticContact CZ-CD2 3.36Å; F394-H403 WeakPolarHBondContact CZ-CD2 3.5Å; F394-H403 AromaticContact CZ-CG 3.44Å; F394-H403 VanDerWaalsContact CZ-CG 3.44Å
395N76.9Confident73.8Confident140 Ų14064.2 Ų64.275%0.74934%0.337SS*.SBendtrans-97.45.2177.561.8-13.7000113.4
396Q79.1Confident73.7Confident105 Ų10566.5 Ų66.549%0.49135%0.349SS..SBendtrans-152.5132.7-177.2-64.1-178.4-2.400111G398 S399 L400Q396-G398 VanDerWaalsContact C-N 3.34Å; Q396-G398 PolarHBondContact O-N 3.2Å; Q396-S399 WeakPolarHBondContact O-CA 3.29Å; Q396-S399 WeakPolarHBondContact O-CB 3.18Å; Q396-S399 PolarHBondContact O-N 3.29Å; Q396-L400 PolarHBondContact O-N 3.17Å; Q396-L400 VanDerWaalsContact O-N 3.15Å
397K75Confident73.7Confident143 Ų14365.2 Ų65.262%0.62234%0.341SS*.Hα-helixtrans-55.9-43.5179.7-172.2171.6178.9174.80112.7L385 S399 L400 D401L385-K397 HydrophobicContact CD1-CB 3.97Å; L385-K397 VanDerWaalsContact CD1-N 3.3Å; K397-S399 PolarHBondContact O-N 3.29Å; K397-L400 PolarHBondContact O-N 3.2Å; K397-L400 VanDerWaalsContact O-N 3.16Å; K397-D401 PolarHBondContact O-N 2.94Å
398G76.6Confident73Confident44 Ų4468.8 Ų68.845%0.45436%0.359SS..Hα-helixtrans-69.3-14.3175.700000115.2Q396 R402Q396-G398 VanDerWaalsContact C-N 3.34Å; Q396-G398 PolarHBondContact O-N 3.2Å; G398-R402 VanDerWaalsContact O-CB 3.27Å; G398-R402 WeakPolarHBondContact O-CB 3.48Å
399S77.9Confident72.9Confident16 Ų1667.7 Ų67.711%0.11237%0.365CS..Hα-helixtrans-84.9-34.6168.9-75.40000112.1Q396 K397 R402 H403Q396-S399 WeakPolarHBondContact O-CA 3.29Å; Q396-S399 WeakPolarHBondContact O-CB 3.18Å; Q396-S399 PolarHBondContact O-N 3.29Å; K397-S399 PolarHBondContact O-N 3.29Å; S399-R402 PolarHBondContact OG-NH2 3.27Å; S399-H403 WeakPolarHBondContact O-CB 3.42Å; S399-H403 PolarHBondContact O-N 3.05Å
400L79.5Confident73.2Confident28 Ų2870 Ų7015%0.14738%0.379CS..Hα-helixtrans-65.8-55.2171.1171.457.1000111.3L385 C387 F394 Q396 K397 R402 H403 M404L385-L400 HydrophobicContact CB-CD2 3.94Å; C387-L400 HydrophobicContact CB-CD1 3.94Å; F394-L400 HydrophobicContact CB-CB 4.2Å; F394-L400 HydrophobicContact CD2-CB 4.12Å; F394-L400 HydrophobicContact CD2-CD1 4.01Å; F394-L400 HydrophobicContact CE2-CD1 4.33Å; F394-L400 HydrophobicContact CG-CB 4.24Å; Q396-L400 PolarHBondContact O-N 3.17Å; Q396-L400 VanDerWaalsContact O-N 3.15Å; K397-L400 PolarHBondContact O-N 3.2Å; K397-L400 VanDerWaalsContact O-N 3.16Å; L400-R402 PolarHBondContact O-N 3.41Å; L400-H403 CarbonylContact O-C 3.57Å; L400-H403 VanDerWaalsContact O-CA 3.3Å; L400-H403 WeakPolarHBondContact O-CA 3.46Å; L400-H403 VanDerWaalsContact O-CB 3.29Å; L400-H403 WeakPolarHBondContact O-CB 3.5Å; L400-H403 PolarHBondContact O-N 3.09Å; L400-M404 HydrophobicContact CD1-CE 4.34Å; L400-M404 HydrophobicContact CD1-CG 4.06Å; L400-M404 HydrophobicContact CD1-SD 3.94Å; L400-M404 HydrophobicContact CG-CG 4.37Å; L400-M404 WeakPolarHBondContact O-CG 3.38Å; L400-M404 PolarHBondContact O-N 2.9Å
401D75.4Confident73.3Confident55 Ų5569.8 Ų69.829%0.29438%0.376SS..Hα-helixtrans-54.6-50.4179.9141.661.9000112K397 H403 M404 R405K397-D401 PolarHBondContact O-N 2.94Å; D401-H403 PolarHBondContact O-N 3.42Å; D401-H403 VanDerWaalsContact O-N 3.1Å; D401-M404 WeakPolarHBondContact O-CA 3.35Å; D401-M404 WeakPolarHBondContact O-CB 3.29Å; D401-M404 PolarHBondContact O-N 3.47Å; D401-R405 PolarHBondContact O-N 3.43Å; D401-R405 IonicContact OD1-CZ 2.72Å; D401-R405 VanDerWaalsContact OD1-CZ 3.28Å; D401-R405 IonicContact OD1-NE 2.81Å; D401-R405 PolarHBondContact OD1-NE 3.31Å; D401-R405 IonicContact OD1-NH2 3.53Å; D401-R405 PolarHBondContact OD1-NH2 3.3Å; D401-R405 IonicContact OD2-CZ 3.22Å; D401-R405 IonicContact OD2-NE 3Å; D401-R405 IonicContact OD2-NH2 2.6Å; D401-R405 PolarHBondContact OD2-NH2 3.42Å
402R74.4Confident73.5Confident90 Ų9070.9 Ų70.934%0.3437%0.374SS..Hα-helixtrans-55.6-29.9173.8179.818061.5-171.3-9.4113.2G398 S399 L400 R424G398-R402 VanDerWaalsContact O-CB 3.27Å; G398-R402 WeakPolarHBondContact O-CB 3.48Å; S399-R402 PolarHBondContact OG-NH2 3.27Å; L400-R402 PolarHBondContact O-N 3.41Å; R402-R424 HydrophobicContact CG-CG 3.99Å
403H78.4Confident73.6Confident23 Ų2367.7 Ų67.711%0.10636%0.36CS..Hα-helixtrans-80.2-31.9174.3174.558.5000112.7C387 C390 F394 S399 L400 D401 R405 L406 H407C387-H403 PolarHBondContact SG-CD2 3.35Å; C387-H403 PolarHBondContact SG-NE2 3.08Å; C390-H403 PolarHBondContact SG-NE2 2.63Å; F394-H403 HydrophobicContact CE1-CB 4.17Å; F394-H403 HydrophobicContact CE2-CB 4.14Å; F394-H403 AromaticContact CE2-CD2 3.32Å; F394-H403 WeakPolarHBondContact CE2-CD2 3.48Å; F394-H403 AromaticContact CE2-CG 3.86Å; F394-H403 HydrophobicContact CZ-CB 3.66Å; F394-H403 AromaticContact CZ-CD2 3.36Å; F394-H403 WeakPolarHBondContact CZ-CD2 3.5Å; F394-H403 AromaticContact CZ-CG 3.44Å; F394-H403 VanDerWaalsContact CZ-CG 3.44Å; S399-H403 WeakPolarHBondContact O-CB 3.42Å; S399-H403 PolarHBondContact O-N 3.05Å; L400-H403 CarbonylContact O-C 3.57Å; L400-H403 VanDerWaalsContact O-CA 3.3Å; L400-H403 WeakPolarHBondContact O-CA 3.46Å; L400-H403 VanDerWaalsContact O-CB 3.29Å; L400-H403 WeakPolarHBondContact O-CB 3.5Å; L400-H403 PolarHBondContact O-N 3.09Å; D401-H403 PolarHBondContact O-N 3.42Å; D401-H403 VanDerWaalsContact O-N 3.1Å; H403-R405 VanDerWaalsContact C-N 3.29Å; H403-R405 PolarHBondContact O-N 3.49Å; H403-L406 WeakPolarHBondContact O-CB 3.33Å; H403-L406 PolarHBondContact O-N 3Å; H403-L406 VanDerWaalsContact O-N 3.12Å; H403-H407 AromaticContact CD2-NE2 3.34Å; H403-H407 PolarHBondContact CD2-NE2 2.84Å; H403-H407 VanDerWaalsContact CD2-NE2 3.34Å; H403-H407 AromaticContact CE1-CD2 3.94Å; H403-H407 AromaticContact CE1-NE2 2.78Å; H403-H407 PolarHBondContact CE1-NE2 2.94Å; H403-H407 AromaticContact ND1-NE2 3.85Å; H403-H407 AromaticContact NE2-CD2 3.81Å; H403-H407 AromaticContact NE2-NE2 2.34Å; H403-H407 PolarHBondContact NE2-NE2 3.18Å
404M72.3Confident73.7Confident22 Ų2267.3 Ų67.311%0.10836%0.357CS..Hα-helixtrans-61.7-36.9173.2-55.9-80.860.700112.2C387 I388 Y389 L400 D401 L406 H407 M408C387-M404 HydrophobicContact CB-CE 4.24Å; C387-M404 WeakPolarHBondContact SG-CE 3.38Å; I388-M404 HydrophobicContact CG1-SD 4.36Å; Y389-M404 HydrophobicContact CD2-CE 3.29Å; Y389-M404 HydrophobicContact CD2-SD 3.72Å; Y389-M404 HydrophobicContact CE2-CE 4.01Å; Y389-M404 HydrophobicContact CE2-SD 3.94Å; Y389-M404 HydrophobicContact CG-CE 4.05Å; L400-M404 HydrophobicContact CD1-CE 4.34Å; L400-M404 HydrophobicContact CD1-CG 4.06Å; L400-M404 HydrophobicContact CD1-SD 3.94Å; L400-M404 HydrophobicContact CG-CG 4.37Å; L400-M404 WeakPolarHBondContact O-CG 3.38Å; L400-M404 PolarHBondContact O-N 2.9Å; D401-M404 WeakPolarHBondContact O-CA 3.35Å; D401-M404 WeakPolarHBondContact O-CB 3.29Å; D401-M404 PolarHBondContact O-N 3.47Å; M404-L406 PolarHBondContact O-N 3.47Å; M404-L406 VanDerWaalsContact O-N 3.09Å; M404-H407 PolarHBondContact O-N 3.13Å; M404-M408 WeakPolarHBondContact O-CG 3.33Å; M404-M408 PolarHBondContact O-N 3.37Å
405R76.3Confident73.7Confident82 Ų8265.3 Ų65.331%0.30935%0.349SS..Hα-helixtrans-59-22.1174.8-59.2172-159.4-161.70.7113.9D401 H403 G409 I410D401-R405 PolarHBondContact O-N 3.43Å; D401-R405 IonicContact OD1-CZ 2.72Å; D401-R405 VanDerWaalsContact OD1-CZ 3.28Å; D401-R405 IonicContact OD1-NE 2.81Å; D401-R405 PolarHBondContact OD1-NE 3.31Å; D401-R405 IonicContact OD1-NH2 3.53Å; D401-R405 PolarHBondContact OD1-NH2 3.3Å; D401-R405 IonicContact OD2-CZ 3.22Å; D401-R405 IonicContact OD2-NE 3Å; D401-R405 IonicContact OD2-NH2 2.6Å; D401-R405 PolarHBondContact OD2-NH2 3.42Å; H403-R405 VanDerWaalsContact C-N 3.29Å; H403-R405 PolarHBondContact O-N 3.49Å; R405-G409 PolarHBondContact O-N 2.93Å; R405-I410 PolarHBondContact O-N 3.4Å; R405-I410 VanDerWaalsContact O-N 3.15Å
406L72.9Confident73.5Confident101 Ų10168.4 Ų68.453%0.52936%0.356SS..Hα-helixtrans-75.2-35.1172.4-66.2162.4000112.3H403 M404 T423H403-L406 WeakPolarHBondContact O-CB 3.33Å; H403-L406 PolarHBondContact O-N 3Å; H403-L406 VanDerWaalsContact O-N 3.12Å; M404-L406 PolarHBondContact O-N 3.47Å; M404-L406 VanDerWaalsContact O-N 3.09Å; L406-T423 HydrophobicContact CD2-CG2 3.84Å; L406-T423 HydrophobicContact CG-CG2 4.46Å
407H70.5Confident73.2Confident66 Ų6669.5 Ų69.531%0.30636%0.359SS..Hα-helixtrans-77-38178.2-69.5-73.4000112.1I120 C387 Y389 C390 H403 M404 G409I120-H407 HydrophobicContact CD1-CB 4.34Å; I120-H407 WeakPolarHBondContact CD1-ND1 3.4Å; C387-H407 PolarHBondContact SG-NE2 2.9Å; Y389-H407 HydrophobicContact CD1-CB 4.01Å; Y389-H407 HydrophobicContact CG-CB 4.01Å; C390-H407 WeakPolarHBondContact CB-CE1 3.3Å; C390-H407 PolarHBondContact SG-CE1 3.19Å; C390-H407 PolarHBondContact SG-NE2 3.29Å; H403-H407 AromaticContact CD2-NE2 3.34Å; H403-H407 PolarHBondContact CD2-NE2 2.84Å; H403-H407 VanDerWaalsContact CD2-NE2 3.34Å; H403-H407 AromaticContact CE1-CD2 3.94Å; H403-H407 AromaticContact CE1-NE2 2.78Å; H403-H407 PolarHBondContact CE1-NE2 2.94Å; H403-H407 AromaticContact ND1-NE2 3.85Å; H403-H407 AromaticContact NE2-CD2 3.81Å; H403-H407 AromaticContact NE2-NE2 2.34Å; H403-H407 PolarHBondContact NE2-NE2 3.18Å; M404-H407 PolarHBondContact O-N 3.13Å; H407-G409 PolarHBondContact O-N 2.96Å
408M60.6Low73.2Confident75 Ų7565.2 Ų65.237%0.36935%0.346SS..SBendtrans-78.5-2177.8-56.7171.382.500113.3M404 I410M404-M408 WeakPolarHBondContact O-CG 3.33Å; M404-M408 PolarHBondContact O-N 3.37Å; M408-I410 HydrophobicContact CB-CD1 3.73Å; M408-I410 HydrophobicContact CB-CG1 3.76Å; M408-I410 HydrophobicContact CE-CD1 3.82Å; M408-I410 HydrophobicContact CG-CD1 4.48Å; M408-I410 PolarHBondContact O-N 3Å; M408-I410 HydrophobicContact SD-CD1 4.01Å
409G62.8Low73Confident50 Ų5065.3 Ų65.352%0.51535%0.348SS..  trans66.72.3-175.700000115.6R405 H407 T411R405-G409 PolarHBondContact O-N 2.93Å; H407-G409 PolarHBondContact O-N 2.96Å; G409-T411 PolarHBondContact O-N 2.75Å; G409-T411 PolarHBondContact O-OG1 3.35Å
410I64.3Low72.9Confident80 Ų8070.4 Ų70.441%0.4137%0.368SS..  trans-68.7104.9-172.2-60.8173.9000109.8R405 M408 P412R405-I410 PolarHBondContact O-N 3.4Å; R405-I410 VanDerWaalsContact O-N 3.15Å; M408-I410 HydrophobicContact CB-CD1 3.73Å; M408-I410 HydrophobicContact CB-CG1 3.76Å; M408-I410 HydrophobicContact CE-CD1 3.82Å; M408-I410 HydrophobicContact CG-CD1 4.48Å; M408-I410 PolarHBondContact O-N 3Å; M408-I410 HydrophobicContact SD-CD1 4.01Å; I410-P412 VanDerWaalsContact O-CD 3.27Å; I410-P412 WeakPolarHBondContact O-CD 3.24Å
411T70.8Confident72.9Confident46 Ų4675.8 Ų75.828%0.28239%0.39SS..  trans-116.474.7-177.742.60000110.5G409 F413 K421 Y422 T423G409-T411 PolarHBondContact O-N 2.75Å; G409-T411 PolarHBondContact O-OG1 3.35Å; T411-F413 PolarHBondContact O-N 2.96Å; T411-K421 HydrophobicContact CG2-CB 4.29Å; T411-K421 WeakPolarHBondContact OG1-CB 3.16Å; T411-Y422 CarbonylContact C-O 3.55Å; T411-Y422 VanDerWaalsContact C-O 3.32Å; T411-Y422 VanDerWaalsContact CA-O 3.3Å; T411-Y422 WeakPolarHBondContact CA-O 3.36Å; T411-T423 HydrophobicContact CG2-CG2 3.59Å
412P70.6Confident73Confident75 Ų7575.4 Ų75.449%0.48739%0.385SS..  trans-77.6-2.7-169.433.6-34.2000113.2I410I410-P412 VanDerWaalsContact O-CD 3.27Å; I410-P412 WeakPolarHBondContact O-CD 3.24Å
413F75Confident73Confident56 Ų5671.8 Ų71.825%0.24637%0.373CS..EExtended strand (participates in β ladder)trans-110.5100-177.6-57.9-71000110.1T411 K421 Y422 K425 L428T411-F413 PolarHBondContact O-N 2.96Å; F413-K421 CarbonylContact O-C 3.47Å; F413-Y422 PolarHBondContact N-O 3.08Å; F413-Y422 PolarHBondContact O-N 3.42Å; F413-K425 HydrophobicContact CD1-CB 4.05Å; F413-K425 HydrophobicContact CD1-CG 4.45Å; F413-K425 VanDerWaalsContact CD2-N 3.32Å; F413-K425 HydrophobicContact CE1-CB 3.71Å; F413-K425 HydrophobicContact CE1-CG 4.22Å; F413-K425 HydrophobicContact CE2-CB 4.33Å; F413-K425 VanDerWaalsContact CE2-N 3.32Å; F413-K425 HydrophobicContact CZ-CB 3.85Å; F413-L428 HydrophobicContact CB-CB 3.87Å; F413-L428 HydrophobicContact CB-CD2 3.71Å; F413-L428 HydrophobicContact CB-CG 4.37Å
414V77Confident72.8Confident72 Ų7274 Ų7444%0.43638%0.38SS..EExtended strand (participates in β ladder)trans-102.1136.4-177.7-173.10000111.2K416 K421V414-K416 PolarHBondContact O-N 2.97Å; V414-K421 HydrophobicContact CG1-CG 4.48Å; V414-K421 HydrophobicContact CG2-CB 4.48Å; V414-K421 HydrophobicContact CG2-CG 4.13Å
415C80.8Confident72.9Confident2 Ų279.7 Ų79.71%0.01440%0.404CS..  trans-76.7115.8176.1-171.80000112.1F417 C418 G419 K420 Y422 L428 H431C415-F417 PolarHBondContact O-N 2.92Å; C415-C418 PolarHBondContact O-N 3.4Å; C415-G419 WeakPolarHBondContact O-CA 3.43Å; C415-G419 PolarHBondContact O-N 3.36Å; C415-K420 HydrophobicContact CB-CB 4.46Å; C415-K420 WeakPolarHBondContact CB-O 3.49Å; C415-K420 PolarHBondContact N-O 2.99Å; C415-Y422 HydrophobicContact CB-CE2 4.45Å; C415-L428 HydrophobicContact CB-CD1 3.8Å; C415-H431 VanDerWaalsContact SG-CD2 3.53Å
416K74.4Confident72.9Confident206 Ų20679.7 Ų79.790%0.89641%0.41SS*.THydrogen-bonded Turntrans-61.6-23.2176.6-63.2-170.4176.9-1720114V414V414-K416 PolarHBondContact O-N 2.97Å
417F70.9Confident73.2Confident127 Ų12778.7 Ų78.756%0.55740%0.403SS*.THydrogen-bonded Turntrans-88.6-20.2-177.5-61.4-78.7000114.5C415 I432 H435C415-F417 PolarHBondContact O-N 2.92Å; F417-I432 HydrophobicContact CD2-CG1 4.35Å; F417-I432 HydrophobicContact CE2-CG1 4.46Å; F417-I432 HydrophobicContact CE2-CG2 3.99Å; F417-H435 HydrophobicContact CB-CB 4.24Å; F417-H435 HydrophobicContact CD2-CB 4.02Å; F417-H435 HydrophobicContact CG-CB 4.02Å
418C76Confident73.7Confident53 Ų5376.6 Ų76.636%0.35839%0.394SS..THydrogen-bonded Turntrans-15615.8-176.468.90000115.8C415 K420 H431 H435C415-C418 PolarHBondContact O-N 3.4Å; C418-K420 PolarHBondContact O-N 3.03Å; C418-H431 PolarHBondContact SG-NE2 3.2Å; C418-H435 VanDerWaalsContact SG-CE1 3.58Å; C418-H435 PolarHBondContact SG-NE2 3.22Å; C418-H435 VanDerWaalsContact SG-NE2 3.41Å
419G73.2Confident74.5Confident47 Ų4777.2 Ų77.249%0.48540%0.396SS..  trans69.5-8.8175.700000116.7C415 K421C415-G419 WeakPolarHBondContact O-CA 3.43Å; C415-G419 PolarHBondContact O-N 3.36Å; G419-K421 PolarHBondContact O-N 3.21Å
420K75.3Confident75.2Confident123 Ų12380.8 Ų80.854%0.53540%0.395SS..  trans-60.6130-178.7-68.4-176.9-173.7-177.20111.5C415 C418 Y422C415-K420 HydrophobicContact CB-CB 4.46Å; C415-K420 WeakPolarHBondContact CB-O 3.49Å; C415-K420 PolarHBondContact N-O 2.99Å; C418-K420 PolarHBondContact O-N 3.03Å; K420-Y422 HydrophobicContact CB-CE2 3.77Å; K420-Y422 WeakPolarHBondContact O-CD2 3.37Å; K420-Y422 WeakPolarHBondContact O-CE2 3.48Å
421K79.3Confident75.9Confident140 Ų14078.8 Ų78.861%0.60938%0.384SS*.EExtended strand (participates in β ladder)trans-100145.5-176.4-41.6-173.1-178.5179.10111.4T411 F413 V414 G419T411-K421 HydrophobicContact CG2-CB 4.29Å; T411-K421 WeakPolarHBondContact OG1-CB 3.16Å; F413-K421 CarbonylContact O-C 3.47Å; V414-K421 HydrophobicContact CG1-CG 4.48Å; V414-K421 HydrophobicContact CG2-CB 4.48Å; V414-K421 HydrophobicContact CG2-CG 4.13Å; G419-K421 PolarHBondContact O-N 3.21Å
422Y77.7Confident76.2Confident48 Ų4879 Ų7919%0.18838%0.383CS..EExtended strand (participates in β ladder)trans-134.9147.7-176.4-63.4-87.4000110.9T411 F413 C415 K420 R424 Q427 L428 H431T411-Y422 CarbonylContact C-O 3.55Å; T411-Y422 VanDerWaalsContact C-O 3.32Å; T411-Y422 VanDerWaalsContact CA-O 3.3Å; T411-Y422 WeakPolarHBondContact CA-O 3.36Å; F413-Y422 PolarHBondContact N-O 3.08Å; F413-Y422 PolarHBondContact O-N 3.42Å; C415-Y422 HydrophobicContact CB-CE2 4.45Å; K420-Y422 HydrophobicContact CB-CE2 3.77Å; K420-Y422 WeakPolarHBondContact O-CD2 3.37Å; K420-Y422 WeakPolarHBondContact O-CE2 3.48Å; Y422-R424 VanDerWaalsContact C-N 3.32Å; Y422-Q427 HydrophobicContact CD1-CB 3.86Å; Y422-Q427 HydrophobicContact CG-CB 4.35Å; Y422-L428 HydrophobicContact CD2-CB 4.18Å; Y422-L428 HydrophobicContact CD2-CD1 3.95Å; Y422-L428 HydrophobicContact CE2-CD1 4.33Å; Y422-L428 HydrophobicContact CG-CB 4.38Å; Y422-H431 HydrophobicContact CE1-CB 4.35Å; Y422-H431 HydrophobicContact CE2-CB 4.1Å; Y422-H431 AromaticContact CE2-CD2 3.43Å; Y422-H431 VanDerWaalsContact CE2-CD2 3.43Å; Y422-H431 WeakPolarHBondContact CE2-CD2 3.39Å; Y422-H431 AromaticContact CE2-CG 3.92Å; Y422-H431 AromaticContact CZ-CD2 3.56Å; Y422-H431 AromaticContact CZ-CG 3.65Å; Y422-H431 PolarHBondContact OH-CD2 2.94Å; Y422-H431 PolarHBondContact OH-NE2 3.32Å
423T73.4Confident76.3Confident13 Ų1381.6 Ų81.68%0.0838%0.382CS..SBendtrans-82.8-8.4176.6550000113.2L406 T411L406-T423 HydrophobicContact CD2-CG2 3.84Å; L406-T423 HydrophobicContact CG-CG2 4.46Å; T411-T423 HydrophobicContact CG2-CG2 3.59Å
424R74.3Confident76Confident70 Ų7081.2 Ų81.226%0.26439%0.394SS..SBendtrans-138.8142.4-176.6-55.1162.753.4154-4.1113R402 Y422 D426 Q427 L428R402-R424 HydrophobicContact CG-CG 3.99Å; Y422-R424 VanDerWaalsContact C-N 3.32Å; R424-D426 WeakPolarHBondContact CB-OD1 3.32Å; R424-D426 IonicContact CZ-OD1 3.45Å; R424-D426 IonicContact CZ-OD2 3.56Å; R424-D426 IonicContact NE-OD1 3.54Å; R424-D426 PolarHBondContact NE-OD1 3.13Å; R424-D426 IonicContact NE-OD2 3.51Å; R424-D426 IonicContact NH2-OD1 3.9Å; R424-D426 PolarHBondContact NH2-OD1 3.17Å; R424-D426 IonicContact NH2-OD2 2.87Å; R424-D426 PolarHBondContact NH2-OD2 3.35Å; R424-D426 PolarHBondContact O-N 3.06Å; R424-Q427 HydrophobicContact CB-CB 4.28Å; R424-Q427 HydrophobicContact CB-CG 4.15Å; R424-Q427 PolarHBondContact O-N 3.35Å; R424-L428 PolarHBondContact O-N 3.47Å; R424-L428 VanDerWaalsContact O-N 3.13Å
425K75.1Confident75.7Confident142 Ų14281.1 Ų81.162%0.61739%0.389SS*.Hα-helixtrans-59.8-41.8176.4-172.1-178175.4-1740112.3F413 Q427 L428 E429F413-K425 HydrophobicContact CD1-CB 4.05Å; F413-K425 HydrophobicContact CD1-CG 4.45Å; F413-K425 VanDerWaalsContact CD2-N 3.32Å; F413-K425 HydrophobicContact CE1-CB 3.71Å; F413-K425 HydrophobicContact CE1-CG 4.22Å; F413-K425 HydrophobicContact CE2-CB 4.33Å; F413-K425 VanDerWaalsContact CE2-N 3.32Å; F413-K425 HydrophobicContact CZ-CB 3.85Å; K425-Q427 VanDerWaalsContact C-N 3.35Å; K425-Q427 PolarHBondContact O-N 3.06Å; K425-L428 PolarHBondContact O-N 3.26Å; K425-E429 WeakPolarHBondContact O-CB 3.2Å; K425-E429 PolarHBondContact O-N 3.02Å
426D76.3Confident74.9Confident81 Ų8183.8 Ų83.843%0.43341%0.405SS..Hα-helixtrans-69.4-30.7-179.168.6-51000112.9R424 Y430R424-D426 WeakPolarHBondContact CB-OD1 3.32Å; R424-D426 IonicContact CZ-OD1 3.45Å; R424-D426 IonicContact CZ-OD2 3.56Å; R424-D426 IonicContact NE-OD1 3.54Å; R424-D426 PolarHBondContact NE-OD1 3.13Å; R424-D426 IonicContact NE-OD2 3.51Å; R424-D426 IonicContact NH2-OD1 3.9Å; R424-D426 PolarHBondContact NH2-OD1 3.17Å; R424-D426 IonicContact NH2-OD2 2.87Å; R424-D426 PolarHBondContact NH2-OD2 3.35Å; R424-D426 PolarHBondContact O-N 3.06Å; D426-Y430 VanDerWaalsContact O-CB 3.23Å; D426-Y430 WeakPolarHBondContact O-CB 3.49Å; D426-Y430 PolarHBondContact O-N 2.87Å
427Q78.7Confident74.2Confident80 Ų8080 Ų8037%0.37440%0.395SS..Hα-helixtrans-70.5-40.8171-71.7-177-23.200112Y422 R424 K425 H431Y422-Q427 HydrophobicContact CD1-CB 3.86Å; Y422-Q427 HydrophobicContact CG-CB 4.35Å; R424-Q427 HydrophobicContact CB-CB 4.28Å; R424-Q427 HydrophobicContact CB-CG 4.15Å; R424-Q427 PolarHBondContact O-N 3.35Å; K425-Q427 VanDerWaalsContact C-N 3.35Å; K425-Q427 PolarHBondContact O-N 3.06Å; Q427-H431 WeakPolarHBondContact O-CB 3.47Å; Q427-H431 PolarHBondContact O-N 2.99Å
428L81.2Confident73.7Confident23 Ų2380.2 Ų80.212%0.1240%0.402CS..Hα-helixtrans-63-43.4172.7172.962.7000111.2F413 C415 Y422 R424 K425 H431 I432F413-L428 HydrophobicContact CB-CB 3.87Å; F413-L428 HydrophobicContact CB-CD2 3.71Å; F413-L428 HydrophobicContact CB-CG 4.37Å; C415-L428 HydrophobicContact CB-CD1 3.8Å; Y422-L428 HydrophobicContact CD2-CB 4.18Å; Y422-L428 HydrophobicContact CD2-CD1 3.95Å; Y422-L428 HydrophobicContact CE2-CD1 4.33Å; Y422-L428 HydrophobicContact CG-CB 4.38Å; R424-L428 PolarHBondContact O-N 3.47Å; R424-L428 VanDerWaalsContact O-N 3.13Å; K425-L428 PolarHBondContact O-N 3.26Å; L428-H431 CarbonylContact O-C 3.24Å; L428-H431 WeakPolarHBondContact O-CB 3.41Å; L428-H431 PolarHBondContact O-N 3.48Å; L428-I432 HydrophobicContact CD1-CD1 3.78Å; L428-I432 HydrophobicContact CD1-CG1 4.01Å; L428-I432 HydrophobicContact CD2-CD1 4.32Å; L428-I432 HydrophobicContact CG-CD1 3.8Å; L428-I432 HydrophobicContact CG-CG1 4.39Å; L428-I432 WeakPolarHBondContact O-CG1 3.43Å; L428-I432 PolarHBondContact O-N 3.33Å
429E78.1Confident73.3Confident87 Ų8781.6 Ų81.641%0.40740%0.402SS..Hα-helixtrans-66.8-44.9-180-164.7-167.813600111.8K425 H431 I432 R433K425-E429 WeakPolarHBondContact O-CB 3.2Å; K425-E429 PolarHBondContact O-N 3.02Å; E429-H431 PolarHBondContact O-N 3.14Å; E429-I432 PolarHBondContact O-N 3.41Å; E429-R433 VanDerWaalsContact O-CG 3.32Å; E429-R433 WeakPolarHBondContact O-CG 3.47Å; E429-R433 PolarHBondContact O-N 2.96Å; E429-R433 IonicContact OE1-CZ 3.15Å; E429-R433 VanDerWaalsContact OE1-CZ 3.32Å; E429-R433 IonicContact OE1-NE 2.83Å; E429-R433 PolarHBondContact OE1-NE 3.09Å; E429-R433 VanDerWaalsContact OE1-NE 3.15Å; E429-R433 IonicContact OE1-NH2 2.66Å; E429-R433 PolarHBondContact OE1-NH2 3.32Å
430Y76.1Confident73.1Confident126 Ų12683.3 Ų83.349%0.49440%0.404SS..Hα-helixtrans-55.8-41.5170-178.2-88000111.1D426 F452D426-Y430 VanDerWaalsContact O-CB 3.23Å; D426-Y430 WeakPolarHBondContact O-CB 3.49Å; D426-Y430 PolarHBondContact O-N 2.87Å; Y430-F452 HydrophobicContact CD1-CE2 4.45Å; Y430-F452 HydrophobicContact CD1-CZ 4.3Å; Y430-F452 AromaticContact CD2-CD1 3.73Å; Y430-F452 HydrophobicContact CD2-CD1 3.73Å; Y430-F452 AromaticContact CD2-CE1 3.6Å; Y430-F452 HydrophobicContact CD2-CE1 3.6Å; Y430-F452 HydrophobicContact CD2-CE2 4.43Å; Y430-F452 HydrophobicContact CD2-CG 4.23Å; Y430-F452 HydrophobicContact CD2-CZ 4.01Å; Y430-F452 HydrophobicContact CE1-CD2 4.23Å; Y430-F452 AromaticContact CE1-CE2 3.91Å; Y430-F452 HydrophobicContact CE1-CE2 3.91Å; Y430-F452 HydrophobicContact CE1-CZ 4.2Å; Y430-F452 HydrophobicContact CE2-CB 4.19Å; Y430-F452 AromaticContact CE2-CD1 3.38Å; Y430-F452 HydrophobicContact CE2-CD1 3.38Å; Y430-F452 AromaticContact CE2-CD2 3.65Å; Y430-F452 HydrophobicContact CE2-CD2 3.65Å; Y430-F452 AromaticContact CE2-CE1 3.64Å; Y430-F452 HydrophobicContact CE2-CE1 3.64Å; Y430-F452 AromaticContact CE2-CE2 3.89Å; Y430-F452 HydrophobicContact CE2-CE2 3.89Å; Y430-F452 AromaticContact CE2-CG 3.41Å; Y430-F452 HydrophobicContact CE2-CG 3.41Å; Y430-F452 VanDerWaalsContact CE2-CG 3.41Å; Y430-F452 AromaticContact CE2-CZ 3.92Å; Y430-F452 HydrophobicContact CE2-CZ 3.92Å; Y430-F452 HydrophobicContact CG-CE1 4.15Å; Y430-F452 HydrophobicContact CG-CZ 4.2Å; Y430-F452 AromaticContact CZ-CD2 3.45Å; Y430-F452 VanDerWaalsContact CZ-CD2 3.45Å; Y430-F452 AromaticContact CZ-CE2 3.59Å; Y430-F452 AromaticContact CZ-CG 3.75Å; Y430-F452 AromaticContact CZ-CZ 4Å; Y430-F452 WeakPolarHBondContact O-CZ 3.47Å; Y430-F452 VanDerWaalsContact OH-CD2 3.24Å; Y430-F452 WeakPolarHBondContact OH-CD2 3.24Å
431H80.7Confident73.1Confident38 Ų3880.8 Ų80.818%0.17639%0.394CS..Hα-helixtrans-67.8-42.3176.6179.647000113.2C415 C418 Y422 Q427 L428 E429 R433 G434 H435C415-H431 VanDerWaalsContact SG-CD2 3.53Å; C418-H431 PolarHBondContact SG-NE2 3.2Å; Y422-H431 HydrophobicContact CE1-CB 4.35Å; Y422-H431 HydrophobicContact CE2-CB 4.1Å; Y422-H431 AromaticContact CE2-CD2 3.43Å; Y422-H431 VanDerWaalsContact CE2-CD2 3.43Å; Y422-H431 WeakPolarHBondContact CE2-CD2 3.39Å; Y422-H431 AromaticContact CE2-CG 3.92Å; Y422-H431 AromaticContact CZ-CD2 3.56Å; Y422-H431 AromaticContact CZ-CG 3.65Å; Y422-H431 PolarHBondContact OH-CD2 2.94Å; Y422-H431 PolarHBondContact OH-NE2 3.32Å; Q427-H431 WeakPolarHBondContact O-CB 3.47Å; Q427-H431 PolarHBondContact O-N 2.99Å; L428-H431 CarbonylContact O-C 3.24Å; L428-H431 WeakPolarHBondContact O-CB 3.41Å; L428-H431 PolarHBondContact O-N 3.48Å; E429-H431 PolarHBondContact O-N 3.14Å; H431-R433 VanDerWaalsContact C-N 3.34Å; H431-R433 PolarHBondContact O-N 2.68Å; H431-G434 WeakPolarHBondContact O-CA 3.37Å; H431-G434 PolarHBondContact O-N 3.03Å; H431-H435 AromaticContact CD2-NE2 3.83Å; H431-H435 AromaticContact CE1-CD2 3.82Å; H431-H435 AromaticContact CE1-NE2 3.13Å; H431-H435 PolarHBondContact CE1-NE2 3.43Å; H431-H435 AromaticContact ND1-NE2 3.99Å; H431-H435 AromaticContact NE2-CD2 3.77Å; H431-H435 AromaticContact NE2-NE2 2.99Å; H431-H435 PolarHBondContact NE2-NE2 3.33Å; H431-H435 PolarHBondContact O-CD2 3.16Å
432I75.5Confident73Confident51 Ų5179.4 Ų79.426%0.26239%0.389SS..Hα-helixtrans-62.6-39.2177.7-74.3171.2000111.6F417 L428 E429 G434 H435 T436F417-I432 HydrophobicContact CD2-CG1 4.35Å; F417-I432 HydrophobicContact CE2-CG1 4.46Å; F417-I432 HydrophobicContact CE2-CG2 3.99Å; L428-I432 HydrophobicContact CD1-CD1 3.78Å; L428-I432 HydrophobicContact CD1-CG1 4.01Å; L428-I432 HydrophobicContact CD2-CD1 4.32Å; L428-I432 HydrophobicContact CG-CD1 3.8Å; L428-I432 HydrophobicContact CG-CG1 4.39Å; L428-I432 WeakPolarHBondContact O-CG1 3.43Å; L428-I432 PolarHBondContact O-N 3.33Å; E429-I432 PolarHBondContact O-N 3.41Å; I432-G434 PolarHBondContact O-N 2.92Å; I432-H435 PolarHBondContact O-N 3.22Å; I432-T436 PolarHBondContact O-N 3.16Å; I432-T436 VanDerWaalsContact O-N 3.17Å
433R73.9Confident73.2Confident128 Ų12877.2 Ų77.248%0.48338%0.38SS..THydrogen-bonded Turntrans-61.1-11.9172.8-70.4170.1-176.8-133.99.5113.7E429 H431 P451 F452E429-R433 VanDerWaalsContact O-CG 3.32Å; E429-R433 WeakPolarHBondContact O-CG 3.47Å; E429-R433 PolarHBondContact O-N 2.96Å; E429-R433 IonicContact OE1-CZ 3.15Å; E429-R433 VanDerWaalsContact OE1-CZ 3.32Å; E429-R433 IonicContact OE1-NE 2.83Å; E429-R433 PolarHBondContact OE1-NE 3.09Å; E429-R433 VanDerWaalsContact OE1-NE 3.15Å; E429-R433 IonicContact OE1-NH2 2.66Å; E429-R433 PolarHBondContact OE1-NH2 3.32Å; H431-R433 VanDerWaalsContact C-N 3.34Å; H431-R433 PolarHBondContact O-N 2.68Å; R433-P451 VanDerWaalsContact O-CB 3.32Å; R433-P451 WeakPolarHBondContact O-CB 3.39Å; R433-F452 HydrophobicContact CB-CE1 3.58Å; R433-F452 HydrophobicContact CB-CZ 3.75Å; R433-F452 HydrophobicContact CG-CE1 4.5Å
434G68.7Low73.4Confident48 Ų4885.2 Ų85.250%0.49542%0.417SS..THydrogen-bonded Turntrans-90.2-16.5169.900000115H431 I432H431-G434 WeakPolarHBondContact O-CA 3.37Å; H431-G434 PolarHBondContact O-N 3.03Å; I432-G434 PolarHBondContact O-N 2.92Å
435H69.6Low73.6Confident71 Ų7187.3 Ų87.333%0.32943%0.432SS..THydrogen-bonded Turntrans-89.8-31.8173.3-70.3-82.2000112.3F417 C418 H431 I432F417-H435 HydrophobicContact CB-CB 4.24Å; F417-H435 HydrophobicContact CD2-CB 4.02Å; F417-H435 HydrophobicContact CG-CB 4.02Å; C418-H435 VanDerWaalsContact SG-CE1 3.58Å; C418-H435 PolarHBondContact SG-NE2 3.22Å; C418-H435 VanDerWaalsContact SG-NE2 3.41Å; H431-H435 AromaticContact CD2-NE2 3.83Å; H431-H435 AromaticContact CE1-CD2 3.82Å; H431-H435 AromaticContact CE1-NE2 3.13Å; H431-H435 PolarHBondContact CE1-NE2 3.43Å; H431-H435 AromaticContact ND1-NE2 3.99Å; H431-H435 AromaticContact NE2-CD2 3.77Å; H431-H435 AromaticContact NE2-NE2 2.99Å; H431-H435 PolarHBondContact NE2-NE2 3.33Å; H431-H435 PolarHBondContact O-CD2 3.16Å; I432-H435 PolarHBondContact O-N 3.22Å
436T64.1Low73.9Confident57 Ų5782.9 Ų82.935%0.3542%0.418SS..SBendtrans-79.4130.8173.255.50000110.6I432 N438I432-T436 PolarHBondContact O-N 3.16Å; I432-T436 VanDerWaalsContact O-N 3.17Å; T436-N438 PolarHBondContact O-N 2.97Å
437D60.3Low73.9Confident128 Ų12881.6 Ų81.668%0.68443%0.425SS*.  trans-664.9176.7-82.9-64.3000115.7K439D437-K439 VanDerWaalsContact C-N 3.33Å; D437-K439 WeakPolarHBondContact O-CG 3.33Å; D437-K439 PolarHBondContact O-N 3.2Å; D437-K439 WeakPolarHBondContact OD1-CE 3.38Å; D437-K439 IonicContact OD1-NZ 2.65Å; D437-K439 PolarHBondContact OD1-NZ 3.36Å
438N59.4Low73.8Confident130 Ų13084.1 Ų84.170%0.69544%0.435SS*.  trans-70.186.4176.1-144.6-26.3000110.1T436 P440T436-N438 PolarHBondContact O-N 2.97Å; N438-P440 WeakPolarHBondContact O-CD 3.5Å
439K67.6Low73.6Confident83 Ų8386.5 Ų86.536%0.36145%0.452SS..  trans-110.270.7-172.2-68.1158.5178.8157.60111.1D437 F441 C449 F450 P451D437-K439 VanDerWaalsContact C-N 3.33Å; D437-K439 WeakPolarHBondContact O-CG 3.33Å; D437-K439 PolarHBondContact O-N 3.2Å; D437-K439 WeakPolarHBondContact OD1-CE 3.38Å; D437-K439 IonicContact OD1-NZ 2.65Å; D437-K439 PolarHBondContact OD1-NZ 3.36Å; K439-F441 PolarHBondContact O-N 2.89Å; K439-C449 HydrophobicContact CB-CB 3.75Å; K439-F450 CarbonylContact C-O 3.58Å; K439-P451 HydrophobicContact CG-CB 4.37Å
440P70.4Confident73.6Confident82 Ų8283.9 Ų83.953%0.53244%0.44SS..  trans-69.7-14.7-168.628.1-36.8000114.8N438N438-P440 WeakPolarHBondContact O-CD 3.5Å
441F74.4Confident73.3Confident71 Ų7179.2 Ų79.231%0.31142%0.424SS..EExtended strand (participates in β ladder)trans-98.992.7-175.9-55.9-75.9000110.9K439 F450 F452 Q453 L456K439-F441 PolarHBondContact O-N 2.89Å; F441-F450 PolarHBondContact N-O 2.76Å; F441-F450 WeakPolarHBondContact O-CB 3.44Å; F441-F450 PolarHBondContact O-N 3.09Å; F441-F452 VanDerWaalsContact CD2-C 3.48Å; F441-Q453 HydrophobicContact CD1-CB 3.75Å; F441-Q453 HydrophobicContact CD1-CG 4.08Å; F441-Q453 HydrophobicContact CD2-CB 4.39Å; F441-Q453 HydrophobicContact CE1-CB 3.73Å; F441-Q453 HydrophobicContact CE1-CG 4.2Å; F441-Q453 HydrophobicContact CE2-CB 4.37Å; F441-Q453 HydrophobicContact CG-CB 4.08Å; F441-Q453 HydrophobicContact CZ-CB 4.05Å; F441-L456 HydrophobicContact CB-CB 4.32Å; F441-L456 HydrophobicContact CB-CD2 3.91Å
442H77.3Confident73.1Confident111 Ų11178.6 Ų78.651%0.51442%0.421SS..EExtended strand (participates in β ladder)trans-87.6146.4177.163.3-91000112.7Q444 K448 L456H442-Q444 PolarHBondContact O-N 2.94Å; H442-K448 CarbonylContact C-O 3.51Å; H442-K448 WeakPolarHBondContact CA-O 3.28Å; H442-L456 WeakPolarHBondContact O-CD2 3.36Å
443C82.3Confident73.2Confident1 Ų181.6 Ų81.61%0.00743%0.434CS..  trans-79.9112169.4-178.70000109.9I445 C446 G447 K448 F450 L456 H459C443-I445 PolarHBondContact O-N 3.28Å; C443-I445 VanDerWaalsContact O-N 3.1Å; C443-C446 PolarHBondContact O-N 2.69Å; C443-G447 WeakPolarHBondContact O-CA 3.47Å; C443-G447 PolarHBondContact O-N 2.95Å; C443-K448 PolarHBondContact N-O 3.48Å; C443-F450 HydrophobicContact CB-CE2 4.13Å; C443-L456 HydrophobicContact CB-CD1 3.66Å; C443-H459 WeakPolarHBondContact CB-NE2 3.48Å; C443-H459 PolarHBondContact SG-NE2 3.47Å
444Q77.1Confident73.5Confident182 Ų18277.9 Ų77.985%0.8544%0.436SS*.THydrogen-bonded Turntrans-64.9-14.1-178.8-151.6167.86.500113.7H442H442-Q444 PolarHBondContact O-N 2.94Å
445I78.8Confident74.1Confident113 Ų11378 Ų7858%0.57943%0.427SS*.THydrogen-bonded Turntrans-96.3-25-178.3-54171.8000112.4C443 L460 H464C443-I445 PolarHBondContact O-N 3.28Å; C443-I445 VanDerWaalsContact O-N 3.1Å; I445-L460 HydrophobicContact CD1-CD2 3.98Å; I445-H464 HydrophobicContact CD1-CB 3.71Å; I445-H464 HydrophobicContact CG2-CB 4.48Å; I445-H464 WeakPolarHBondContact CG2-ND1 3.42Å
446C82.3Confident74.7Confident49 Ų4975.5 Ų75.533%0.33142%0.416SS..THydrogen-bonded Turntrans-140.915.7-179.775.20000115.7C443 K448 H459 H464C443-C446 PolarHBondContact O-N 2.69Å; C446-K448 PolarHBondContact O-N 3.13Å; C446-H459 VanDerWaalsContact SG-CE1 3.56Å; C446-H459 PolarHBondContact SG-NE2 3.36Å; C446-H464 PolarHBondContact SG-NE2 3.26Å; C446-H464 VanDerWaalsContact SG-NE2 3.38Å
447G74.6Confident75.6Confident55 Ų5576 Ų7657%0.56742%0.417SS*.  trans69.1-6.9175.900000116.3C443 C449C443-G447 WeakPolarHBondContact O-CA 3.47Å; C443-G447 PolarHBondContact O-N 2.95Å; G447-C449 PolarHBondContact O-N 3.08Å
448K77.9Confident76.7Confident133 Ų13375.1 Ų75.158%0.57841%0.409SS*.  trans-70.9122.4-171.8-68.5-177-177.6-175.30112.2H442 C443 C446 F450H442-K448 CarbonylContact C-O 3.51Å; H442-K448 WeakPolarHBondContact CA-O 3.28Å; C443-K448 PolarHBondContact N-O 3.48Å; C446-K448 PolarHBondContact O-N 3.13Å; K448-F450 HydrophobicContact CB-CE2 3.82Å; K448-F450 HydrophobicContact CB-CZ 3.99Å; K448-F450 WeakPolarHBondContact O-CD2 3.35Å; K448-F450 WeakPolarHBondContact O-CE2 3.47Å
449C77.4Confident77.8Confident72 Ų7270.2 Ų70.249%0.48638%0.381SS..EExtended strand (participates in β ladder)trans-85.6134.5178.7-58.10000112.2K439 G447K439-C449 HydrophobicContact CB-CB 3.75Å; G447-C449 PolarHBondContact O-N 3.08Å
450F76.9Confident78.6Confident33 Ų3368.1 Ų68.115%0.14537%0.374CS..EExtended strand (participates in β ladder)trans-123.1144.6179.4-61.4-86.3000111K439 F441 C443 K448 F452 T455 L456 H459K439-F450 CarbonylContact C-O 3.58Å; F441-F450 PolarHBondContact N-O 2.76Å; F441-F450 WeakPolarHBondContact O-CB 3.44Å; F441-F450 PolarHBondContact O-N 3.09Å; C443-F450 HydrophobicContact CB-CE2 4.13Å; K448-F450 HydrophobicContact CB-CE2 3.82Å; K448-F450 HydrophobicContact CB-CZ 3.99Å; K448-F450 WeakPolarHBondContact O-CD2 3.35Å; K448-F450 WeakPolarHBondContact O-CE2 3.47Å; F450-F452 PolarHBondContact O-N 3.26Å; F450-T455 HydrophobicContact CD1-CG2 3.69Å; F450-T455 HydrophobicContact CE1-CG2 4.29Å; F450-T455 HydrophobicContact CG-CG2 4.5Å; F450-L456 HydrophobicContact CB-CB 4.3Å; F450-L456 HydrophobicContact CD2-CB 4.01Å; F450-L456 HydrophobicContact CD2-CD1 3.91Å; F450-L456 HydrophobicContact CE2-CD1 4.1Å; F450-L456 HydrophobicContact CG-CB 4.32Å; F450-H459 HydrophobicContact CE1-CB 4.04Å; F450-H459 HydrophobicContact CE2-CB 4.11Å; F450-H459 AromaticContact CE2-CD2 3.31Å; F450-H459 WeakPolarHBondContact CE2-CD2 3.25Å; F450-H459 AromaticContact CE2-CG 3.74Å; F450-H459 AromaticContact CE2-NE2 3.93Å; F450-H459 HydrophobicContact CZ-CB 3.61Å; F450-H459 AromaticContact CZ-CD2 3.4Å; F450-H459 VanDerWaalsContact CZ-CD2 3.4Å; F450-H459 WeakPolarHBondContact CZ-CD2 3.47Å; F450-H459 AromaticContact CZ-CG 3.32Å; F450-H459 AromaticContact CZ-ND1 3.89Å; F450-H459 AromaticContact CZ-NE2 3.98Å
451P70.7Confident79.2Confident27 Ų2773.3 Ų73.318%0.17538%0.383CS..SBendtrans-70.9-17.217626.7-31.8000113.5R433 K439R433-P451 VanDerWaalsContact O-CB 3.32Å; R433-P451 WeakPolarHBondContact O-CB 3.39Å; K439-P451 HydrophobicContact CG-CB 4.37Å
452F76.1Confident79.5Confident25 Ų2576.8 Ų76.811%0.1140%0.398CS..  trans-138.9137.1-177.6-44.3-68.3000113Y430 R433 F441 F450 G454 T455 L456Y430-F452 HydrophobicContact CD1-CE2 4.45Å; Y430-F452 HydrophobicContact CD1-CZ 4.3Å; Y430-F452 AromaticContact CD2-CD1 3.73Å; Y430-F452 HydrophobicContact CD2-CD1 3.73Å; Y430-F452 AromaticContact CD2-CE1 3.6Å; Y430-F452 HydrophobicContact CD2-CE1 3.6Å; Y430-F452 HydrophobicContact CD2-CE2 4.43Å; Y430-F452 HydrophobicContact CD2-CG 4.23Å; Y430-F452 HydrophobicContact CD2-CZ 4.01Å; Y430-F452 HydrophobicContact CE1-CD2 4.23Å; Y430-F452 AromaticContact CE1-CE2 3.91Å; Y430-F452 HydrophobicContact CE1-CE2 3.91Å; Y430-F452 HydrophobicContact CE1-CZ 4.2Å; Y430-F452 HydrophobicContact CE2-CB 4.19Å; Y430-F452 AromaticContact CE2-CD1 3.38Å; Y430-F452 HydrophobicContact CE2-CD1 3.38Å; Y430-F452 AromaticContact CE2-CD2 3.65Å; Y430-F452 HydrophobicContact CE2-CD2 3.65Å; Y430-F452 AromaticContact CE2-CE1 3.64Å; Y430-F452 HydrophobicContact CE2-CE1 3.64Å; Y430-F452 AromaticContact CE2-CE2 3.89Å; Y430-F452 HydrophobicContact CE2-CE2 3.89Å; Y430-F452 AromaticContact CE2-CG 3.41Å; Y430-F452 HydrophobicContact CE2-CG 3.41Å; Y430-F452 VanDerWaalsContact CE2-CG 3.41Å; Y430-F452 AromaticContact CE2-CZ 3.92Å; Y430-F452 HydrophobicContact CE2-CZ 3.92Å; Y430-F452 HydrophobicContact CG-CE1 4.15Å; Y430-F452 HydrophobicContact CG-CZ 4.2Å; Y430-F452 AromaticContact CZ-CD2 3.45Å; Y430-F452 VanDerWaalsContact CZ-CD2 3.45Å; Y430-F452 AromaticContact CZ-CE2 3.59Å; Y430-F452 AromaticContact CZ-CG 3.75Å; Y430-F452 AromaticContact CZ-CZ 4Å; Y430-F452 WeakPolarHBondContact O-CZ 3.47Å; Y430-F452 VanDerWaalsContact OH-CD2 3.24Å; Y430-F452 WeakPolarHBondContact OH-CD2 3.24Å; R433-F452 HydrophobicContact CB-CE1 3.58Å; R433-F452 HydrophobicContact CB-CZ 3.75Å; R433-F452 HydrophobicContact CG-CE1 4.5Å; F441-F452 VanDerWaalsContact CD2-C 3.48Å; F450-F452 PolarHBondContact O-N 3.26Å; F452-G454 PolarHBondContact O-N 2.78Å; F452-T455 WeakPolarHBondContact O-CB 3.38Å; F452-T455 PolarHBondContact O-N 3.34Å; F452-L456 PolarHBondContact O-N 2.97Å
453Q77.7Confident79.4Confident114 Ų11479.1 Ų79.153%0.53341%0.407SS..Hα-helixtrans-57.1-33.1173.1-161.5-178.69.700112.7F441 T455 L456 N457F441-Q453 HydrophobicContact CD1-CB 3.75Å; F441-Q453 HydrophobicContact CD1-CG 4.08Å; F441-Q453 HydrophobicContact CD2-CB 4.39Å; F441-Q453 HydrophobicContact CE1-CB 3.73Å; F441-Q453 HydrophobicContact CE1-CG 4.2Å; F441-Q453 HydrophobicContact CE2-CB 4.37Å; F441-Q453 HydrophobicContact CG-CB 4.08Å; F441-Q453 HydrophobicContact CZ-CB 4.05Å; Q453-T455 VanDerWaalsContact C-N 3.35Å; Q453-T455 PolarHBondContact O-N 3.08Å; Q453-L456 PolarHBondContact O-N 2.82Å; Q453-N457 VanDerWaalsContact O-CB 3.3Å; Q453-N457 WeakPolarHBondContact O-CB 3.31Å; Q453-N457 PolarHBondContact O-N 2.99Å; Q453-N457 PolarHBondContact O-ND2 2.98Å
454G80.6Confident79.2Confident51 Ų5181.8 Ų81.853%0.52642%0.419SS..Hα-helixtrans-64-37.317400000113.3F452 Q458F452-G454 PolarHBondContact O-N 2.78Å; G454-Q458 PolarHBondContact O-N 3.13Å
455T79.9Confident78.8Confident51 Ų5180.1 Ų80.131%0.31341%0.413SS..Hα-helixtrans-73.1-41.9176.2-490000110.9F450 F452 Q453 Q458 H459F450-T455 HydrophobicContact CD1-CG2 3.69Å; F450-T455 HydrophobicContact CE1-CG2 4.29Å; F450-T455 HydrophobicContact CG-CG2 4.5Å; F452-T455 WeakPolarHBondContact O-CB 3.38Å; F452-T455 PolarHBondContact O-N 3.34Å; Q453-T455 VanDerWaalsContact C-N 3.35Å; Q453-T455 PolarHBondContact O-N 3.08Å; T455-Q458 PolarHBondContact O-N 2.81Å; T455-H459 WeakPolarHBondContact O-CB 3.29Å; T455-H459 PolarHBondContact O-N 2.81Å
456L82.9Confident77.5Confident18 Ų1878 Ų789%0.09442%0.418CS..Hα-helixtrans-56.4-48.9170.5170.758.7000111.2F441 H442 C443 F450 F452 Q453 Q458 H459 L460F441-L456 HydrophobicContact CB-CB 4.32Å; F441-L456 HydrophobicContact CB-CD2 3.91Å; H442-L456 WeakPolarHBondContact O-CD2 3.36Å; C443-L456 HydrophobicContact CB-CD1 3.66Å; F450-L456 HydrophobicContact CB-CB 4.3Å; F450-L456 HydrophobicContact CD2-CB 4.01Å; F450-L456 HydrophobicContact CD2-CD1 3.91Å; F450-L456 HydrophobicContact CE2-CD1 4.1Å; F450-L456 HydrophobicContact CG-CB 4.32Å; F452-L456 PolarHBondContact O-N 2.97Å; Q453-L456 PolarHBondContact O-N 2.82Å; L456-Q458 VanDerWaalsContact C-N 3.32Å; L456-Q458 PolarHBondContact O-N 3.01Å; L456-H459 WeakPolarHBondContact O-CB 3.19Å; L456-H459 PolarHBondContact O-N 2.92Å; L456-H459 VanDerWaalsContact O-N 3.11Å; L456-L460 HydrophobicContact CD1-CD1 3.92Å; L456-L460 HydrophobicContact CD1-CG 3.94Å; L456-L460 HydrophobicContact CG-CD1 3.96Å; L456-L460 HydrophobicContact CG-CG 4.44Å; L456-L460 WeakPolarHBondContact O-CG 3.3Å; L456-L460 PolarHBondContact O-N 3.14Å
457N83.1Confident75.5Confident68 Ų6880 Ų8036%0.36444%0.439SS..Hα-helixtrans-62.2-36.7177.7-76.1-20.5000112.6Q453 R461Q453-N457 VanDerWaalsContact O-CB 3.3Å; Q453-N457 WeakPolarHBondContact O-CB 3.31Å; Q453-N457 PolarHBondContact O-N 2.99Å; Q453-N457 PolarHBondContact O-ND2 2.98Å; N457-R461 WeakPolarHBondContact O-CB 3.45Å; N457-R461 VanDerWaalsContact O-CG 3.27Å; N457-R461 WeakPolarHBondContact O-CG 3.49Å; N457-R461 PolarHBondContact O-N 3.04Å; N457-R461 VanDerWaalsContact O-N 3.1Å
458Q83.1Confident73.8Confident109 Ų10982.2 Ų82.251%0.50945%0.446SS..Hα-helixtrans-68.4-40173-165-170.2105.900111.6G454 T455 L456 R461 K462G454-Q458 PolarHBondContact O-N 3.13Å; T455-Q458 PolarHBondContact O-N 2.81Å; L456-Q458 VanDerWaalsContact C-N 3.32Å; L456-Q458 PolarHBondContact O-N 3.01Å; Q458-R461 PolarHBondContact O-N 3.01Å; Q458-K462 HydrophobicContact CG-CD 4.03Å; Q458-K462 HydrophobicContact CG-CG 4.48Å; Q458-K462 WeakPolarHBondContact O-CB 3.37Å; Q458-K462 WeakPolarHBondContact O-CG 3.48Å; Q458-K462 PolarHBondContact O-N 3.45Å
459H83.6Confident72.1Confident26 Ų2685.7 Ų85.712%0.1246%0.464CS..Hα-helixtrans-63.1-48.8176.1159.765.7000111.8C443 C446 F450 T455 L456 R461 K462 K463 H464C443-H459 WeakPolarHBondContact CB-NE2 3.48Å; C443-H459 PolarHBondContact SG-NE2 3.47Å; C446-H459 VanDerWaalsContact SG-CE1 3.56Å; C446-H459 PolarHBondContact SG-NE2 3.36Å; F450-H459 HydrophobicContact CE1-CB 4.04Å; F450-H459 HydrophobicContact CE2-CB 4.11Å; F450-H459 AromaticContact CE2-CD2 3.31Å; F450-H459 WeakPolarHBondContact CE2-CD2 3.25Å; F450-H459 AromaticContact CE2-CG 3.74Å; F450-H459 AromaticContact CE2-NE2 3.93Å; F450-H459 HydrophobicContact CZ-CB 3.61Å; F450-H459 AromaticContact CZ-CD2 3.4Å; F450-H459 VanDerWaalsContact CZ-CD2 3.4Å; F450-H459 WeakPolarHBondContact CZ-CD2 3.47Å; F450-H459 AromaticContact CZ-CG 3.32Å; F450-H459 AromaticContact CZ-ND1 3.89Å; F450-H459 AromaticContact CZ-NE2 3.98Å; T455-H459 WeakPolarHBondContact O-CB 3.29Å; T455-H459 PolarHBondContact O-N 2.81Å; L456-H459 WeakPolarHBondContact O-CB 3.19Å; L456-H459 PolarHBondContact O-N 2.92Å; L456-H459 VanDerWaalsContact O-N 3.11Å; H459-R461 PolarHBondContact O-N 3.4Å; H459-K462 CarbonylContact O-C 3.6Å; H459-K462 PolarHBondContact O-N 3.33Å; H459-K463 WeakPolarHBondContact O-CB 3.29Å; H459-K463 PolarHBondContact O-N 2.85Å; H459-H464 AromaticContact CE1-CD2 3.73Å; H459-H464 AromaticContact CE1-NE2 3.33Å; H459-H464 PolarHBondContact CE1-NE2 3.04Å; H459-H464 VanDerWaalsContact CE1-NE2 3.33Å; H459-H464 AromaticContact NE2-CD2 3.54Å; H459-H464 AromaticContact NE2-NE2 3.33Å; H459-H464 PolarHBondContact NE2-NE2 2.83Å
460L82.5Confident70.2Confident39 Ų3986 Ų8620%0.20447%0.472CS..Hα-helixtrans-53.8-50.5173.8-71.5167.7000110.8I445 L456 K462 K463 H464 M465I445-L460 HydrophobicContact CD1-CD2 3.98Å; L456-L460 HydrophobicContact CD1-CD1 3.92Å; L456-L460 HydrophobicContact CD1-CG 3.94Å; L456-L460 HydrophobicContact CG-CD1 3.96Å; L456-L460 HydrophobicContact CG-CG 4.44Å; L456-L460 WeakPolarHBondContact O-CG 3.3Å; L456-L460 PolarHBondContact O-N 3.14Å; L460-K462 VanDerWaalsContact C-N 3.27Å; L460-K462 PolarHBondContact O-N 3.33Å; L460-K463 PolarHBondContact O-N 3.24Å; L460-H464 HydrophobicContact CD2-CB 4.31Å; L460-H464 CarbonylContact O-C 3.6Å; L460-H464 WeakPolarHBondContact O-CA 3.42Å; L460-H464 PolarHBondContact O-N 3.23Å; L460-M465 PolarHBondContact O-N 3.26Å
461R84.1Confident68.1Low191 Ų19190 Ų9072%0.72150%0.504SS*.Hα-helixtrans-61.6-27.9176.4-71.5179.2-163-173.45.5114.9N457 Q458 H459 M465N457-R461 WeakPolarHBondContact O-CB 3.45Å; N457-R461 VanDerWaalsContact O-CG 3.27Å; N457-R461 WeakPolarHBondContact O-CG 3.49Å; N457-R461 PolarHBondContact O-N 3.04Å; N457-R461 VanDerWaalsContact O-N 3.1Å; Q458-R461 PolarHBondContact O-N 3.01Å; H459-R461 PolarHBondContact O-N 3.4Å; R461-M465 HydrophobicContact CG-CG 4.39Å
462K80.6Confident66.4Low144 Ų14496.1 Ų96.163%0.62654%0.535SS*.Hα-helixtrans-97.2-14.5-177.2-75.8-178.5173.8178.70114.7Q458 H459 L460Q458-K462 HydrophobicContact CG-CD 4.03Å; Q458-K462 HydrophobicContact CG-CG 4.48Å; Q458-K462 WeakPolarHBondContact O-CB 3.37Å; Q458-K462 WeakPolarHBondContact O-CG 3.48Å; Q458-K462 PolarHBondContact O-N 3.45Å; H459-K462 CarbonylContact O-C 3.6Å; H459-K462 PolarHBondContact O-N 3.33Å; L460-K462 VanDerWaalsContact C-N 3.27Å; L460-K462 PolarHBondContact O-N 3.33Å
463K75.8Confident64.3Low161 Ų161103.4 Ų103.470%0.757%0.569SS**Hα-helixtrans-134.5-15.3-172.4-69.7-63.1-176.2-177.10115.4H459 L460H459-K463 WeakPolarHBondContact O-CB 3.29Å; H459-K463 PolarHBondContact O-N 2.85Å; L460-K463 PolarHBondContact O-N 3.24Å
464H76.9Confident62.1Low57 Ų57103 Ų10326%0.26458%0.575SS.*THydrogen-bonded Turntrans-136.1-9.9-173.5-58.9-63000114.7I445 C446 H459 L460 G466I445-H464 HydrophobicContact CD1-CB 3.71Å; I445-H464 HydrophobicContact CG2-CB 4.48Å; I445-H464 WeakPolarHBondContact CG2-ND1 3.42Å; C446-H464 PolarHBondContact SG-NE2 3.26Å; C446-H464 VanDerWaalsContact SG-NE2 3.38Å; H459-H464 AromaticContact CE1-CD2 3.73Å; H459-H464 AromaticContact CE1-NE2 3.33Å; H459-H464 PolarHBondContact CE1-NE2 3.04Å; H459-H464 VanDerWaalsContact CE1-NE2 3.33Å; H459-H464 AromaticContact NE2-CD2 3.54Å; H459-H464 AromaticContact NE2-NE2 3.33Å; H459-H464 PolarHBondContact NE2-NE2 2.83Å; L460-H464 HydrophobicContact CD2-CB 4.31Å; L460-H464 CarbonylContact O-C 3.6Å; L460-H464 WeakPolarHBondContact O-CA 3.42Å; L460-H464 PolarHBondContact O-N 3.23Å; H464-G466 PolarHBondContact O-N 2.88Å
465M68.9Low59.6Low146 Ų146107.1 Ų107.172%0.71959%0.585SS**  trans-82.896.4174.4-81.2-73.316900111.4L460 R461L460-M465 PolarHBondContact O-N 3.26Å; R461-M465 HydrophobicContact CG-CG 4.39Å
466G51Low57.2Low68 Ų68109.7 Ų109.770%0.70161%0.605SS**SBendtrans-152.262.217400000110.7H464H464-G466 PolarHBondContact O-N 2.88Å
467A41.1Very low55.5Low93 Ų93114.5 Ų114.577%0.76964%0.637SS**SBendtrans65.4151.1-162.800000113.5
468S39.1Very low52.9Low101 Ų101120.9 Ų120.971%0.70667%0.665SS**  cis-151154.6-14.139.80000109.8
469E42.6Very low50.3Low205 Ų205125.9 Ų125.996%0.95868%0.679SS**  trans-89.9111.3148.9-75.9-176.3159.500106.9
470A36.1Very low47.8Very low80 Ų80130.4 Ų130.466%0.66171%0.709SS**  trans-150.8117.7175.800000111.2
471S34.3Very low45.2Very low117 Ų117136.1 Ų136.182%0.81873%0.734SS**  trans34.4137.9160.1-152.90000121.3H473S471-H473 PolarHBondContact O-N 2.57Å
472N35.2Very low42.4Very low154 Ų154133.7 Ų133.782%0.82474%0.736SS**  trans-58.2129.3149.9-49.1-65.4000109.7
473H31.4Very low40Very low179 Ų179131 Ų13183%0.82974%0.735SS**  trans-156163.9139.4-144.3-84.4000110.4S471S471-H473 PolarHBondContact O-N 2.57Å
474T31Very low37.7Very low106 Ų106129.1 Ų129.165%0.6574%0.742SS**  trans-84.9162.1-174.351.90000115
475D29.3Very low35.4Very low137 Ų137129.8 Ų129.873%0.73376%0.764SS**  trans78.9111.7151.7-93.9-60.3000122.2
476S29.7Very low33.7Very low104 Ų104130.6 Ų130.673%0.72777%0.766SS**  64.5149.9123.5-63.50000122.3
477P47Very low32.6Very low120 Ų120135.2 Ų135.278%0.77977%0.767SS**  trans-109161.1-172.840.9-33.1000114.4
478E28.1Very low32.1Very low202 Ų202135.4 Ų135.494%0.94476%0.755SS**  trans-127.5156.8157.5-75-160.4113.300112.2
479R28.9Very low31.8Very low214 Ų214138.6 Ų138.681%0.80876%0.759SS**  trans-106.5157.8176.9-61.5174172.4-175-1.5110.4
480T30.4Very low31.1Very low121 Ų121132.1 Ų132.174%0.74275%0.747SS**  166.7132.913031.60000107.5
481E27.9Very low30.7Very low158 Ų158135.7 Ų135.774%0.73876%0.755SS**  67129.470.1-66.2168.5-146.800112
482D25.7Very low30.6Very low141 Ų141136.4 Ų136.475%0.75476%0.755SS**  cis-163.6166.6-2.3-168.524.4000114
483S29.2Very low31.4Very low88 Ų88134.7 Ų134.762%0.61575%0.752SS**  trans67.9138.8142.1-880000126.4
484S28.7Very low31.4Very low120 Ų120135.3 Ų135.384%0.83976%0.755SS**  trans69.8144.5157.575.30000118.7
485G27.6Very low31.4Very low71 Ų71133.5 Ų133.573%0.73276%0.757SS**  cis162.4164.5-3.200000110.2
486Q32.8Very low31.5Very low164 Ų164135.8 Ų135.877%0.76677%0.766SS**  cis-157.1172-3.9-51.81808.600109.8
487K29.1Very low31.6Very low165 Ų165134.7 Ų134.772%0.71776%0.763SS**  trans70.3152.1151.9-76.4168.7158.9-87.90119.5
488D30.6Very low30.8Very low96 Ų96139 Ų13951%0.51377%0.765SS.*  cis-151.3154.10.8-129.7-45.8000112.6
489Q33Very low31Very low169 Ų169137.3 Ų137.379%0.7976%0.758SS**  trans47.1147.1162.5-72.7143.465.800120.8
490G27.1Very low31.1Very low68 Ų68131.4 Ų131.470%0.70176%0.755SS**  cis170.1164.4-0.800000108
491D28.8Very low31.1Very low156 Ų156134.4 Ų134.483%0.83476%0.76SS**  cis-151.5179.2-3.8-109.2-49.3000110.8
492T31.2Very low31.2Very low132 Ų132138 Ų13881%0.8177%0.768SS**  trans-88.5166-159.739.10000119
493P52.5Low31.4Very low117 Ų117136 Ų13676%0.7677%0.772SS**  trans-104175.9178.141.7-36.4000115.2
494E31.1Very low31.6Very low193 Ų193140.7 Ų140.790%0.90278%0.784SS**  trans-123.9157.9165-59.2-176.9128.900108.7
495G29.9Very low31.7Very low68 Ų68144.3 Ų144.370%0.70179%0.788SS**  cis99132.919.800000110.4
496M32.2Very low32.1Very low184 Ų184145.1 Ų145.191%0.90679%0.788SS**  cis-150.6138.4-5.8-76.2-171.1176.300107.4
497A31Very low33.1Very low82 Ų82143.4 Ų143.468%0.67879%0.791SS**  78.6153.793.900000117.6
498Y32Very low33.3Very low210 Ų210140.1 Ų140.182%0.82479%0.794SS**  trans54.2154.3163.491.3-74.2000119.2
499E30.6Very low33.5Very low167 Ų167141.9 Ų141.978%0.7880%0.803SS**  cis-155.5136-12.8-116.4167.3177.100106.9
500A31.8Very low33.6Very low90 Ų90141.8 Ų141.874%0.74480%0.803SS**  84.515892.200000118.3
501Q30.3Very low34.2Very low184 Ų184146.9 Ų146.986%0.8681%0.811SS**  trans83.9107166.5-56.3-1712.200121.7
502Y29.9Very low34.9Very low232 Ų232152.4 Ų152.491%0.9183%0.832SS**  27.3127.3127.4-84.1-92.9000122.4
503A31.1Very low35Very low101 Ų101153.5 Ų153.584%0.83583%0.833SS**  -155.8151.9129.400000110.3
504E32.7Very low34.1Very low185 Ų185155.4 Ų155.486%0.86484%0.837SS**  trans-91.7151.6163.7-67.1-175.610400109.9
505E31.2Very low34.3Very low197 Ų197153.3 Ų153.392%0.92183%0.833SS**  173.7165.3116.1-95-174.9178.800111.9
506A34.3Very low34.5Very low88 Ų88158.3 Ų158.373%0.72784%0.841SS**  trans-154.7-17817500000107.6
507P55.6Low34.7Very low128 Ų128156.7 Ų156.783%0.83184%0.837SS**  cis-128.9166.4-17.539.3-24.7000113.9
508A33Very low34.9Very low95 Ų95161.7 Ų161.779%0.78585%0.847SS**  trans-155.6130.5149.400000107.5
509N34.5Very low35.2Very low133 Ų133158.2 Ų158.271%0.71185%0.849SS**  cis94.8133.242.6-144.458.4000112.5
510E33.9Very low35.5Very low167 Ų167157.5 Ų157.578%0.7885%0.854SS**  trans64.1163.1174.1-69.5153.2-11200118.7
511M40.7Very low35.8Very low175 Ų175163.2 Ų163.286%0.86286%0.864SS**  cis178.7103.4-41.8175.4168.7-17200108.1
512E42.5Very low36.3Very low273 Ų273161.3 Ų161.3100%1.27686%0.864SS**  trans-1600158.9-113.4179.9179.100110.1

Retrieved 512 of 512 residues in 65.2 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).