A0A077Z4W9_TRITR Loading...

Glutamate decarboxylase 1

AlphaFold DB , UniProt , Accession A0A077Z4W9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 462 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
1M61.7Low81.6Confident88 Ų88102.9 Ų102.943%0.43352%0.521SS..  01480-64.8-66.4-104.100108L3 N4 T11 F14 L60M1-L3 PolarHBondContact O-N 3.26Å; M1-N4 PolarHBondContact O-N 2.93Å; M1-T11 VanDerWaalsContact CA-OG1 3.25Å; M1-T11 WeakPolarHBondContact CA-OG1 3.38Å; M1-F14 HydrophobicContact CE-CB 4.47Å; M1-F14 HydrophobicContact CE-CD1 3.31Å; M1-F14 HydrophobicContact CE-CE1 3.53Å; M1-F14 HydrophobicContact CE-CG 3.87Å; M1-F14 HydrophobicContact CE-CZ 4.26Å; M1-F14 HydrophobicContact SD-CB 4.3Å; M1-F14 HydrophobicContact SD-CD1 4.14Å; M1-F14 HydrophobicContact SD-CG 4.32Å; M1-L60 HydrophobicContact CE-CD2 4.03Å; M1-L60 HydrophobicContact CG-CD2 4.39Å; M1-L60 HydrophobicContact SD-CD1 4.5Å; M1-L60 HydrophobicContact SD-CD2 4.36Å
2P60.6Low82.7Confident91 Ų9199.7 Ų99.759%0.59150%0.503SS*.THydrogen-bonded Turntrans-63.6-7.2-146.621.3-30.9000116.6N4 T11P2-N4 PolarHBondContact O-N 3.33Å; P2-T11 HydrophobicContact CB-CG2 4.19Å; P2-T11 WeakPolarHBondContact CD-OG1 3.37Å; P2-T11 HydrophobicContact CG-CG2 3.92Å
3L71.2Confident83.7Confident181 Ų181101.5 Ų101.595%0.94851%0.505SS*.THydrogen-bonded Turntrans-64.7-22167.3-62.2172.1000112.7M1M1-L3 PolarHBondContact O-N 3.26Å
4N79Confident84.6Confident108 Ų10896.6 Ų96.658%0.57848%0.479SS*.SBendtrans-93.9115.8168.8-174.6-12.4000109.3M1 P2 G6 G7M1-N4 PolarHBondContact O-N 2.93Å; P2-N4 PolarHBondContact O-N 3.33Å; N4-G6 PolarHBondContact O-N 3.06Å; N4-G6 PolarHBondContact OD1-N 3.43Å; N4-G6 VanDerWaalsContact OD1-N 3.1Å; N4-G7 PolarHBondContact O-N 3.06Å
5R80.3Confident85.3Confident255 Ų25596.1 Ų96.196%0.96248%0.479SS*.THydrogen-bonded Turntrans-54.3-26.8180-68.3-175.6179.8-178.2-0.1113.6
6G87.1Confident86.1Confident65 Ų6596.9 Ų96.967%0.6748%0.478SS*.THydrogen-bonded Turntrans-89.4-7.5176.200000115.2N4 W8N4-G6 PolarHBondContact O-N 3.06Å; N4-G6 PolarHBondContact OD1-N 3.43Å; N4-G6 VanDerWaalsContact OD1-N 3.1Å; G6-W8 PolarHBondContact O-N 3.21Å
7G88.7Confident86.8Confident5 Ų592.6 Ų92.65%0.05246%0.462CS..  trans-92.524.9-169.800000115.2N4 E10 T11N4-G7 PolarHBondContact O-N 3.06Å; G7-E10 WeakPolarHBondContact CA-OE2 3.3Å; G7-T11 WeakPolarHBondContact O-CB 3.42Å; G7-T11 PolarHBondContact O-N 2.64Å; G7-T11 VanDerWaalsContact O-N 3.16Å; G7-T11 PolarHBondContact O-OG1 3.32Å
8W91.8Very high87.4Confident165 Ų16589.1 Ų89.163%0.62545%0.446SS*.Hα-helixtrans-64.2-45.5-177.4174.6-104000112G6 E10 T11 E12G6-W8 PolarHBondContact O-N 3.21Å; W8-E10 VanDerWaalsContact C-N 3.33Å; W8-E10 PolarHBondContact O-N 2.65Å; W8-T11 WeakPolarHBondContact O-CA 3.24Å; W8-T11 WeakPolarHBondContact O-CB 3.46Å; W8-T11 PolarHBondContact O-N 3.16Å; W8-E12 HydrophobicContact CZ2-CB 4.43Å; W8-E12 PolarHBondContact NE1-OE2 3.46Å; W8-E12 VanDerWaalsContact NE1-OE2 3.14Å; W8-E12 PolarHBondContact O-N 3Å
9N92.2Very high88Confident78 Ų7888.3 Ų88.342%0.41744%0.442SS..Hα-helixtrans-58.8-44.3-177.5-17329.4000112T11 E12 K13N9-T11 VanDerWaalsContact C-N 3.33Å; N9-E12 PolarHBondContact O-N 3.01Å; N9-K13 PolarHBondContact ND2-NZ 3.03Å; N9-K13 WeakPolarHBondContact O-CB 3.39Å; N9-K13 VanDerWaalsContact O-CG 3.26Å; N9-K13 WeakPolarHBondContact O-CG 3.45Å; N9-K13 PolarHBondContact O-N 3.49Å; N9-K13 VanDerWaalsContact OD1-CE 3.27Å; N9-K13 WeakPolarHBondContact OD1-CE 3.3Å
10E92.2Very high88.5Confident90 Ų9090.7 Ų90.742%0.42145%0.452SS..Hα-helixtrans-67.4-37.2177.2-65.267.3-146.800111.3G7 W8 F14G7-E10 WeakPolarHBondContact CA-OE2 3.3Å; W8-E10 VanDerWaalsContact C-N 3.33Å; W8-E10 PolarHBondContact O-N 2.65Å; E10-F14 VanDerWaalsContact O-CB 3.32Å; E10-F14 WeakPolarHBondContact O-CB 3.33Å; E10-F14 PolarHBondContact O-N 3.42Å
11T93.5Very high89Confident6 Ų688 Ų884%0.03744%0.439CS..Hα-helixtrans-63.9-48.8176.3-56.40000110.8M1 P2 G7 W8 N9 F14 L15M1-T11 VanDerWaalsContact CA-OG1 3.25Å; M1-T11 WeakPolarHBondContact CA-OG1 3.38Å; P2-T11 HydrophobicContact CB-CG2 4.19Å; P2-T11 WeakPolarHBondContact CD-OG1 3.37Å; P2-T11 HydrophobicContact CG-CG2 3.92Å; G7-T11 WeakPolarHBondContact O-CB 3.42Å; G7-T11 PolarHBondContact O-N 2.64Å; G7-T11 VanDerWaalsContact O-N 3.16Å; G7-T11 PolarHBondContact O-OG1 3.32Å; W8-T11 WeakPolarHBondContact O-CA 3.24Å; W8-T11 WeakPolarHBondContact O-CB 3.46Å; W8-T11 PolarHBondContact O-N 3.16Å; N9-T11 VanDerWaalsContact C-N 3.33Å; T11-F14 PolarHBondContact O-N 3.24Å; T11-L15 HydrophobicContact CG2-CD1 4.05Å; T11-L15 WeakPolarHBondContact O-CG 3.34Å; T11-L15 PolarHBondContact O-N 3.3Å
12E94.4Very high90.7Very high64 Ų6486 Ų8630%0.29943%0.43SS..Hα-helixtrans-62.3-46.1178.9-176.1-179.9174.700111.4W8 N9 F14 L15 K16W8-E12 HydrophobicContact CZ2-CB 4.43Å; W8-E12 PolarHBondContact NE1-OE2 3.46Å; W8-E12 VanDerWaalsContact NE1-OE2 3.14Å; W8-E12 PolarHBondContact O-N 3Å; N9-E12 PolarHBondContact O-N 3.01Å; E12-F14 PolarHBondContact O-N 2.99Å; E12-L15 PolarHBondContact O-N 2.92Å; E12-K16 HydrophobicContact CG-CD 4.21Å; E12-K16 WeakPolarHBondContact O-CB 3.23Å; E12-K16 WeakPolarHBondContact O-CG 3.24Å; E12-K16 PolarHBondContact O-N 3.44Å; E12-K16 WeakPolarHBondContact OE1-CE 3.36Å; E12-K16 IonicContact OE1-NZ 2.72Å; E12-K16 PolarHBondContact OE1-NZ 3.03Å
13K95.4Very high92.5Very high124 Ų12486.3 Ų86.354%0.53943%0.426SS..Hα-helixtrans-58.8-46.3176.4-76.6172179.3171.30112N9 A17N9-K13 PolarHBondContact ND2-NZ 3.03Å; N9-K13 WeakPolarHBondContact O-CB 3.39Å; N9-K13 VanDerWaalsContact O-CG 3.26Å; N9-K13 WeakPolarHBondContact O-CG 3.45Å; N9-K13 PolarHBondContact O-N 3.49Å; N9-K13 VanDerWaalsContact OD1-CE 3.27Å; N9-K13 WeakPolarHBondContact OD1-CE 3.3Å; K13-A17 WeakPolarHBondContact O-CB 3.45Å; K13-A17 PolarHBondContact O-N 3.19Å
14F95.9Very high93.7Very high32 Ų3285.1 Ų85.114%0.1441%0.413CS..Hα-helixtrans-62.1-49.3178.6175.3-101.7000111.7M1 E10 T11 E12 K16 A17 V18 L60 L63 L64M1-F14 HydrophobicContact CE-CB 4.47Å; M1-F14 HydrophobicContact CE-CD1 3.31Å; M1-F14 HydrophobicContact CE-CE1 3.53Å; M1-F14 HydrophobicContact CE-CG 3.87Å; M1-F14 HydrophobicContact CE-CZ 4.26Å; M1-F14 HydrophobicContact SD-CB 4.3Å; M1-F14 HydrophobicContact SD-CD1 4.14Å; M1-F14 HydrophobicContact SD-CG 4.32Å; E10-F14 VanDerWaalsContact O-CB 3.32Å; E10-F14 WeakPolarHBondContact O-CB 3.33Å; E10-F14 PolarHBondContact O-N 3.42Å; T11-F14 PolarHBondContact O-N 3.24Å; E12-F14 PolarHBondContact O-N 2.99Å; F14-K16 PolarHBondContact O-N 3.45Å; F14-A17 PolarHBondContact O-N 2.75Å; F14-V18 HydrophobicContact CD1-CG2 4.39Å; F14-V18 HydrophobicContact CE1-CG2 3.96Å; F14-V18 HydrophobicContact CE2-CG2 4.2Å; F14-V18 HydrophobicContact CZ-CG2 3.86Å; F14-V18 WeakPolarHBondContact O-CG2 3.3Å; F14-V18 PolarHBondContact O-N 2.92Å; F14-L60 HydrophobicContact CB-CD1 4.37Å; F14-L60 HydrophobicContact CD2-CB 4.12Å; F14-L60 HydrophobicContact CD2-CD1 4.39Å; F14-L60 HydrophobicContact CD2-CD2 3.96Å; F14-L60 HydrophobicContact CD2-CG 4.38Å; F14-L60 HydrophobicContact CE2-CD2 4.12Å; F14-L60 HydrophobicContact CG-CD2 4.43Å; F14-L63 HydrophobicContact CE2-CB 4.36Å; F14-L64 HydrophobicContact CD2-CD1 4.43Å; F14-L64 HydrophobicContact CD2-CD2 3.99Å; F14-L64 HydrophobicContact CD2-CG 4.08Å; F14-L64 HydrophobicContact CE2-CD2 3.83Å; F14-L64 HydrophobicContact CE2-CG 3.94Å
15L96.1Very high94.5Very high89 Ų8981.9 Ų81.947%0.46640%0.395SS..Hα-helixtrans-63.6-39.8-179.7-70.4174.6000112.3T11 E12 V18 I19T11-L15 HydrophobicContact CG2-CD1 4.05Å; T11-L15 WeakPolarHBondContact O-CG 3.34Å; T11-L15 PolarHBondContact O-N 3.3Å; E12-L15 PolarHBondContact O-N 2.92Å; L15-V18 PolarHBondContact O-N 3.26Å; L15-I19 VanDerWaalsContact O-CG1 3.28Å; L15-I19 WeakPolarHBondContact O-CG1 3.4Å; L15-I19 PolarHBondContact O-N 3.17Å
16K97.7Very high95.2Very high110 Ų11070.8 Ų70.848%0.47835%0.354SS..Hα-helixtrans-60.9-44.5173.9-75.7-179.9-178.3173.50111.9E12 F14 V18 I19 E20E12-K16 HydrophobicContact CG-CD 4.21Å; E12-K16 WeakPolarHBondContact O-CB 3.23Å; E12-K16 WeakPolarHBondContact O-CG 3.24Å; E12-K16 PolarHBondContact O-N 3.44Å; E12-K16 WeakPolarHBondContact OE1-CE 3.36Å; E12-K16 IonicContact OE1-NZ 2.72Å; E12-K16 PolarHBondContact OE1-NZ 3.03Å; F14-K16 PolarHBondContact O-N 3.45Å; K16-V18 VanDerWaalsContact C-N 3.32Å; K16-V18 PolarHBondContact O-N 2.99Å; K16-I19 PolarHBondContact O-N 3.11Å; K16-I19 VanDerWaalsContact O-N 3.15Å; K16-E20 WeakPolarHBondContact O-CG 3.42Å; K16-E20 PolarHBondContact O-N 3.45Å
17A98.2Very high95.7Very high24 Ų2475.9 Ų75.920%0.19836%0.358CS..Hα-helixtrans-62.6-38.9176.800000112.2K13 F14 E20 I21 L64K13-A17 WeakPolarHBondContact O-CB 3.45Å; K13-A17 PolarHBondContact O-N 3.19Å; F14-A17 PolarHBondContact O-N 2.75Å; A17-E20 PolarHBondContact O-N 3.24Å; A17-I21 WeakPolarHBondContact O-CG1 3.46Å; A17-I21 PolarHBondContact O-N 2.99Å; A17-L64 HydrophobicContact CB-CD1 3.74Å; A17-L64 HydrophobicContact CB-CD2 3.74Å; A17-L64 HydrophobicContact CB-CG 4.42Å
18V98.2Very high96Very high29 Ų2979 Ų7918%0.17637%0.373CS..Hα-helixtrans-61-49.2171.4173.90000110.4F14 L15 K16 E20 I21 L22 L64F14-V18 HydrophobicContact CD1-CG2 4.39Å; F14-V18 HydrophobicContact CE1-CG2 3.96Å; F14-V18 HydrophobicContact CE2-CG2 4.2Å; F14-V18 HydrophobicContact CZ-CG2 3.86Å; F14-V18 WeakPolarHBondContact O-CG2 3.3Å; F14-V18 PolarHBondContact O-N 2.92Å; L15-V18 PolarHBondContact O-N 3.26Å; K16-V18 VanDerWaalsContact C-N 3.32Å; K16-V18 PolarHBondContact O-N 2.99Å; V18-E20 VanDerWaalsContact C-N 3.29Å; V18-E20 PolarHBondContact O-N 3.37Å; V18-I21 WeakPolarHBondContact O-CB 3.31Å; V18-I21 PolarHBondContact O-N 3.43Å; V18-L22 HydrophobicContact CG1-CD1 4.28Å; V18-L22 HydrophobicContact CG1-CG 4.31Å; V18-L22 WeakPolarHBondContact O-CG 3.4Å; V18-L22 PolarHBondContact O-N 3.42Å; V18-L64 HydrophobicContact CG2-CD2 3.61Å
19I98Very high96.1Very high73 Ų7371.2 Ų71.237%0.37434%0.344SS..Hα-helixtrans-57.9-40.9179.5-69.3165.4000111.4L15 K16 I21 L22 L23L15-I19 VanDerWaalsContact O-CG1 3.28Å; L15-I19 WeakPolarHBondContact O-CG1 3.4Å; L15-I19 PolarHBondContact O-N 3.17Å; K16-I19 PolarHBondContact O-N 3.11Å; K16-I19 VanDerWaalsContact O-N 3.15Å; I19-I21 VanDerWaalsContact C-N 3.33Å; I19-I21 PolarHBondContact O-N 3.08Å; I19-L22 PolarHBondContact O-N 3.21Å; I19-L23 HydrophobicContact CG2-CD1 3.91Å; I19-L23 HydrophobicContact CG2-CG 4.14Å; I19-L23 WeakPolarHBondContact O-CG 3.42Å; I19-L23 PolarHBondContact O-N 3.14Å
20E98.4Very high96.1Very high137 Ų13771.1 Ų71.164%0.6434%0.343SS*.Hα-helixtrans-59.9-41.8175.6-73.7176.2-173.400112.4K16 A17 V18 L23 K24K16-E20 WeakPolarHBondContact O-CG 3.42Å; K16-E20 PolarHBondContact O-N 3.45Å; A17-E20 PolarHBondContact O-N 3.24Å; V18-E20 VanDerWaalsContact C-N 3.29Å; V18-E20 PolarHBondContact O-N 3.37Å; E20-L23 PolarHBondContact O-N 3.37Å; E20-K24 WeakPolarHBondContact O-CB 3.49Å; E20-K24 PolarHBondContact O-N 3.42Å
21I98.4Very high96.2Very high33 Ų3370 Ų7017%0.16934%0.34CS..Hα-helixtrans-61.3-45.3174-65165.6000110.3A17 V18 I19 K24 H25 L64 C67 L71A17-I21 WeakPolarHBondContact O-CG1 3.46Å; A17-I21 PolarHBondContact O-N 2.99Å; V18-I21 WeakPolarHBondContact O-CB 3.31Å; V18-I21 PolarHBondContact O-N 3.43Å; I19-I21 VanDerWaalsContact C-N 3.33Å; I19-I21 PolarHBondContact O-N 3.08Å; I21-K24 PolarHBondContact O-N 3.43Å; I21-H25 PolarHBondContact O-N 3.31Å; I21-H25 VanDerWaalsContact O-N 3.08Å; I21-L64 HydrophobicContact CD1-CB 4.33Å; I21-L64 HydrophobicContact CD1-CD2 4.1Å; I21-L64 WeakPolarHBondContact CD1-O 3.39Å; I21-C67 HydrophobicContact CD1-CB 4.36Å; I21-L71 HydrophobicContact CG2-CD1 4.01Å
22L97.7Very high96.3Very high47 Ų4771.7 Ų71.725%0.24635%0.352CS..Hα-helixtrans-62.2-47.3178.6-59.2-177.1000111.5V18 I19 K24 H25 I26 L71 W99V18-L22 HydrophobicContact CG1-CD1 4.28Å; V18-L22 HydrophobicContact CG1-CG 4.31Å; V18-L22 WeakPolarHBondContact O-CG 3.4Å; V18-L22 PolarHBondContact O-N 3.42Å; I19-L22 PolarHBondContact O-N 3.21Å; L22-K24 VanDerWaalsContact C-N 3.3Å; L22-K24 PolarHBondContact O-N 2.9Å; L22-H25 PolarHBondContact O-N 3.12Å; L22-H25 VanDerWaalsContact O-N 3.13Å; L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.08Å; L22-I26 PolarHBondContact O-N 3.29Å; L22-L71 HydrophobicContact CD2-CD1 3.77Å; L22-W99 HydrophobicContact CB-CH2 4.49Å; L22-W99 HydrophobicContact CB-CZ2 4.23Å; L22-W99 HydrophobicContact CD1-CH2 4.27Å; L22-W99 HydrophobicContact CD1-CZ2 3.61Å
23L97.6Very high96.3Very high97 Ų9775.2 Ų75.251%0.50837%0.372SS..Hα-helixtrans-60.4-39.7178.6-71.1174.7000112I19 E20 I26 K27I19-L23 HydrophobicContact CG2-CD1 3.91Å; I19-L23 HydrophobicContact CG2-CG 4.14Å; I19-L23 WeakPolarHBondContact O-CG 3.42Å; I19-L23 PolarHBondContact O-N 3.14Å; E20-L23 PolarHBondContact O-N 3.37Å; L23-I26 HydrophobicContact CD2-CD1 4.41Å; L23-I26 PolarHBondContact O-N 3.41Å; L23-K27 PolarHBondContact O-N 3.31Å
24K97.2Very high96.4Very high157 Ų15770 Ų7068%0.68335%0.352SS*.Hα-helixtrans-61.4-45.5173.9-176.1179.6177.8-177.90111.5E20 I21 L22 K27 D28E20-K24 WeakPolarHBondContact O-CB 3.49Å; E20-K24 PolarHBondContact O-N 3.42Å; I21-K24 PolarHBondContact O-N 3.43Å; L22-K24 VanDerWaalsContact C-N 3.3Å; L22-K24 PolarHBondContact O-N 2.9Å; K24-K27 PolarHBondContact O-N 2.93Å; K24-D28 WeakPolarHBondContact O-CB 3.45Å; K24-D28 PolarHBondContact O-N 3.1Å
25H96.3Very high96.5Very high40 Ų4073.7 Ų73.719%0.18537%0.368CS..Hα-helixtrans-64.3-38.4177.6178.982.5000112.6I21 L22 D28 S29 L71I21-H25 PolarHBondContact O-N 3.31Å; I21-H25 VanDerWaalsContact O-N 3.08Å; L22-H25 PolarHBondContact O-N 3.12Å; L22-H25 VanDerWaalsContact O-N 3.13Å; H25-D28 PolarHBondContact O-N 3.27Å; H25-S29 PolarHBondContact NE2-OG 2.86Å; H25-S29 VanDerWaalsContact O-CB 3.25Å; H25-S29 WeakPolarHBondContact O-CB 3.45Å; H25-S29 PolarHBondContact O-N 3Å; H25-S29 PolarHBondContact O-OG 3.46Å; H25-L71 HydrophobicContact CB-CD1 4Å
26I94.9Very high96.5Very high22 Ų2269.5 Ų69.511%0.11335%0.346CS..Hα-helixtrans-63.1-44.5176.1-66.5161.1000110.9L22 L23 S29 N30 L90 M95 W99L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.08Å; L22-I26 PolarHBondContact O-N 3.29Å; L23-I26 HydrophobicContact CD2-CD1 4.41Å; L23-I26 PolarHBondContact O-N 3.41Å; I26-S29 PolarHBondContact O-N 3.11Å; I26-N30 PolarHBondContact O-N 2.83Å; I26-N30 PolarHBondContact O-ND2 2.83Å; I26-L90 HydrophobicContact CG1-CD2 3.9Å; I26-L90 HydrophobicContact CG2-CD2 4.35Å; I26-M95 HydrophobicContact CD1-CE 3.53Å; I26-M95 HydrophobicContact CD1-SD 3.64Å; I26-M95 HydrophobicContact CG1-SD 4.23Å; I26-W99 HydrophobicContact CD1-CH2 4.49Å
27K95.9Very high96.5Very high172 Ų17265 Ų6575%0.74833%0.327SS*.Hα-helixtrans-61.6-49.3177.1-177.7177.8178.5179.20111.1L23 K24 S29 N30 D31L23-K27 PolarHBondContact O-N 3.31Å; K24-K27 PolarHBondContact O-N 2.93Å; K27-S29 VanDerWaalsContact C-N 3.33Å; K27-S29 PolarHBondContact O-N 2.99Å; K27-N30 PolarHBondContact O-N 3.5Å; K27-D31 PolarHBondContact O-N 3.07Å
28D95.9Very high96.4Very high69 Ų6966.9 Ų66.937%0.36933%0.331SS..Hα-helixtrans-64-37.5179.2-174.543.7000111.9K24 H25 N30 D31 S34 K76K24-D28 WeakPolarHBondContact O-CB 3.45Å; K24-D28 PolarHBondContact O-N 3.1Å; H25-D28 PolarHBondContact O-N 3.27Å; D28-N30 VanDerWaalsContact C-N 3.28Å; D28-N30 PolarHBondContact O-N 2.97Å; D28-D31 PolarHBondContact O-N 2.88Å; D28-S34 WeakPolarHBondContact O-CB 3.41Å; D28-S34 PolarHBondContact O-OG 3.12Å; D28-S34 VanDerWaalsContact OD1-CB 3.27Å; D28-S34 WeakPolarHBondContact OD1-CB 3.37Å; D28-K76 IonicContact OD1-NZ 3.57Å; D28-K76 PolarHBondContact OD1-NZ 2.88Å; D28-K76 WeakPolarHBondContact OD2-CE 3.22Å; D28-K76 IonicContact OD2-NZ 3.28Å; D28-K76 PolarHBondContact OD2-NZ 2.83Å
29S93.8Very high96.4Very high2 Ų268.6 Ų68.61%0.01434%0.337CS..Hα-helixtrans-67.5-24.2177.5-63.40000114.4H25 I26 K27 H79H25-S29 PolarHBondContact NE2-OG 2.86Å; H25-S29 VanDerWaalsContact O-CB 3.25Å; H25-S29 WeakPolarHBondContact O-CB 3.45Å; H25-S29 PolarHBondContact O-N 3Å; H25-S29 PolarHBondContact O-OG 3.46Å; I26-S29 PolarHBondContact O-N 3.11Å; K27-S29 VanDerWaalsContact C-N 3.33Å; K27-S29 PolarHBondContact O-N 2.99Å; S29-H79 VanDerWaalsContact O-CA 3.27Å; S29-H79 WeakPolarHBondContact O-CA 3.48Å
30N91.4Very high96.3Very high76 Ų7668.5 Ų68.541%0.40633%0.332SS..THydrogen-bonded Turntrans-89.9-6.6175.3-75.5-71.1000113.3I26 K27 D28 P32I26-N30 PolarHBondContact O-N 2.83Å; I26-N30 PolarHBondContact O-ND2 2.83Å; K27-N30 PolarHBondContact O-N 3.5Å; D28-N30 VanDerWaalsContact C-N 3.28Å; D28-N30 PolarHBondContact O-N 2.97Å; N30-P32 WeakPolarHBondContact O-CD 3.47Å
31D95.6Very high96.2Very high67 Ų6766.9 Ų66.936%0.35833%0.325SS..  trans-82.9113.1175.9-178.1-4.3000110K27 D28 N33 S34 H79K27-D31 PolarHBondContact O-N 3.07Å; D28-D31 PolarHBondContact O-N 2.88Å; D31-N33 PolarHBondContact O-N 2.8Å; D31-N33 VanDerWaalsContact O-N 3.13Å; D31-N33 WeakPolarHBondContact OD1-CB 3.19Å; D31-N33 PolarHBondContact OD1-N 2.79Å; D31-N33 PolarHBondContact OD1-ND2 2.89Å; D31-N33 VanDerWaalsContact OD1-ND2 3.11Å; D31-S34 VanDerWaalsContact O-CB 3.31Å; D31-S34 WeakPolarHBondContact O-CB 3.2Å; D31-S34 PolarHBondContact O-N 2.88Å; D31-S34 PolarHBondContact O-OG 2.99Å; D31-H79 PolarHBondContact O-NE2 3.42Å
32P94.2Very high96.1Very high42 Ų4270 Ų7027%0.27335%0.347SS..THydrogen-bonded Turntrans-65.5-14.1-178.628.3-36.2000114N30 R81N30-P32 WeakPolarHBondContact O-CD 3.47Å; P32-R81 PolarHBondContact O-NH1 3.16Å
33N95.5Very high96.1Very high138 Ų13875 Ų7574%0.73837%0.373SS*.THydrogen-bonded Turntrans-87.8-12175.3-55.4-64.8000112.8D31D31-N33 PolarHBondContact O-N 2.8Å; D31-N33 VanDerWaalsContact O-N 3.13Å; D31-N33 WeakPolarHBondContact OD1-CB 3.19Å; D31-N33 PolarHBondContact OD1-N 2.79Å; D31-N33 PolarHBondContact OD1-ND2 2.89Å; D31-N33 VanDerWaalsContact OD1-ND2 3.11Å
34S97Very high96Very high15 Ų1575.1 Ų75.111%0.10537%0.371CS..SBendtrans-72157.2174.885.20000110.4D28 D31 K76 H79D28-S34 WeakPolarHBondContact O-CB 3.41Å; D28-S34 PolarHBondContact O-OG 3.12Å; D28-S34 VanDerWaalsContact OD1-CB 3.27Å; D28-S34 WeakPolarHBondContact OD1-CB 3.37Å; D31-S34 VanDerWaalsContact O-CB 3.31Å; D31-S34 WeakPolarHBondContact O-CB 3.2Å; D31-S34 PolarHBondContact O-N 2.88Å; D31-S34 PolarHBondContact O-OG 2.99Å; S34-K76 PolarHBondContact OG-NZ 2.86Å; S34-H79 PolarHBondContact O-NE2 2.93Å; S34-H79 PolarHBondContact OG-CD2 2.85Å; S34-H79 PolarHBondContact OG-NE2 2.87Å
35K97.6Very high96Very high109 Ų10969.9 Ų69.947%0.47435%0.35SS..  trans-71.5134.1172.3-71.7-167.7173-164.40110.3I37 K76 A417 G418K35-I37 VanDerWaalsContact C-N 3.28Å; K35-K76 VanDerWaalsContact O-CD 3.25Å; K35-K76 WeakPolarHBondContact O-CD 3.32Å; K35-K76 WeakPolarHBondContact O-CE 3.45Å; K35-K76 PolarHBondContact O-NZ 3.37Å; K35-A417 WeakPolarHBondContact CE-O 3.19Å; K35-G418 CarbonylContact C-O 3.59Å; K35-G418 VanDerWaalsContact CA-O 3.28Å; K35-G418 WeakPolarHBondContact CA-O 3.38Å
36V97.9Very high95.9Very high0 Ų070.5 Ų70.50%036%0.362CS..SBendtrans-61.7-39.2168.4177.40000110.9V75 K76 H79 R81 F82 G418 M421V36-V75 HydrophobicContact CG1-CG1 4.35Å; V36-K76 PolarHBondContact O-N 3Å; V36-H79 HydrophobicContact CG2-CB 4.18Å; V36-H79 VanDerWaalsContact CG2-ND1 3.33Å; V36-H79 WeakPolarHBondContact CG2-ND1 3.42Å; V36-R81 HydrophobicContact CG2-CB 4.44Å; V36-F82 HydrophobicContact CG1-CB 4.13Å; V36-F82 HydrophobicContact CG1-CD2 3.84Å; V36-F82 HydrophobicContact CG1-CG 4.46Å; V36-G418 PolarHBondContact N-O 3.38Å; V36-M421 HydrophobicContact CG1-CB 4.34Å; V36-M421 HydrophobicContact CG1-CG 3.77Å; V36-M421 HydrophobicContact CG1-SD 3.8Å
37I97.4Very high96Very high17 Ų1774.1 Ų74.19%0.08739%0.389CS..  trans-148.3140.5177.3-170.3-176.7000109.3K35 F39 V75 G418 M421K35-I37 VanDerWaalsContact C-N 3.28Å; I37-F39 HydrophobicContact CD1-CB 4.2Å; I37-F39 HydrophobicContact CD1-CD2 4.02Å; I37-F39 HydrophobicContact CG1-CB 4.47Å; I37-F39 HydrophobicContact CG2-CB 4.42Å; I37-V75 HydrophobicContact CB-CG2 4.3Å; I37-V75 HydrophobicContact CD1-CG2 3.62Å; I37-V75 HydrophobicContact CG1-CG2 3.89Å; I37-G418 WeakPolarHBondContact O-CA 3.4Å; I37-M421 HydrophobicContact CB-SD 4.24Å; I37-M421 HydrophobicContact CG2-CG 4.46Å; I37-M421 HydrophobicContact CG2-SD 3.93Å
38Q96Very high95.9Very high62 Ų6269.2 Ų69.229%0.2937%0.371SS..  trans-95.487.8161.1-171.2176-14.300107.8Y40Q38-Y40 HydrophobicContact CG-CD2 4.42Å; Q38-Y40 HydrophobicContact CG-CE2 3.66Å; Q38-Y40 PolarHBondContact NE2-OH 3.23Å; Q38-Y40 WeakPolarHBondContact O-CD2 3.32Å
39F96.8Very high95.8Very high66 Ų6667.7 Ų67.729%0.28936%0.363SS..  trans-71.4137.6-171.9-178.2-109.2000112.3I37 M415I37-F39 HydrophobicContact CD1-CB 4.2Å; I37-F39 HydrophobicContact CD1-CD2 4.02Å; I37-F39 HydrophobicContact CG1-CB 4.47Å; I37-F39 HydrophobicContact CG2-CB 4.42Å; F39-M415 HydrophobicContact CB-CB 4.36Å; F39-M415 WeakPolarHBondContact CB-O 3.26Å; F39-M415 HydrophobicContact CD1-CB 4.33Å; F39-M415 HydrophobicContact CD2-CB 4.43Å; F39-M415 HydrophobicContact CD2-CE 3.41Å; F39-M415 VanDerWaalsContact CD2-CE 3.41Å; F39-M415 HydrophobicContact CE1-CE 4.38Å; F39-M415 HydrophobicContact CE2-CE 3.18Å; F39-M415 HydrophobicContact CG-CB 4.1Å; F39-M415 HydrophobicContact CG-CE 4.13Å; F39-M415 HydrophobicContact CZ-CE 3.72Å
40Y96.7Very high95.8Very high71 Ų7172.2 Ų72.228%0.27839%0.387SS..  trans-138.7149.3172.6-74.8-78.3000108.5Q38 E44 L45 L48 Y73Q38-Y40 HydrophobicContact CG-CD2 4.42Å; Q38-Y40 HydrophobicContact CG-CE2 3.66Å; Q38-Y40 PolarHBondContact NE2-OH 3.23Å; Q38-Y40 WeakPolarHBondContact O-CD2 3.32Å; Y40-E44 HydrophobicContact CD1-CB 4.11Å; Y40-L45 HydrophobicContact CD2-CD1 4.34Å; Y40-L48 HydrophobicContact CD1-CD1 4Å; Y40-L48 HydrophobicContact CD2-CD1 4.21Å; Y40-L48 HydrophobicContact CE1-CD1 3.71Å; Y40-L48 HydrophobicContact CE2-CD1 3.93Å; Y40-L48 HydrophobicContact CG-CD1 4.24Å; Y40-Y73 HydrophobicContact CD2-CD1 4.12Å; Y40-Y73 HydrophobicContact CD2-CE1 4.41Å; Y40-Y73 AromaticContact CE2-CD1 3.79Å; Y40-Y73 HydrophobicContact CE2-CD1 3.79Å; Y40-Y73 AromaticContact CE2-CE1 3.72Å; Y40-Y73 HydrophobicContact CE2-CE1 3.72Å
41Q96.2Very high96Very high103 Ų10374.6 Ų74.648%0.48140%0.399SS..  trans-67.3154.4167.5-65.1-64.3-14.700110.2L43 E44 L45Q41-L43 VanDerWaalsContact C-N 3.3Å; Q41-L43 PolarHBondContact O-N 2.98Å; Q41-E44 HydrophobicContact CB-CG 4.2Å; Q41-E44 PolarHBondContact N-OE2 2.78Å; Q41-E44 WeakPolarHBondContact O-CB 3.34Å; Q41-E44 PolarHBondContact O-N 2.77Å; Q41-L45 PolarHBondContact O-N 3.05Å
42P97Very high95.9Very high98 Ų9877.8 Ų77.864%0.63642%0.416SS*.Hα-helixtrans-53.6-42.3-174.7-29.435.8000114.4A46P42-A46 VanDerWaalsContact O-CB 3.26Å; P42-A46 WeakPolarHBondContact O-CB 3.46Å; P42-A46 PolarHBondContact O-N 3.03Å
43L96.4Very high96Very high151 Ų15183.4 Ų83.479%0.79144%0.442SS*.Hα-helixtrans-69.4-36.7179.1-65.6176.8000112.6Q41 S47Q41-L43 VanDerWaalsContact C-N 3.3Å; Q41-L43 PolarHBondContact O-N 2.98Å; L43-S47 PolarHBondContact O-N 3.26Å; L43-S47 VanDerWaalsContact O-N 3.09Å
44E96.4Very high96Very high101 Ų10180 Ų8047%0.47243%0.427SS..Hα-helixtrans-66-48.2175.5-62.7172.4162.400109.9Y40 Q41 A46 S47 L48Y40-E44 HydrophobicContact CD1-CB 4.11Å; Q41-E44 HydrophobicContact CB-CG 4.2Å; Q41-E44 PolarHBondContact N-OE2 2.78Å; Q41-E44 WeakPolarHBondContact O-CB 3.34Å; Q41-E44 PolarHBondContact O-N 2.77Å; E44-A46 VanDerWaalsContact C-N 3.35Å; E44-A46 PolarHBondContact O-N 3.41Å; E44-S47 PolarHBondContact O-N 2.88Å; E44-S47 VanDerWaalsContact O-N 3.12Å; E44-S47 PolarHBondContact O-OG 2.81Å; E44-L48 WeakPolarHBondContact O-CG 3.37Å; E44-L48 PolarHBondContact O-N 3.36Å
45L96.3Very high96Very high47 Ų4787.8 Ų87.825%0.24647%0.468CS..Hα-helixtrans-63.2-41.4178.7-174.956.3000111.9Y40 Q41 S47 L48 L49 Y73Y40-L45 HydrophobicContact CD2-CD1 4.34Å; Q41-L45 PolarHBondContact O-N 3.05Å; L45-S47 PolarHBondContact O-N 2.86Å; L45-L48 WeakPolarHBondContact O-CB 3.43Å; L45-L48 PolarHBondContact O-N 3.12Å; L45-L49 HydrophobicContact CD1-CD1 3.93Å; L45-L49 HydrophobicContact CD1-CG 4.24Å; L45-L49 HydrophobicContact CG-CD1 3.94Å; L45-L49 PolarHBondContact O-N 3.42Å; L45-Y73 HydrophobicContact CD1-CD1 4.16Å; L45-Y73 HydrophobicContact CD1-CD2 3.92Å; L45-Y73 HydrophobicContact CD1-CG 3.68Å
46A96Very high96Very high52 Ų5286.8 Ų86.843%0.4347%0.474SS..Hα-helixtrans-61.1-33.3175.500000112.2P42 E44 L48 L49P42-A46 VanDerWaalsContact O-CB 3.26Å; P42-A46 WeakPolarHBondContact O-CB 3.46Å; P42-A46 PolarHBondContact O-N 3.03Å; E44-A46 VanDerWaalsContact C-N 3.35Å; E44-A46 PolarHBondContact O-N 3.41Å; A46-L48 VanDerWaalsContact C-N 3.26Å; A46-L48 PolarHBondContact O-N 2.66Å; A46-L49 PolarHBondContact O-N 2.86Å
47S95.7Very high95.8Very high98 Ų9892.9 Ų92.969%0.68551%0.514SS*.Hα-helixtrans-72.1-18.5174.877.30000114L43 E44 L45L43-S47 PolarHBondContact O-N 3.26Å; L43-S47 VanDerWaalsContact O-N 3.09Å; E44-S47 PolarHBondContact O-N 2.88Å; E44-S47 VanDerWaalsContact O-N 3.12Å; E44-S47 PolarHBondContact O-OG 2.81Å; L45-S47 PolarHBondContact O-N 2.86Å
48L94.4Very high95.7Very high70 Ų7095.5 Ų95.537%0.36653%0.527SS..Hα-helixtrans-91.7-13.7178.9-64.7174.8000113.3Y40 E44 L45 A46 Y73Y40-L48 HydrophobicContact CD1-CD1 4Å; Y40-L48 HydrophobicContact CD2-CD1 4.21Å; Y40-L48 HydrophobicContact CE1-CD1 3.71Å; Y40-L48 HydrophobicContact CE2-CD1 3.93Å; Y40-L48 HydrophobicContact CG-CD1 4.24Å; E44-L48 WeakPolarHBondContact O-CG 3.37Å; E44-L48 PolarHBondContact O-N 3.36Å; L45-L48 WeakPolarHBondContact O-CB 3.43Å; L45-L48 PolarHBondContact O-N 3.12Å; A46-L48 VanDerWaalsContact C-N 3.26Å; A46-L48 PolarHBondContact O-N 2.66Å; L48-Y73 HydrophobicContact CD1-CE1 4.43Å
49L94.7Very high95.6Very high37 Ų3796.8 Ų96.819%0.19454%0.54CS..SBendtrans-117.9127.4-175.1-65.9175.8000110.1L45 A46 L51 E69 Y73L45-L49 HydrophobicContact CD1-CD1 3.93Å; L45-L49 HydrophobicContact CD1-CG 4.24Å; L45-L49 HydrophobicContact CG-CD1 3.94Å; L45-L49 PolarHBondContact O-N 3.42Å; A46-L49 PolarHBondContact O-N 2.86Å; L49-L51 HydrophobicContact CB-CD1 4.42Å; L49-L51 HydrophobicContact CB-CD2 3.86Å; L49-L51 HydrophobicContact CB-CG 3.83Å; L49-L51 HydrophobicContact CD1-CD2 4.25Å; L49-L51 PolarHBondContact O-N 3.25Å; L49-L51 VanDerWaalsContact O-N 3.1Å; L49-E69 HydrophobicContact CD2-CB 4.13Å; L49-Y73 HydrophobicContact CD2-CD2 3.88Å; L49-Y73 HydrophobicContact CD2-CE2 3.99Å; L49-Y73 HydrophobicContact CG-CD2 4.49Å
50D93.1Very high95.5Very high97 Ų9796.7 Ų96.752%0.51954%0.543SS..  trans-80.291167.2-172.514.1000109.6N52D50-N52 PolarHBondContact OD1-N 2.9Å; D50-N52 PolarHBondContact OD1-ND2 2.82Å
51L94.6Very high95.5Very high126 Ų12697 Ų9766%0.6656%0.559SS**  trans-91-1.4-179-60.5178.9000113.2L49L49-L51 HydrophobicContact CB-CD1 4.42Å; L49-L51 HydrophobicContact CB-CD2 3.86Å; L49-L51 HydrophobicContact CB-CG 3.83Å; L49-L51 HydrophobicContact CD1-CD2 4.25Å; L49-L51 PolarHBondContact O-N 3.25Å; L49-L51 VanDerWaalsContact O-N 3.1Å
52N94.4Very high95.5Very high133 Ų13394.4 Ų94.471%0.71155%0.547SS*.  trans-69.2139.1-177.7-66.3-60.2000110.6D50 P54D50-N52 PolarHBondContact OD1-N 2.9Å; D50-N52 PolarHBondContact OD1-ND2 2.82Å; N52-P54 VanDerWaalsContact O-CD 3.24Å; N52-P54 WeakPolarHBondContact O-CD 3.47Å
53I95.9Very high95.5Very high161 Ų16192.9 Ų92.983%0.82653%0.534SS*.  trans-92.7108.7174.7-58.3177.3000108
54P95.3Very high95.5Very high67 Ų6787.5 Ų87.544%0.43551%0.505SS..  trans-76.2156.2-179.331.2-35.4000112N52 S56 M58N52-P54 VanDerWaalsContact O-CD 3.24Å; N52-P54 WeakPolarHBondContact O-CD 3.47Å; P54-S56 VanDerWaalsContact C-N 3.29Å; P54-S56 WeakPolarHBondContact CB-O 3.42Å; P54-S56 VanDerWaalsContact CG-O 3.24Å; P54-S56 WeakPolarHBondContact CG-O 3.25Å; P54-S56 PolarHBondContact O-N 3.28Å; P54-M58 HydrophobicContact CG-CG 3.93Å; P54-M58 HydrophobicContact CG-SD 4.33Å
55N97.6Very high95.6Very high178 Ų17887.7 Ų87.795%0.95251%0.505SS*.SBendtrans-67.2-31.2172-71.6-29.1000112.6
56S96.6Very high95.6Very high88 Ų8887.6 Ų87.662%0.61550%0.504SS*.SBendtrans-101.1143.7178.6-64.70000110.5P54P54-S56 VanDerWaalsContact C-N 3.29Å; P54-S56 WeakPolarHBondContact CB-O 3.42Å; P54-S56 VanDerWaalsContact CG-O 3.24Å; P54-S56 WeakPolarHBondContact CG-O 3.25Å; P54-S56 PolarHBondContact O-N 3.28Å
57P94.6Very high95.7Very high128 Ų12887.4 Ų87.483%0.83150%0.499SS*.PPolyproline II helixtrans-64.9145.5-179.328-35.3000111.8
58M94.9Very high95.8Very high72 Ų7285.3 Ų85.336%0.35548%0.484SS..PPolyproline II helixtrans-82149.6174.6-69.7-66.2-120.500111.7P54 Q62 L63P54-M58 HydrophobicContact CG-CG 3.93Å; P54-M58 HydrophobicContact CG-SD 4.33Å; M58-Q62 HydrophobicContact CB-CB 4.36Å; M58-Q62 HydrophobicContact CB-CG 4.44Å; M58-Q62 HydrophobicContact CE-CG 3.76Å; M58-Q62 HydrophobicContact SD-CG 4.43Å; M58-L63 HydrophobicContact CB-CD2 4.09Å
59P94.7Very high95.8Very high88 Ų8883.9 Ų83.957%0.57148%0.476SS*.PPolyproline II helixtrans-61.6148.5171.7-20.432.2000111.9A61 Q62 L63P59-A61 PolarHBondContact O-N 2.95Å; P59-A61 VanDerWaalsContact O-N 3.11Å; P59-Q62 WeakPolarHBondContact O-CB 3.4Å; P59-Q62 PolarHBondContact O-N 3Å; P59-L63 PolarHBondContact O-N 3.31Å
60L94.2Very high96Very high65 Ų6585.8 Ų85.834%0.3449%0.489SS..Hα-helixtrans-55.5-33.2178.1-65.6180000113.3M1 F14 Q62 L63 L64M1-L60 HydrophobicContact CE-CD2 4.03Å; M1-L60 HydrophobicContact CG-CD2 4.39Å; M1-L60 HydrophobicContact SD-CD1 4.5Å; M1-L60 HydrophobicContact SD-CD2 4.36Å; F14-L60 HydrophobicContact CB-CD1 4.37Å; F14-L60 HydrophobicContact CD2-CB 4.12Å; F14-L60 HydrophobicContact CD2-CD1 4.39Å; F14-L60 HydrophobicContact CD2-CD2 3.96Å; F14-L60 HydrophobicContact CD2-CG 4.38Å; F14-L60 HydrophobicContact CE2-CD2 4.12Å; F14-L60 HydrophobicContact CG-CD2 4.43Å; L60-Q62 VanDerWaalsContact C-N 3.29Å; L60-Q62 PolarHBondContact O-N 2.94Å; L60-L63 HydrophobicContact CD2-CD1 4.15Å; L60-L63 PolarHBondContact O-N 3.22Å; L60-L64 WeakPolarHBondContact O-CG 2.77Å; L60-L64 PolarHBondContact O-N 3.38Å
61A96.2Very high96.1Very high76 Ų7683 Ų8363%0.62847%0.474SS*.Hα-helixtrans-62.3-36.2176.400000112.6P59 K65P59-A61 PolarHBondContact O-N 2.95Å; P59-A61 VanDerWaalsContact O-N 3.11Å; A61-K65 PolarHBondContact O-N 2.72Å
62Q96.6Very high96.2Very high50 Ų5082.3 Ų82.323%0.23447%0.466CS..Hα-helixtrans-70.4-44.2175.3-174.756.651.600110.4M58 P59 L60 L64 K65 D66M58-Q62 HydrophobicContact CB-CB 4.36Å; M58-Q62 HydrophobicContact CB-CG 4.44Å; M58-Q62 HydrophobicContact CE-CG 3.76Å; M58-Q62 HydrophobicContact SD-CG 4.43Å; P59-Q62 WeakPolarHBondContact O-CB 3.4Å; P59-Q62 PolarHBondContact O-N 3Å; L60-Q62 VanDerWaalsContact C-N 3.29Å; L60-Q62 PolarHBondContact O-N 2.94Å; Q62-L64 VanDerWaalsContact C-N 3.27Å; Q62-L64 PolarHBondContact O-N 3.18Å; Q62-K65 CarbonylContact O-C 3.57Å; Q62-K65 WeakPolarHBondContact O-CA 3.15Å; Q62-K65 VanDerWaalsContact O-CB 3.28Å; Q62-K65 WeakPolarHBondContact O-CB 3.47Å; Q62-K65 PolarHBondContact O-N 3.25Å; Q62-D66 PolarHBondContact NE2-OD1 3.04Å; Q62-D66 PolarHBondContact O-N 3.2Å
63L96.4Very high96.3Very high66 Ų6677.3 Ų77.335%0.34644%0.437SS..Hα-helixtrans-58.6-38176-57.1-177.3000112.7F14 M58 P59 L60 D66 C67F14-L63 HydrophobicContact CE2-CB 4.36Å; M58-L63 HydrophobicContact CB-CD2 4.09Å; P59-L63 PolarHBondContact O-N 3.31Å; L60-L63 HydrophobicContact CD2-CD1 4.15Å; L60-L63 PolarHBondContact O-N 3.22Å; L63-D66 PolarHBondContact O-N 3.46Å; L63-C67 PolarHBondContact O-N 2.77Å; L63-C67 PolarHBondContact O-SG 2.79Å
64L97.8Very high96.2Very high38 Ų3875 Ų7520%0.19942%0.423CS..Hα-helixtrans-65.2-38.7173.9-71.2170.9000112.2F14 A17 V18 I21 L60 Q62 C67 S68F14-L64 HydrophobicContact CD2-CD1 4.43Å; F14-L64 HydrophobicContact CD2-CD2 3.99Å; F14-L64 HydrophobicContact CD2-CG 4.08Å; F14-L64 HydrophobicContact CE2-CD2 3.83Å; F14-L64 HydrophobicContact CE2-CG 3.94Å; A17-L64 HydrophobicContact CB-CD1 3.74Å; A17-L64 HydrophobicContact CB-CD2 3.74Å; A17-L64 HydrophobicContact CB-CG 4.42Å; V18-L64 HydrophobicContact CG2-CD2 3.61Å; I21-L64 HydrophobicContact CD1-CB 4.33Å; I21-L64 HydrophobicContact CD1-CD2 4.1Å; I21-L64 WeakPolarHBondContact CD1-O 3.39Å; L60-L64 WeakPolarHBondContact O-CG 2.77Å; L60-L64 PolarHBondContact O-N 3.38Å; Q62-L64 VanDerWaalsContact C-N 3.27Å; Q62-L64 PolarHBondContact O-N 3.18Å; L64-C67 PolarHBondContact O-N 2.91Å; L64-S68 PolarHBondContact O-N 3.17Å
65K97Very high96.3Very high105 Ų10573.7 Ų73.746%0.45741%0.414SS..Hα-helixtrans-62.2-45.9172.7-177.3-174.7166.8-163.80110.3A61 Q62 C67 S68 E69A61-K65 PolarHBondContact O-N 2.72Å; Q62-K65 CarbonylContact O-C 3.57Å; Q62-K65 WeakPolarHBondContact O-CA 3.15Å; Q62-K65 VanDerWaalsContact O-CB 3.28Å; Q62-K65 WeakPolarHBondContact O-CB 3.47Å; Q62-K65 PolarHBondContact O-N 3.25Å; K65-C67 VanDerWaalsContact C-N 3.31Å; K65-C67 PolarHBondContact O-N 3.05Å; K65-S68 PolarHBondContact O-N 3.21Å; K65-E69 VanDerWaalsContact CE-CD 3.47Å; K65-E69 WeakPolarHBondContact CE-OE1 3.38Å; K65-E69 HydrophobicContact CG-CG 4.37Å; K65-E69 IonicContact NZ-OE1 2.63Å; K65-E69 PolarHBondContact O-N 2.66Å
66D97.2Very high96.2Very high45 Ų4566.1 Ų66.124%0.24137%0.372CS..Hα-helixtrans-60-41.4178.8-53.8-25.5000111.1Q62 L63 E69 T70Q62-D66 PolarHBondContact NE2-OD1 3.04Å; Q62-D66 PolarHBondContact O-N 3.2Å; L63-D66 PolarHBondContact O-N 3.46Å; D66-E69 PolarHBondContact O-N 2.98Å; D66-T70 VanDerWaalsContact O-CB 3.31Å; D66-T70 WeakPolarHBondContact O-CB 3.18Å; D66-T70 PolarHBondContact O-N 2.84Å; D66-T70 PolarHBondContact O-OG1 2.86Å
67C97.7Very high96.1Very high47 Ų4765.4 Ų65.432%0.31836%0.364SS..Hα-helixtrans-60.3-44.7172.7-68.60000112.3I21 L63 L64 K65 L71I21-C67 HydrophobicContact CD1-CB 4.36Å; L63-C67 PolarHBondContact O-N 2.77Å; L63-C67 PolarHBondContact O-SG 2.79Å; L64-C67 PolarHBondContact O-N 2.91Å; K65-C67 VanDerWaalsContact C-N 3.31Å; K65-C67 PolarHBondContact O-N 3.05Å; C67-L71 PolarHBondContact O-N 3.01Å
68S97.1Very high96Very high54 Ų5459.5 Ų59.538%0.37833%0.327SS..Hα-helixtrans-67.3-42.5-180-169.90000112.2L64 K65 L71 K72L64-S68 PolarHBondContact O-N 3.17Å; K65-S68 PolarHBondContact O-N 3.21Å; S68-L71 PolarHBondContact O-N 2.85Å; S68-K72 WeakPolarHBondContact O-CB 3.46Å; S68-K72 PolarHBondContact O-N 2.78Å
69E96.2Very high96.1Very high41 Ų4156 Ų5619%0.19231%0.31CS..Hα-helixtrans-67.5-39.4177.8-72.9-177.9157.800111.8L49 K65 D66 L71 K72 Y73L49-E69 HydrophobicContact CD2-CB 4.13Å; K65-E69 VanDerWaalsContact CE-CD 3.47Å; K65-E69 WeakPolarHBondContact CE-OE1 3.38Å; K65-E69 HydrophobicContact CG-CG 4.37Å; K65-E69 IonicContact NZ-OE1 2.63Å; K65-E69 PolarHBondContact O-N 2.66Å; D66-E69 PolarHBondContact O-N 2.98Å; E69-L71 PolarHBondContact O-N 2.77Å; E69-K72 WeakPolarHBondContact O-CB 3.25Å; E69-K72 PolarHBondContact O-N 2.88Å; E69-Y73 HydrophobicContact CB-CE2 4.34Å; E69-Y73 WeakPolarHBondContact O-CD2 3.33Å; E69-Y73 PolarHBondContact O-N 3.22Å
70T96.9Very high96.2Very high76 Ų7652.1 Ų52.147%0.46628%0.284SS..Hα-helixtrans-54.6-52.9173.1-61.90000110.6D66 K72 Y73 Q74D66-T70 VanDerWaalsContact O-CB 3.31Å; D66-T70 WeakPolarHBondContact O-CB 3.18Å; D66-T70 PolarHBondContact O-N 2.84Å; D66-T70 PolarHBondContact O-OG1 2.86Å; T70-K72 VanDerWaalsContact C-N 3.31Å; T70-K72 PolarHBondContact O-N 2.68Å; T70-Y73 PolarHBondContact O-N 2.87Å; T70-Q74 HydrophobicContact CG2-CG 4.35Å; T70-Q74 WeakPolarHBondContact O-CB 3.37Å; T70-Q74 WeakPolarHBondContact O-CG 3.3Å; T70-Q74 PolarHBondContact O-N 2.91Å; T70-Q74 VanDerWaalsContact O-N 3.13Å
71L96.5Very high96.3Very high40 Ų4050.6 Ų50.621%0.20927%0.274CS..Hα-helixtrans-70.3-25.2-179.3-73.5173.8000114.1I21 L22 H25 C67 S68 E69I21-L71 HydrophobicContact CG2-CD1 4.01Å; L22-L71 HydrophobicContact CD2-CD1 3.77Å; H25-L71 HydrophobicContact CB-CD1 4Å; C67-L71 PolarHBondContact O-N 3.01Å; S68-L71 PolarHBondContact O-N 2.85Å; E69-L71 PolarHBondContact O-N 2.77Å
72K95.6Very high96.3Very high110 Ų11047.2 Ų47.248%0.47825%0.245SC..Hα-helixtrans-66-41.4176.5-179.3-173174.9-164.20111.9S68 E69 T70S68-K72 WeakPolarHBondContact O-CB 3.46Å; S68-K72 PolarHBondContact O-N 2.78Å; E69-K72 WeakPolarHBondContact O-CB 3.25Å; E69-K72 PolarHBondContact O-N 2.88Å; T70-K72 VanDerWaalsContact C-N 3.31Å; T70-K72 PolarHBondContact O-N 2.68Å
73Y96.3Very high96.3Very high28 Ų2844.9 Ų44.911%0.1123%0.234CC..Hα-helixtrans-96.6-7.1-176-57.1-60.2000113.7Y40 L45 L48 L49 E69 T70Y40-Y73 HydrophobicContact CD2-CD1 4.12Å; Y40-Y73 HydrophobicContact CD2-CE1 4.41Å; Y40-Y73 AromaticContact CE2-CD1 3.79Å; Y40-Y73 HydrophobicContact CE2-CD1 3.79Å; Y40-Y73 AromaticContact CE2-CE1 3.72Å; Y40-Y73 HydrophobicContact CE2-CE1 3.72Å; L45-Y73 HydrophobicContact CD1-CD1 4.16Å; L45-Y73 HydrophobicContact CD1-CD2 3.92Å; L45-Y73 HydrophobicContact CD1-CG 3.68Å; L48-Y73 HydrophobicContact CD1-CE1 4.43Å; L49-Y73 HydrophobicContact CD2-CD2 3.88Å; L49-Y73 HydrophobicContact CD2-CE2 3.99Å; L49-Y73 HydrophobicContact CG-CD2 4.49Å; E69-Y73 HydrophobicContact CB-CE2 4.34Å; E69-Y73 WeakPolarHBondContact O-CD2 3.33Å; E69-Y73 PolarHBondContact O-N 3.22Å; T70-Y73 PolarHBondContact O-N 2.87Å
74Q95Very high96.2Very high112 Ų11242.7 Ų42.752%0.52322%0.223SC..SBendtrans-72.5154.8173.4-83-63.9-23.200112.9T70T70-Q74 HydrophobicContact CG2-CG 4.35Å; T70-Q74 WeakPolarHBondContact O-CB 3.37Å; T70-Q74 WeakPolarHBondContact O-CG 3.3Å; T70-Q74 PolarHBondContact O-N 2.91Å; T70-Q74 VanDerWaalsContact O-N 3.13Å
75V96.6Very high95.9Very high41 Ų4145.4 Ų45.425%0.24823%0.234CC..  trans-71.7131172.7-177.70000109.4V36 I37 T77 F82 M421V36-V75 HydrophobicContact CG1-CG1 4.35Å; I37-V75 HydrophobicContact CB-CG2 4.3Å; I37-V75 HydrophobicContact CD1-CG2 3.62Å; I37-V75 HydrophobicContact CG1-CG2 3.89Å; V75-T77 HydrophobicContact CG1-CG2 4.39Å; V75-T77 PolarHBondContact O-N 3.28Å; V75-F82 HydrophobicContact CG1-CD2 3.9Å; V75-F82 HydrophobicContact CG1-CE2 3.6Å; V75-F82 HydrophobicContact CG1-CZ 4.37Å; V75-M421 HydrophobicContact CG1-SD 3.85Å
76K96.3Very high95.4Very high18 Ų1841.5 Ų41.58%0.07822%0.218CC..  trans-80.681.7174.6-58.3-176.7-172.2164.90110.3D28 S34 K35 V36 G78 H79D28-K76 IonicContact OD1-NZ 3.57Å; D28-K76 PolarHBondContact OD1-NZ 2.88Å; D28-K76 WeakPolarHBondContact OD2-CE 3.22Å; D28-K76 IonicContact OD2-NZ 3.28Å; D28-K76 PolarHBondContact OD2-NZ 2.83Å; S34-K76 PolarHBondContact OG-NZ 2.86Å; K35-K76 VanDerWaalsContact O-CD 3.25Å; K35-K76 WeakPolarHBondContact O-CD 3.32Å; K35-K76 WeakPolarHBondContact O-CE 3.45Å; K35-K76 PolarHBondContact O-NZ 3.37Å; V36-K76 PolarHBondContact O-N 3Å; K76-G78 PolarHBondContact O-N 2.75Å; K76-H79 HydrophobicContact CB-CB 4.04Å; K76-H79 WeakPolarHBondContact O-CB 3.47Å; K76-H79 PolarHBondContact O-N 2.88Å
77T93.9Very high94.8Very high73 Ų7340.8 Ų40.845%0.44822%0.217SC..THydrogen-bonded Turntrans-64.4-19.5-179.556.70000113.6V75 H79 F82 G89V75-T77 HydrophobicContact CG1-CG2 4.39Å; V75-T77 PolarHBondContact O-N 3.28Å; T77-H79 VanDerWaalsContact C-N 3.31Å; T77-F82 HydrophobicContact CG2-CE1 3.94Å; T77-F82 HydrophobicContact CG2-CZ 3.97Å; T77-F82 WeakPolarHBondContact O-CD1 3.33Å; T77-G89 PolarHBondContact O-N 2.76Å
78G93.2Very high94.4Very high4 Ų438.7 Ų38.74%0.04120%0.203CC..THydrogen-bonded Turntrans-76.3-12.2171.600000114.9K76 N440K76-G78 PolarHBondContact O-N 2.75Å; G78-N440 PolarHBondContact O-ND2 3.38Å
79H96.4Very high94.1Very high0 Ų036.3 Ų36.30%019%0.187CC..  trans-63.3136.7-172.3-166-87000112.4S29 D31 S34 V36 K76 T77 R81 F82 N440S29-H79 VanDerWaalsContact O-CA 3.27Å; S29-H79 WeakPolarHBondContact O-CA 3.48Å; D31-H79 PolarHBondContact O-NE2 3.42Å; S34-H79 PolarHBondContact O-NE2 2.93Å; S34-H79 PolarHBondContact OG-CD2 2.85Å; S34-H79 PolarHBondContact OG-NE2 2.87Å; V36-H79 HydrophobicContact CG2-CB 4.18Å; V36-H79 VanDerWaalsContact CG2-ND1 3.33Å; V36-H79 WeakPolarHBondContact CG2-ND1 3.42Å; K76-H79 HydrophobicContact CB-CB 4.04Å; K76-H79 WeakPolarHBondContact O-CB 3.47Å; K76-H79 PolarHBondContact O-N 2.88Å; T77-H79 VanDerWaalsContact C-N 3.31Å; H79-R81 PolarHBondContact ND1-N 3.37Å; H79-R81 VanDerWaalsContact ND1-N 3.11Å; H79-R81 PolarHBondContact O-N 3.4Å; H79-F82 HydrophobicContact CB-CB 4.17Å; H79-F82 WeakPolarHBondContact O-CB 3.39Å; H79-F82 PolarHBondContact O-N 3.01Å; H79-N440 PolarHBondContact O-ND2 3.44Å
80P96Very high93.9Very high6 Ų636.7 Ų36.74%0.03919%0.19CC..THydrogen-bonded Turntrans-56.7-26.6-178.9-25.132.5000114.1F83 A442 T443 D447P80-F83 WeakPolarHBondContact O-CE1 3.49Å; P80-F83 VanDerWaalsContact O-CZ 3.26Å; P80-F83 WeakPolarHBondContact O-CZ 3.3Å; P80-A442 HydrophobicContact CB-CB 4.33Å; P80-A442 HydrophobicContact CG-CB 4.01Å; P80-T443 PolarHBondContact O-OG1 3.06Å; P80-D447 WeakPolarHBondContact CB-OD2 3.45Å
81R97.6Very high93.6Very high32 Ų3233.7 Ų33.712%0.12117%0.171CC..THydrogen-bonded Turntrans-100.715.2179.2-55.2172.3-177.8177.4-9.9114.5P32 V36 H79 F83 T420 M421 D447P32-R81 PolarHBondContact O-NH1 3.16Å; V36-R81 HydrophobicContact CG2-CB 4.44Å; H79-R81 PolarHBondContact ND1-N 3.37Å; H79-R81 VanDerWaalsContact ND1-N 3.11Å; H79-R81 PolarHBondContact O-N 3.4Å; R81-F83 HydrophobicContact CB-CE2 4.24Å; R81-T420 WeakPolarHBondContact O-CA 3.47Å; R81-T420 PolarHBondContact O-OG1 2.77Å; R81-M421 PolarHBondContact O-N 3Å; R81-D447 HydrophobicContact CG-CB 4.04Å; R81-D447 WeakPolarHBondContact CG-OD1 3.47Å; R81-D447 IonicContact CZ-OD1 2.83Å; R81-D447 IonicContact NE-OD1 3.72Å; R81-D447 PolarHBondContact NE-OD1 2.96Å; R81-D447 IonicContact NH2-OD1 3.94Å
82F96.6Very high93.4Very high6 Ų635.6 Ų35.63%0.02618%0.184CC..EExtended strand (participates in β ladder)trans-93.4109.1172177.7-102000110.3V36 V75 T77 H79 N84 Q85 T88 M421V36-F82 HydrophobicContact CG1-CB 4.13Å; V36-F82 HydrophobicContact CG1-CD2 3.84Å; V36-F82 HydrophobicContact CG1-CG 4.46Å; V75-F82 HydrophobicContact CG1-CD2 3.9Å; V75-F82 HydrophobicContact CG1-CE2 3.6Å; V75-F82 HydrophobicContact CG1-CZ 4.37Å; T77-F82 HydrophobicContact CG2-CE1 3.94Å; T77-F82 HydrophobicContact CG2-CZ 3.97Å; T77-F82 WeakPolarHBondContact O-CD1 3.33Å; H79-F82 HydrophobicContact CB-CB 4.17Å; H79-F82 WeakPolarHBondContact O-CB 3.39Å; H79-F82 PolarHBondContact O-N 3.01Å; F82-N84 HydrophobicContact CD2-CB 4.17Å; F82-N84 HydrophobicContact CE2-CB 3.51Å; F82-N84 HydrophobicContact CZ-CB 3.72Å; F82-Q85 HydrophobicContact CE1-CB 4.25Å; F82-Q85 HydrophobicContact CE1-CG 4.26Å; F82-Q85 HydrophobicContact CZ-CB 4.37Å; F82-Q85 HydrophobicContact CZ-CG 3.88Å; F82-T88 HydrophobicContact CD1-CG2 3.64Å; F82-T88 HydrophobicContact CE1-CG2 3.8Å; F82-M421 HydrophobicContact CD2-CB 3.99Å; F82-M421 HydrophobicContact CD2-CG 4.48Å; F82-M421 HydrophobicContact CD2-SD 4.1Å; F82-M421 HydrophobicContact CE2-CB 4.33Å; F82-M421 HydrophobicContact CE2-SD 4.03Å
83F96Very high93.3Very high1 Ų133.6 Ų33.60%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-122.117.3-175.7-53.7-63.7000113P80 R81 M421 V422 L436 I438 T443 L448 F451P80-F83 WeakPolarHBondContact O-CE1 3.49Å; P80-F83 VanDerWaalsContact O-CZ 3.26Å; P80-F83 WeakPolarHBondContact O-CZ 3.3Å; R81-F83 HydrophobicContact CB-CE2 4.24Å; F83-M421 CarbonylContact C-O 3.55Å; F83-M421 VanDerWaalsContact C-O 3.28Å; F83-M421 VanDerWaalsContact CA-O 3.25Å; F83-M421 WeakPolarHBondContact CA-O 3.42Å; F83-M421 WeakPolarHBondContact CB-O 3.47Å; F83-M421 PolarHBondContact N-O 2.65Å; F83-V422 HydrophobicContact CB-CB 4.37Å; F83-V422 HydrophobicContact CB-CG2 4.4Å; F83-L436 HydrophobicContact CB-CD1 3.54Å; F83-L436 HydrophobicContact CD1-CD1 3.68Å; F83-L436 HydrophobicContact CD2-CD1 3.89Å; F83-L436 HydrophobicContact CE1-CD1 4.35Å; F83-L436 HydrophobicContact CG-CD1 3.42Å; F83-L436 VanDerWaalsContact CG-CD1 3.42Å; F83-I438 HydrophobicContact CD1-CD1 4.3Å; F83-I438 HydrophobicContact CE1-CD1 4.27Å; F83-T443 HydrophobicContact CE1-CG2 3.78Å; F83-T443 HydrophobicContact CZ-CG2 3.98Å; F83-L448 HydrophobicContact CE1-CD2 4.29Å; F83-L448 HydrophobicContact CZ-CD2 4.11Å; F83-F451 AromaticContact CD2-CD2 3.75Å; F83-F451 HydrophobicContact CD2-CD2 3.75Å; F83-F451 HydrophobicContact CD2-CE2 4.11Å; F83-F451 HydrophobicContact CD2-CG 4.24Å; F83-F451 HydrophobicContact CE2-CB 4.01Å; F83-F451 AromaticContact CE2-CD2 3.93Å; F83-F451 HydrophobicContact CE2-CD2 3.93Å; F83-F451 HydrophobicContact CE2-CG 4.06Å
84N94.5Very high93.1Very high20 Ų2032.4 Ų32.411%0.10717%0.173CC..SBendtrans-78.6-26.7-168.4-162.785.1000113.6F82 K411 M421 V422 A423F82-N84 HydrophobicContact CD2-CB 4.17Å; F82-N84 HydrophobicContact CE2-CB 3.51Å; F82-N84 HydrophobicContact CZ-CB 3.72Å; N84-K411 PolarHBondContact OD1-NZ 3.43Å; N84-M421 HydrophobicContact CB-CB 4.03Å; N84-M421 PolarHBondContact N-O 3.12Å; N84-V422 PolarHBondContact OD1-O 3.09Å; N84-A423 WeakPolarHBondContact O-CB 3.41Å
85Q90.4Very high93Very high94 Ų9428.1 Ų28.144%0.43915%0.154SC..SBendtrans-126.2166.5-171-60.2-61-10.600111F82 S87 T88F82-Q85 HydrophobicContact CE1-CB 4.25Å; F82-Q85 HydrophobicContact CE1-CG 4.26Å; F82-Q85 HydrophobicContact CZ-CB 4.37Å; F82-Q85 HydrophobicContact CZ-CG 3.88Å; Q85-S87 VanDerWaalsContact C-N 3.33Å; Q85-T88 VanDerWaalsContact O-CG2 3.23Å; Q85-T88 WeakPolarHBondContact O-CG2 3.43Å
86L86.3Confident92.9Very high23 Ų2328.2 Ų28.212%0.1216%0.159CC..SBendtrans-67.8-38.5169.8-68.2161.9000110.9T243 L271 S273 I437 S439L86-T243 HydrophobicContact CD1-CG2 4.1Å; L86-L271 HydrophobicContact CD2-CD2 3.39Å; L86-L271 HydrophobicContact CD2-CG 3.96Å; L86-S273 WeakPolarHBondContact O-CB 3.21Å; L86-S273 PolarHBondContact O-OG 3.37Å; L86-I437 HydrophobicContact CD2-CD1 3.55Å; L86-I437 HydrophobicContact CD2-CG1 4.32Å; L86-I437 HydrophobicContact CD2-CG2 4.32Å; L86-I437 HydrophobicContact CG-CD1 3.86Å; L86-S439 WeakPolarHBondContact O-CB 3.48Å; L86-S439 PolarHBondContact O-OG 3.07Å
87S85.8Confident92.9Very high31 Ų3127.4 Ų27.422%0.21716%0.155CC..SBendtrans-89109.8176.1-70.80000110.4Q85 R278Q85-S87 VanDerWaalsContact C-N 3.33Å; S87-R278 WeakPolarHBondContact CB-O 3.18Å; S87-R278 PolarHBondContact OG-O 3.46Å
88T89.8Confident92.8Very high3 Ų325.8 Ų25.82%0.01814%0.143CC..  trans-141.9165.6178.570.10000110.5F82 Q85 S439 N440F82-T88 HydrophobicContact CD1-CG2 3.64Å; F82-T88 HydrophobicContact CE1-CG2 3.8Å; Q85-T88 VanDerWaalsContact O-CG2 3.23Å; Q85-T88 WeakPolarHBondContact O-CG2 3.43Å; T88-S439 PolarHBondContact OG1-OG 2.73Å; T88-N440 WeakPolarHBondContact OG1-CB 3.45Å; T88-N440 PolarHBondContact OG1-N 2.96Å; T88-N440 VanDerWaalsContact OG1-N 3.07Å
89G90.5Very high92.9Very high3 Ų330 Ų303%0.03116%0.158CC..SBendtrans83.4163.9-177.200000112.7T77 N440T77-G89 PolarHBondContact O-N 2.76Å; G89-N440 VanDerWaalsContact CA-OD1 3.24Å; G89-N440 WeakPolarHBondContact CA-OD1 3.41Å
90L91.4Very high93Very high50 Ų5033.9 Ų33.926%0.26218%0.178SC..  trans-125.7104.6175.9-179.764.2000108.6I26 V92 M95I26-L90 HydrophobicContact CG1-CD2 3.9Å; I26-L90 HydrophobicContact CG2-CD2 4.35Å; L90-V92 PolarHBondContact O-N 2.73Å; L90-M95 HydrophobicContact CD1-CB 4.27Å; L90-M95 HydrophobicContact CD1-CG 4.37Å; L90-M95 HydrophobicContact CD1-SD 4.18Å; L90-M95 HydrophobicContact CD2-SD 4.19Å; L90-M95 HydrophobicContact CG-SD 4.48Å
91D91Very high93Very high13 Ų1333.8 Ų33.87%0.0718%0.177CC..  trans-82.1108.1174.6-167.3-77.7000109.4I93 S94 M95 R279 K341D91-I93 PolarHBondContact O-N 3.45Å; D91-I93 WeakPolarHBondContact OD1-CB 3.33Å; D91-I93 PolarHBondContact OD1-N 3.01Å; D91-I93 VanDerWaalsContact OD1-N 3.15Å; D91-S94 PolarHBondContact O-N 2.94Å; D91-S94 VanDerWaalsContact O-N 3.16Å; D91-S94 PolarHBondContact OD1-N 3.42Å; D91-M95 WeakPolarHBondContact O-CB 3.12Å; D91-M95 PolarHBondContact O-N 3.17Å; D91-R279 HydrophobicContact CB-CB 4.37Å; D91-R279 IonicContact OD2-NH1 3.65Å; D91-K341 WeakPolarHBondContact OD2-CE 3.29Å; D91-K341 IonicContact OD2-NZ 2.78Å; D91-K341 PolarHBondContact OD2-NZ 3.34Å
92V91.4Very high92.9Very high79 Ų7935.6 Ų35.648%0.47920%0.199SC..Hα-helixtrans-60.2-30.9-174.8-179.30000111.7L90 M95 A96L90-V92 PolarHBondContact O-N 2.73Å; V92-M95 HydrophobicContact CG1-CE 4.3Å; V92-M95 PolarHBondContact O-N 3.33Å; V92-A96 WeakPolarHBondContact O-CB 3.25Å; V92-A96 PolarHBondContact O-N 3.44Å
93I94.1Very high92.9Very high69 Ų6941.2 Ų41.235%0.35423%0.234SC..Hα-helixtrans-73-47.5177.5-54.6-57.7000110.3D91 M95 A96 G97 L336 A340D91-I93 PolarHBondContact O-N 3.45Å; D91-I93 WeakPolarHBondContact OD1-CB 3.33Å; D91-I93 PolarHBondContact OD1-N 3.01Å; D91-I93 VanDerWaalsContact OD1-N 3.15Å; I93-M95 PolarHBondContact O-N 3.24Å; I93-A96 PolarHBondContact O-N 2.62Å; I93-G97 PolarHBondContact O-N 3.02Å; I93-L336 HydrophobicContact CG2-CB 4.38Å; I93-L336 HydrophobicContact CG2-CD2 3.99Å; I93-L336 HydrophobicContact CG2-CG 3.68Å; I93-A340 HydrophobicContact CB-CB 4.4Å; I93-A340 HydrophobicContact CG1-CB 4.04Å; I93-A340 HydrophobicContact CG2-CB 3.82Å
94S92.6Very high92.9Very high2 Ų243.4 Ų43.41%0.01425%0.252CS..Hα-helixtrans-59.7-36.8173.2-62.40000111.8D91 G97 E98 N280 K333 A337D91-S94 PolarHBondContact O-N 2.94Å; D91-S94 VanDerWaalsContact O-N 3.16Å; D91-S94 PolarHBondContact OD1-N 3.42Å; S94-G97 CarbonylContact O-C 3.52Å; S94-G97 WeakPolarHBondContact O-CA 3.42Å; S94-G97 PolarHBondContact O-N 3.47Å; S94-E98 WeakPolarHBondContact O-CG 3.33Å; S94-E98 PolarHBondContact O-N 3.03Å; S94-N280 VanDerWaalsContact CB-ND2 3.28Å; S94-N280 WeakPolarHBondContact CB-ND2 3.32Å; S94-N280 PolarHBondContact O-ND2 3.41Å; S94-K333 WeakPolarHBondContact O-CB 3.13Å; S94-A337 VanDerWaalsContact OG-CB 3.31Å; S94-A337 WeakPolarHBondContact OG-CB 3.39Å
95M93Very high92.9Very high22 Ų2249.2 Ų49.211%0.10828%0.283CS..Hα-helixtrans-67-43.9178.1-175.5-163.96900111.6I26 L90 D91 V92 I93 G97 E98 W99 N280I26-M95 HydrophobicContact CD1-CE 3.53Å; I26-M95 HydrophobicContact CD1-SD 3.64Å; I26-M95 HydrophobicContact CG1-SD 4.23Å; L90-M95 HydrophobicContact CD1-CB 4.27Å; L90-M95 HydrophobicContact CD1-CG 4.37Å; L90-M95 HydrophobicContact CD1-SD 4.18Å; L90-M95 HydrophobicContact CD2-SD 4.19Å; L90-M95 HydrophobicContact CG-SD 4.48Å; D91-M95 WeakPolarHBondContact O-CB 3.12Å; D91-M95 PolarHBondContact O-N 3.17Å; V92-M95 HydrophobicContact CG1-CE 4.3Å; V92-M95 PolarHBondContact O-N 3.33Å; I93-M95 PolarHBondContact O-N 3.24Å; M95-G97 PolarHBondContact O-N 2.81Å; M95-E98 WeakPolarHBondContact O-CB 3.39Å; M95-E98 PolarHBondContact O-N 3.31Å; M95-E98 VanDerWaalsContact O-N 3.13Å; M95-W99 HydrophobicContact CE-CH2 3.53Å; M95-W99 HydrophobicContact CE-CZ2 3.43Å; M95-W99 VanDerWaalsContact CE-CZ2 3.43Å; M95-W99 HydrophobicContact CE-CZ3 4.16Å; M95-W99 HydrophobicContact CG-CZ2 4.15Å; M95-W99 PolarHBondContact O-N 3.42Å; M95-W99 HydrophobicContact SD-CH2 4.36Å; M95-W99 HydrophobicContact SD-CZ2 3.68Å; M95-N280 VanDerWaalsContact CA-ND2 3.32Å; M95-N280 WeakPolarHBondContact CA-ND2 3.42Å; M95-N280 PolarHBondContact N-ND2 3.06Å
96A94.4Very high93.2Very high44 Ų4446.4 Ų46.436%0.36427%0.272SS..Hα-helixtrans-59.6-35.3171.100000111.4V92 I93 W99 L100V92-A96 WeakPolarHBondContact O-CB 3.25Å; V92-A96 PolarHBondContact O-N 3.44Å; I93-A96 PolarHBondContact O-N 2.62Å; A96-W99 PolarHBondContact O-N 3.08Å; A96-L100 PolarHBondContact O-N 3.4Å
97G95Very high93.6Very high0 Ų048.2 Ų48.20%028%0.282CS..Hα-helixtrans-59-48.4170.600000113.3I93 S94 M95 W99 L100 T101 F332I93-G97 PolarHBondContact O-N 3.02Å; S94-G97 CarbonylContact O-C 3.52Å; S94-G97 WeakPolarHBondContact O-CA 3.42Å; S94-G97 PolarHBondContact O-N 3.47Å; M95-G97 PolarHBondContact O-N 2.81Å; G97-W99 VanDerWaalsContact C-N 3.32Å; G97-W99 PolarHBondContact O-N 3.2Å; G97-L100 PolarHBondContact O-N 3.01Å; G97-T101 WeakPolarHBondContact O-CB 3.07Å; G97-T101 PolarHBondContact O-N 3.19Å; G97-T101 PolarHBondContact O-OG1 3.21Å; G97-F332 WeakPolarHBondContact O-CD1 2.92Å
98E93.7Very high93.9Very high39 Ų3946.8 Ų46.818%0.18227%0.272CS..Hα-helixtrans-58.6-42.5175.2-66-86-162.200111.7S94 M95 L100 T101 A102 N280 K333S94-E98 WeakPolarHBondContact O-CG 3.33Å; S94-E98 PolarHBondContact O-N 3.03Å; M95-E98 WeakPolarHBondContact O-CB 3.39Å; M95-E98 PolarHBondContact O-N 3.31Å; M95-E98 VanDerWaalsContact O-N 3.13Å; E98-L100 PolarHBondContact O-N 3.2Å; E98-T101 PolarHBondContact O-N 3.47Å; E98-A102 WeakPolarHBondContact O-CB 3.44Å; E98-A102 PolarHBondContact O-N 2.92Å; E98-N280 HydrophobicContact CG-CB 4.08Å; E98-N280 VanDerWaalsContact OE1-CB 3.25Å; E98-N280 WeakPolarHBondContact OE1-CB 3.41Å; E98-K333 VanDerWaalsContact CD-NZ 3.32Å; E98-K333 HydrophobicContact CG-CB 4.44Å; E98-K333 HydrophobicContact CG-CD 3.76Å; E98-K333 WeakPolarHBondContact OE1-CD 3.31Å; E98-K333 WeakPolarHBondContact OE1-CE 3.27Å; E98-K333 IonicContact OE1-NZ 3.62Å; E98-K333 PolarHBondContact OE1-NZ 3.34Å; E98-K333 IonicContact OE2-NZ 3.77Å; E98-K333 PolarHBondContact OE2-NZ 2.93Å
99W95.2Very high93.9Very high94 Ų9448.2 Ų48.236%0.35628%0.278SS..Hα-helixtrans-64.5-40.6178.2-64.5-3.6000112.1L22 I26 M95 A96 G97 A102 T103L22-W99 HydrophobicContact CB-CH2 4.49Å; L22-W99 HydrophobicContact CB-CZ2 4.23Å; L22-W99 HydrophobicContact CD1-CH2 4.27Å; L22-W99 HydrophobicContact CD1-CZ2 3.61Å; I26-W99 HydrophobicContact CD1-CH2 4.49Å; M95-W99 HydrophobicContact CE-CH2 3.53Å; M95-W99 HydrophobicContact CE-CZ2 3.43Å; M95-W99 VanDerWaalsContact CE-CZ2 3.43Å; M95-W99 HydrophobicContact CE-CZ3 4.16Å; M95-W99 HydrophobicContact CG-CZ2 4.15Å; M95-W99 PolarHBondContact O-N 3.42Å; M95-W99 HydrophobicContact SD-CH2 4.36Å; M95-W99 HydrophobicContact SD-CZ2 3.68Å; A96-W99 PolarHBondContact O-N 3.08Å; G97-W99 VanDerWaalsContact C-N 3.32Å; G97-W99 PolarHBondContact O-N 3.2Å; W99-A102 PolarHBondContact O-N 3.22Å; W99-T103 WeakPolarHBondContact O-CB 3.42Å; W99-T103 PolarHBondContact O-N 2.86Å; W99-T103 PolarHBondContact O-OG1 3.02Å
100L96.9Very high94.1Very high80 Ų8048.2 Ų48.242%0.41928%0.278SS..Hα-helixtrans-66.4-45174.7-170.5149.5000111A96 G97 E98 A102 T103 A104 F117 F332A96-L100 PolarHBondContact O-N 3.4Å; G97-L100 PolarHBondContact O-N 3.01Å; E98-L100 PolarHBondContact O-N 3.2Å; L100-A102 VanDerWaalsContact C-N 3.32Å; L100-A102 PolarHBondContact O-N 3.09Å; L100-T103 WeakPolarHBondContact O-CB 3.43Å; L100-T103 PolarHBondContact O-N 3.34Å; L100-T103 VanDerWaalsContact O-N 3.11Å; L100-A104 PolarHBondContact O-N 3.45Å; L100-F117 HydrophobicContact CD2-CZ 4.38Å; L100-F332 HydrophobicContact CB-CD1 4.11Å; L100-F332 HydrophobicContact CB-CE1 3.66Å; L100-F332 HydrophobicContact CB-CZ 4.48Å; L100-F332 HydrophobicContact CD1-CE1 3.66Å; L100-F332 HydrophobicContact CD1-CZ 3.63Å; L100-F332 HydrophobicContact CD2-CD1 3.82Å; L100-F332 HydrophobicContact CD2-CD2 4.44Å; L100-F332 HydrophobicContact CD2-CE1 3.57Å; L100-F332 HydrophobicContact CD2-CE2 4.22Å; L100-F332 HydrophobicContact CD2-CG 4.26Å; L100-F332 HydrophobicContact CD2-CZ 3.79Å; L100-F332 HydrophobicContact CG-CD1 4.39Å; L100-F332 HydrophobicContact CG-CE1 3.8Å; L100-F332 HydrophobicContact CG-CZ 4.16Å
101T96Very high94.3Very high5 Ų549.4 Ų49.43%0.03128%0.279CS..Hα-helixtrans-55.8-47.9175.6-68.60000111.1G97 E98 T103 A104 N105 N329G97-T101 WeakPolarHBondContact O-CB 3.07Å; G97-T101 PolarHBondContact O-N 3.19Å; G97-T101 PolarHBondContact O-OG1 3.21Å; E98-T101 PolarHBondContact O-N 3.47Å; T101-T103 VanDerWaalsContact C-N 3.28Å; T101-T103 PolarHBondContact O-N 2.8Å; T101-A104 PolarHBondContact O-N 3.02Å; T101-N105 PolarHBondContact O-N 2.57Å; T101-N329 HydrophobicContact CG2-CB 3.87Å; T101-N329 VanDerWaalsContact CG2-O 3.31Å; T101-N329 WeakPolarHBondContact CG2-O 3.42Å
102A95.6Very high94.6Very high70 Ų7054.6 Ų54.658%0.57930%0.303SS*.Hα-helixtrans-63.8-33.9178.300000112.3E98 W99 L100E98-A102 WeakPolarHBondContact O-CB 3.44Å; E98-A102 PolarHBondContact O-N 2.92Å; W99-A102 PolarHBondContact O-N 3.22Å; L100-A102 VanDerWaalsContact C-N 3.32Å; L100-A102 PolarHBondContact O-N 3.09Å
103T96.3Very high94.8Very high123 Ų12354 Ų5476%0.75530%0.297SS*.Hα-helixtrans-69.4-37.7174.4-55.60000111.7W99 L100 T101W99-T103 WeakPolarHBondContact O-CB 3.42Å; W99-T103 PolarHBondContact O-N 2.86Å; W99-T103 PolarHBondContact O-OG1 3.02Å; L100-T103 WeakPolarHBondContact O-CB 3.43Å; L100-T103 PolarHBondContact O-N 3.34Å; L100-T103 VanDerWaalsContact O-N 3.11Å; T101-T103 VanDerWaalsContact C-N 3.28Å; T101-T103 PolarHBondContact O-N 2.8Å
104A96.9Very high95Very high47 Ų4750.8 Ų50.839%0.38828%0.28SS..Hα-helixtrans-73.7-32.8179.200000113.2L100 T101 T106 F117L100-A104 PolarHBondContact O-N 3.45Å; T101-A104 PolarHBondContact O-N 3.02Å; A104-T106 PolarHBondContact O-N 2.98Å; A104-F117 HydrophobicContact CB-CE2 4.02Å; A104-F117 HydrophobicContact CB-CZ 3.96Å
105N95.5Very high95.2Very high143 Ų14353 Ų5377%0.76529%0.294SS*.  trans42.555.5172.2-168.841000115T101T101-N105 PolarHBondContact O-N 2.57Å
106T95.5Very high95.4Very high34 Ų3455.9 Ų55.921%0.20931%0.313CS..  trans-124.7167.5178.7-172.40000111.9A104 I113 S114 F117A104-T106 PolarHBondContact O-N 2.98Å; T106-I113 PolarHBondContact OG1-O 3.31Å; T106-S114 WeakPolarHBondContact CG2-OG 2.91Å; T106-S114 PolarHBondContact OG1-OG 3.19Å; T106-S114 VanDerWaalsContact OG1-OG 3.11Å; T106-F117 HydrophobicContact CG2-CD2 3.72Å; T106-F117 HydrophobicContact CG2-CE2 3.58Å
107N94.3Very high95.6Very high62 Ų6254.8 Ų54.833%0.33230%0.3SS..  trans-107148.2-177.1-80.4-80.1000112.9F109 I113 S114 G326 R327N107-F109 HydrophobicContact CB-CD1 3.44Å; N107-F109 VanDerWaalsContact CB-CD1 3.44Å; N107-F109 HydrophobicContact CB-CE1 3.2Å; N107-F109 HydrophobicContact CB-CG 4.34Å; N107-F109 HydrophobicContact CB-CZ 3.93Å; N107-F109 PolarHBondContact O-N 3.15Å; N107-I113 HydrophobicContact CB-CD1 3.76Å; N107-I113 WeakPolarHBondContact O-CD1 3.26Å; N107-S114 VanDerWaalsContact O-CB 3.29Å; N107-S114 WeakPolarHBondContact O-CB 3.47Å; N107-S114 PolarHBondContact O-OG 3.05Å; N107-G326 WeakPolarHBondContact OD1-CA 3.09Å; N107-R327 WeakPolarHBondContact CA-O 3.21Å; N107-R327 PolarHBondContact OD1-N 2.81Å
108M93.6Very high95.7Very high0 Ų055 Ų550%030%0.302CS..THydrogen-bonded Turntrans-91.129.2-175.6-74.6-66.9-64.600115.4F117 V118 E121 T318 R327 N329 I331M108-F117 HydrophobicContact CE-CB 4.26Å; M108-F117 HydrophobicContact SD-CB 3.37Å; M108-F117 WeakPolarHBondContact SD-CB 3.36Å; M108-F117 HydrophobicContact SD-CG 4.45Å; M108-V118 HydrophobicContact CE-CG2 4.33Å; M108-E121 HydrophobicContact CE-CB 3.87Å; M108-E121 HydrophobicContact CE-CG 4.37Å; M108-T318 PolarHBondContact O-OG1 3.45Å; M108-R327 HydrophobicContact CB-CB 4.15Å; M108-R327 HydrophobicContact CB-CG 4.28Å; M108-R327 PolarHBondContact N-O 3.45Å; M108-R327 PolarHBondContact O-NH2 3.41Å; M108-R327 VanDerWaalsContact O-NH2 3.07Å; M108-N329 HydrophobicContact CG-CB 3.93Å; M108-N329 HydrophobicContact SD-CB 4.32Å; M108-I331 HydrophobicContact CE-CG2 4.06Å; M108-I331 HydrophobicContact SD-CG2 4.33Å
109F89.8Confident95.9Very high33 Ų3356.8 Ų56.815%0.14531%0.312CS..THydrogen-bonded Turntrans-92.1-34.5-17950.2-114.7000114.3N107 I113 L305 T318 G319 C325N107-F109 HydrophobicContact CB-CD1 3.44Å; N107-F109 VanDerWaalsContact CB-CD1 3.44Å; N107-F109 HydrophobicContact CB-CE1 3.2Å; N107-F109 HydrophobicContact CB-CG 4.34Å; N107-F109 HydrophobicContact CB-CZ 3.93Å; N107-F109 PolarHBondContact O-N 3.15Å; F109-I113 HydrophobicContact CD2-CD1 4.09Å; F109-I113 HydrophobicContact CD2-CG1 4.49Å; F109-I113 HydrophobicContact CE1-CD1 3.96Å; F109-I113 HydrophobicContact CE2-CD1 3.3Å; F109-I113 HydrophobicContact CE2-CG1 3.92Å; F109-I113 HydrophobicContact CZ-CD1 3.23Å; F109-I113 HydrophobicContact CZ-CG1 4.33Å; F109-L305 HydrophobicContact CB-CD2 4.27Å; F109-L305 HydrophobicContact CD2-CD1 3.65Å; F109-L305 HydrophobicContact CD2-CD2 4.17Å; F109-L305 HydrophobicContact CD2-CG 4.15Å; F109-L305 HydrophobicContact CE2-CD1 3.52Å; F109-L305 HydrophobicContact CE2-CG 4.49Å; F109-L305 HydrophobicContact CG-CD1 4.36Å; F109-L305 HydrophobicContact CG-CD2 4.13Å; F109-L305 HydrophobicContact CZ-CD1 4.1Å; F109-T318 PolarHBondContact O-N 3.32Å; F109-G319 PolarHBondContact O-N 3.48Å; F109-C325 WeakPolarHBondContact CD1-O 3.36Å
110T94.5Very high96Very high4 Ų453.4 Ų53.43%0.02530%0.3CS..  trans-132.7152.2-177.957.60000111.4E112 S114 L305 F306 D317T110-E112 VanDerWaalsContact C-N 3.26Å; T110-E112 PolarHBondContact O-N 3.47Å; T110-S114 PolarHBondContact O-N 3.04Å; T110-L305 HydrophobicContact CG2-CD1 4.44Å; T110-L305 HydrophobicContact CG2-CG 4.38Å; T110-F306 HydrophobicContact CG2-CD1 4.36Å; T110-F306 HydrophobicContact CG2-CE1 4.24Å; T110-D317 WeakPolarHBondContact CA-OD1 3.35Å; T110-D317 VanDerWaalsContact CB-OD1 3.29Å; T110-D317 WeakPolarHBondContact CB-OD1 3.49Å; T110-D317 HydrophobicContact CG2-CB 4.26Å
111Y96Very high96Very high74 Ų7449.8 Ų49.829%0.2928%0.281SS..THydrogen-bonded Turntrans-63.1-34.7172.6179-96.6000111.6I113 S114 P115 V118 L119 Y312 Y316 D317Y111-I113 VanDerWaalsContact C-N 3.32Å; Y111-I113 PolarHBondContact O-N 3.31Å; Y111-S114 CarbonylContact O-C 3.47Å; Y111-S114 PolarHBondContact O-N 3.19Å; Y111-P115 HydrophobicContact CD1-CB 4.31Å; Y111-P115 HydrophobicContact CD2-CB 3.98Å; Y111-P115 HydrophobicContact CE1-CB 3.92Å; Y111-P115 HydrophobicContact CE2-CB 3.55Å; Y111-P115 HydrophobicContact CG-CB 4.33Å; Y111-P115 WeakPolarHBondContact O-CA 3.37Å; Y111-P115 VanDerWaalsContact O-CB 3.32Å; Y111-P115 WeakPolarHBondContact O-CB 3.43Å; Y111-P115 WeakPolarHBondContact O-CD 3.45Å; Y111-V118 HydrophobicContact CD2-CB 4.4Å; Y111-V118 HydrophobicContact CD2-CG1 4.21Å; Y111-L119 HydrophobicContact CE2-CD1 4.16Å; Y111-L119 HydrophobicContact CE2-CD2 4.38Å; Y111-L119 HydrophobicContact CE2-CG 4.08Å; Y111-Y312 AromaticContact CD1-CD2 3.91Å; Y111-Y312 HydrophobicContact CD1-CD2 3.91Å; Y111-Y312 HydrophobicContact CD1-CE2 4.11Å; Y111-Y312 HydrophobicContact CD1-CG 4.22Å; Y111-Y312 HydrophobicContact CG-CD2 4.47Å; Y111-Y312 HydrophobicContact CG-CE2 4.41Å; Y111-Y316 HydrophobicContact CD2-CG 4.49Å; Y111-D317 PolarHBondContact N-OD1 3.5Å
112E96.4Very high95.9Very high122 Ų12254.3 Ų54.357%0.5730%0.3SS*.THydrogen-bonded Turntrans-53.4-41.6-178.6176.9173.3177.400114.7T110 K310 Y312T110-E112 VanDerWaalsContact C-N 3.26Å; T110-E112 PolarHBondContact O-N 3.47Å; E112-K310 IonicContact OE2-NZ 2.75Å; E112-Y312 HydrophobicContact CB-CE1 3.92Å; E112-Y312 VanDerWaalsContact CB-OH 3.25Å; E112-Y312 WeakPolarHBondContact CB-OH 3.46Å; E112-Y312 PolarHBondContact N-OH 2.73Å
113I95.9Very high95.9Very high67 Ų6756.4 Ų56.434%0.34430%0.299SS..THydrogen-bonded Turntrans-103.2-12.3-177.566.3161.2000113.7T106 N107 F109 Y111T106-I113 PolarHBondContact OG1-O 3.31Å; N107-I113 HydrophobicContact CB-CD1 3.76Å; N107-I113 WeakPolarHBondContact O-CD1 3.26Å; F109-I113 HydrophobicContact CD2-CD1 4.09Å; F109-I113 HydrophobicContact CD2-CG1 4.49Å; F109-I113 HydrophobicContact CE1-CD1 3.96Å; F109-I113 HydrophobicContact CE2-CD1 3.3Å; F109-I113 HydrophobicContact CE2-CG1 3.92Å; F109-I113 HydrophobicContact CZ-CD1 3.23Å; F109-I113 HydrophobicContact CZ-CG1 4.33Å; Y111-I113 VanDerWaalsContact C-N 3.32Å; Y111-I113 PolarHBondContact O-N 3.31Å
114S97.2Very high95.8Very high1 Ų150.8 Ų50.81%0.00726%0.264CS..  trans-137.147.1-177.8-75.30000112.9T106 N107 T110 Y111 V116 F117 V118T106-S114 WeakPolarHBondContact CG2-OG 2.91Å; T106-S114 PolarHBondContact OG1-OG 3.19Å; T106-S114 VanDerWaalsContact OG1-OG 3.11Å; N107-S114 VanDerWaalsContact O-CB 3.29Å; N107-S114 WeakPolarHBondContact O-CB 3.47Å; N107-S114 PolarHBondContact O-OG 3.05Å; T110-S114 PolarHBondContact O-N 3.04Å; Y111-S114 CarbonylContact O-C 3.47Å; Y111-S114 PolarHBondContact O-N 3.19Å; S114-V116 VanDerWaalsContact C-N 3.33Å; S114-V116 PolarHBondContact O-N 2.91Å; S114-F117 PolarHBondContact O-N 3.33Å; S114-V118 WeakPolarHBondContact O-CB 3.45Å; S114-V118 VanDerWaalsContact O-CG2 3.3Å; S114-V118 WeakPolarHBondContact O-CG2 3.43Å; S114-V118 PolarHBondContact O-N 3.1Å
115P97.4Very high95.7Very high48 Ų4849.2 Ų49.231%0.31225%0.249SC..Hα-helixtrans-61.6-42.7-167.323.7-33.2000112.1Y111 L119Y111-P115 HydrophobicContact CD1-CB 4.31Å; Y111-P115 HydrophobicContact CD2-CB 3.98Å; Y111-P115 HydrophobicContact CE1-CB 3.92Å; Y111-P115 HydrophobicContact CE2-CB 3.55Å; Y111-P115 HydrophobicContact CG-CB 4.33Å; Y111-P115 WeakPolarHBondContact O-CA 3.37Å; Y111-P115 VanDerWaalsContact O-CB 3.32Å; Y111-P115 WeakPolarHBondContact O-CB 3.43Å; Y111-P115 WeakPolarHBondContact O-CD 3.45Å; P115-L119 VanDerWaalsContact O-CG 3.31Å; P115-L119 WeakPolarHBondContact O-CG 3.14Å; P115-L119 PolarHBondContact O-N 2.86Å
116V98Very high95.6Very high84 Ų8444.9 Ų44.951%0.50923%0.226SC..Hα-helixtrans-67.7-44.6179.8179.50000111.4S114 L119 M120S114-V116 VanDerWaalsContact C-N 3.33Å; S114-V116 PolarHBondContact O-N 2.91Å; V116-L119 PolarHBondContact O-N 3.29Å; V116-M120 HydrophobicContact CG1-CE 3.54Å; V116-M120 HydrophobicContact CG1-SD 4.08Å; V116-M120 WeakPolarHBondContact O-CG 3.22Å; V116-M120 PolarHBondContact O-N 3.42Å
117F97.5Very high95.6Very high20 Ų2045.1 Ų45.19%0.08823%0.225CC..Hα-helixtrans-72.8-36.4-175-56.5-48.8000112.3L100 A104 T106 M108 S114 L119 M120 E121 N329 I331 F332L100-F117 HydrophobicContact CD2-CZ 4.38Å; A104-F117 HydrophobicContact CB-CE2 4.02Å; A104-F117 HydrophobicContact CB-CZ 3.96Å; T106-F117 HydrophobicContact CG2-CD2 3.72Å; T106-F117 HydrophobicContact CG2-CE2 3.58Å; M108-F117 HydrophobicContact CE-CB 4.26Å; M108-F117 HydrophobicContact SD-CB 3.37Å; M108-F117 WeakPolarHBondContact SD-CB 3.36Å; M108-F117 HydrophobicContact SD-CG 4.45Å; S114-F117 PolarHBondContact O-N 3.33Å; F117-L119 VanDerWaalsContact C-N 3.33Å; F117-L119 PolarHBondContact O-N 2.88Å; F117-M120 HydrophobicContact CD1-SD 4.15Å; F117-M120 PolarHBondContact O-N 2.98Å; F117-E121 WeakPolarHBondContact O-CB 3.43Å; F117-E121 PolarHBondContact O-N 3.25Å; F117-N329 WeakPolarHBondContact CD1-ND2 3.24Å; F117-N329 WeakPolarHBondContact CD2-ND2 3.49Å; F117-N329 WeakPolarHBondContact CE1-ND2 3.12Å; F117-N329 WeakPolarHBondContact CE2-ND2 3.16Å; F117-N329 WeakPolarHBondContact CG-ND2 3.34Å; F117-N329 WeakPolarHBondContact CZ-ND2 3.35Å; F117-I331 HydrophobicContact CB-CG2 4.01Å; F117-F332 HydrophobicContact CD1-CB 4.04Å; F117-F332 HydrophobicContact CD1-CD2 4.18Å; F117-F332 HydrophobicContact CD1-CG 4.47Å; F117-F332 HydrophobicContact CE1-CB 3.79Å; F117-F332 AromaticContact CE1-CD2 3.67Å; F117-F332 HydrophobicContact CE1-CD2 3.67Å; F117-F332 AromaticContact CE1-CG 3.87Å; F117-F332 HydrophobicContact CE1-CG 3.87Å
118V97.3Very high95.5Very high5 Ų543.9 Ų43.93%0.0322%0.218CC..Hα-helixtrans-58.9-44.9172.9165.80000111M108 Y111 S114 E121 K122 Y316M108-V118 HydrophobicContact CE-CG2 4.33Å; Y111-V118 HydrophobicContact CD2-CB 4.4Å; Y111-V118 HydrophobicContact CD2-CG1 4.21Å; S114-V118 WeakPolarHBondContact O-CB 3.45Å; S114-V118 VanDerWaalsContact O-CG2 3.3Å; S114-V118 WeakPolarHBondContact O-CG2 3.43Å; S114-V118 PolarHBondContact O-N 3.1Å; V118-E121 PolarHBondContact O-N 3.12Å; V118-K122 PolarHBondContact O-N 2.95Å; V118-K122 VanDerWaalsContact O-N 3.08Å; V118-Y316 HydrophobicContact CG1-CD1 4.36Å; V118-Y316 VanDerWaalsContact CG1-O 3.24Å; V118-Y316 WeakPolarHBondContact CG1-O 3.38Å
119L97.8Very high95.5Very high76 Ų7643.9 Ų43.940%0.39822%0.218SC..Hα-helixtrans-66.5-39.9176.7-65.4177.4000112.3Y111 P115 V116 F117 E121 K122 E123 Y316Y111-L119 HydrophobicContact CE2-CD1 4.16Å; Y111-L119 HydrophobicContact CE2-CD2 4.38Å; Y111-L119 HydrophobicContact CE2-CG 4.08Å; P115-L119 VanDerWaalsContact O-CG 3.31Å; P115-L119 WeakPolarHBondContact O-CG 3.14Å; P115-L119 PolarHBondContact O-N 2.86Å; V116-L119 PolarHBondContact O-N 3.29Å; F117-L119 VanDerWaalsContact C-N 3.33Å; F117-L119 PolarHBondContact O-N 2.88Å; L119-E121 VanDerWaalsContact C-N 3.31Å; L119-E121 PolarHBondContact O-N 2.92Å; L119-K122 PolarHBondContact O-N 2.97Å; L119-E123 PolarHBondContact O-N 3.09Å; L119-Y316 HydrophobicContact CD2-CD1 3.8Å; L119-Y316 HydrophobicContact CD2-CE1 3.49Å; L119-Y316 VanDerWaalsContact CD2-CE1 3.49Å
120M97.5Very high95.7Very high23 Ų2348 Ų4811%0.11324%0.238CC..Hα-helixtrans-62-38.8174.3-72.6174.4175.700112.3V116 F117 E123 I124 I331 F332 W335V116-M120 HydrophobicContact CG1-CE 3.54Å; V116-M120 HydrophobicContact CG1-SD 4.08Å; V116-M120 WeakPolarHBondContact O-CG 3.22Å; V116-M120 PolarHBondContact O-N 3.42Å; F117-M120 HydrophobicContact CD1-SD 4.15Å; F117-M120 PolarHBondContact O-N 2.98Å; M120-E123 PolarHBondContact O-N 3.23Å; M120-I124 WeakPolarHBondContact O-CG1 3.39Å; M120-I124 PolarHBondContact O-N 3.23Å; M120-I331 HydrophobicContact CB-CG1 3.99Å; M120-F332 HydrophobicContact CE-CD2 4Å; M120-F332 HydrophobicContact CE-CE2 4Å; M120-F332 HydrophobicContact SD-CD2 3.68Å; M120-F332 HydrophobicContact SD-CE2 4.28Å; M120-W335 HydrophobicContact CB-CB 4.46Å; M120-W335 HydrophobicContact CB-CG 4.21Å; M120-W335 HydrophobicContact CE-CD2 3.95Å; M120-W335 HydrophobicContact CE-CE3 3.81Å; M120-W335 HydrophobicContact CE-CH2 4.05Å; M120-W335 HydrophobicContact CE-CZ2 4.17Å; M120-W335 HydrophobicContact CE-CZ3 3.87Å; M120-W335 HydrophobicContact CG-CD2 4.16Å; M120-W335 HydrophobicContact CG-CG 3.99Å; M120-W335 HydrophobicContact SD-CB 4.47Å; M120-W335 HydrophobicContact SD-CD2 4.01Å; M120-W335 HydrophobicContact SD-CE3 4.17Å; M120-W335 HydrophobicContact SD-CG 4.14Å
121E96.3Very high95.6Very high5 Ų552.2 Ų52.22%0.02326%0.259CS..Hα-helixtrans-66.8-44.9179.5178.7165.497.600111.1M108 F117 V118 L119 E123 I124 I125 L143 R327 I331M108-E121 HydrophobicContact CE-CB 3.87Å; M108-E121 HydrophobicContact CE-CG 4.37Å; F117-E121 WeakPolarHBondContact O-CB 3.43Å; F117-E121 PolarHBondContact O-N 3.25Å; V118-E121 PolarHBondContact O-N 3.12Å; L119-E121 VanDerWaalsContact C-N 3.31Å; L119-E121 PolarHBondContact O-N 2.92Å; E121-E123 VanDerWaalsContact C-N 3.33Å; E121-E123 PolarHBondContact O-N 3.44Å; E121-I124 PolarHBondContact O-N 3.21Å; E121-I125 HydrophobicContact CG-CD1 3.62Å; E121-I125 HydrophobicContact CG-CG1 4.38Å; E121-I125 WeakPolarHBondContact O-CB 3.19Å; E121-I125 VanDerWaalsContact O-CG1 3.28Å; E121-I125 WeakPolarHBondContact O-CG1 3.45Å; E121-I125 PolarHBondContact O-N 3.25Å; E121-L143 HydrophobicContact CG-CD1 3.87Å; E121-L143 WeakPolarHBondContact OE2-CD1 3.37Å; E121-R327 IonicContact OE1-CZ 3.3Å; E121-R327 IonicContact OE1-NH1 2.85Å; E121-R327 PolarHBondContact OE1-NH1 2.98Å; E121-R327 IonicContact OE1-NH2 3.75Å; E121-R327 PolarHBondContact OE1-NH2 3.12Å; E121-R327 IonicContact OE2-CZ 2.72Å; E121-R327 IonicContact OE2-NH1 3.01Å; E121-R327 PolarHBondContact OE2-NH1 3.39Å; E121-R327 IonicContact OE2-NH2 2.64Å; E121-I331 HydrophobicContact CB-CB 4.25Å; E121-I331 HydrophobicContact CB-CD1 4.38Å; E121-I331 HydrophobicContact CB-CG1 3.95Å; E121-I331 HydrophobicContact CB-CG2 4.27Å
122K95.2Very high95.4Very high99 Ų9951.4 Ų51.443%0.4326%0.259SS..Hα-helixtrans-55.5-47.7173.3-174.7175.4-178.8173.60111.6V118 L119 I125 N126 Y316V118-K122 PolarHBondContact O-N 2.95Å; V118-K122 VanDerWaalsContact O-N 3.08Å; L119-K122 PolarHBondContact O-N 2.97Å; K122-I125 PolarHBondContact O-N 2.92Å; K122-N126 WeakPolarHBondContact O-CB 3.32Å; K122-N126 VanDerWaalsContact O-CG 3.26Å; K122-N126 PolarHBondContact O-N 3.21Å; K122-N126 PolarHBondContact O-ND2 3.42Å; K122-Y316 HydrophobicContact CD-CE1 4.02Å; K122-Y316 PolarHBondContact NZ-OH 3.04Å
123E95.4Very high95.3Very high115 Ų11548.4 Ų48.454%0.53726%0.261SS..Hα-helixtrans-62.5-46.1-179.4-178.160.8-167.300112.6L119 M120 E121 N126 L127L119-E123 PolarHBondContact O-N 3.09Å; M120-E123 PolarHBondContact O-N 3.23Å; E121-E123 VanDerWaalsContact C-N 3.33Å; E121-E123 PolarHBondContact O-N 3.44Å; E123-N126 WeakPolarHBondContact O-CB 3.36Å; E123-N126 PolarHBondContact O-N 3Å; E123-L127 WeakPolarHBondContact O-CB 3.23Å; E123-L127 PolarHBondContact O-N 3.41Å
124I94.2Very high95.2Very high5 Ų546.7 Ų46.73%0.02625%0.25CS..Hα-helixtrans-69.8-39.1-179.3-68.3-66.8000111.8M120 E121 N126 L127 M128 I331 L334 W335 W338M120-I124 WeakPolarHBondContact O-CG1 3.39Å; M120-I124 PolarHBondContact O-N 3.23Å; E121-I124 PolarHBondContact O-N 3.21Å; I124-N126 VanDerWaalsContact C-N 3.3Å; I124-N126 PolarHBondContact O-N 3.38Å; I124-L127 PolarHBondContact O-N 3.04Å; I124-M128 HydrophobicContact CG2-CG 4.36Å; I124-M128 HydrophobicContact CG2-SD 3.98Å; I124-M128 WeakPolarHBondContact O-CB 3.45Å; I124-M128 VanDerWaalsContact O-CG 3.27Å; I124-M128 WeakPolarHBondContact O-CG 3.43Å; I124-M128 PolarHBondContact O-N 3.4Å; I124-I331 HydrophobicContact CB-CD1 3.68Å; I124-I331 HydrophobicContact CG1-CD1 3.72Å; I124-I331 HydrophobicContact CG2-CD1 3.87Å; I124-L334 HydrophobicContact CG2-CD2 3.7Å; I124-L334 HydrophobicContact CG2-CG 4.04Å; I124-W335 HydrophobicContact CD1-CB 4.33Å; I124-W335 HydrophobicContact CG1-CB 4.15Å; I124-W335 HydrophobicContact CG1-CG 4.47Å; I124-W338 HydrophobicContact CD1-CB 4.43Å; I124-W338 HydrophobicContact CD1-CD2 4.27Å; I124-W338 HydrophobicContact CD1-CE3 3.74Å; I124-W338 HydrophobicContact CD1-CZ3 4.37Å; I124-W338 HydrophobicContact CG2-CE3 4.43Å; I124-W338 HydrophobicContact CG2-CZ3 4.18Å
125I94.4Very high95Very high13 Ų1349.1 Ų49.17%0.06727%0.266CS..Hα-helixtrans-59.5-45.9173.6-73.8166.2000109.8E121 K122 L127 M128 C129 G141 V285 L287E121-I125 HydrophobicContact CG-CD1 3.62Å; E121-I125 HydrophobicContact CG-CG1 4.38Å; E121-I125 WeakPolarHBondContact O-CB 3.19Å; E121-I125 VanDerWaalsContact O-CG1 3.28Å; E121-I125 WeakPolarHBondContact O-CG1 3.45Å; E121-I125 PolarHBondContact O-N 3.25Å; K122-I125 PolarHBondContact O-N 2.92Å; I125-L127 PolarHBondContact O-N 3.48Å; I125-M128 PolarHBondContact O-N 3.01Å; I125-C129 WeakPolarHBondContact O-CB 3.22Å; I125-C129 PolarHBondContact O-N 2.83Å; I125-C129 PolarHBondContact O-SG 3.1Å; I125-C129 VanDerWaalsContact O-SG 3.37Å; I125-G141 WeakPolarHBondContact CD1-O 3.21Å; I125-V285 HydrophobicContact CG1-CG1 4.35Å; I125-L287 HydrophobicContact CG1-CD2 4.45Å; I125-L287 HydrophobicContact CG2-CD2 3.92Å
126N94.5Very high94.6Very high53 Ų5355 Ų5528%0.28329%0.29SS..Hα-helixtrans-59.6-46.2177.2-77.4-22.8000112.1K122 E123 I124 M128 C129 Q130K122-N126 WeakPolarHBondContact O-CB 3.32Å; K122-N126 VanDerWaalsContact O-CG 3.26Å; K122-N126 PolarHBondContact O-N 3.21Å; K122-N126 PolarHBondContact O-ND2 3.42Å; E123-N126 WeakPolarHBondContact O-CB 3.36Å; E123-N126 PolarHBondContact O-N 3Å; I124-N126 VanDerWaalsContact C-N 3.3Å; I124-N126 PolarHBondContact O-N 3.38Å; N126-M128 PolarHBondContact O-N 2.72Å; N126-C129 PolarHBondContact O-N 3.12Å; N126-Q130 WeakPolarHBondContact O-CB 3.35Å; N126-Q130 PolarHBondContact O-N 2.64Å
127L93.6Very high94.2Very high38 Ų3853.2 Ų53.220%0.19929%0.288CS..Hα-helixtrans-60.5-44.7176.4177.859.7000111.9E123 I124 I125 Q130 I131 W338E123-L127 WeakPolarHBondContact O-CB 3.23Å; E123-L127 PolarHBondContact O-N 3.41Å; I124-L127 PolarHBondContact O-N 3.04Å; I125-L127 PolarHBondContact O-N 3.48Å; L127-Q130 WeakPolarHBondContact O-CB 3.45Å; L127-Q130 PolarHBondContact O-N 3.14Å; L127-I131 HydrophobicContact CD1-CD1 4.22Å; L127-I131 HydrophobicContact CD1-CG1 4.49Å; L127-I131 HydrophobicContact CG-CD1 4.07Å; L127-I131 WeakPolarHBondContact O-CD1 3.1Å; L127-I131 VanDerWaalsContact O-CG1 3.31Å; L127-I131 WeakPolarHBondContact O-CG1 3.18Å; L127-I131 PolarHBondContact O-N 2.84Å; L127-W338 HydrophobicContact CD2-CD2 3.82Å; L127-W338 HydrophobicContact CD2-CE3 4.24Å; L127-W338 HydrophobicContact CD2-CG 4.4Å; L127-W338 HydrophobicContact CD2-CH2 3.9Å; L127-W338 HydrophobicContact CD2-CZ2 3.46Å; L127-W338 VanDerWaalsContact CD2-CZ2 3.46Å; L127-W338 HydrophobicContact CD2-CZ3 4.27Å; L127-W338 HydrophobicContact CG-CH2 4.12Å; L127-W338 HydrophobicContact CG-CZ2 3.88Å
128M93.6Very high93.9Very high36 Ų3655.9 Ų55.918%0.17730%0.3CS..Hα-helixtrans-64.8-43.1178.5-69.8178.170.700112I124 I125 N126 Q130 I131 I132 V285 L287 W338I124-M128 HydrophobicContact CG2-CG 4.36Å; I124-M128 HydrophobicContact CG2-SD 3.98Å; I124-M128 WeakPolarHBondContact O-CB 3.45Å; I124-M128 VanDerWaalsContact O-CG 3.27Å; I124-M128 WeakPolarHBondContact O-CG 3.43Å; I124-M128 PolarHBondContact O-N 3.4Å; I125-M128 PolarHBondContact O-N 3.01Å; N126-M128 PolarHBondContact O-N 2.72Å; M128-Q130 VanDerWaalsContact C-N 3.3Å; M128-Q130 PolarHBondContact O-N 3.41Å; M128-I131 PolarHBondContact O-N 3Å; M128-I132 WeakPolarHBondContact O-CG1 3.37Å; M128-I132 PolarHBondContact O-N 3.17Å; M128-I132 VanDerWaalsContact O-N 3.08Å; M128-V285 HydrophobicContact CE-CB 3.95Å; M128-V285 HydrophobicContact CE-CG1 4.43Å; M128-V285 HydrophobicContact CE-CG2 3.84Å; M128-V285 HydrophobicContact SD-CB 4.28Å; M128-V285 HydrophobicContact SD-CG1 4.37Å; M128-V285 HydrophobicContact SD-CG2 3.77Å; M128-L287 HydrophobicContact CB-CD1 3.85Å; M128-L287 HydrophobicContact CE-CD1 4.32Å; M128-W338 HydrophobicContact CG-CH2 3.89Å; M128-W338 HydrophobicContact CG-CZ3 3.95Å; M128-W338 HydrophobicContact SD-CZ3 4.49Å
129C94.1Very high93.7Very high0 Ų057.9 Ų57.90%031%0.308CS..Hα-helixtrans-61.6-37.9173.8-74.20000112.3I125 N126 I132 G133 W134 R139I125-C129 WeakPolarHBondContact O-CB 3.22Å; I125-C129 PolarHBondContact O-N 2.83Å; I125-C129 PolarHBondContact O-SG 3.1Å; I125-C129 VanDerWaalsContact O-SG 3.37Å; N126-C129 PolarHBondContact O-N 3.12Å; C129-I132 PolarHBondContact O-N 3.4Å; C129-G133 PolarHBondContact O-N 3.4Å; C129-G133 VanDerWaalsContact O-N 3.16Å; C129-W134 HydrophobicContact CB-CE3 4.27Å; C129-W134 PolarHBondContact O-N 2.94Å; C129-R139 HydrophobicContact CB-CB 4.05Å; C129-R139 HydrophobicContact CB-CG 3.64Å
130Q93.4Very high93.6Very high120 Ų12054.5 Ų54.556%0.56129%0.29SS*.Hα-helixtrans-63.9-43.8174.5-178.1-177.2-0.600111.7N126 L127 M128 I132 G133N126-Q130 WeakPolarHBondContact O-CB 3.35Å; N126-Q130 PolarHBondContact O-N 2.64Å; L127-Q130 WeakPolarHBondContact O-CB 3.45Å; L127-Q130 PolarHBondContact O-N 3.14Å; M128-Q130 VanDerWaalsContact C-N 3.3Å; M128-Q130 PolarHBondContact O-N 3.41Å; Q130-I132 VanDerWaalsContact C-N 3.26Å; Q130-I132 PolarHBondContact O-N 3.08Å; Q130-G133 WeakPolarHBondContact O-CA 3.17Å; Q130-G133 PolarHBondContact O-N 2.99Å
131I92.1Very high93.5Very high92 Ų9253.6 Ų53.647%0.47229%0.287SS..Hα-helixtrans-61.2-37.1176.9-69160.5000111.4L127 M128 G133 W338 M343L127-I131 HydrophobicContact CD1-CD1 4.22Å; L127-I131 HydrophobicContact CD1-CG1 4.49Å; L127-I131 HydrophobicContact CG-CD1 4.07Å; L127-I131 WeakPolarHBondContact O-CD1 3.1Å; L127-I131 VanDerWaalsContact O-CG1 3.31Å; L127-I131 WeakPolarHBondContact O-CG1 3.18Å; L127-I131 PolarHBondContact O-N 2.84Å; M128-I131 PolarHBondContact O-N 3Å; I131-G133 PolarHBondContact O-N 3.33Å; I131-W338 HydrophobicContact CD1-CH2 3.78Å; I131-W338 HydrophobicContact CD1-CZ2 3.56Å; I131-M343 HydrophobicContact CD1-CE 3.56Å; I131-M343 HydrophobicContact CD1-SD 3.97Å; I131-M343 HydrophobicContact CG1-CE 3.95Å
132I91.5Very high93.4Very high58 Ų5853.4 Ų53.430%0.29729%0.285SS..Hα-helixtrans-69.1-22.1175.1-67.8169.4000111.9M128 C129 Q130 W134 R267 L287M128-I132 WeakPolarHBondContact O-CG1 3.37Å; M128-I132 PolarHBondContact O-N 3.17Å; M128-I132 VanDerWaalsContact O-N 3.08Å; C129-I132 PolarHBondContact O-N 3.4Å; Q130-I132 VanDerWaalsContact C-N 3.26Å; Q130-I132 PolarHBondContact O-N 3.08Å; I132-W134 HydrophobicContact CG2-CD2 4.05Å; I132-W134 HydrophobicContact CG2-CG 4.16Å; I132-W134 HydrophobicContact CG2-CZ2 4.22Å; I132-R267 VanDerWaalsContact CG2-NH2 3.32Å; I132-L287 HydrophobicContact CD1-CD1 3.41Å; I132-L287 VanDerWaalsContact CD1-CD1 3.41Å
133G94Very high93.4Very high59 Ų5948.8 Ų48.861%0.60827%0.265SS*.THydrogen-bonded Turntrans93.121.2-179.100000114.5C129 Q130 I131C129-G133 PolarHBondContact O-N 3.4Å; C129-G133 VanDerWaalsContact O-N 3.16Å; Q130-G133 WeakPolarHBondContact O-CA 3.17Å; Q130-G133 PolarHBondContact O-N 2.99Å; I131-G133 PolarHBondContact O-N 3.33Å
134W94.6Very high93.2Very high30 Ų3043.3 Ų43.311%0.11424%0.24CC..PPolyproline II helixtrans-82.5138.1175.9-66-14.5000111.6C129 I132 R139 R267 L287 R289C129-W134 HydrophobicContact CB-CE3 4.27Å; C129-W134 PolarHBondContact O-N 2.94Å; I132-W134 HydrophobicContact CG2-CD2 4.05Å; I132-W134 HydrophobicContact CG2-CG 4.16Å; I132-W134 HydrophobicContact CG2-CZ2 4.22Å; W134-R139 HydrophobicContact CB-CG 4.48Å; W134-R139 VanDerWaalsContact O-CZ 3.25Å; W134-R139 PolarHBondContact O-NE 3.44Å; W134-R139 PolarHBondContact O-NH2 3.41Å; W134-R267 VanDerWaalsContact CZ2-NH2 3.3Å; W134-L287 HydrophobicContact CH2-CB 4.06Å; W134-L287 HydrophobicContact CZ3-CB 3.75Å; W134-R289 HydrophobicContact CD2-CB 3.95Å; W134-R289 HydrophobicContact CD2-CG 3.83Å; W134-R289 HydrophobicContact CE3-CB 4.04Å; W134-R289 HydrophobicContact CE3-CG 4.24Å; W134-R289 HydrophobicContact CG-CG 4.01Å; W134-R289 HydrophobicContact CH2-CB 3.88Å; W134-R289 HydrophobicContact CZ2-CB 3.75Å; W134-R289 HydrophobicContact CZ2-CG 4.4Å; W134-R289 HydrophobicContact CZ3-CB 4.01Å
135P93.4Very high93.1Very high53 Ų5345 Ų4534%0.34425%0.251SS..PPolyproline II helixtrans-69.5161.7179.631.3-35.7000111.6E138 R139P135-E138 HydrophobicContact CG-CB 4.09Å; P135-E138 HydrophobicContact CG-CG 3.92Å; P135-E138 WeakPolarHBondContact CG-OE1 3.4Å; P135-E138 WeakPolarHBondContact CG-OE2 3.38Å; P135-R139 VanDerWaalsContact O-CG 3.22Å; P135-R139 WeakPolarHBondContact O-CG 3.48Å; P135-R139 PolarHBondContact O-NE 2.81Å
136E88.8Confident92.9Very high172 Ų17245.2 Ų45.280%0.80426%0.256SS*.THydrogen-bonded Turntrans-65146.5171.1-165.6169.7-169.600110.5E138E136-E138 VanDerWaalsContact C-N 3.28Å; E136-E138 PolarHBondContact O-N 2.86Å
137G88.5Confident92.7Very high46 Ų4643.6 Ų43.647%0.47425%0.253SS..THydrogen-bonded Turntrans82-7.7-174.100000115.7
138E91.2Very high92.7Very high75 Ų7544 Ų4435%0.3526%0.262SS..SBendtrans-110.712.1172.3-66.9-179.4-158.100112.5P135 E136 R289 K290P135-E138 HydrophobicContact CG-CB 4.09Å; P135-E138 HydrophobicContact CG-CG 3.92Å; P135-E138 WeakPolarHBondContact CG-OE1 3.4Å; P135-E138 WeakPolarHBondContact CG-OE2 3.38Å; E136-E138 VanDerWaalsContact C-N 3.28Å; E136-E138 PolarHBondContact O-N 2.86Å; E138-R289 HydrophobicContact CB-CG 4.25Å; E138-R289 CarbonylContact O-C 3.49Å; E138-R289 VanDerWaalsContact O-C 3.24Å; E138-R289 VanDerWaalsContact O-CA 3.23Å; E138-R289 WeakPolarHBondContact O-CA 3.26Å; E138-R289 IonicContact OE2-CZ 3.57Å; E138-R289 VanDerWaalsContact OE2-CZ 3.27Å; E138-R289 IonicContact OE2-NE 3.68Å; E138-R289 PolarHBondContact OE2-NE 2.93Å; E138-R289 IonicContact OE2-NH2 2.99Å; E138-R289 PolarHBondContact OE2-NH2 3.43Å; E138-K290 PolarHBondContact O-N 3.17Å
139R93.9Very high92.7Very high48 Ų4844.5 Ų44.518%0.18127%0.265CS..  trans-104.9119.6-168.7-56.2176.7177.9167.61.8110.6C129 W134 P135C129-R139 HydrophobicContact CB-CB 4.05Å; C129-R139 HydrophobicContact CB-CG 3.64Å; W134-R139 HydrophobicContact CB-CG 4.48Å; W134-R139 VanDerWaalsContact O-CZ 3.25Å; W134-R139 PolarHBondContact O-NE 3.44Å; W134-R139 PolarHBondContact O-NH2 3.41Å; P135-R139 VanDerWaalsContact O-CG 3.22Å; P135-R139 WeakPolarHBondContact O-CG 3.48Å; P135-R139 PolarHBondContact O-NE 2.81Å
140D95.1Very high92.7Very high5 Ų544.9 Ų44.93%0.02727%0.267CS..EExtended strand (participates in β ladder)trans-133.1160165.7-153.3-5.3000109.9L287 V288 G292 L294 K321D140-L287 WeakPolarHBondContact O-CA 3.28Å; D140-V288 HydrophobicContact CB-CB 4.31Å; D140-V288 PolarHBondContact N-O 3.38Å; D140-V288 PolarHBondContact O-N 2.7Å; D140-G292 PolarHBondContact OD2-N 3.21Å; D140-G292 VanDerWaalsContact OD2-N 3.12Å; D140-L294 HydrophobicContact CB-CD1 4.41Å; D140-K321 IonicContact OD1-NZ 2.94Å; D140-K321 PolarHBondContact OD1-NZ 3Å
141G95.6Very high92.8Very high4 Ų439.6 Ų39.64%0.04124%0.243CC..EExtended strand (participates in β ladder)trans-177.7168.2176.500000113.7I125 C286I125-G141 WeakPolarHBondContact CD1-O 3.21Å; G141-C286 CarbonylContact C-O 3.55Å; G141-C286 WeakPolarHBondContact CA-O 3.43Å
142I94.8Very high93.1Very high0 Ų035.6 Ų35.60%022%0.224CC..EExtended strand (participates in β ladder)trans-154.4144.8176.2-164.366.1000109.9C286 L294I142-C286 HydrophobicContact CG2-CB 4.24Å; I142-C286 PolarHBondContact N-O 3.16Å; I142-C286 PolarHBondContact O-N 3.16Å; I142-L294 HydrophobicContact CB-CD1 4.28Å; I142-L294 HydrophobicContact CG2-CD1 4.11Å; I142-L294 HydrophobicContact CG2-CD2 4.46Å
143L93.9Very high93.3Very high2 Ų233 Ų331%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-75.9138.1168.1-88.171000110E121 S284 V285 D330 I331E121-L143 HydrophobicContact CG-CD1 3.87Å; E121-L143 WeakPolarHBondContact OE2-CD1 3.37Å; L143-S284 CarbonylContact C-O 3.48Å; L143-S284 WeakPolarHBondContact CA-O 3.43Å; L143-V285 HydrophobicContact CD1-CG1 4.39Å; L143-V285 HydrophobicContact CD1-CG2 3.93Å; L143-V285 HydrophobicContact CG-CG2 4.02Å; L143-D330 HydrophobicContact CD2-CB 3.66Å; L143-I331 HydrophobicContact CD1-CD1 4.28Å; L143-I331 HydrophobicContact CD2-CB 4.1Å; L143-I331 HydrophobicContact CD2-CD1 4.26Å
144C92.5Very high93.5Very high1 Ų130.4 Ų30.41%0.00718%0.183CC..EExtended strand (participates in β ladder)trans-121.1152.1179.8-48.60000111.4G146 L149 S150 S284C144-G146 PolarHBondContact O-N 2.92Å; C144-L149 HydrophobicContact CB-CB 4.48Å; C144-S150 VanDerWaalsContact CB-OG 3.26Å; C144-S150 WeakPolarHBondContact CB-OG 3.31Å; C144-S150 PolarHBondContact SG-OG 2.96Å; C144-S284 PolarHBondContact N-O 2.7Å; C144-S284 WeakPolarHBondContact O-CB 3.45Å
145P91.7Very high93.6Very high40 Ų4029 Ų2926%0.2618%0.178SC..SBendtrans-71.464.5172.332.8-41.2000111.7L149 Q282P145-L149 HydrophobicContact CG-CD2 3.52Å; P145-Q282 PolarHBondContact O-NE2 3.08Å; P145-Q282 PolarHBondContact O-OE1 3.37Å
146G90Very high93.8Very high17 Ų1727.5 Ų27.518%0.17517%0.167CC..SBendtrans100.4153.4179.800000114.7C144 A148 L149 S150C144-G146 PolarHBondContact O-N 2.92Å; G146-A148 PolarHBondContact O-N 2.92Å; G146-L149 PolarHBondContact O-N 2.91Å; G146-L149 VanDerWaalsContact O-N 3.16Å; G146-S150 PolarHBondContact O-N 3.41Å; G146-S150 PolarHBondContact O-OG 3.32Å
147G90.2Very high94.3Very high20 Ų2019.3 Ų19.321%0.20613%0.129CC..Hα-helixtrans-66.3-21.4-175.500000114.7S150 N151 S284G147-S150 PolarHBondContact O-N 3.09Å; G147-N151 WeakPolarHBondContact O-CB 3.43Å; G147-N151 PolarHBondContact O-N 3.5Å; G147-N151 PolarHBondContact O-ND2 3.02Å; G147-S284 VanDerWaalsContact CA-OG 3.25Å; G147-S284 WeakPolarHBondContact CA-OG 3.47Å; G147-S284 PolarHBondContact N-OG 3.23Å
148A92.8Very high94.7Very high47 Ų4717.1 Ų17.139%0.38811%0.106SC..Hα-helixtrans-63.6-43.1173.500000111.3G146 N151 A152G146-A148 PolarHBondContact O-N 2.92Å; A148-N151 PolarHBondContact O-N 3.47Å; A148-A152 PolarHBondContact O-N 3.29Å; A148-A152 VanDerWaalsContact O-N 3.08Å
149L94Very high95Very high46 Ų4614.9 Ų14.924%0.2419%0.094CC..Hα-helixtrans-73.4-35.3175.8-163.667.5000111.1C144 P145 G146 N151 A152 F153C144-L149 HydrophobicContact CB-CB 4.48Å; P145-L149 HydrophobicContact CG-CD2 3.52Å; G146-L149 PolarHBondContact O-N 2.91Å; G146-L149 VanDerWaalsContact O-N 3.16Å; L149-N151 VanDerWaalsContact C-N 3.26Å; L149-N151 PolarHBondContact O-N 2.96Å; L149-A152 HydrophobicContact CD1-CB 4.25Å; L149-A152 CarbonylContact O-C 3.57Å; L149-A152 WeakPolarHBondContact O-CB 3.48Å; L149-A152 PolarHBondContact O-N 2.86Å; L149-A152 VanDerWaalsContact O-N 3.08Å; L149-F153 HydrophobicContact CD2-CD2 4.47Å; L149-F153 HydrophobicContact CD2-CE2 3.82Å; L149-F153 HydrophobicContact CG-CD2 3.94Å; L149-F153 HydrophobicContact CG-CE2 3.77Å; L149-F153 VanDerWaalsContact O-CD2 3.24Å; L149-F153 WeakPolarHBondContact O-CD2 3.4Å; L149-F153 PolarHBondContact O-N 3.46Å
150S94.9Very high95.2Very high8 Ų813.4 Ų13.46%0.0569%0.089CC..Hα-helixtrans-56.2-41.6171.1-55.50000112.1C144 G146 G147 F153 A154 S284C144-S150 VanDerWaalsContact CB-OG 3.26Å; C144-S150 WeakPolarHBondContact CB-OG 3.31Å; C144-S150 PolarHBondContact SG-OG 2.96Å; G146-S150 PolarHBondContact O-N 3.41Å; G146-S150 PolarHBondContact O-OG 3.32Å; G147-S150 PolarHBondContact O-N 3.09Å; S150-F153 WeakPolarHBondContact O-CB 3.13Å; S150-F153 PolarHBondContact O-N 3.38Å; S150-A154 PolarHBondContact O-N 3.23Å; S150-S284 PolarHBondContact OG-OG 2.97Å
151N95.7Very high95.3Very high9 Ų917.9 Ų17.95%0.04811%0.106CC..Hα-helixtrans-65.5-40.4174.2-76.3-19.8000112.4G147 A148 L149 F153 A154 V155 S188 I189 H266 S268G147-N151 WeakPolarHBondContact O-CB 3.43Å; G147-N151 PolarHBondContact O-N 3.5Å; G147-N151 PolarHBondContact O-ND2 3.02Å; A148-N151 PolarHBondContact O-N 3.47Å; L149-N151 VanDerWaalsContact C-N 3.26Å; L149-N151 PolarHBondContact O-N 2.96Å; N151-F153 VanDerWaalsContact C-N 3.35Å; N151-A154 PolarHBondContact O-N 3.29Å; N151-V155 WeakPolarHBondContact O-CG2 3.26Å; N151-V155 PolarHBondContact O-N 3.36Å; N151-V155 VanDerWaalsContact O-N 3.08Å; N151-S188 PolarHBondContact ND2-OG 3.37Å; N151-I189 HydrophobicContact CB-CD1 3.82Å; N151-H266 PolarHBondContact OD1-NE2 3.3Å; N151-S268 PolarHBondContact OD1-OG 3Å
152A97.2Very high95.3Very high8 Ų821 Ų217%0.06612%0.119CC..Hα-helixtrans-63.6-39.8174.500000112.2A148 L149 V155 N156 A192A148-A152 PolarHBondContact O-N 3.29Å; A148-A152 VanDerWaalsContact O-N 3.08Å; L149-A152 HydrophobicContact CD1-CB 4.25Å; L149-A152 CarbonylContact O-C 3.57Å; L149-A152 WeakPolarHBondContact O-CB 3.48Å; L149-A152 PolarHBondContact O-N 2.86Å; L149-A152 VanDerWaalsContact O-N 3.08Å; A152-V155 PolarHBondContact O-N 3.08Å; A152-N156 WeakPolarHBondContact O-CB 3.46Å; A152-N156 PolarHBondContact O-N 3.39Å; A152-A192 HydrophobicContact CB-CB 3.98Å
153F96.7Very high95.4Very high4 Ų423.9 Ų23.92%0.01813%0.131CC..Hα-helixtrans-59-46.1171.5-87.3-73.9000111.4L149 S150 N151 V155 N156 V157 C286 L294 T322 V323L149-F153 HydrophobicContact CD2-CD2 4.47Å; L149-F153 HydrophobicContact CD2-CE2 3.82Å; L149-F153 HydrophobicContact CG-CD2 3.94Å; L149-F153 HydrophobicContact CG-CE2 3.77Å; L149-F153 VanDerWaalsContact O-CD2 3.24Å; L149-F153 WeakPolarHBondContact O-CD2 3.4Å; L149-F153 PolarHBondContact O-N 3.46Å; S150-F153 WeakPolarHBondContact O-CB 3.13Å; S150-F153 PolarHBondContact O-N 3.38Å; N151-F153 VanDerWaalsContact C-N 3.35Å; F153-V155 VanDerWaalsContact C-N 3.35Å; F153-V155 PolarHBondContact O-N 2.91Å; F153-N156 PolarHBondContact O-N 3.44Å; F153-V157 VanDerWaalsContact O-CB 3.29Å; F153-V157 WeakPolarHBondContact O-CB 3.46Å; F153-V157 WeakPolarHBondContact O-CG2 3.43Å; F153-V157 PolarHBondContact O-N 2.91Å; F153-C286 HydrophobicContact CB-CB 4.39Å; F153-L294 HydrophobicContact CD1-CD2 4.29Å; F153-T322 WeakPolarHBondContact CZ-OG1 3.48Å; F153-V323 HydrophobicContact CE1-CG1 4.2Å; F153-V323 HydrophobicContact CE1-CG2 4.47Å; F153-V323 HydrophobicContact CE2-CG2 4.36Å; F153-V323 HydrophobicContact CZ-CB 4.43Å; F153-V323 HydrophobicContact CZ-CG1 4.33Å; F153-V323 HydrophobicContact CZ-CG2 3.79Å
154A97.3Very high95.5Very high4 Ų427.2 Ų27.23%0.03315%0.152CC..Hα-helixtrans-59.1-44.1178.900000112.4S150 N151 A158 F235 H266S150-A154 PolarHBondContact O-N 3.23Å; N151-A154 PolarHBondContact O-N 3.29Å; A154-A158 WeakPolarHBondContact O-CB 3.23Å; A154-A158 PolarHBondContact O-N 3.38Å; A154-F235 HydrophobicContact CB-CE2 4.38Å; A154-H266 HydrophobicContact CB-CB 4.46Å
155V98Very high95.6Very high0 Ų034.5 Ų34.50%018%0.179CC..Hα-helixtrans-65.5-43.4176.1179.60000111N151 A152 F153 A158 R159 M179 A192 L196 I198 F234 F235N151-V155 WeakPolarHBondContact O-CG2 3.26Å; N151-V155 PolarHBondContact O-N 3.36Å; N151-V155 VanDerWaalsContact O-N 3.08Å; A152-V155 PolarHBondContact O-N 3.08Å; F153-V155 VanDerWaalsContact C-N 3.35Å; F153-V155 PolarHBondContact O-N 2.91Å; V155-A158 PolarHBondContact O-N 3.26Å; V155-R159 WeakPolarHBondContact O-CB 3.28Å; V155-R159 PolarHBondContact O-N 3.05Å; V155-M179 HydrophobicContact CG1-CE 4.33Å; V155-M179 HydrophobicContact CG1-SD 4.21Å; V155-M179 HydrophobicContact CG2-CE 3.73Å; V155-A192 HydrophobicContact CG2-CB 4.17Å; V155-L196 HydrophobicContact CB-CD1 3.72Å; V155-L196 HydrophobicContact CG1-CD1 3.55Å; V155-I198 HydrophobicContact CG1-CD1 3.61Å; V155-F234 HydrophobicContact CG1-CZ 4.17Å; V155-F235 HydrophobicContact CG2-CD1 4.49Å; V155-F235 HydrophobicContact CG2-CE1 3.91Å; V155-F235 HydrophobicContact CG2-CE2 4.01Å; V155-F235 HydrophobicContact CG2-CZ 3.63Å
156N97.6Very high95.7Very high22 Ų2233.1 Ų33.112%0.11817%0.171CC..Hα-helixtrans-63.4-43.3178.9-169.436.8000112A152 F153 R159 H160 L196 C297 N298A152-N156 WeakPolarHBondContact O-CB 3.46Å; A152-N156 PolarHBondContact O-N 3.39Å; F153-N156 PolarHBondContact O-N 3.44Å; N156-R159 PolarHBondContact O-N 3.29Å; N156-R159 PolarHBondContact OD1-NH2 3.39Å; N156-H160 WeakPolarHBondContact O-CB 3.39Å; N156-H160 PolarHBondContact O-N 3.26Å; N156-L196 HydrophobicContact CB-CD1 4.1Å; N156-L196 HydrophobicContact CB-CD2 4.18Å; N156-C297 PolarHBondContact ND2-SG 3.37Å; N156-N298 PolarHBondContact ND2-OD1 2.96Å
157V97.7Very high96Very high0 Ų036 Ų360%018%0.179CC..Hα-helixtrans-61.6-47.3176.4164.60000110.9F153 R159 H160 Y161 W264 V288 L293 L294 C297F153-V157 VanDerWaalsContact O-CB 3.29Å; F153-V157 WeakPolarHBondContact O-CB 3.46Å; F153-V157 WeakPolarHBondContact O-CG2 3.43Å; F153-V157 PolarHBondContact O-N 2.91Å; V157-R159 VanDerWaalsContact C-N 3.33Å; V157-R159 PolarHBondContact O-N 2.9Å; V157-H160 PolarHBondContact O-N 3.03Å; V157-Y161 WeakPolarHBondContact O-CB 3.41Å; V157-Y161 PolarHBondContact O-N 2.9Å; V157-W264 HydrophobicContact CG1-CH2 3.78Å; V157-W264 HydrophobicContact CG1-CZ2 3.86Å; V157-W264 HydrophobicContact CG1-CZ3 4.48Å; V157-V288 HydrophobicContact CG1-CG1 3.88Å; V157-V288 HydrophobicContact CG1-CG2 4.2Å; V157-V288 HydrophobicContact CG2-CG2 4.41Å; V157-L293 HydrophobicContact CG1-CD2 3.42Å; V157-L293 VanDerWaalsContact CG1-CD2 3.42Å; V157-L293 HydrophobicContact CG1-CG 3.87Å; V157-L294 HydrophobicContact CG2-CD2 3.63Å; V157-L294 HydrophobicContact CG2-CG 4.42Å; V157-C297 HydrophobicContact CG2-CB 4.5Å
158A98Very high96.1Very high0 Ų040.2 Ų40.20%021%0.205CC..Hα-helixtrans-60.9-42.7176.600000111.8A154 V155 Y161 F162 F234 F235 W264A154-A158 WeakPolarHBondContact O-CB 3.23Å; A154-A158 PolarHBondContact O-N 3.38Å; V155-A158 PolarHBondContact O-N 3.26Å; A158-Y161 WeakPolarHBondContact O-CB 3.31Å; A158-Y161 PolarHBondContact O-N 3.33Å; A158-F162 WeakPolarHBondContact O-CD2 3.27Å; A158-F162 PolarHBondContact O-N 3.31Å; A158-F234 HydrophobicContact CB-CD2 4.16Å; A158-F234 HydrophobicContact CB-CE2 3.99Å; A158-F235 HydrophobicContact CB-CD2 3.57Å; A158-F235 HydrophobicContact CB-CE2 4.23Å; A158-W264 HydrophobicContact CB-CB 3.67Å; A158-W264 HydrophobicContact CB-CD2 3.75Å; A158-W264 HydrophobicContact CB-CE3 4.31Å; A158-W264 HydrophobicContact CB-CG 3.44Å; A158-W264 VanDerWaalsContact CB-CG 3.44Å
159R97.3Very high96.3Very high28 Ų2842.1 Ų42.111%0.10621%0.208CC..Hα-helixtrans-62.4-47.6176-178.6-179.766.8176.7-4111.7V155 N156 V157 Y161 F162 Y163 M171 M174 L177 L196 F234V155-R159 WeakPolarHBondContact O-CB 3.28Å; V155-R159 PolarHBondContact O-N 3.05Å; N156-R159 PolarHBondContact O-N 3.29Å; N156-R159 PolarHBondContact OD1-NH2 3.39Å; V157-R159 VanDerWaalsContact C-N 3.33Å; V157-R159 PolarHBondContact O-N 2.9Å; R159-Y161 VanDerWaalsContact C-N 3.29Å; R159-Y161 PolarHBondContact O-N 3.18Å; R159-F162 PolarHBondContact O-N 2.73Å; R159-Y163 PolarHBondContact O-N 2.75Å; R159-M171 PolarHBondContact NH1-SD 3.09Å; R159-M174 HydrophobicContact CG-CE 4.27Å; R159-M174 HydrophobicContact CG-SD 3.85Å; R159-L177 HydrophobicContact CG-CD1 4.12Å; R159-L196 PolarHBondContact NH1-O 2.92Å; R159-F234 HydrophobicContact CB-CE2 4.09Å
160H97.2Very high96.3Very high16 Ų1641.5 Ų41.57%0.07421%0.213CC..Hα-helixtrans-63.5-36178.4-175.278.9000112.1N156 V157 Y163 P164 C297N156-H160 WeakPolarHBondContact O-CB 3.39Å; N156-H160 PolarHBondContact O-N 3.26Å; V157-H160 PolarHBondContact O-N 3.03Å; H160-Y163 CarbonylContact O-C 3.56Å; H160-P164 WeakPolarHBondContact O-CA 3.49Å; H160-P164 WeakPolarHBondContact O-CB 3.16Å; H160-P164 WeakPolarHBondContact O-CD 3.45Å; H160-P164 VanDerWaalsContact O-N 3.07Å; H160-C297 HydrophobicContact CB-CB 4.07Å
161Y97.2Very high96.2Very high99 Ų9943.8 Ų43.839%0.38822%0.223SC..Hα-helixtrans-58.5-47.8176.5178.4-88.6000112.4V157 A158 R159 W264 K290 L293V157-Y161 WeakPolarHBondContact O-CB 3.41Å; V157-Y161 PolarHBondContact O-N 2.9Å; A158-Y161 WeakPolarHBondContact O-CB 3.31Å; A158-Y161 PolarHBondContact O-N 3.33Å; R159-Y161 VanDerWaalsContact C-N 3.29Å; R159-Y161 PolarHBondContact O-N 3.18Å; Y161-W264 HydrophobicContact CD1-CE3 4.37Å; Y161-W264 HydrophobicContact CD2-CE3 4.45Å; Y161-W264 AromaticContact CD2-CZ3 3.82Å; Y161-W264 HydrophobicContact CD2-CZ3 3.82Å; Y161-W264 HydrophobicContact CE2-CZ3 4.34Å; Y161-W264 HydrophobicContact CG-CE3 4.13Å; Y161-W264 AromaticContact CG-CZ3 3.91Å; Y161-W264 HydrophobicContact CG-CZ3 3.91Å; Y161-K290 HydrophobicContact CD2-CD 4.02Å; Y161-K290 HydrophobicContact CE2-CD 3.64Å; Y161-L293 HydrophobicContact CD2-CD1 4.41Å; Y161-L293 HydrophobicContact CD2-CD2 3.91Å
162F97Very high96Very high71 Ų7150 Ų5031%0.31126%0.261SS..Hα-helixtrans-82.4-32.5-179.4-69.2-68.6000113.1A158 R159 F234 G262 W264A158-F162 WeakPolarHBondContact O-CD2 3.27Å; A158-F162 PolarHBondContact O-N 3.31Å; R159-F162 PolarHBondContact O-N 2.73Å; F162-F234 HydrophobicContact CD2-CB 4.01Å; F162-F234 HydrophobicContact CD2-CD2 4.27Å; F162-F234 HydrophobicContact CE2-CB 4.28Å; F162-F234 WeakPolarHBondContact CE2-O 3.47Å; F162-G262 WeakPolarHBondContact CE1-O 3.31Å; F162-G262 WeakPolarHBondContact CZ-O 3.43Å; F162-W264 HydrophobicContact CE2-CB 3.98Å
163Y96.5Very high95.7Very high60 Ų6052.5 Ų52.524%0.23527%0.274CS..  trans-134.465.3-173.1-60.5-79.8000111.9R159 H160 R165 C166 M174 P175 L177 I232R159-Y163 PolarHBondContact O-N 2.75Å; H160-Y163 CarbonylContact O-C 3.56Å; Y163-R165 PolarHBondContact O-N 2.96Å; Y163-R165 VanDerWaalsContact O-N 3.09Å; Y163-C166 VanDerWaalsContact O-CB 3.26Å; Y163-C166 WeakPolarHBondContact O-CB 3.35Å; Y163-C166 PolarHBondContact O-N 3.04Å; Y163-C166 PolarHBondContact O-SG 3Å; Y163-M174 WeakPolarHBondContact CB-SD 3.38Å; Y163-M174 HydrophobicContact CD1-CG 4.03Å; Y163-M174 HydrophobicContact CD2-CG 4.45Å; Y163-M174 HydrophobicContact CD2-SD 4.02Å; Y163-M174 HydrophobicContact CG-CG 3.82Å; Y163-M174 HydrophobicContact CG-SD 3.77Å; Y163-P175 HydrophobicContact CE1-CG 3.93Å; Y163-P175 WeakPolarHBondContact OH-CG 3.11Å; Y163-L177 HydrophobicContact CD2-CD2 4.07Å; Y163-L177 HydrophobicContact CE2-CD2 3.47Å; Y163-L177 VanDerWaalsContact CE2-CD2 3.47Å; Y163-I232 WeakPolarHBondContact OH-CG2 3.34Å
164P96Very high95.5Very high72 Ų7253.4 Ų53.447%0.46828%0.279SS..THydrogen-bonded Turntrans-60.5-29.5-172.422.3-33.8000113.5H160 C166 K167H160-P164 WeakPolarHBondContact O-CA 3.49Å; H160-P164 WeakPolarHBondContact O-CB 3.16Å; H160-P164 WeakPolarHBondContact O-CD 3.45Å; H160-P164 VanDerWaalsContact O-N 3.07Å; P164-C166 PolarHBondContact O-N 2.84Å; P164-K167 WeakPolarHBondContact O-CB 3.19Å; P164-K167 PolarHBondContact O-N 3.43Å
165R95.1Very high95.4Very high153 Ų15355.7 Ų55.758%0.57729%0.293SS*.THydrogen-bonded Turntrans-59.7-24.8175.2-77.6176.747.7153.4-0.6113.8Y163 K167 S168 L169 D173Y163-R165 PolarHBondContact O-N 2.96Å; Y163-R165 VanDerWaalsContact O-N 3.09Å; R165-K167 PolarHBondContact O-N 3.39Å; R165-K167 VanDerWaalsContact O-N 3.09Å; R165-S168 PolarHBondContact O-N 2.72Å; R165-L169 HydrophobicContact CB-CD1 4.4Å; R165-L169 PolarHBondContact O-N 3.14Å; R165-D173 WeakPolarHBondContact CB-OD2 3.41Å; R165-D173 IonicContact CZ-OD1 3.77Å; R165-D173 IonicContact CZ-OD2 2.75Å; R165-D173 VanDerWaalsContact CZ-OD2 3.3Å; R165-D173 IonicContact NE-OD2 3.79Å; R165-D173 PolarHBondContact NE-OD2 2.9Å; R165-D173 VanDerWaalsContact NH2-CG 3.29Å; R165-D173 IonicContact NH2-OD1 2.97Å; R165-D173 PolarHBondContact NH2-OD1 3.31Å; R165-D173 IonicContact NH2-OD2 2.73Å; R165-D173 PolarHBondContact NH2-OD2 3.31Å
166C94.3Very high95.3Very high12 Ų1261.6 Ų61.68%0.08132%0.315CS..Hα-helixtrans-59.8-24.4179.380.80000112.7Y163 P164 S168 G170 M174Y163-C166 VanDerWaalsContact O-CB 3.26Å; Y163-C166 WeakPolarHBondContact O-CB 3.35Å; Y163-C166 PolarHBondContact O-N 3.04Å; Y163-C166 PolarHBondContact O-SG 3Å; P164-C166 PolarHBondContact O-N 2.84Å; C166-S168 VanDerWaalsContact C-N 3.29Å; C166-S168 PolarHBondContact O-N 3.08Å; C166-G170 VanDerWaalsContact O-CA 3.28Å; C166-G170 WeakPolarHBondContact O-CA 3.19Å; C166-G170 PolarHBondContact O-N 3.41Å; C166-M174 HydrophobicContact CB-CE 3.31Å; C166-M174 HydrophobicContact CB-CG 4.02Å; C166-M174 HydrophobicContact CB-SD 3.42Å; C166-M174 WeakPolarHBondContact CB-SD 3.41Å
167K94.5Very high95.4Very high77 Ų7760.7 Ų60.734%0.33531%0.31SS..Hα-helixtrans-59.4-41.3176-175179.4-177.9-179.90111.7P164 R165 Q296 C297 Q299P164-K167 WeakPolarHBondContact O-CB 3.19Å; P164-K167 PolarHBondContact O-N 3.43Å; R165-K167 PolarHBondContact O-N 3.39Å; R165-K167 VanDerWaalsContact O-N 3.09Å; K167-Q296 PolarHBondContact NZ-O 2.78Å; K167-C297 WeakPolarHBondContact CE-O 3.28Å; K167-Q299 VanDerWaalsContact CE-O 3.32Å; K167-Q299 WeakPolarHBondContact CE-O 3.44Å; K167-Q299 VanDerWaalsContact NZ-CG 3.27Å; K167-Q299 PolarHBondContact NZ-O 3.49Å
168S94.2Very high95.4Very high108 Ų10860.7 Ų60.776%0.75531%0.31SS*.Hα-helixtrans-94-36.3-178.7-57.50000112.9R165 C166R165-S168 PolarHBondContact O-N 2.72Å; C166-S168 VanDerWaalsContact C-N 3.29Å; C166-S168 PolarHBondContact O-N 3.08Å
169L95.2Very high95.4Very high87 Ų8760.7 Ų60.746%0.45531%0.31SS..Hα-helixtrans-102.1-7.6-170.2-59.7178.3000114R165 T172 D173R165-L169 HydrophobicContact CB-CD1 4.4Å; R165-L169 PolarHBondContact O-N 3.14Å; L169-T172 PolarHBondContact O-OG1 2.91Å; L169-D173 HydrophobicContact CB-CB 3.62Å; L169-D173 HydrophobicContact CD1-CB 4.18Å; L169-D173 VanDerWaalsContact CD1-OD2 3.26Å; L169-D173 WeakPolarHBondContact CD1-OD2 3.39Å
170G94.5Very high95.5Very high33 Ų3359.3 Ų59.334%0.3431%0.305SS..  trans75.9-172-179.700000114.3C166 T172 D173C166-G170 VanDerWaalsContact O-CA 3.28Å; C166-G170 WeakPolarHBondContact O-CA 3.19Å; C166-G170 PolarHBondContact O-N 3.41Å; G170-T172 PolarHBondContact O-N 3.45Å; G170-D173 PolarHBondContact O-N 3.45Å
171M93.5Very high95.6Very high57 Ų5758.6 Ų58.628%0.28130%0.302SS..G310 helixtrans-67.1-21.2-177.7-68.1-65.7-54.400113.6R159 D173 M174 I198R159-M171 PolarHBondContact NH1-SD 3.09Å; M171-D173 PolarHBondContact O-N 3.19Å; M171-M174 HydrophobicContact CB-CE 4.28Å; M171-M174 HydrophobicContact CE-CE 3.64Å; M171-M174 HydrophobicContact CG-CE 4.17Å; M171-M174 PolarHBondContact O-N 2.7Å; M171-M174 HydrophobicContact SD-CE 3.13Å; M171-M174 WeakPolarHBondContact SD-CE 3.3Å; M171-I198 HydrophobicContact CE-CG1 4.01Å
172T92.2Very high95.5Very high138 Ų13854 Ų5485%0.84728%0.284SS*.G310 helixtrans-68.7-19.9-17946.80000113.7L169 G170 M174L169-T172 PolarHBondContact O-OG1 2.91Å; G170-T172 PolarHBondContact O-N 3.45Å; T172-M174 VanDerWaalsContact C-N 3.3Å
173D90.4Very high95.5Very high62 Ų6252.5 Ų52.533%0.33229%0.285SS..G310 helixtrans-89.87176-166.460.4000112.6R165 L169 G170 M171R165-D173 WeakPolarHBondContact CB-OD2 3.41Å; R165-D173 IonicContact CZ-OD1 3.77Å; R165-D173 IonicContact CZ-OD2 2.75Å; R165-D173 VanDerWaalsContact CZ-OD2 3.3Å; R165-D173 IonicContact NE-OD2 3.79Å; R165-D173 PolarHBondContact NE-OD2 2.9Å; R165-D173 VanDerWaalsContact NH2-CG 3.29Å; R165-D173 IonicContact NH2-OD1 2.97Å; R165-D173 PolarHBondContact NH2-OD1 3.31Å; R165-D173 IonicContact NH2-OD2 2.73Å; R165-D173 PolarHBondContact NH2-OD2 3.31Å; L169-D173 HydrophobicContact CB-CB 3.62Å; L169-D173 HydrophobicContact CD1-CB 4.18Å; L169-D173 VanDerWaalsContact CD1-OD2 3.26Å; L169-D173 WeakPolarHBondContact CD1-OD2 3.39Å; G170-D173 PolarHBondContact O-N 3.45Å; M171-D173 PolarHBondContact O-N 3.19Å
174M91.6Very high95.4Very high23 Ų2350.5 Ų50.511%0.11328%0.278CS..SBendtrans-116.4151.8-179.4-76.6-175.7-66.700112R159 Y163 C166 M171 T172 L177R159-M174 HydrophobicContact CG-CE 4.27Å; R159-M174 HydrophobicContact CG-SD 3.85Å; Y163-M174 WeakPolarHBondContact CB-SD 3.38Å; Y163-M174 HydrophobicContact CD1-CG 4.03Å; Y163-M174 HydrophobicContact CD2-CG 4.45Å; Y163-M174 HydrophobicContact CD2-SD 4.02Å; Y163-M174 HydrophobicContact CG-CG 3.82Å; Y163-M174 HydrophobicContact CG-SD 3.77Å; C166-M174 HydrophobicContact CB-CE 3.31Å; C166-M174 HydrophobicContact CB-CG 4.02Å; C166-M174 HydrophobicContact CB-SD 3.42Å; C166-M174 WeakPolarHBondContact CB-SD 3.41Å; M171-M174 HydrophobicContact CB-CE 4.28Å; M171-M174 HydrophobicContact CE-CE 3.64Å; M171-M174 HydrophobicContact CG-CE 4.17Å; M171-M174 PolarHBondContact O-N 2.7Å; M171-M174 HydrophobicContact SD-CE 3.13Å; M171-M174 WeakPolarHBondContact SD-CE 3.3Å; T172-M174 VanDerWaalsContact C-N 3.3Å; M174-L177 HydrophobicContact SD-CD1 4.02Å
175P95.3Very high95.3Very high51 Ų5148.1 Ų48.133%0.33126%0.263SS..  trans-65.1168.9165.731.2-34.5000110.4Y163 L177 I232Y163-P175 HydrophobicContact CE1-CG 3.93Å; Y163-P175 WeakPolarHBondContact OH-CG 3.11Å; P175-L177 HydrophobicContact CG-CD2 4.18Å; P175-L177 PolarHBondContact O-N 2.81Å; P175-I232 HydrophobicContact CB-CG1 3.72Å; P175-I232 HydrophobicContact CG-CB 4.2Å; P175-I232 HydrophobicContact CG-CG1 3.6Å
176R96.9Very high95.2Very high125 Ų12542.7 Ų42.747%0.47224%0.244SC..  trans-65.4109.1172.1-175176.3170.1-153.1-8109.1N202 C231 I232R176-N202 PolarHBondContact NE-OD1 2.64Å; R176-N202 PolarHBondContact NH2-OD1 2.98Å; R176-C231 VanDerWaalsContact CD-SG 3.55Å; R176-C231 VanDerWaalsContact CZ-SG 3.57Å; R176-C231 PolarHBondContact NE-SG 3.34Å; R176-C231 CarbonylContact O-C 3.51Å; R176-C231 WeakPolarHBondContact O-CA 3.07Å; R176-I232 PolarHBondContact O-N 2.99Å
177L98.1Very high95.2Very high2 Ų250.5 Ų50.51%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-81.4149.1-178.9-60-176.7000111.2R159 Y163 M174 P175 I198 N202 I232 F234R159-L177 HydrophobicContact CG-CD1 4.12Å; Y163-L177 HydrophobicContact CD2-CD2 4.07Å; Y163-L177 HydrophobicContact CE2-CD2 3.47Å; Y163-L177 VanDerWaalsContact CE2-CD2 3.47Å; M174-L177 HydrophobicContact SD-CD1 4.02Å; P175-L177 HydrophobicContact CG-CD2 4.18Å; P175-L177 PolarHBondContact O-N 2.81Å; L177-I198 HydrophobicContact CB-CG2 4.5Å; L177-N202 VanDerWaalsContact O-CB 3.3Å; L177-N202 WeakPolarHBondContact O-CB 3.44Å; L177-I232 WeakPolarHBondContact CA-O 3.45Å; L177-I232 HydrophobicContact CD2-CB 4.29Å; L177-F234 HydrophobicContact CB-CD1 3.75Å; L177-F234 HydrophobicContact CB-CE1 3.78Å; L177-F234 HydrophobicContact CD1-CD1 4.16Å; L177-F234 HydrophobicContact CD1-CE1 4.07Å; L177-F234 HydrophobicContact CD1-CZ 4.36Å; L177-F234 HydrophobicContact CD2-CD1 4.41Å; L177-F234 HydrophobicContact CG-CD1 4.33Å; L177-F234 HydrophobicContact CG-CE1 4.49Å
178A98.5Very high95.3Very high0 Ų047.1 Ų47.10%026%0.26CS..EExtended strand (participates in β ladder)trans-123.6131.7171.600000110.4F180 I204 C231 I232 P233 F234A178-F180 HydrophobicContact CB-CE2 4.25Å; A178-F180 HydrophobicContact CB-CZ 4.03Å; A178-I204 HydrophobicContact CB-CD1 3.68Å; A178-C231 HydrophobicContact CB-CB 3.88Å; A178-I232 PolarHBondContact N-O 3.31Å; A178-P233 WeakPolarHBondContact O-CA 3.49Å; A178-F234 VanDerWaalsContact O-CD1 3.25Å; A178-F234 WeakPolarHBondContact O-CD1 3.32Å; A178-F234 PolarHBondContact O-N 3.08Å
179M98.6Very high95.5Very high0 Ų042 Ų420%022%0.224CC..EExtended strand (participates in β ladder)trans-124149.7174.961.7-178.8-68.100111.1V155 I189 A193 I198 N202 C203 I204 F234 F235V155-M179 HydrophobicContact CG1-CE 4.33Å; V155-M179 HydrophobicContact CG1-SD 4.21Å; V155-M179 HydrophobicContact CG2-CE 3.73Å; M179-I189 HydrophobicContact CE-CG2 3.44Å; M179-I189 VanDerWaalsContact CE-CG2 3.44Å; M179-A193 HydrophobicContact SD-CB 3.61Å; M179-I198 HydrophobicContact SD-CD1 4.26Å; M179-N202 WeakPolarHBondContact CG-O 3.44Å; M179-N202 PolarHBondContact N-O 3.21Å; M179-C203 HydrophobicContact CG-CB 3.76Å; M179-C203 CarbonylContact O-C 3.54Å; M179-C203 WeakPolarHBondContact O-CA 3.41Å; M179-C203 HydrophobicContact SD-CB 4.18Å; M179-I204 WeakPolarHBondContact O-CD1 3.26Å; M179-I204 PolarHBondContact O-N 2.88Å; M179-F234 HydrophobicContact CB-CE1 3.83Å; M179-F234 HydrophobicContact CB-CZ 4.32Å; M179-F235 CarbonylContact C-O 3.45Å; M179-F235 WeakPolarHBondContact CA-O 3.5Å; M179-F235 HydrophobicContact CB-CB 4.02Å; M179-F235 HydrophobicContact CB-CD1 4.01Å; M179-F235 HydrophobicContact CB-CG 4.45Å; M179-F235 HydrophobicContact CE-CD1 3.81Å; M179-F235 HydrophobicContact CE-CE1 3.84Å
180F98.9Very high95.6Very high0 Ų043.2 Ų43.20%022%0.222CC..EExtended strand (participates in β ladder)trans-123141-171.6-52-92.4000110.8A178 I204 V206 L219 A222 I223 S226 P233 F235 V236 N237A178-F180 HydrophobicContact CB-CE2 4.25Å; A178-F180 HydrophobicContact CB-CZ 4.03Å; F180-I204 WeakPolarHBondContact CA-O 3.46Å; F180-I204 HydrophobicContact CD1-CB 3.78Å; F180-I204 HydrophobicContact CD1-CD1 4.28Å; F180-I204 HydrophobicContact CD1-CG1 4.38Å; F180-I204 HydrophobicContact CD1-CG2 4.19Å; F180-I204 HydrophobicContact CE1-CB 3.98Å; F180-I204 HydrophobicContact CE1-CD1 3.83Å; F180-I204 HydrophobicContact CE1-CG1 4.08Å; F180-I204 HydrophobicContact CE1-CG2 4.39Å; F180-I204 HydrophobicContact CZ-CD1 4.12Å; F180-V206 HydrophobicContact CB-CG2 4.1Å; F180-V206 HydrophobicContact CD1-CG2 4.44Å; F180-L219 HydrophobicContact CB-CD1 3.63Å; F180-L219 HydrophobicContact CD1-CD1 4.22Å; F180-L219 HydrophobicContact CG-CD1 3.88Å; F180-A222 HydrophobicContact CD1-CB 3.98Å; F180-A222 HydrophobicContact CE1-CB 3.87Å; F180-I223 HydrophobicContact CD1-CG1 4.39Å; F180-I223 HydrophobicContact CD2-CG1 4.16Å; F180-I223 HydrophobicContact CE1-CG1 4.06Å; F180-I223 HydrophobicContact CE2-CG1 3.88Å; F180-I223 HydrophobicContact CG-CG1 4.45Å; F180-I223 HydrophobicContact CZ-CB 4.39Å; F180-I223 HydrophobicContact CZ-CG1 3.81Å; F180-S226 WeakPolarHBondContact CZ-OG 3.5Å; F180-P233 HydrophobicContact CE2-CB 3.72Å; F180-P233 HydrophobicContact CE2-CG 4.3Å; F180-P233 HydrophobicContact CZ-CB 4.11Å; F180-P233 HydrophobicContact CZ-CG 4.19Å; F180-F235 WeakPolarHBondContact CD2-O 3.37Å; F180-F235 PolarHBondContact N-O 3.33Å; F180-V236 HydrophobicContact CB-CG1 4.47Å; F180-V236 HydrophobicContact CB-CG2 4.24Å; F180-V236 HydrophobicContact CD2-CG2 4.13Å; F180-V236 CarbonylContact O-C 3.39Å; F180-V236 WeakPolarHBondContact O-CA 3.38Å; F180-N237 PolarHBondContact O-N 2.84Å
181T98.5Very high95.7Very high1 Ų143.4 Ų43.41%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-150.5154.1177.3-166.30000111.1S185 I189 I204 V205 V206 N237T181-S185 WeakPolarHBondContact CG2-OG 3.44Å; T181-S185 WeakPolarHBondContact OG1-CB 3.42Å; T181-S185 PolarHBondContact OG1-OG 3.3Å; T181-I189 HydrophobicContact CG2-CG2 4.03Å; T181-I204 PolarHBondContact N-O 3.36Å; T181-V205 WeakPolarHBondContact O-CA 3.1Å; T181-V206 PolarHBondContact O-N 3.08Å; T181-N237 PolarHBondContact OG1-ND2 2.94Å
182S96.8Very high96Very high1 Ų140.9 Ų40.91%0.00721%0.212CC..EExtended strand (participates in β ladder)trans-61.7145.3177172.40000111.6D184 S185 V208S182-D184 PolarHBondContact O-N 2.74Å; S182-D184 PolarHBondContact OG-N 2.82Å; S182-S185 WeakPolarHBondContact O-CB 3.31Å; S182-S185 PolarHBondContact O-N 2.79Å; S182-S185 PolarHBondContact O-OG 2.76Å; S182-V208 WeakPolarHBondContact OG-CG1 3.41Å
183A96.1Very high96.2Very high41 Ų4134.3 Ų34.334%0.33917%0.172SC..THydrogen-bonded Turntrans-54.2-30.8170.300000113.3V205 V206 V208A183-V205 HydrophobicContact CB-CG1 3.71Å; A183-V206 WeakPolarHBondContact CB-O 3.31Å; A183-V206 PolarHBondContact N-O 3.47Å; A183-V208 HydrophobicContact CB-CG1 4.01Å; A183-V208 HydrophobicContact CB-CG2 4.26Å
184D93.6Very high96.6Very high17 Ų1734 Ų349%0.09118%0.178CC..THydrogen-bonded Turntrans-98.816.1179.6-66.35000112.1S182 V208 G212 Y245 K428S182-D184 PolarHBondContact O-N 2.74Å; S182-D184 PolarHBondContact OG-N 2.82Å; D184-V208 HydrophobicContact CB-CG1 4.44Å; D184-G212 WeakPolarHBondContact OD2-CA 3.3Å; D184-Y245 WeakPolarHBondContact OD2-CD2 3.47Å; D184-K428 IonicContact OD1-NZ 3.89Å; D184-K428 PolarHBondContact OD1-NZ 3.42Å; D184-K428 IonicContact OD2-NZ 3.97Å
185S93.8Very high96.9Very high22 Ų2238.9 Ų38.915%0.15420%0.204CC..SBendtrans-72158.3175.368.20000113.1T181 S182 Y187T181-S185 WeakPolarHBondContact CG2-OG 3.44Å; T181-S185 WeakPolarHBondContact OG1-CB 3.42Å; T181-S185 PolarHBondContact OG1-OG 3.3Å; S182-S185 WeakPolarHBondContact O-CB 3.31Å; S182-S185 PolarHBondContact O-N 2.79Å; S182-S185 PolarHBondContact O-OG 2.76Å; S185-Y187 PolarHBondContact O-N 2.81Å
186H94Very high97Very high39 Ų3937.9 Ų37.918%0.18120%0.196CC..  trans-66.8134.3176.1-171.7-100.4000110.5S188 I189 Y270H186-S188 WeakPolarHBondContact ND1-CB 3.44Å; H186-S188 PolarHBondContact ND1-N 3.4Å; H186-S188 PolarHBondContact ND1-OG 2.93Å; H186-S188 PolarHBondContact O-N 3Å; H186-I189 PolarHBondContact O-N 3.47Å; H186-I189 VanDerWaalsContact O-N 3.1Å; H186-Y270 HydrophobicContact CB-CD1 4.13Å; H186-Y270 HydrophobicContact CB-CD2 4.4Å; H186-Y270 HydrophobicContact CB-CE1 3.48Å; H186-Y270 VanDerWaalsContact CB-CE1 3.48Å; H186-Y270 HydrophobicContact CB-CE2 3.77Å; H186-Y270 WeakPolarHBondContact CB-OH 3.42Å; H186-Y270 PolarHBondContact N-OH 3.36Å
187Y94.8Very high97Very high176 Ų17634.2 Ų34.269%0.6920%0.196SC*.THydrogen-bonded Turntrans-51.9-22.7-177.468-93.8000114.2S185 I189 R190 G191S185-Y187 PolarHBondContact O-N 2.81Å; Y187-I189 PolarHBondContact O-N 3.34Å; Y187-I189 VanDerWaalsContact O-N 3.14Å; Y187-R190 PolarHBondContact O-N 2.99Å; Y187-G191 PolarHBondContact O-N 2.82Å
188S96.2Very high96.9Very high7 Ų734.4 Ų34.45%0.04920%0.197CC..Hα-helixtrans-58.1-23.8177.761.80000114.5N151 H186 G191 A192N151-S188 PolarHBondContact ND2-OG 3.37Å; H186-S188 WeakPolarHBondContact ND1-CB 3.44Å; H186-S188 PolarHBondContact ND1-N 3.4Å; H186-S188 PolarHBondContact ND1-OG 2.93Å; H186-S188 PolarHBondContact O-N 3Å; S188-G191 PolarHBondContact O-N 3.08Å; S188-A192 WeakPolarHBondContact O-CB 3.44Å; S188-A192 PolarHBondContact O-N 3.08Å
189I97.6Very high96.9Very high0 Ų035.8 Ų35.80%021%0.211CC..Hα-helixtrans-68.5-46.7178-64.6-72.2000110.2N151 M179 T181 H186 Y187 G191 A192 A193 N237N151-I189 HydrophobicContact CB-CD1 3.82Å; M179-I189 HydrophobicContact CE-CG2 3.44Å; M179-I189 VanDerWaalsContact CE-CG2 3.44Å; T181-I189 HydrophobicContact CG2-CG2 4.03Å; H186-I189 PolarHBondContact O-N 3.47Å; H186-I189 VanDerWaalsContact O-N 3.1Å; Y187-I189 PolarHBondContact O-N 3.34Å; Y187-I189 VanDerWaalsContact O-N 3.14Å; I189-G191 VanDerWaalsContact C-N 3.32Å; I189-G191 PolarHBondContact O-N 3.44Å; I189-A192 WeakPolarHBondContact O-CB 2.94Å; I189-A192 PolarHBondContact O-N 3.25Å; I189-A193 PolarHBondContact O-N 2.7Å; I189-A193 VanDerWaalsContact O-N 3.09Å; I189-N237 HydrophobicContact CD1-CB 3.95Å; I189-N237 HydrophobicContact CG1-CB 4.31Å; I189-N237 HydrophobicContact CG2-CB 4.41Å
190R97.7Very high96.8Very high113 Ų11338.1 Ų38.143%0.42623%0.226SC..Hα-helixtrans-64.9-37.9171.7-65.2-177.375.5-174.62.6111.5Y187 A192 A193 A194 V200 C203Y187-R190 PolarHBondContact O-N 2.99Å; R190-A192 VanDerWaalsContact C-N 3.32Å; R190-A192 PolarHBondContact O-N 3.36Å; R190-A193 WeakPolarHBondContact O-CB 3.49Å; R190-A193 PolarHBondContact O-N 3.11Å; R190-A194 PolarHBondContact O-N 2.92Å; R190-A194 VanDerWaalsContact O-N 3.09Å; R190-V200 HydrophobicContact CB-CG1 4.35Å; R190-V200 VanDerWaalsContact NH2-CG1 3.34Å; R190-C203 HydrophobicContact CG-CB 4.28Å
191G97.7Very high96.8Very high37 Ų3745 Ų4538%0.38126%0.262SS..Hα-helixtrans-60-39.3172.700000113.1Y187 S188 I189 A194 L195Y187-G191 PolarHBondContact O-N 2.82Å; S188-G191 PolarHBondContact O-N 3.08Å; I189-G191 VanDerWaalsContact C-N 3.32Å; I189-G191 PolarHBondContact O-N 3.44Å; G191-A194 PolarHBondContact O-N 3.26Å; G191-L195 VanDerWaalsContact O-CB 3.31Å; G191-L195 WeakPolarHBondContact O-CB 3.43Å; G191-L195 PolarHBondContact O-N 3.18Å
192A97.9Very high96.7Very high3 Ų346 Ų463%0.02527%0.268CS..Hα-helixtrans-66.5-39.3174.500000111.8A152 V155 S188 I189 R190 A194 L195 L196A152-A192 HydrophobicContact CB-CB 3.98Å; V155-A192 HydrophobicContact CG2-CB 4.17Å; S188-A192 WeakPolarHBondContact O-CB 3.44Å; S188-A192 PolarHBondContact O-N 3.08Å; I189-A192 WeakPolarHBondContact O-CB 2.94Å; I189-A192 PolarHBondContact O-N 3.25Å; R190-A192 VanDerWaalsContact C-N 3.32Å; R190-A192 PolarHBondContact O-N 3.36Å; A192-A194 VanDerWaalsContact C-N 3.33Å; A192-A194 PolarHBondContact O-N 3.22Å; A192-L195 PolarHBondContact O-N 2.8Å; A192-L196 VanDerWaalsContact O-CB 3.3Å; A192-L196 WeakPolarHBondContact O-CB 3.43Å; A192-L196 VanDerWaalsContact O-CG 3.29Å; A192-L196 WeakPolarHBondContact O-CG 3.45Å; A192-L196 PolarHBondContact O-N 2.88Å
193A98.2Very high96.8Very high0 Ų046.2 Ų46.20%027%0.269CS..Hα-helixtrans-59.3-43.8174.700000112.1M179 I189 R190 G197 I198 G199 C203M179-A193 HydrophobicContact SD-CB 3.61Å; I189-A193 PolarHBondContact O-N 2.7Å; I189-A193 VanDerWaalsContact O-N 3.09Å; R190-A193 WeakPolarHBondContact O-CB 3.49Å; R190-A193 PolarHBondContact O-N 3.11Å; A193-G197 PolarHBondContact O-N 2.97Å; A193-I198 HydrophobicContact CB-CB 4.41Å; A193-I198 PolarHBondContact O-N 3.18Å; A193-G199 PolarHBondContact O-N 3.24Å; A193-C203 HydrophobicContact CB-CB 3.88Å
194A97.9Very high97Very high55 Ų5546.4 Ų46.446%0.45526%0.264SS..Hα-helixtrans-62.4-52.417300000111.8R190 G191 A192 L196 G197 V200R190-A194 PolarHBondContact O-N 2.92Å; R190-A194 VanDerWaalsContact O-N 3.09Å; G191-A194 PolarHBondContact O-N 3.26Å; A192-A194 VanDerWaalsContact C-N 3.33Å; A192-A194 PolarHBondContact O-N 3.22Å; A194-L196 VanDerWaalsContact C-N 3.29Å; A194-L196 PolarHBondContact O-N 2.85Å; A194-G197 PolarHBondContact O-N 3.12Å; A194-V200 HydrophobicContact CB-CG2 3.7Å
195L97.6Very high97.2Very high127 Ų12748.6 Ų48.667%0.66528%0.278SS*.Hα-helixtrans-59.9-38.9-175.4179.863.1000112.5G191 A192 G197G191-L195 VanDerWaalsContact O-CB 3.31Å; G191-L195 WeakPolarHBondContact O-CB 3.43Å; G191-L195 PolarHBondContact O-N 3.18Å; A192-L195 PolarHBondContact O-N 2.8Å; L195-G197 VanDerWaalsContact C-N 3.32Å
196L97Very high97.4Very high30 Ų3047.5 Ų47.516%0.15727%0.27CS..THydrogen-bonded Turntrans-86.90.4-176-64.1173000113.2V155 N156 R159 A192 A194 I198V155-L196 HydrophobicContact CB-CD1 3.72Å; V155-L196 HydrophobicContact CG1-CD1 3.55Å; N156-L196 HydrophobicContact CB-CD1 4.1Å; N156-L196 HydrophobicContact CB-CD2 4.18Å; R159-L196 PolarHBondContact NH1-O 2.92Å; A192-L196 VanDerWaalsContact O-CB 3.3Å; A192-L196 WeakPolarHBondContact O-CB 3.43Å; A192-L196 VanDerWaalsContact O-CG 3.29Å; A192-L196 WeakPolarHBondContact O-CG 3.45Å; A192-L196 PolarHBondContact O-N 2.88Å; A194-L196 VanDerWaalsContact C-N 3.29Å; A194-L196 PolarHBondContact O-N 2.85Å; L196-I198 VanDerWaalsContact C-N 3.33Å; L196-I198 HydrophobicContact CB-CD1 4.43Å
197G96.8Very high97.6Very high47 Ų4749.1 Ų49.149%0.48528%0.284SS..THydrogen-bonded Turntrans77.415.1179.400000114.6A193 A194 L195A193-G197 PolarHBondContact O-N 2.97Å; A194-G197 PolarHBondContact O-N 3.12Å; L195-G197 VanDerWaalsContact C-N 3.32Å
198I97.4Very high97.7Very high6 Ų641.8 Ų41.83%0.03126%0.258CS..SBendtrans-74.6-35.2172.4-63.4167.7000109.9V155 M171 L177 M179 A193 L196 N202 F234V155-I198 HydrophobicContact CG1-CD1 3.61Å; M171-I198 HydrophobicContact CE-CG1 4.01Å; L177-I198 HydrophobicContact CB-CG2 4.5Å; M179-I198 HydrophobicContact SD-CD1 4.26Å; A193-I198 HydrophobicContact CB-CB 4.41Å; A193-I198 PolarHBondContact O-N 3.18Å; L196-I198 VanDerWaalsContact C-N 3.33Å; L196-I198 HydrophobicContact CB-CD1 4.43Å; I198-N202 HydrophobicContact CG2-CB 3.91Å; I198-N202 PolarHBondContact O-ND2 2.85Å; I198-F234 HydrophobicContact CD1-CE1 4.29Å; I198-F234 HydrophobicContact CD1-CZ 3.81Å
199G97.2Very high97.7Very high29 Ų2943.4 Ų43.430%0.29927%0.266SS..  trans93139.3-176.700000112A193 D201 N202A193-G199 PolarHBondContact O-N 3.24Å; G199-D201 VanDerWaalsContact C-N 3.3Å; G199-D201 PolarHBondContact O-N 2.71Å; G199-N202 PolarHBondContact O-N 3.33Å
200V97.9Very high97.5Very high49 Ų4949.8 Ų49.830%0.29730%0.3SS..G310 helixtrans-66-33.6-175.4179.20000112.2R190 A194 N202 C203R190-V200 HydrophobicContact CB-CG1 4.35Å; R190-V200 VanDerWaalsContact NH2-CG1 3.34Å; A194-V200 HydrophobicContact CB-CG2 3.7Å; V200-N202 PolarHBondContact O-N 2.91Å; V200-C203 WeakPolarHBondContact O-CB 3.17Å; V200-C203 PolarHBondContact O-N 2.81Å
201D97.6Very high97.3Very high144 Ų14450 Ų5077%0.7730%0.301SS*.G310 helixtrans-69-20.5179.8-58.2-25.1000112.4G199 C203G199-D201 VanDerWaalsContact C-N 3.3Å; G199-D201 PolarHBondContact O-N 2.71Å; D201-C203 VanDerWaalsContact C-N 3.28Å
202N98.1Very high97.2Very high24 Ų2448.3 Ų48.313%0.12828%0.283CS..G310 helixtrans-895.1173.9-67.4-32000112.6R176 L177 M179 I198 G199 V200R176-N202 PolarHBondContact NE-OD1 2.64Å; R176-N202 PolarHBondContact NH2-OD1 2.98Å; L177-N202 VanDerWaalsContact O-CB 3.3Å; L177-N202 WeakPolarHBondContact O-CB 3.44Å; M179-N202 WeakPolarHBondContact CG-O 3.44Å; M179-N202 PolarHBondContact N-O 3.21Å; I198-N202 HydrophobicContact CG2-CB 3.91Å; I198-N202 PolarHBondContact O-ND2 2.85Å; G199-N202 PolarHBondContact O-N 3.33Å; V200-N202 PolarHBondContact O-N 2.91Å
203C98.5Very high97.1Very high4 Ų449.7 Ų49.73%0.02729%0.289CS..EExtended strand (participates in β ladder)trans-10487.9168.6-176.20000109.5M179 R190 A193 V200 D201 V205M179-C203 HydrophobicContact CG-CB 3.76Å; M179-C203 CarbonylContact O-C 3.54Å; M179-C203 WeakPolarHBondContact O-CA 3.41Å; M179-C203 HydrophobicContact SD-CB 4.18Å; R190-C203 HydrophobicContact CG-CB 4.28Å; A193-C203 HydrophobicContact CB-CB 3.88Å; V200-C203 WeakPolarHBondContact O-CB 3.17Å; V200-C203 PolarHBondContact O-N 2.81Å; D201-C203 VanDerWaalsContact C-N 3.28Å; C203-V205 PolarHBondContact O-N 3.11Å
204I98.6Very high97.1Very high45 Ų4549.8 Ų49.823%0.23129%0.289CS..EExtended strand (participates in β ladder)trans-69.4127.2-177.1-56.586.7000109.5A178 M179 F180 T181 A222A178-I204 HydrophobicContact CB-CD1 3.68Å; M179-I204 WeakPolarHBondContact O-CD1 3.26Å; M179-I204 PolarHBondContact O-N 2.88Å; F180-I204 WeakPolarHBondContact CA-O 3.46Å; F180-I204 HydrophobicContact CD1-CB 3.78Å; F180-I204 HydrophobicContact CD1-CD1 4.28Å; F180-I204 HydrophobicContact CD1-CG1 4.38Å; F180-I204 HydrophobicContact CD1-CG2 4.19Å; F180-I204 HydrophobicContact CE1-CB 3.98Å; F180-I204 HydrophobicContact CE1-CD1 3.83Å; F180-I204 HydrophobicContact CE1-CG1 4.08Å; F180-I204 HydrophobicContact CE1-CG2 4.39Å; F180-I204 HydrophobicContact CZ-CD1 4.12Å; T181-I204 PolarHBondContact N-O 3.36Å; I204-A222 HydrophobicContact CG2-CB 4.13Å
205V98.1Very high97.2Very high63 Ų6349.8 Ų49.838%0.38228%0.281SS..EExtended strand (participates in β ladder)trans-91.3115.6177.8178.20000108.8T181 A183 C203T181-V205 WeakPolarHBondContact O-CA 3.1Å; A183-V205 HydrophobicContact CB-CG1 3.71Å; C203-V205 PolarHBondContact O-N 3.11Å
206V98.6Very high97.2Very high0 Ų044.5 Ų44.50%025%0.254CS..EExtended strand (participates in β ladder)trans-85.9131.8-179.6-1760000109.8F180 T181 A183 M214 A218 L219F180-V206 HydrophobicContact CB-CG2 4.1Å; F180-V206 HydrophobicContact CD1-CG2 4.44Å; T181-V206 PolarHBondContact O-N 3.08Å; A183-V206 WeakPolarHBondContact CB-O 3.31Å; A183-V206 PolarHBondContact N-O 3.47Å; V206-M214 HydrophobicContact CB-CE 4.38Å; V206-M214 HydrophobicContact CB-CG 4.01Å; V206-M214 HydrophobicContact CB-SD 4.29Å; V206-M214 HydrophobicContact CG1-CG 3.61Å; V206-M214 HydrophobicContact CG1-SD 4.21Å; V206-A218 HydrophobicContact CG1-CB 4.1Å; V206-L219 HydrophobicContact CG1-CB 4.02Å; V206-L219 HydrophobicContact CG2-CB 4.37Å; V206-L219 HydrophobicContact CG2-CD1 3.92Å
207P98.1Very high97.3Very high72 Ų7248.7 Ų48.747%0.46827%0.273SS..  trans-54.5154.6174.9-2735.3000114.1I215 A218P207-I215 HydrophobicContact CB-CD1 4.3Å; P207-I215 PolarHBondContact O-N 3.36Å; P207-A218 HydrophobicContact CG-CB 4.3Å
208V97.5Very high97.4Very high23 Ų2347.3 Ų47.314%0.13926%0.257CS..BIsolated β-bridgetrans-118154.1177.7-650000111.2S182 A183 D184 K213S182-V208 WeakPolarHBondContact OG-CG1 3.41Å; A183-V208 HydrophobicContact CB-CG1 4.01Å; A183-V208 HydrophobicContact CB-CG2 4.26Å; D184-V208 HydrophobicContact CB-CG1 4.44Å; V208-K213 CarbonylContact C-O 3.59Å; V208-K213 WeakPolarHBondContact CA-O 3.41Å; V208-K213 WeakPolarHBondContact CB-O 3.27Å
209D96Very high97.5Very high41 Ų4147 Ų4722%0.21926%0.256CS..  trans-68.4178171.176.9-1.1000111.7R211 G212 K213 I215D209-R211 PolarHBondContact O-N 2.98Å; D209-R211 VanDerWaalsContact O-N 3.12Å; D209-R211 VanDerWaalsContact OD1-C 3.32Å; D209-R211 VanDerWaalsContact OD1-CA 3.32Å; D209-R211 WeakPolarHBondContact OD1-CA 3.46Å; D209-R211 WeakPolarHBondContact OD1-CB 3.35Å; D209-R211 PolarHBondContact OD1-N 2.9Å; D209-R211 IonicContact OD2-CZ 2.78Å; D209-R211 IonicContact OD2-NE 3.69Å; D209-R211 PolarHBondContact OD2-NE 2.9Å; D209-R211 IonicContact OD2-NH2 3.4Å; D209-R211 PolarHBondContact OD2-NH2 3.18Å; D209-G212 PolarHBondContact O-N 3.46Å; D209-G212 PolarHBondContact OD1-N 3.12Å; D209-K213 PolarHBondContact N-O 2.95Å; D209-K213 WeakPolarHBondContact OD1-CB 3.32Å; D209-K213 PolarHBondContact OD1-N 3.02Å; D209-I215 HydrophobicContact CB-CG1 4.35Å
210D93Very high97.5Very high134 Ų13448 Ų4872%0.71725%0.252SS*.THydrogen-bonded Turntrans-63-14.117863.9-22.9000114L374D210-L374 WeakPolarHBondContact O-CD2 3.22Å
211R94.5Very high97.6Very high118 Ų11852 Ų5245%0.44527%0.268SS..THydrogen-bonded Turntrans-99.11.2174.7-59175.9-62.5173.5-1.3113D209 K213 A247D209-R211 PolarHBondContact O-N 2.98Å; D209-R211 VanDerWaalsContact O-N 3.12Å; D209-R211 VanDerWaalsContact OD1-C 3.32Å; D209-R211 VanDerWaalsContact OD1-CA 3.32Å; D209-R211 WeakPolarHBondContact OD1-CA 3.46Å; D209-R211 WeakPolarHBondContact OD1-CB 3.35Å; D209-R211 PolarHBondContact OD1-N 2.9Å; D209-R211 IonicContact OD2-CZ 2.78Å; D209-R211 IonicContact OD2-NE 3.69Å; D209-R211 PolarHBondContact OD2-NE 2.9Å; D209-R211 IonicContact OD2-NH2 3.4Å; D209-R211 PolarHBondContact OD2-NH2 3.18Å; R211-K213 HydrophobicContact CB-CG 4.45Å; R211-A247 VanDerWaalsContact O-CB 3.25Å; R211-A247 WeakPolarHBondContact O-CB 3.29Å
212G94.4Very high97.6Very high1 Ų146 Ų461%0.0124%0.238CC..SBendtrans82.322.5178.800000114.6D184 D209 A247D184-G212 WeakPolarHBondContact OD2-CA 3.3Å; D209-G212 PolarHBondContact O-N 3.46Å; D209-G212 PolarHBondContact OD1-N 3.12Å; G212-A247 WeakPolarHBondContact O-CB 3.48Å
213K96.7Very high97.7Very high32 Ų3244.9 Ų44.914%0.13923%0.232CC..  trans-98.9137.5176.8-53.9-175.7179.8-135.50111.4V208 D209 R211 I215 A247 F248 E378V208-K213 CarbonylContact C-O 3.59Å; V208-K213 WeakPolarHBondContact CA-O 3.41Å; V208-K213 WeakPolarHBondContact CB-O 3.27Å; D209-K213 PolarHBondContact N-O 2.95Å; D209-K213 WeakPolarHBondContact OD1-CB 3.32Å; D209-K213 PolarHBondContact OD1-N 3.02Å; R211-K213 HydrophobicContact CB-CG 4.45Å; K213-I215 PolarHBondContact O-N 3.25Å; K213-A247 HydrophobicContact CG-CB 4.3Å; K213-F248 VanDerWaalsContact CD-O 3.25Å; K213-F248 WeakPolarHBondContact CD-O 3.27Å; K213-F248 WeakPolarHBondContact CE-O 3.44Å; K213-F248 WeakPolarHBondContact CG-O 3.38Å; K213-F248 PolarHBondContact NZ-O 2.89Å; K213-E378 WeakPolarHBondContact CE-OE1 3.45Å; K213-E378 WeakPolarHBondContact CE-OE2 3.38Å; K213-E378 IonicContact NZ-OE1 3.23Å; K213-E378 PolarHBondContact NZ-OE1 3.19Å; K213-E378 IonicContact NZ-OE2 2.65Å; K213-E378 PolarHBondContact NZ-OE2 3.12Å
214M98.4Very high97.7Very high2 Ų247.9 Ų47.91%0.0125%0.247CC..BIsolated β-bridgetrans-52.9132.8173.8-175.1-175.1-64.500111.2V206 P216 L219 N237 D249 P250 I254V206-M214 HydrophobicContact CB-CE 4.38Å; V206-M214 HydrophobicContact CB-CG 4.01Å; V206-M214 HydrophobicContact CB-SD 4.29Å; V206-M214 HydrophobicContact CG1-CG 3.61Å; V206-M214 HydrophobicContact CG1-SD 4.21Å; M214-P216 WeakPolarHBondContact O-CD 3.18Å; M214-L219 HydrophobicContact SD-CB 4.17Å; M214-L219 HydrophobicContact SD-CD1 4.44Å; M214-L219 HydrophobicContact SD-CD2 3.99Å; M214-L219 HydrophobicContact SD-CG 4.43Å; M214-N237 WeakPolarHBondContact CE-O 3.37Å; M214-D249 HydrophobicContact CB-CB 4.26Å; M214-D249 WeakPolarHBondContact CB-OD1 3.44Å; M214-D249 PolarHBondContact N-OD1 3.22Å; M214-P250 VanDerWaalsContact O-CD 3.32Å; M214-P250 WeakPolarHBondContact O-CD 3.5Å; M214-P250 WeakPolarHBondContact O-CG 3.25Å; M214-I254 HydrophobicContact CB-CD1 4.25Å; M214-I254 HydrophobicContact CG-CD1 4.42Å; M214-I254 HydrophobicContact SD-CD1 3.71Å; M214-I254 HydrophobicContact SD-CG1 4.17Å
215I98.7Very high97.7Very high54 Ų5447.8 Ų47.828%0.27725%0.253SS..  trans-83.9113175.4-61.1170.8000108.4P207 D209 K213 E217 A218 L219P207-I215 HydrophobicContact CB-CD1 4.3Å; P207-I215 PolarHBondContact O-N 3.36Å; D209-I215 HydrophobicContact CB-CG1 4.35Å; K213-I215 PolarHBondContact O-N 3.25Å; I215-E217 VanDerWaalsContact C-N 3.32Å; I215-E217 HydrophobicContact CG2-CB 4.36Å; I215-E217 VanDerWaalsContact CG2-OE2 3.3Å; I215-E217 WeakPolarHBondContact CG2-OE2 3.21Å; I215-E217 PolarHBondContact O-N 2.89Å; I215-A218 HydrophobicContact CB-CB 4Å; I215-A218 HydrophobicContact CG2-CB 4.01Å; I215-A218 PolarHBondContact O-N 3.32Å; I215-L219 PolarHBondContact O-N 3.04Å; I215-L219 VanDerWaalsContact O-N 3.11Å
216P98.8Very high97.7Very high16 Ų1645.1 Ų45.110%0.10424%0.237CC..Hα-helixtrans-60.1-37.9-176.8-25.936.8000113.9M214 A218 L219 E220 P250 L253 I257M214-P216 WeakPolarHBondContact O-CD 3.18Å; P216-A218 VanDerWaalsContact C-N 3.32Å; P216-A218 PolarHBondContact O-N 3.48Å; P216-L219 WeakPolarHBondContact O-CB 3.48Å; P216-L219 PolarHBondContact O-N 2.92Å; P216-L219 VanDerWaalsContact O-N 3.17Å; P216-E220 PolarHBondContact O-N 3.27Å; P216-P250 HydrophobicContact CG-CB 4.47Å; P216-P250 HydrophobicContact CG-CG 3.58Å; P216-L253 HydrophobicContact CB-CB 4.17Å; P216-L253 HydrophobicContact CG-CB 3.89Å; P216-L253 HydrophobicContact CG-CD1 3.96Å; P216-I257 HydrophobicContact CB-CD1 3.77Å; P216-I257 VanDerWaalsContact O-CD1 3.24Å; P216-I257 WeakPolarHBondContact O-CD1 3.24Å
217E98.7Very high97.7Very high119 Ų11950.7 Ų50.756%0.55626%0.261SS*.Hα-helixtrans-62.6-43179-61.176.8-169.900110.6I215 L219 E220 E221I215-E217 VanDerWaalsContact C-N 3.32Å; I215-E217 HydrophobicContact CG2-CB 4.36Å; I215-E217 VanDerWaalsContact CG2-OE2 3.3Å; I215-E217 WeakPolarHBondContact CG2-OE2 3.21Å; I215-E217 PolarHBondContact O-N 2.89Å; E217-L219 VanDerWaalsContact C-N 3.32Å; E217-L219 PolarHBondContact O-N 3.5Å; E217-E220 PolarHBondContact O-N 3.46Å; E217-E221 WeakPolarHBondContact O-CG 3.39Å; E217-E221 PolarHBondContact O-N 3.12Å
218A98.7Very high97.7Very high18 Ų1854.8 Ų54.815%0.14927%0.274CS..Hα-helixtrans-68-30.7176.500000112.6V206 P207 I215 P216 A222V206-A218 HydrophobicContact CG1-CB 4.1Å; P207-A218 HydrophobicContact CG-CB 4.3Å; I215-A218 HydrophobicContact CB-CB 4Å; I215-A218 HydrophobicContact CG2-CB 4.01Å; I215-A218 PolarHBondContact O-N 3.32Å; P216-A218 VanDerWaalsContact C-N 3.32Å; P216-A218 PolarHBondContact O-N 3.48Å; A218-A222 VanDerWaalsContact O-CB 3.3Å; A218-A222 WeakPolarHBondContact O-CB 3.29Å; A218-A222 PolarHBondContact O-N 2.75Å
219L98.9Very high97.7Very high0 Ų060 Ų600%030%0.297CS..Hα-helixtrans-63.8-47.8170.9169.665.9000110.4F180 V206 M214 I215 P216 E217 A222 I223 V236 I254 I257F180-L219 HydrophobicContact CB-CD1 3.63Å; F180-L219 HydrophobicContact CD1-CD1 4.22Å; F180-L219 HydrophobicContact CG-CD1 3.88Å; V206-L219 HydrophobicContact CG1-CB 4.02Å; V206-L219 HydrophobicContact CG2-CB 4.37Å; V206-L219 HydrophobicContact CG2-CD1 3.92Å; M214-L219 HydrophobicContact SD-CB 4.17Å; M214-L219 HydrophobicContact SD-CD1 4.44Å; M214-L219 HydrophobicContact SD-CD2 3.99Å; M214-L219 HydrophobicContact SD-CG 4.43Å; I215-L219 PolarHBondContact O-N 3.04Å; I215-L219 VanDerWaalsContact O-N 3.11Å; P216-L219 WeakPolarHBondContact O-CB 3.48Å; P216-L219 PolarHBondContact O-N 2.92Å; P216-L219 VanDerWaalsContact O-N 3.17Å; E217-L219 VanDerWaalsContact C-N 3.32Å; E217-L219 PolarHBondContact O-N 3.5Å; L219-A222 PolarHBondContact O-N 3Å; L219-I223 HydrophobicContact CD1-CD1 3.88Å; L219-I223 HydrophobicContact CD1-CG1 4.27Å; L219-I223 HydrophobicContact CG-CD1 3.85Å; L219-I223 WeakPolarHBondContact O-CD1 3.43Å; L219-I223 VanDerWaalsContact O-CG1 3.3Å; L219-I223 WeakPolarHBondContact O-CG1 3.47Å; L219-I223 PolarHBondContact O-N 2.94Å; L219-V236 HydrophobicContact CD1-CG1 4.04Å; L219-V236 HydrophobicContact CD1-CG2 4.1Å; L219-V236 HydrophobicContact CD2-CG1 3.96Å; L219-I254 HydrophobicContact CD2-CB 4.39Å; L219-I254 HydrophobicContact CD2-CG1 4.2Å; L219-I254 HydrophobicContact CD2-CG2 3.81Å; L219-I257 HydrophobicContact CD2-CB 4.49Å; L219-I257 HydrophobicContact CD2-CD1 4.19Å; L219-I257 HydrophobicContact CD2-CG2 4.17Å; L219-I257 HydrophobicContact CG-CG2 4.34Å
220E98.8Very high97.7Very high50 Ų5060.6 Ų60.623%0.23431%0.313CS..Hα-helixtrans-63.1-44179.7-179.8160.5-143.100111.9P216 E217 A222 I223 I224 I257 K260 Y261P216-E220 PolarHBondContact O-N 3.27Å; E217-E220 PolarHBondContact O-N 3.46Å; E220-A222 VanDerWaalsContact C-N 3.35Å; E220-A222 PolarHBondContact O-N 3.33Å; E220-I223 PolarHBondContact O-N 2.83Å; E220-I224 HydrophobicContact CG-CD1 4.1Å; E220-I224 WeakPolarHBondContact O-CG1 3.33Å; E220-I224 PolarHBondContact O-N 3.41Å; E220-I257 HydrophobicContact CB-CD1 4.26Å; E220-I257 HydrophobicContact CB-CG2 4.44Å; E220-K260 WeakPolarHBondContact OE1-CE 3.45Å; E220-K260 IonicContact OE1-NZ 2.77Å; E220-K260 PolarHBondContact OE1-NZ 3.13Å; E220-Y261 HydrophobicContact CG-CE2 3.88Å; E220-Y261 VanDerWaalsContact OE1-CE2 3.24Å; E220-Y261 WeakPolarHBondContact OE1-CE2 3.5Å; E220-Y261 PolarHBondContact OE1-OH 3.29Å
221E98.8Very high97.9Very high133 Ų13354.4 Ų54.462%0.62128%0.28SS*.Hα-helixtrans-57.6-45.5173.2-73174.7-177.200112E217 I223 I224 A225E217-E221 WeakPolarHBondContact O-CG 3.39Å; E217-E221 PolarHBondContact O-N 3.12Å; E221-I223 VanDerWaalsContact C-N 3.33Å; E221-I223 PolarHBondContact O-N 2.94Å; E221-I224 PolarHBondContact O-N 2.94Å; E221-A225 WeakPolarHBondContact O-CB 3.32Å; E221-A225 PolarHBondContact O-N 3.34Å
222A98.7Very high98.1Very high18 Ų1852.1 Ų52.115%0.14928%0.276CS..Hα-helixtrans-64-36.6178.500000112.7F180 I204 A218 L219 E220 S226F180-A222 HydrophobicContact CD1-CB 3.98Å; F180-A222 HydrophobicContact CE1-CB 3.87Å; I204-A222 HydrophobicContact CG2-CB 4.13Å; A218-A222 VanDerWaalsContact O-CB 3.3Å; A218-A222 WeakPolarHBondContact O-CB 3.29Å; A218-A222 PolarHBondContact O-N 2.75Å; L219-A222 PolarHBondContact O-N 3Å; E220-A222 VanDerWaalsContact C-N 3.35Å; E220-A222 PolarHBondContact O-N 3.33Å; A222-S226 WeakPolarHBondContact O-CB 3.4Å; A222-S226 PolarHBondContact O-N 3.43Å; A222-S226 PolarHBondContact O-OG 2.85Å
223I98.8Very high98.3Very high0 Ų052.9 Ų52.90%028%0.281CS..Hα-helixtrans-64-46.3174.9-71.6159.4000110.3F180 L219 E220 E221 S226 K227 P233 I257 Y261 L263F180-I223 HydrophobicContact CD1-CG1 4.39Å; F180-I223 HydrophobicContact CD2-CG1 4.16Å; F180-I223 HydrophobicContact CE1-CG1 4.06Å; F180-I223 HydrophobicContact CE2-CG1 3.88Å; F180-I223 HydrophobicContact CG-CG1 4.45Å; F180-I223 HydrophobicContact CZ-CB 4.39Å; F180-I223 HydrophobicContact CZ-CG1 3.81Å; L219-I223 HydrophobicContact CD1-CD1 3.88Å; L219-I223 HydrophobicContact CD1-CG1 4.27Å; L219-I223 HydrophobicContact CG-CD1 3.85Å; L219-I223 WeakPolarHBondContact O-CD1 3.43Å; L219-I223 VanDerWaalsContact O-CG1 3.3Å; L219-I223 WeakPolarHBondContact O-CG1 3.47Å; L219-I223 PolarHBondContact O-N 2.94Å; E220-I223 PolarHBondContact O-N 2.83Å; E221-I223 VanDerWaalsContact C-N 3.33Å; E221-I223 PolarHBondContact O-N 2.94Å; I223-S226 PolarHBondContact O-N 3.27Å; I223-K227 HydrophobicContact CG2-CD 4.45Å; I223-K227 WeakPolarHBondContact O-CG 3.37Å; I223-K227 PolarHBondContact O-N 3.29Å; I223-P233 HydrophobicContact CG2-CB 4.2Å; I223-P233 HydrophobicContact CG2-CG 4.06Å; I223-I257 HydrophobicContact CD1-CG2 3.57Å; I223-Y261 HydrophobicContact CD1-CD2 4.35Å; I223-Y261 HydrophobicContact CG2-CD1 3.98Å; I223-Y261 HydrophobicContact CG2-CD2 4.1Å; I223-Y261 HydrophobicContact CG2-CE1 4.36Å; I223-Y261 HydrophobicContact CG2-CE2 4.48Å; I223-Y261 HydrophobicContact CG2-CG 3.86Å; I223-L263 HydrophobicContact CD1-CD1 3.48Å; I223-L263 VanDerWaalsContact CD1-CD1 3.48Å; I223-L263 HydrophobicContact CG1-CD1 4.12Å
224I98.7Very high98.4Very high67 Ų6751.5 Ų51.534%0.34428%0.275SS..Hα-helixtrans-62-51.4179-66.8165.7000110.2E220 E221 S226 K227 E228E220-I224 HydrophobicContact CG-CD1 4.1Å; E220-I224 WeakPolarHBondContact O-CG1 3.33Å; E220-I224 PolarHBondContact O-N 3.41Å; E221-I224 PolarHBondContact O-N 2.94Å; I224-S226 VanDerWaalsContact C-N 3.31Å; I224-S226 PolarHBondContact O-N 3.39Å; I224-K227 WeakPolarHBondContact O-CB 3.43Å; I224-K227 PolarHBondContact O-N 2.92Å; I224-E228 PolarHBondContact O-N 3.02Å
225A98.5Very high98.4Very high42 Ų4251.4 Ų51.435%0.34727%0.274SS..Hα-helixtrans-58-42178.800000112.3E221 K227 E228 E229E221-A225 WeakPolarHBondContact O-CB 3.32Å; E221-A225 PolarHBondContact O-N 3.34Å; A225-K227 VanDerWaalsContact C-N 3.28Å; A225-K227 PolarHBondContact O-N 3.15Å; A225-E228 PolarHBondContact O-N 3.27Å; A225-E228 VanDerWaalsContact O-N 3.16Å; A225-E229 PolarHBondContact O-N 3.28Å
226S98.4Very high98.4Very high7 Ų748.8 Ų48.85%0.04926%0.261CS..Hα-helixtrans-61.3-36.5177.3-62.30000112.5F180 A222 I223 I224 E229 C231F180-S226 WeakPolarHBondContact CZ-OG 3.5Å; A222-S226 WeakPolarHBondContact O-CB 3.4Å; A222-S226 PolarHBondContact O-N 3.43Å; A222-S226 PolarHBondContact O-OG 2.85Å; I223-S226 PolarHBondContact O-N 3.27Å; I224-S226 VanDerWaalsContact C-N 3.31Å; I224-S226 PolarHBondContact O-N 3.39Å; S226-E229 PolarHBondContact O-N 3.16Å; S226-C231 WeakPolarHBondContact O-CA 3.13Å; S226-C231 VanDerWaalsContact O-CB 3.23Å; S226-C231 WeakPolarHBondContact O-CB 3.35Å; S226-C231 PolarHBondContact O-N 2.94Å
227K98.3Very high98.4Very high118 Ų11848 Ų4851%0.51326%0.256SS..Hα-helixtrans-70-38.9176-67.7174.871.7177.30111.7I223 I224 A225 E229 G230 P233I223-K227 HydrophobicContact CG2-CD 4.45Å; I223-K227 WeakPolarHBondContact O-CG 3.37Å; I223-K227 PolarHBondContact O-N 3.29Å; I224-K227 WeakPolarHBondContact O-CB 3.43Å; I224-K227 PolarHBondContact O-N 2.92Å; A225-K227 VanDerWaalsContact C-N 3.28Å; A225-K227 PolarHBondContact O-N 3.15Å; K227-E229 VanDerWaalsContact C-N 3.27Å; K227-E229 PolarHBondContact O-N 2.93Å; K227-G230 PolarHBondContact O-N 3.48Å; K227-P233 HydrophobicContact CD-CG 4.18Å; K227-P233 HydrophobicContact CG-CG 3.58Å
228E98Very high98.3Very high158 Ų15842.4 Ų42.474%0.73823%0.23SC*.Hα-helixtrans-63.9-33.8176.1-68.4176.2171.300112I224 A225 G230I224-E228 PolarHBondContact O-N 3.02Å; A225-E228 PolarHBondContact O-N 3.27Å; A225-E228 VanDerWaalsContact O-N 3.16Å; E228-G230 PolarHBondContact O-N 3.25Å
229E97.1Very high98.2Very high132 Ų13241.6 Ų41.662%0.61722%0.223SC*.THydrogen-bonded Turntrans-74.40.7171.5-69.1-175.9-17100114.2A225 S226 K227 C231A225-E229 PolarHBondContact O-N 3.28Å; S226-E229 PolarHBondContact O-N 3.16Å; K227-E229 VanDerWaalsContact C-N 3.27Å; K227-E229 PolarHBondContact O-N 2.93Å; E229-C231 VanDerWaalsContact C-N 3.33Å
230G96.9Very high97.9Very high54 Ų5441.7 Ų41.756%0.55722%0.224SC*.THydrogen-bonded Turntrans78.512.5-179.200000114.5K227 E228K227-G230 PolarHBondContact O-N 3.48Å; E228-G230 PolarHBondContact O-N 3.25Å
231C97.5Very high97.6Very high4 Ų439.3 Ų39.33%0.02721%0.213CC..  trans-80.7158.4170.1-55.60000110.7R176 A178 S226 E229 P233R176-C231 VanDerWaalsContact CD-SG 3.55Å; R176-C231 VanDerWaalsContact CZ-SG 3.57Å; R176-C231 PolarHBondContact NE-SG 3.34Å; R176-C231 CarbonylContact O-C 3.51Å; R176-C231 WeakPolarHBondContact O-CA 3.07Å; A178-C231 HydrophobicContact CB-CB 3.88Å; S226-C231 WeakPolarHBondContact O-CA 3.13Å; S226-C231 VanDerWaalsContact O-CB 3.23Å; S226-C231 WeakPolarHBondContact O-CB 3.35Å; S226-C231 PolarHBondContact O-N 2.94Å; E229-C231 VanDerWaalsContact C-N 3.33Å; C231-P233 WeakPolarHBondContact O-CD 3.4Å
232I98Very high97.4Very high69 Ų6933 Ų3335%0.35418%0.184SC..EExtended strand (participates in β ladder)trans-107.2104.5171.9-55.1-60.5000109.5Y163 P175 R176 L177 A178 F234Y163-I232 WeakPolarHBondContact OH-CG2 3.34Å; P175-I232 HydrophobicContact CB-CG1 3.72Å; P175-I232 HydrophobicContact CG-CB 4.2Å; P175-I232 HydrophobicContact CG-CG1 3.6Å; R176-I232 PolarHBondContact O-N 2.99Å; L177-I232 WeakPolarHBondContact CA-O 3.45Å; L177-I232 HydrophobicContact CD2-CB 4.29Å; A178-I232 PolarHBondContact N-O 3.31Å; I232-F234 PolarHBondContact O-N 2.65Å
233P98.7Very high97Very high18 Ų1833.4 Ų33.412%0.11718%0.184CC..EExtended strand (participates in β ladder)trans-55.9128.7167.6-28.338.6000111A178 F180 I223 K227 C231 L263A178-P233 WeakPolarHBondContact O-CA 3.49Å; F180-P233 HydrophobicContact CE2-CB 3.72Å; F180-P233 HydrophobicContact CE2-CG 4.3Å; F180-P233 HydrophobicContact CZ-CB 4.11Å; F180-P233 HydrophobicContact CZ-CG 4.19Å; I223-P233 HydrophobicContact CG2-CB 4.2Å; I223-P233 HydrophobicContact CG2-CG 4.06Å; K227-P233 HydrophobicContact CD-CG 4.18Å; K227-P233 HydrophobicContact CG-CG 3.58Å; C231-P233 WeakPolarHBondContact O-CD 3.4Å; P233-L263 HydrophobicContact CB-CD2 3.52Å
234F98.5Very high96.7Very high2 Ų234.7 Ų34.71%0.00919%0.192CC..EExtended strand (participates in β ladder)trans-137-17.8178.883.3-75000115.1V155 A158 R159 F162 L177 A178 M179 I198 I232 W264V155-F234 HydrophobicContact CG1-CZ 4.17Å; A158-F234 HydrophobicContact CB-CD2 4.16Å; A158-F234 HydrophobicContact CB-CE2 3.99Å; R159-F234 HydrophobicContact CB-CE2 4.09Å; F162-F234 HydrophobicContact CD2-CB 4.01Å; F162-F234 HydrophobicContact CD2-CD2 4.27Å; F162-F234 HydrophobicContact CE2-CB 4.28Å; F162-F234 WeakPolarHBondContact CE2-O 3.47Å; L177-F234 HydrophobicContact CB-CD1 3.75Å; L177-F234 HydrophobicContact CB-CE1 3.78Å; L177-F234 HydrophobicContact CD1-CD1 4.16Å; L177-F234 HydrophobicContact CD1-CE1 4.07Å; L177-F234 HydrophobicContact CD1-CZ 4.36Å; L177-F234 HydrophobicContact CD2-CD1 4.41Å; L177-F234 HydrophobicContact CG-CD1 4.33Å; L177-F234 HydrophobicContact CG-CE1 4.49Å; A178-F234 VanDerWaalsContact O-CD1 3.25Å; A178-F234 WeakPolarHBondContact O-CD1 3.32Å; A178-F234 PolarHBondContact O-N 3.08Å; M179-F234 HydrophobicContact CB-CE1 3.83Å; M179-F234 HydrophobicContact CB-CZ 4.32Å; I198-F234 HydrophobicContact CD1-CE1 4.29Å; I198-F234 HydrophobicContact CD1-CZ 3.81Å; I232-F234 PolarHBondContact O-N 2.65Å; F234-W264 WeakPolarHBondContact O-CB 3.19Å; F234-W264 PolarHBondContact O-N 2.86Å
235F98.7Very high96.6Very high0 Ų031.7 Ų31.70%018%0.176CC..EExtended strand (participates in β ladder)trans-147.5135-169.5178.3-85.2000112.3A154 V155 A158 M179 F180 N237 W264 H266A154-F235 HydrophobicContact CB-CE2 4.38Å; V155-F235 HydrophobicContact CG2-CD1 4.49Å; V155-F235 HydrophobicContact CG2-CE1 3.91Å; V155-F235 HydrophobicContact CG2-CE2 4.01Å; V155-F235 HydrophobicContact CG2-CZ 3.63Å; A158-F235 HydrophobicContact CB-CD2 3.57Å; A158-F235 HydrophobicContact CB-CE2 4.23Å; M179-F235 CarbonylContact C-O 3.45Å; M179-F235 WeakPolarHBondContact CA-O 3.5Å; M179-F235 HydrophobicContact CB-CB 4.02Å; M179-F235 HydrophobicContact CB-CD1 4.01Å; M179-F235 HydrophobicContact CB-CG 4.45Å; M179-F235 HydrophobicContact CE-CD1 3.81Å; M179-F235 HydrophobicContact CE-CE1 3.84Å; F180-F235 WeakPolarHBondContact CD2-O 3.37Å; F180-F235 PolarHBondContact N-O 3.33Å; F235-N237 HydrophobicContact CE1-CB 3.75Å; F235-N237 HydrophobicContact CZ-CB 4.32Å; F235-W264 WeakPolarHBondContact CA-O 3.23Å; F235-W264 HydrophobicContact CD2-CB 4.31Å; F235-W264 AromaticContact CD2-CD1 3.73Å; F235-W264 HydrophobicContact CD2-CG 4.27Å; F235-W264 AromaticContact CE2-CD1 3.87Å; F235-H266 HydrophobicContact CD2-CB 4.43Å; F235-H266 HydrophobicContact CE1-CB 4.22Å; F235-H266 HydrophobicContact CE2-CB 3.43Å; F235-H266 VanDerWaalsContact CE2-CB 3.43Å; F235-H266 HydrophobicContact CZ-CB 3.3Å; F235-H266 AromaticContact CZ-CD2 3.81Å; F235-H266 AromaticContact CZ-CG 3.79Å
236V98.8Very high96.3Very high0 Ų029.7 Ų29.70%016%0.16CC..EExtended strand (participates in β ladder)trans-125.5129.4171.1-177.10000109.2F180 L219 I254 L263 W264 H266F180-V236 HydrophobicContact CB-CG1 4.47Å; F180-V236 HydrophobicContact CB-CG2 4.24Å; F180-V236 HydrophobicContact CD2-CG2 4.13Å; F180-V236 CarbonylContact O-C 3.39Å; F180-V236 WeakPolarHBondContact O-CA 3.38Å; L219-V236 HydrophobicContact CD1-CG1 4.04Å; L219-V236 HydrophobicContact CD1-CG2 4.1Å; L219-V236 HydrophobicContact CD2-CG1 3.96Å; V236-I254 HydrophobicContact CG1-CG2 3.78Å; V236-L263 HydrophobicContact CG2-CB 4.32Å; V236-L263 HydrophobicContact CG2-CD1 4.05Å; V236-L263 HydrophobicContact CG2-CD2 4.46Å; V236-W264 PolarHBondContact N-O 3.09Å; V236-H266 PolarHBondContact O-N 3.3Å
237N98.5Very high96.2Very high0 Ų029.5 Ų29.50%016%0.158CC..EExtended strand (participates in β ladder)trans-100.1110.1168.4168.764.9000110.6F180 T181 I189 M214 F235 H266 S268F180-N237 PolarHBondContact O-N 2.84Å; T181-N237 PolarHBondContact OG1-ND2 2.94Å; I189-N237 HydrophobicContact CD1-CB 3.95Å; I189-N237 HydrophobicContact CG1-CB 4.31Å; I189-N237 HydrophobicContact CG2-CB 4.41Å; M214-N237 WeakPolarHBondContact CE-O 3.37Å; F235-N237 HydrophobicContact CE1-CB 3.75Å; F235-N237 HydrophobicContact CZ-CB 4.32Å; N237-H266 WeakPolarHBondContact CA-O 3.25Å; N237-H266 PolarHBondContact OD1-CD2 2.9Å; N237-S268 VanDerWaalsContact OD1-CB 3.3Å; N237-S268 WeakPolarHBondContact OD1-CB 3.38Å; N237-S268 PolarHBondContact OD1-OG 3.23Å
238A97.8Very high96Very high0 Ų026.9 Ų26.90%015%0.147CC..EExtended strand (participates in β ladder)trans-89.8134.9167.100000110.4D249 I251 I254 L265 H266 R267 S268A238-D249 HydrophobicContact CB-CB 4.39Å; A238-I251 HydrophobicContact CB-CG1 4.29Å; A238-I254 HydrophobicContact CB-CD1 3.91Å; A238-I254 HydrophobicContact CB-CG2 4.31Å; A238-L265 HydrophobicContact CB-CD1 4Å; A238-H266 PolarHBondContact N-O 3.15Å; A238-R267 CarbonylContact O-C 3.59Å; A238-R267 WeakPolarHBondContact O-CA 3.5Å; A238-S268 PolarHBondContact O-N 3.12Å
239V95.6Very high96Very high1 Ų119.7 Ų19.71%0.00611%0.114CC..EExtended strand (participates in β ladder)trans-96.7119.5-177.2178.70000110.5D249 Y270V239-D249 WeakPolarHBondContact CB-OD2 3.39Å; V239-D249 PolarHBondContact N-OD2 2.88Å; V239-D249 WeakPolarHBondContact O-CB 3.45Å; V239-D249 PolarHBondContact O-N 3.3Å; V239-Y270 HydrophobicContact CB-CE2 4.35Å; V239-Y270 HydrophobicContact CG1-CD2 3.8Å; V239-Y270 HydrophobicContact CG1-CE2 3.52Å; V239-Y270 HydrophobicContact CG2-CE2 4.01Å
240A93.9Very high96.1Very high3 Ų315.2 Ų15.23%0.02510%0.096CC..BIsolated β-bridgetrans-104.182.6173.400000109.8F248 I251 S268 F269A240-F248 HydrophobicContact CB-CD1 3.91Å; A240-F248 HydrophobicContact CB-CE1 4.06Å; A240-I251 HydrophobicContact CB-CD1 4.17Å; A240-S268 PolarHBondContact N-O 3.46Å; A240-F269 HydrophobicContact CB-CD1 3.33Å; A240-F269 HydrophobicContact CB-CE1 3.35Å; A240-F269 HydrophobicContact CB-CG 3.99Å; A240-F269 HydrophobicContact CB-CZ 4.03Å
241G92.3Very high96.1Very high0 Ų014.4 Ų14.40%08%0.079CC..SBendtrans9486.3-174.900000111.7A247 Y270G241-A247 CarbonylContact C-O 3.43Å; G241-A247 WeakPolarHBondContact CA-O 3.27Å; G241-A247 PolarHBondContact N-O 3.16Å; G241-Y270 WeakPolarHBondContact O-CB 3.27Å; G241-Y270 WeakPolarHBondContact O-CD2 3.1Å
242S93.6Very high96.1Very high1 Ų120.4 Ų20.41%0.00711%0.11CC..  trans-63.5151.417658.60000112.7V244 G246 A247 L271S242-V244 VanDerWaalsContact C-N 3.28Å; S242-V244 PolarHBondContact O-N 3.47Å; S242-G246 VanDerWaalsContact O-CA 3.27Å; S242-G246 WeakPolarHBondContact O-CA 3.41Å; S242-G246 PolarHBondContact O-N 3.22Å; S242-G246 PolarHBondContact OG-N 3.34Å; S242-A247 PolarHBondContact N-O 3.24Å; S242-A247 WeakPolarHBondContact OG-CB 3.39Å; S242-A247 PolarHBondContact OG-N 3.24Å; S242-L271 WeakPolarHBondContact O-CD1 3.49Å
243T91.1Very high96.1Very high25 Ų2521.5 Ų21.515%0.15312%0.116CC..THydrogen-bonded Turntrans-66.5-29.6-173.951.70000113.6L86 Y270 N381 R435L86-T243 HydrophobicContact CD1-CG2 4.1Å; T243-Y270 HydrophobicContact CG2-CD2 4.21Å; T243-Y270 HydrophobicContact CG2-CG 4.26Å; T243-N381 PolarHBondContact O-ND2 3.04Å; T243-N381 VanDerWaalsContact O-ND2 3.08Å; T243-R435 WeakPolarHBondContact O-CD 3.39Å; T243-R435 PolarHBondContact O-NH1 2.85Å
244V92.9Very high96.1Very high28 Ų2820.6 Ų20.617%0.1711%0.111CC..THydrogen-bonded Turntrans-90.9-66.3-178.2174.10000110.3S242 N381 C383 Q425 F433 R435S242-V244 VanDerWaalsContact C-N 3.28Å; S242-V244 PolarHBondContact O-N 3.47Å; V244-N381 WeakPolarHBondContact O-CB 3.29Å; V244-N381 PolarHBondContact O-ND2 3.35Å; V244-C383 PolarHBondContact O-SG 3.11Å; V244-C383 VanDerWaalsContact O-SG 3.33Å; V244-Q425 VanDerWaalsContact CG1-NE2 3.32Å; V244-Q425 HydrophobicContact CG2-CG 4.49Å; V244-F433 HydrophobicContact CG1-CE2 3.76Å; V244-F433 HydrophobicContact CG1-CZ 3.81Å; V244-R435 WeakPolarHBondContact O-CD 3.47Å
245Y94.7Very high96.1Very high4 Ų422 Ų222%0.01612%0.123CC..THydrogen-bonded Turntrans-86.4-16.3-172.5-65.7-39.8000115D184 A247 V373 L374 C383 D427 K430 F433D184-Y245 WeakPolarHBondContact OD2-CD2 3.47Å; Y245-A247 PolarHBondContact O-N 3.45Å; Y245-V373 HydrophobicContact CE1-CG1 3.66Å; Y245-L374 HydrophobicContact CD1-CD1 3.48Å; Y245-L374 VanDerWaalsContact CD1-CD1 3.48Å; Y245-L374 HydrophobicContact CD1-CG 3.89Å; Y245-L374 HydrophobicContact CD2-CD1 4.18Å; Y245-L374 HydrophobicContact CE1-CD1 4.24Å; Y245-L374 HydrophobicContact CE1-CG 4.19Å; Y245-L374 HydrophobicContact CG-CD1 3.46Å; Y245-L374 VanDerWaalsContact CG-CD1 3.46Å; Y245-L374 HydrophobicContact CG-CG 4.27Å; Y245-C383 HydrophobicContact CD1-CB 4.29Å; Y245-C383 HydrophobicContact CE1-CB 4.4Å; Y245-D427 WeakPolarHBondContact CE2-OD2 3.49Å; Y245-D427 PolarHBondContact OH-OD2 2.94Å; Y245-K430 PolarHBondContact OH-NZ 3.27Å; Y245-F433 HydrophobicContact CE1-CE2 4.19Å; Y245-F433 AromaticContact CE1-CZ 3.98Å; Y245-F433 HydrophobicContact CE1-CZ 3.98Å
246G94Very high96.1Very high0 Ų026.7 Ų26.70%015%0.148CC..  trans67.521.4-170.400000113.2S242 F248 L271S242-G246 VanDerWaalsContact O-CA 3.27Å; S242-G246 WeakPolarHBondContact O-CA 3.41Å; S242-G246 PolarHBondContact O-N 3.22Å; S242-G246 PolarHBondContact OG-N 3.34Å; G246-F248 WeakPolarHBondContact O-CD2 3.5Å; G246-F248 WeakPolarHBondContact O-CE2 3.27Å; G246-L271 VanDerWaalsContact CA-CD1 3.48Å
247A94.5Very high96.1Very high2 Ų227.3 Ų27.32%0.01715%0.151CC..  trans-69.3145.5178.900000111.9R211 G212 K213 G241 S242 Y245R211-A247 VanDerWaalsContact O-CB 3.25Å; R211-A247 WeakPolarHBondContact O-CB 3.29Å; G212-A247 WeakPolarHBondContact O-CB 3.48Å; K213-A247 HydrophobicContact CG-CB 4.3Å; G241-A247 CarbonylContact C-O 3.43Å; G241-A247 WeakPolarHBondContact CA-O 3.27Å; G241-A247 PolarHBondContact N-O 3.16Å; S242-A247 PolarHBondContact N-O 3.24Å; S242-A247 WeakPolarHBondContact OG-CB 3.39Å; S242-A247 PolarHBondContact OG-N 3.24Å; Y245-A247 PolarHBondContact O-N 3.45Å
248F96Very high96.1Very high64 Ų6427.6 Ų27.628%0.28115%0.153SC..BIsolated β-bridgetrans-110.5118.9173-70.5-101.6000110.3K213 A240 G246 E378 F379K213-F248 VanDerWaalsContact CD-O 3.25Å; K213-F248 WeakPolarHBondContact CD-O 3.27Å; K213-F248 WeakPolarHBondContact CE-O 3.44Å; K213-F248 WeakPolarHBondContact CG-O 3.38Å; K213-F248 PolarHBondContact NZ-O 2.89Å; A240-F248 HydrophobicContact CB-CD1 3.91Å; A240-F248 HydrophobicContact CB-CE1 4.06Å; G246-F248 WeakPolarHBondContact O-CD2 3.5Å; G246-F248 WeakPolarHBondContact O-CE2 3.27Å; F248-E378 HydrophobicContact CD2-CB 4.42Å; F248-E378 PolarHBondContact N-OE2 2.98Å; F248-F379 HydrophobicContact CE2-CB 4Å; F248-F379 AromaticContact CE2-CD2 3.99Å; F248-F379 HydrophobicContact CE2-CD2 3.99Å; F248-F379 HydrophobicContact CE2-CG 4.02Å; F248-F379 HydrophobicContact CZ-CD2 4.08Å; F248-F379 HydrophobicContact CZ-CE2 4.44Å; F248-F379 HydrophobicContact CZ-CG 4.29Å
249D97.6Very high96.2Very high6 Ų635.4 Ų35.43%0.03219%0.189CC..  trans-58.7149.5171.8-72.9-13.7000110.5M214 A238 V239 I251 I254M214-D249 HydrophobicContact CB-CB 4.26Å; M214-D249 WeakPolarHBondContact CB-OD1 3.44Å; M214-D249 PolarHBondContact N-OD1 3.22Å; A238-D249 HydrophobicContact CB-CB 4.39Å; V239-D249 WeakPolarHBondContact CB-OD2 3.39Å; V239-D249 PolarHBondContact N-OD2 2.88Å; V239-D249 WeakPolarHBondContact O-CB 3.45Å; V239-D249 PolarHBondContact O-N 3.3Å; D249-I251 PolarHBondContact O-N 3.48Å; D249-I254 HydrophobicContact CB-CD1 3.77Å
250P97.9Very high96.3Very high38 Ų3842 Ų4225%0.24722%0.218CC..  trans-73.775.4178.532.1-37.6000111.4M214 P216 N252 L253 I254M214-P250 VanDerWaalsContact O-CD 3.32Å; M214-P250 WeakPolarHBondContact O-CD 3.5Å; M214-P250 WeakPolarHBondContact O-CG 3.25Å; P216-P250 HydrophobicContact CG-CB 4.47Å; P216-P250 HydrophobicContact CG-CG 3.58Å; P250-N252 VanDerWaalsContact C-N 3.26Å; P250-N252 PolarHBondContact O-N 3.5Å; P250-N252 VanDerWaalsContact O-N 3.12Å; P250-L253 HydrophobicContact CB-CB 4.39Å; P250-L253 HydrophobicContact CB-CD1 4.11Å; P250-L253 HydrophobicContact CB-CG 4.43Å; P250-L253 PolarHBondContact O-N 3.15Å; P250-L253 VanDerWaalsContact O-N 3.1Å; P250-I254 HydrophobicContact CG-CD1 4.33Å; P250-I254 HydrophobicContact CG-CG1 4.48Å; P250-I254 PolarHBondContact O-N 3.41Å; P250-I254 VanDerWaalsContact O-N 3.08Å
251I97Very high96.5Very high37 Ų3744.8 Ų44.819%0.1923%0.228CC..Hα-helixtrans-52.9-39.2-170.3-66.5164.8000113.1A238 A240 D249 I254 A255 R267A238-I251 HydrophobicContact CB-CG1 4.29Å; A240-I251 HydrophobicContact CB-CD1 4.17Å; D249-I251 PolarHBondContact O-N 3.48Å; I251-I254 PolarHBondContact O-N 3.07Å; I251-A255 VanDerWaalsContact O-CB 3.3Å; I251-A255 WeakPolarHBondContact O-CB 3.45Å; I251-A255 PolarHBondContact O-N 3.42Å; I251-R267 HydrophobicContact CG2-CG 4.34Å
252N98.1Very high96.8Very high130 Ų13047 Ų4770%0.69525%0.251SS*.Hα-helixtrans-65.7-46.4-178.7-65.4-16.4000111.6P250 I254 A255 D256P250-N252 VanDerWaalsContact C-N 3.26Å; P250-N252 PolarHBondContact O-N 3.5Å; P250-N252 VanDerWaalsContact O-N 3.12Å; N252-I254 VanDerWaalsContact C-N 3.31Å; N252-I254 PolarHBondContact O-N 2.74Å; N252-A255 WeakPolarHBondContact O-CB 3.39Å; N252-A255 PolarHBondContact O-N 3.31Å; N252-A255 VanDerWaalsContact O-N 3.11Å; N252-D256 PolarHBondContact O-N 3.45Å
253L98.6Very high97.1Very high92 Ų9247.6 Ų47.648%0.48225%0.254SS..Hα-helixtrans-64.5-38.9177.6-61178.1000111.4P216 P250 A255 D256 I257P216-L253 HydrophobicContact CB-CB 4.17Å; P216-L253 HydrophobicContact CG-CB 3.89Å; P216-L253 HydrophobicContact CG-CD1 3.96Å; P250-L253 HydrophobicContact CB-CB 4.39Å; P250-L253 HydrophobicContact CB-CD1 4.11Å; P250-L253 HydrophobicContact CB-CG 4.43Å; P250-L253 PolarHBondContact O-N 3.15Å; P250-L253 VanDerWaalsContact O-N 3.1Å; L253-A255 VanDerWaalsContact C-N 3.31Å; L253-D256 PolarHBondContact O-N 3.32Å; L253-I257 WeakPolarHBondContact O-CG1 3.44Å; L253-I257 PolarHBondContact O-N 3.5Å
254I98.8Very high97.4Very high0 Ų048.4 Ų48.40%025%0.254CS..Hα-helixtrans-65.2-37.9174.6-64.5166.8000110.7M214 L219 V236 A238 D249 P250 I251 N252 I257 C258 L265M214-I254 HydrophobicContact CB-CD1 4.25Å; M214-I254 HydrophobicContact CG-CD1 4.42Å; M214-I254 HydrophobicContact SD-CD1 3.71Å; M214-I254 HydrophobicContact SD-CG1 4.17Å; L219-I254 HydrophobicContact CD2-CB 4.39Å; L219-I254 HydrophobicContact CD2-CG1 4.2Å; L219-I254 HydrophobicContact CD2-CG2 3.81Å; V236-I254 HydrophobicContact CG1-CG2 3.78Å; A238-I254 HydrophobicContact CB-CD1 3.91Å; A238-I254 HydrophobicContact CB-CG2 4.31Å; D249-I254 HydrophobicContact CB-CD1 3.77Å; P250-I254 HydrophobicContact CG-CD1 4.33Å; P250-I254 HydrophobicContact CG-CG1 4.48Å; P250-I254 PolarHBondContact O-N 3.41Å; P250-I254 VanDerWaalsContact O-N 3.08Å; I251-I254 PolarHBondContact O-N 3.07Å; N252-I254 VanDerWaalsContact C-N 3.31Å; N252-I254 PolarHBondContact O-N 2.74Å; I254-I257 PolarHBondContact O-N 3.09Å; I254-C258 PolarHBondContact O-N 3.43Å; I254-C258 PolarHBondContact O-SG 2.72Å; I254-L265 HydrophobicContact CG2-CD1 3.78Å
255A98.6Very high97.7Very high32 Ų3249.3 Ų49.326%0.26426%0.258SS..Hα-helixtrans-64.4-42.2177.100000112.1I251 N252 L253 I257 C258 E259 L265I251-A255 VanDerWaalsContact O-CB 3.3Å; I251-A255 WeakPolarHBondContact O-CB 3.45Å; I251-A255 PolarHBondContact O-N 3.42Å; N252-A255 WeakPolarHBondContact O-CB 3.39Å; N252-A255 PolarHBondContact O-N 3.31Å; N252-A255 VanDerWaalsContact O-N 3.11Å; L253-A255 VanDerWaalsContact C-N 3.31Å; A255-I257 VanDerWaalsContact C-N 3.31Å; A255-I257 PolarHBondContact O-N 3.28Å; A255-C258 WeakPolarHBondContact O-CB 3.33Å; A255-C258 PolarHBondContact O-N 3.05Å; A255-C258 VanDerWaalsContact O-N 3.14Å; A255-E259 PolarHBondContact O-N 2.89Å; A255-L265 HydrophobicContact CB-CD2 3.71Å
256D98.8Very high97.8Very high97 Ų9750.3 Ų50.352%0.51926%0.263SS..Hα-helixtrans-60-41.8176-62.4-21.8000111.2N252 L253 E259 K260N252-D256 PolarHBondContact O-N 3.45Å; L253-D256 PolarHBondContact O-N 3.32Å; D256-E259 PolarHBondContact O-N 2.82Å; D256-K260 WeakPolarHBondContact O-CB 3.36Å; D256-K260 PolarHBondContact O-N 3.31Å
257I98.8Very high97.9Very high14 Ų1453.6 Ų53.67%0.07228%0.275CS..Hα-helixtrans-64.3-45.3174-65.1166.7000110.5P216 L219 E220 I223 L253 I254 A255 E259 K260 Y261P216-I257 HydrophobicContact CB-CD1 3.77Å; P216-I257 VanDerWaalsContact O-CD1 3.24Å; P216-I257 WeakPolarHBondContact O-CD1 3.24Å; L219-I257 HydrophobicContact CD2-CB 4.49Å; L219-I257 HydrophobicContact CD2-CD1 4.19Å; L219-I257 HydrophobicContact CD2-CG2 4.17Å; L219-I257 HydrophobicContact CG-CG2 4.34Å; E220-I257 HydrophobicContact CB-CD1 4.26Å; E220-I257 HydrophobicContact CB-CG2 4.44Å; I223-I257 HydrophobicContact CD1-CG2 3.57Å; L253-I257 WeakPolarHBondContact O-CG1 3.44Å; L253-I257 PolarHBondContact O-N 3.5Å; I254-I257 PolarHBondContact O-N 3.09Å; A255-I257 VanDerWaalsContact C-N 3.31Å; A255-I257 PolarHBondContact O-N 3.28Å; I257-E259 VanDerWaalsContact C-N 3.32Å; I257-E259 PolarHBondContact O-N 3.48Å; I257-K260 PolarHBondContact O-N 3.37Å; I257-Y261 HydrophobicContact CG2-CD2 3.89Å; I257-Y261 HydrophobicContact CG2-CE2 4.12Å; I257-Y261 VanDerWaalsContact O-CD2 3.31Å; I257-Y261 WeakPolarHBondContact O-CD2 3.42Å; I257-Y261 PolarHBondContact O-N 3.48Å; I257-Y261 VanDerWaalsContact O-N 3.12Å
258C98.7Very high97.7Very high5 Ų553.6 Ų53.63%0.03428%0.275CS..Hα-helixtrans-60.5-41.5178.3-74.20000112.3I254 A255 G262 L263 L265I254-C258 PolarHBondContact O-N 3.43Å; I254-C258 PolarHBondContact O-SG 2.72Å; A255-C258 WeakPolarHBondContact O-CB 3.33Å; A255-C258 PolarHBondContact O-N 3.05Å; A255-C258 VanDerWaalsContact O-N 3.14Å; C258-G262 WeakPolarHBondContact O-CA 3.5Å; C258-G262 PolarHBondContact O-N 2.81Å; C258-L263 HydrophobicContact CB-CB 4.07Å; C258-L263 PolarHBondContact O-N 2.77Å; C258-L265 HydrophobicContact CB-CB 4.25Å
259E98.5Very high97.2Very high164 Ų16454.4 Ų54.477%0.76628%0.278SS*.Hα-helixtrans-64.5-46.4175.9-175.1169.8-152.200111.3A255 D256 I257 Y261 G262A255-E259 PolarHBondContact O-N 2.89Å; D256-E259 PolarHBondContact O-N 2.82Å; I257-E259 VanDerWaalsContact C-N 3.32Å; I257-E259 PolarHBondContact O-N 3.48Å; E259-Y261 VanDerWaalsContact C-N 3.29Å; E259-Y261 PolarHBondContact O-N 3.11Å; E259-G262 PolarHBondContact O-N 3.41Å
260K98.6Very high95.9Very high140 Ų14054.6 Ų54.661%0.60928%0.279SS*.Hα-helixtrans-55.4-40.3178.4178.6178.7175.8-178.20113.3E220 D256 I257E220-K260 WeakPolarHBondContact OE1-CE 3.45Å; E220-K260 IonicContact OE1-NZ 2.77Å; E220-K260 PolarHBondContact OE1-NZ 3.13Å; D256-K260 WeakPolarHBondContact O-CB 3.36Å; D256-K260 PolarHBondContact O-N 3.31Å; I257-K260 PolarHBondContact O-N 3.37Å
261Y98.4Very high93.8Very high61 Ų6153 Ų5324%0.23927%0.268CS..Hα-helixtrans-103.20.4-176.5-65.4-77.1000114.4E220 I223 I257 E259E220-Y261 HydrophobicContact CG-CE2 3.88Å; E220-Y261 VanDerWaalsContact OE1-CE2 3.24Å; E220-Y261 WeakPolarHBondContact OE1-CE2 3.5Å; E220-Y261 PolarHBondContact OE1-OH 3.29Å; I223-Y261 HydrophobicContact CD1-CD2 4.35Å; I223-Y261 HydrophobicContact CG2-CD1 3.98Å; I223-Y261 HydrophobicContact CG2-CD2 4.1Å; I223-Y261 HydrophobicContact CG2-CE1 4.36Å; I223-Y261 HydrophobicContact CG2-CE2 4.48Å; I223-Y261 HydrophobicContact CG2-CG 3.86Å; I257-Y261 HydrophobicContact CG2-CD2 3.89Å; I257-Y261 HydrophobicContact CG2-CE2 4.12Å; I257-Y261 VanDerWaalsContact O-CD2 3.31Å; I257-Y261 WeakPolarHBondContact O-CD2 3.42Å; I257-Y261 PolarHBondContact O-N 3.48Å; I257-Y261 VanDerWaalsContact O-N 3.12Å; E259-Y261 VanDerWaalsContact C-N 3.29Å; E259-Y261 PolarHBondContact O-N 3.11Å
262G97.9Very high91.7Very high46 Ų4654.8 Ų54.847%0.47428%0.278SS..THydrogen-bonded Turntrans69.639.5179.600000114.1F162 C258 E259F162-G262 WeakPolarHBondContact CE1-O 3.31Å; F162-G262 WeakPolarHBondContact CZ-O 3.43Å; C258-G262 WeakPolarHBondContact O-CA 3.5Å; C258-G262 PolarHBondContact O-N 2.81Å; E259-G262 PolarHBondContact O-N 3.41Å
263L98.6Very high89.1Confident15 Ų1548.6 Ų48.68%0.07925%0.245CC..  trans-96.1148.3-177.4-65.7150.6000112.2I223 P233 V236 C258 L265I223-L263 HydrophobicContact CD1-CD1 3.48Å; I223-L263 VanDerWaalsContact CD1-CD1 3.48Å; I223-L263 HydrophobicContact CG1-CD1 4.12Å; P233-L263 HydrophobicContact CB-CD2 3.52Å; V236-L263 HydrophobicContact CG2-CB 4.32Å; V236-L263 HydrophobicContact CG2-CD1 4.05Å; V236-L263 HydrophobicContact CG2-CD2 4.46Å; C258-L263 HydrophobicContact CB-CB 4.07Å; C258-L263 PolarHBondContact O-N 2.77Å; L263-L265 PolarHBondContact O-N 3.18Å
264W98.6Very high86.3Confident42 Ų4244.3 Ų44.316%0.15922%0.223CC..EExtended strand (participates in β ladder)trans-73.2121.4167.4-173.4-78.6000110.8V157 A158 Y161 F162 F234 F235 V236 V288 L293V157-W264 HydrophobicContact CG1-CH2 3.78Å; V157-W264 HydrophobicContact CG1-CZ2 3.86Å; V157-W264 HydrophobicContact CG1-CZ3 4.48Å; A158-W264 HydrophobicContact CB-CB 3.67Å; A158-W264 HydrophobicContact CB-CD2 3.75Å; A158-W264 HydrophobicContact CB-CE3 4.31Å; A158-W264 HydrophobicContact CB-CG 3.44Å; A158-W264 VanDerWaalsContact CB-CG 3.44Å; Y161-W264 HydrophobicContact CD1-CE3 4.37Å; Y161-W264 HydrophobicContact CD2-CE3 4.45Å; Y161-W264 AromaticContact CD2-CZ3 3.82Å; Y161-W264 HydrophobicContact CD2-CZ3 3.82Å; Y161-W264 HydrophobicContact CE2-CZ3 4.34Å; Y161-W264 HydrophobicContact CG-CE3 4.13Å; Y161-W264 AromaticContact CG-CZ3 3.91Å; Y161-W264 HydrophobicContact CG-CZ3 3.91Å; F162-W264 HydrophobicContact CE2-CB 3.98Å; F234-W264 WeakPolarHBondContact O-CB 3.19Å; F234-W264 PolarHBondContact O-N 2.86Å; F235-W264 WeakPolarHBondContact CA-O 3.23Å; F235-W264 HydrophobicContact CD2-CB 4.31Å; F235-W264 AromaticContact CD2-CD1 3.73Å; F235-W264 HydrophobicContact CD2-CG 4.27Å; F235-W264 AromaticContact CE2-CD1 3.87Å; V236-W264 PolarHBondContact N-O 3.09Å; W264-V288 HydrophobicContact CH2-CG1 3.94Å; W264-V288 HydrophobicContact CZ2-CG1 4.13Å; W264-L293 HydrophobicContact CH2-CD2 3.65Å; W264-L293 HydrophobicContact CZ3-CD2 3.84Å
265L98.5Very high83.7Confident47 Ų4745.8 Ų45.825%0.24623%0.233CC..EExtended strand (participates in β ladder)trans-92.1112.2171.7178.959.6000111A238 I254 A255 C258 L263 R267A238-L265 HydrophobicContact CB-CD1 4Å; I254-L265 HydrophobicContact CG2-CD1 3.78Å; A255-L265 HydrophobicContact CB-CD2 3.71Å; C258-L265 HydrophobicContact CB-CB 4.25Å; L263-L265 PolarHBondContact O-N 3.18Å; L265-R267 HydrophobicContact CG-CG 4.31Å
266H97.8Very high81Confident25 Ų2544.7 Ų44.712%0.11622%0.223CC..EExtended strand (participates in β ladder)trans-96.9141.5165.5176.552.3000110.6N151 A154 F235 V236 N237 A238 S268N151-H266 PolarHBondContact OD1-NE2 3.3Å; A154-H266 HydrophobicContact CB-CB 4.46Å; F235-H266 HydrophobicContact CD2-CB 4.43Å; F235-H266 HydrophobicContact CE1-CB 4.22Å; F235-H266 HydrophobicContact CE2-CB 3.43Å; F235-H266 VanDerWaalsContact CE2-CB 3.43Å; F235-H266 HydrophobicContact CZ-CB 3.3Å; F235-H266 AromaticContact CZ-CD2 3.81Å; F235-H266 AromaticContact CZ-CG 3.79Å; V236-H266 PolarHBondContact O-N 3.3Å; N237-H266 WeakPolarHBondContact CA-O 3.25Å; N237-H266 PolarHBondContact OD1-CD2 2.9Å; A238-H266 PolarHBondContact N-O 3.15Å; H266-S268 PolarHBondContact NE2-OG 3.29Å; H266-S268 VanDerWaalsContact NE2-OG 3.1Å
267R94.8Very high78.3Confident68 Ų6841 Ų4126%0.25720%0.204SC..EExtended strand (participates in β ladder)trans-119.9112.3176.7-66.6172.4-65.8175.75.3108.8I132 W134 A238 I251 L265 F269I132-R267 VanDerWaalsContact CG2-NH2 3.32Å; W134-R267 VanDerWaalsContact CZ2-NH2 3.3Å; A238-R267 CarbonylContact O-C 3.59Å; A238-R267 WeakPolarHBondContact O-CA 3.5Å; I251-R267 HydrophobicContact CG2-CG 4.34Å; L265-R267 HydrophobicContact CG-CG 4.31Å; R267-F269 HydrophobicContact CB-CD2 4.38Å; R267-F269 HydrophobicContact CB-CE2 3.59Å; R267-F269 HydrophobicContact CB-CZ 4.09Å; R267-F269 WeakPolarHBondContact O-CD2 3.43Å
268S91.3Very high75.8Confident2 Ų243 Ų431%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-89.7118.1177-750000111.5N151 N237 A238 A240 H266 Y270N151-S268 PolarHBondContact OD1-OG 3Å; N237-S268 VanDerWaalsContact OD1-CB 3.3Å; N237-S268 WeakPolarHBondContact OD1-CB 3.38Å; N237-S268 PolarHBondContact OD1-OG 3.23Å; A238-S268 PolarHBondContact O-N 3.12Å; A240-S268 PolarHBondContact N-O 3.46Å; H266-S268 PolarHBondContact NE2-OG 3.29Å; H266-S268 VanDerWaalsContact NE2-OG 3.1Å; S268-Y270 VanDerWaalsContact CB-CE1 3.44Å; S268-Y270 WeakPolarHBondContact CB-OH 3.02Å; S268-Y270 PolarHBondContact OG-OH 3.49Å; S268-Y270 VanDerWaalsContact OG-OH 3.12Å
269F85.7Confident73.7Confident81 Ų8143.6 Ų43.636%0.35521%0.212SC..  trans-104.693.1175.7-62.3-94.2000110.5A240 R267 L272A240-F269 HydrophobicContact CB-CD1 3.33Å; A240-F269 HydrophobicContact CB-CE1 3.35Å; A240-F269 HydrophobicContact CB-CG 3.99Å; A240-F269 HydrophobicContact CB-CZ 4.03Å; R267-F269 HydrophobicContact CB-CD2 4.38Å; R267-F269 HydrophobicContact CB-CE2 3.59Å; R267-F269 HydrophobicContact CB-CZ 4.09Å; R267-F269 WeakPolarHBondContact O-CD2 3.43Å; F269-L272 HydrophobicContact CB-CD1 3.69Å; F269-L272 HydrophobicContact CB-CG 4.32Å; F269-L272 HydrophobicContact CD1-CD1 4.35Å; F269-L272 HydrophobicContact CG-CD1 4.17Å
270Y69.1Low71.9Confident10 Ų1036.7 Ų36.74%0.03918%0.181CC..  trans-83.9-22.9-176.2-50.5-53.9000113.7H186 V239 G241 T243 S268 R278H186-Y270 HydrophobicContact CB-CD1 4.13Å; H186-Y270 HydrophobicContact CB-CD2 4.4Å; H186-Y270 HydrophobicContact CB-CE1 3.48Å; H186-Y270 VanDerWaalsContact CB-CE1 3.48Å; H186-Y270 HydrophobicContact CB-CE2 3.77Å; H186-Y270 WeakPolarHBondContact CB-OH 3.42Å; H186-Y270 PolarHBondContact N-OH 3.36Å; V239-Y270 HydrophobicContact CB-CE2 4.35Å; V239-Y270 HydrophobicContact CG1-CD2 3.8Å; V239-Y270 HydrophobicContact CG1-CE2 3.52Å; V239-Y270 HydrophobicContact CG2-CE2 4.01Å; G241-Y270 WeakPolarHBondContact O-CB 3.27Å; G241-Y270 WeakPolarHBondContact O-CD2 3.1Å; T243-Y270 HydrophobicContact CG2-CD2 4.21Å; T243-Y270 HydrophobicContact CG2-CG 4.26Å; S268-Y270 VanDerWaalsContact CB-CE1 3.44Å; S268-Y270 WeakPolarHBondContact CB-OH 3.02Å; S268-Y270 PolarHBondContact OG-OH 3.49Å; S268-Y270 VanDerWaalsContact OG-OH 3.12Å; Y270-R278 PolarHBondContact O-NH1 3.03Å
271L55.7Low70.4Confident4 Ų435 Ų352%0.02118%0.183CC..  trans-108.413-165.3-96.4162.5000115.1L86 S242 G246 S273 F379 N381L86-L271 HydrophobicContact CD2-CD2 3.39Å; L86-L271 HydrophobicContact CD2-CG 3.96Å; S242-L271 WeakPolarHBondContact O-CD1 3.49Å; G246-L271 VanDerWaalsContact CA-CD1 3.48Å; L271-S273 PolarHBondContact O-N 2.92Å; L271-S273 PolarHBondContact O-OG 3.42Å; L271-F379 HydrophobicContact CB-CD1 3.78Å; L271-F379 HydrophobicContact CB-CE1 3.63Å; L271-F379 HydrophobicContact CD1-CD1 3.88Å; L271-F379 HydrophobicContact CD2-CD1 3.99Å; L271-F379 HydrophobicContact CD2-CE1 4.13Å; L271-F379 HydrophobicContact CG-CD1 4.1Å; L271-F379 HydrophobicContact CG-CE1 4.32Å; L271-F379 WeakPolarHBondContact O-CE1 3.08Å; L271-N381 VanDerWaalsContact CD1-OD1 3.25Å; L271-N381 WeakPolarHBondContact CD1-OD1 3.17Å; L271-N381 WeakPolarHBondContact CD2-OD1 3.25Å
272L52.1Low69.4Low75 Ų7536.7 Ų36.739%0.39319%0.192SC..G310 helixtrans-69.332.9165.6-72.4165.2000112.6F269 V274 S275F269-L272 HydrophobicContact CB-CD1 3.69Å; F269-L272 HydrophobicContact CB-CG 4.32Å; F269-L272 HydrophobicContact CD1-CD1 4.35Å; F269-L272 HydrophobicContact CG-CD1 4.17Å; L272-V274 PolarHBondContact O-N 3.37Å; L272-S275 WeakPolarHBondContact CD2-OG 3.46Å; L272-S275 WeakPolarHBondContact O-CA 3.47Å; L272-S275 WeakPolarHBondContact O-CB 3.26Å; L272-S275 PolarHBondContact O-N 3.47Å
273S42.9Very low69Low1 Ų134.9 Ų34.91%0.00717%0.172CC..G310 helixtrans-61.1-10.4162.229.70000113.7L86 L271L86-S273 WeakPolarHBondContact O-CB 3.21Å; L86-S273 PolarHBondContact O-OG 3.37Å; L271-S273 PolarHBondContact O-N 2.92Å; L271-S273 PolarHBondContact O-OG 3.42Å
274V40.7Very low68.6Low2 Ų234.9 Ų34.91%0.01217%0.174CC..G310 helixtrans-84.3-21.4167.3-108.20000113.8L272 Q349 V350 L353 F379 L380L272-V274 PolarHBondContact O-N 3.37Å; V274-Q349 PolarHBondContact O-NE2 3.1Å; V274-Q349 VanDerWaalsContact O-NE2 3.09Å; V274-V350 HydrophobicContact CB-CB 4.47Å; V274-V350 HydrophobicContact CB-CG2 3.53Å; V274-V350 HydrophobicContact CG1-CB 4.14Å; V274-V350 HydrophobicContact CG1-CG1 4.49Å; V274-V350 HydrophobicContact CG1-CG2 3.67Å; V274-V350 HydrophobicContact CG2-CG2 4.07Å; V274-L353 HydrophobicContact CG1-CB 4.36Å; V274-L353 HydrophobicContact CG1-CD1 3.29Å; V274-L353 HydrophobicContact CG1-CG 4.41Å; V274-F379 HydrophobicContact CG2-CE1 4.34Å; V274-F379 HydrophobicContact CG2-CZ 3.85Å; V274-L380 HydrophobicContact CG1-CD1 4Å; V274-L380 HydrophobicContact CG2-CD1 3.96Å
275S43.1Very low68.3Low31 Ų3134.1 Ų34.122%0.21717%0.173CC..SBendtrans-87.6153.8173.2-58.50000109.8L272 P277L272-S275 WeakPolarHBondContact CD2-OG 3.46Å; L272-S275 WeakPolarHBondContact O-CA 3.47Å; L272-S275 WeakPolarHBondContact O-CB 3.26Å; L272-S275 PolarHBondContact O-N 3.47Å; S275-P277 VanDerWaalsContact C-N 3.29Å; S275-P277 WeakPolarHBondContact O-CD 3.43Å
276P42.4Very low68.1Low9 Ų932.2 Ų32.26%0.05816%0.164CC..G310 helixtrans-49.9-29.6-175.26.3-15.3000117.9R278 L334 A337 W338 Y346P276-R278 VanDerWaalsContact C-N 3.31Å; P276-R278 PolarHBondContact O-N 2.79Å; P276-R278 VanDerWaalsContact O-N 3.15Å; P276-L334 HydrophobicContact CB-CD1 3.33Å; P276-L334 HydrophobicContact CG-CD1 3.21Å; P276-A337 HydrophobicContact CB-CB 4.21Å; P276-W338 HydrophobicContact CG-CD2 4.44Å; P276-W338 HydrophobicContact CG-CE3 4.01Å; P276-W338 HydrophobicContact CG-CZ3 4.49Å; P276-Y346 HydrophobicContact CB-CE1 4.29Å; P276-Y346 HydrophobicContact CB-CE2 4.48Å; P276-Y346 WeakPolarHBondContact CB-OH 3.33Å; P276-Y346 VanDerWaalsContact CD-CE1 3.43Å; P276-Y346 HydrophobicContact CG-CE1 3.98Å; P276-Y346 HydrophobicContact CG-CE2 3.63Å; P276-Y346 VanDerWaalsContact CG-OH 3.24Å; P276-Y346 WeakPolarHBondContact CG-OH 3.33Å
277P42.3Very low68Low18 Ų1832.5 Ų32.512%0.11717%0.166CC..G310 helixtrans-67.2-15.8-169.3-20.831000117S275 C283 L334S275-P277 VanDerWaalsContact C-N 3.29Å; S275-P277 WeakPolarHBondContact O-CD 3.43Å; P277-C283 CarbonylContact C-O 3.24Å; P277-C283 HydrophobicContact CB-CB 3.82Å; P277-C283 WeakPolarHBondContact CB-O 3.19Å; P277-C283 WeakPolarHBondContact O-CA 3.29Å; P277-C283 WeakPolarHBondContact O-CB 3.18Å; P277-C283 PolarHBondContact O-N 3.29Å; P277-L334 HydrophobicContact CG-CD1 4.1Å; P277-L334 HydrophobicContact CG-CD2 4.3Å
278R47.3Very low68.1Low57 Ų5729.4 Ų29.422%0.21516%0.155CC..G310 helixtrans-113.23.1-169.1-75.7-169.2-176-141.55116.2S87 Y270 P276S87-R278 WeakPolarHBondContact CB-O 3.18Å; S87-R278 PolarHBondContact OG-O 3.46Å; Y270-R278 PolarHBondContact O-NH1 3.03Å; P276-R278 VanDerWaalsContact C-N 3.31Å; P276-R278 PolarHBondContact O-N 2.79Å; P276-R278 VanDerWaalsContact O-N 3.15Å
279R54.1Low68.3Low17 Ų1735.7 Ų35.76%0.06418%0.179CC..THydrogen-bonded Turntrans-84-35.4178.8-69.6-169.7179.4153.37.7113.6D91 Q349D91-R279 HydrophobicContact CB-CB 4.37Å; D91-R279 IonicContact OD2-NH1 3.65Å; R279-Q349 VanDerWaalsContact CZ-NE2 3.34Å; R279-Q349 VanDerWaalsContact NH1-CD 3.26Å
280N60.4Low68.7Low19 Ų1936.4 Ų36.410%0.10218%0.181CC..SBendtrans-114.5114.3167.1-63.5-8000108S94 M95 E98 K333S94-N280 VanDerWaalsContact CB-ND2 3.28Å; S94-N280 WeakPolarHBondContact CB-ND2 3.32Å; S94-N280 PolarHBondContact O-ND2 3.41Å; M95-N280 VanDerWaalsContact CA-ND2 3.32Å; M95-N280 WeakPolarHBondContact CA-ND2 3.42Å; M95-N280 PolarHBondContact N-ND2 3.06Å; E98-N280 HydrophobicContact CG-CB 4.08Å; E98-N280 VanDerWaalsContact OE1-CB 3.25Å; E98-N280 WeakPolarHBondContact OE1-CB 3.41Å; N280-K333 HydrophobicContact CB-CD 4.42Å
281T66.8Low69.8Low106 Ų10642 Ų4265%0.6521%0.208SC*.SBendtrans-77134.3-178.948.90000110.3
282Q78.5Confident71.6Confident95 Ų9542.8 Ų42.844%0.44422%0.217SC..  cis-100.8153.40.1-62.7180-35.500111.4P145 D330 K333P145-Q282 PolarHBondContact O-NE2 3.08Å; P145-Q282 PolarHBondContact O-OE1 3.37Å; Q282-D330 VanDerWaalsContact O-CG 3.22Å; Q282-K333 WeakPolarHBondContact O-CE 3.49Å; Q282-K333 PolarHBondContact O-NZ 3.44Å
283C87.9Confident73.6Confident8 Ų839.4 Ų39.45%0.05420%0.199CC..  trans-159.1117155.9-1790000107.4P277 D330 L334P277-C283 CarbonylContact C-O 3.24Å; P277-C283 HydrophobicContact CB-CB 3.82Å; P277-C283 WeakPolarHBondContact CB-O 3.19Å; P277-C283 WeakPolarHBondContact O-CA 3.29Å; P277-C283 WeakPolarHBondContact O-CB 3.18Å; P277-C283 PolarHBondContact O-N 3.29Å; C283-D330 HydrophobicContact CB-CB 4.23Å; C283-D330 PolarHBondContact SG-O 3.03Å; C283-L334 VanDerWaalsContact SG-CD2 3.57Å
284S90.9Very high76.2Confident15 Ų1539.3 Ų39.311%0.10520%0.199CC..EExtended strand (participates in β ladder)trans-142.7148-177.8-173.80000108.5L143 C144 G147 S150L143-S284 CarbonylContact C-O 3.48Å; L143-S284 WeakPolarHBondContact CA-O 3.43Å; C144-S284 PolarHBondContact N-O 2.7Å; C144-S284 WeakPolarHBondContact O-CB 3.45Å; G147-S284 VanDerWaalsContact CA-OG 3.25Å; G147-S284 WeakPolarHBondContact CA-OG 3.47Å; G147-S284 PolarHBondContact N-OG 3.23Å; S150-S284 PolarHBondContact OG-OG 2.97Å
285V92.3Very high78.7Confident26 Ų2642.6 Ų42.616%0.15821%0.213CC..EExtended strand (participates in β ladder)trans-127.4131.2-177.4-1680000109I125 M128 L143 L287I125-V285 HydrophobicContact CG1-CG1 4.35Å; M128-V285 HydrophobicContact CE-CB 3.95Å; M128-V285 HydrophobicContact CE-CG1 4.43Å; M128-V285 HydrophobicContact CE-CG2 3.84Å; M128-V285 HydrophobicContact SD-CB 4.28Å; M128-V285 HydrophobicContact SD-CG1 4.37Å; M128-V285 HydrophobicContact SD-CG2 3.77Å; L143-V285 HydrophobicContact CD1-CG1 4.39Å; L143-V285 HydrophobicContact CD1-CG2 3.93Å; L143-V285 HydrophobicContact CG-CG2 4.02Å; V285-L287 HydrophobicContact CG1-CD2 3.46Å; V285-L287 VanDerWaalsContact CG1-CD2 3.46Å; V285-L287 HydrophobicContact CG1-CG 3.87Å
286C94.7Very high81.2Confident7 Ų745.9 Ų45.95%0.04723%0.225CC..EExtended strand (participates in β ladder)trans-97.9119.6164.4-176.80000107.7G141 I142 F153G141-C286 CarbonylContact C-O 3.55Å; G141-C286 WeakPolarHBondContact CA-O 3.43Å; I142-C286 HydrophobicContact CG2-CB 4.24Å; I142-C286 PolarHBondContact N-O 3.16Å; I142-C286 PolarHBondContact O-N 3.16Å; F153-C286 HydrophobicContact CB-CB 4.39Å
287L95.6Very high83.7Confident32 Ų3245.8 Ų45.817%0.16822%0.224CC..EExtended strand (participates in β ladder)trans-110.6136177.7-60.2175.8000109I125 M128 I132 W134 D140 V285I125-L287 HydrophobicContact CG1-CD2 4.45Å; I125-L287 HydrophobicContact CG2-CD2 3.92Å; M128-L287 HydrophobicContact CB-CD1 3.85Å; M128-L287 HydrophobicContact CE-CD1 4.32Å; I132-L287 HydrophobicContact CD1-CD1 3.41Å; I132-L287 VanDerWaalsContact CD1-CD1 3.41Å; W134-L287 HydrophobicContact CH2-CB 4.06Å; W134-L287 HydrophobicContact CZ3-CB 3.75Å; D140-L287 WeakPolarHBondContact O-CA 3.28Å; V285-L287 HydrophobicContact CG1-CD2 3.46Å; V285-L287 VanDerWaalsContact CG1-CD2 3.46Å; V285-L287 HydrophobicContact CG1-CG 3.87Å
288V96.7Very high86.3Confident3 Ų345.5 Ų45.52%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-128.3127.4-175.6178.10000109.1D140 V157 W264 K290 L293 L294D140-V288 HydrophobicContact CB-CB 4.31Å; D140-V288 PolarHBondContact N-O 3.38Å; D140-V288 PolarHBondContact O-N 2.7Å; V157-V288 HydrophobicContact CG1-CG1 3.88Å; V157-V288 HydrophobicContact CG1-CG2 4.2Å; V157-V288 HydrophobicContact CG2-CG2 4.41Å; W264-V288 HydrophobicContact CH2-CG1 3.94Å; W264-V288 HydrophobicContact CZ2-CG1 4.13Å; V288-K290 HydrophobicContact CG1-CB 4.45Å; V288-K290 PolarHBondContact O-N 3.36Å; V288-L293 HydrophobicContact CG1-CB 4.31Å; V288-L293 HydrophobicContact CG1-CD2 4.09Å; V288-L294 HydrophobicContact CB-CG 4.46Å; V288-L294 HydrophobicContact CG2-CD1 4.06Å; V288-L294 HydrophobicContact CG2-CD2 4.12Å; V288-L294 HydrophobicContact CG2-CG 3.91Å
289R94.6Very high88.4Confident134 Ų13445.8 Ų45.851%0.50623%0.225SC..SBendtrans-83.751.2179.5-162.3-171.8171.8178.4-3.6111.9W134 E138W134-R289 HydrophobicContact CD2-CB 3.95Å; W134-R289 HydrophobicContact CD2-CG 3.83Å; W134-R289 HydrophobicContact CE3-CB 4.04Å; W134-R289 HydrophobicContact CE3-CG 4.24Å; W134-R289 HydrophobicContact CG-CG 4.01Å; W134-R289 HydrophobicContact CH2-CB 3.88Å; W134-R289 HydrophobicContact CZ2-CB 3.75Å; W134-R289 HydrophobicContact CZ2-CG 4.4Å; W134-R289 HydrophobicContact CZ3-CB 4.01Å; E138-R289 HydrophobicContact CB-CG 4.25Å; E138-R289 CarbonylContact O-C 3.49Å; E138-R289 VanDerWaalsContact O-C 3.24Å; E138-R289 VanDerWaalsContact O-CA 3.23Å; E138-R289 WeakPolarHBondContact O-CA 3.26Å; E138-R289 IonicContact OE2-CZ 3.57Å; E138-R289 VanDerWaalsContact OE2-CZ 3.27Å; E138-R289 IonicContact OE2-NE 3.68Å; E138-R289 PolarHBondContact OE2-NE 2.93Å; E138-R289 IonicContact OE2-NH2 2.99Å; E138-R289 PolarHBondContact OE2-NH2 3.43Å
290K93.7Very high90.2Very high95 Ų9552.1 Ų52.141%0.41326%0.258SS..SBendtrans-166.8110.2174-160.7160.8-173.2178.20109.1E138 Y161 V288 G292 L293E138-K290 PolarHBondContact O-N 3.17Å; Y161-K290 HydrophobicContact CD2-CD 4.02Å; Y161-K290 HydrophobicContact CE2-CD 3.64Å; V288-K290 HydrophobicContact CG1-CB 4.45Å; V288-K290 PolarHBondContact O-N 3.36Å; K290-G292 PolarHBondContact O-N 3.37Å; K290-L293 HydrophobicContact CB-CB 4.11Å; K290-L293 HydrophobicContact CB-CD2 4.11Å; K290-L293 HydrophobicContact CD-CD2 4.35Å; K290-L293 HydrophobicContact CG-CB 4.44Å; K290-L293 WeakPolarHBondContact O-CB 3.27Å; K290-L293 PolarHBondContact O-N 3.46Å
291E92.5Very high91.4Very high128 Ų12854.6 Ų54.660%0.59828%0.276SS*.THydrogen-bonded Turntrans-60.3134.8-179.5-170.8170.3-171.900111.4L293E291-L293 VanDerWaalsContact C-N 3.26Å; E291-L293 PolarHBondContact O-N 2.94Å
292G93.7Very high92.3Very high20 Ų2050.6 Ų50.621%0.20625%0.253CS..THydrogen-bonded Turntrans81.9-7.5175.900000114.8D140 K290 L294 F295 Q296D140-G292 PolarHBondContact OD2-N 3.21Å; D140-G292 VanDerWaalsContact OD2-N 3.12Å; K290-G292 PolarHBondContact O-N 3.37Å; G292-L294 PolarHBondContact O-N 2.96Å; G292-F295 WeakPolarHBondContact O-CB 3.26Å; G292-F295 PolarHBondContact O-N 3.29Å; G292-Q296 VanDerWaalsContact O-CG 3.32Å; G292-Q296 WeakPolarHBondContact O-CG 3.36Å; G292-Q296 PolarHBondContact O-N 2.84Å
293L95.6Very high92.7Very high4 Ų453 Ų532%0.02127%0.27CS..Hα-helixtrans-69.1-34-177.6-171.663.4000112.4V157 Y161 W264 V288 K290 E291 F295 C297V157-L293 HydrophobicContact CG1-CD2 3.42Å; V157-L293 VanDerWaalsContact CG1-CD2 3.42Å; V157-L293 HydrophobicContact CG1-CG 3.87Å; Y161-L293 HydrophobicContact CD2-CD1 4.41Å; Y161-L293 HydrophobicContact CD2-CD2 3.91Å; W264-L293 HydrophobicContact CH2-CD2 3.65Å; W264-L293 HydrophobicContact CZ3-CD2 3.84Å; V288-L293 HydrophobicContact CG1-CB 4.31Å; V288-L293 HydrophobicContact CG1-CD2 4.09Å; K290-L293 HydrophobicContact CB-CB 4.11Å; K290-L293 HydrophobicContact CB-CD2 4.11Å; K290-L293 HydrophobicContact CD-CD2 4.35Å; K290-L293 HydrophobicContact CG-CB 4.44Å; K290-L293 WeakPolarHBondContact O-CB 3.27Å; K290-L293 PolarHBondContact O-N 3.46Å; E291-L293 VanDerWaalsContact C-N 3.26Å; E291-L293 PolarHBondContact O-N 2.94Å; L293-F295 VanDerWaalsContact C-N 3.3Å; L293-F295 PolarHBondContact O-N 3.37Å; L293-C297 WeakPolarHBondContact O-CB 3.24Å; L293-C297 PolarHBondContact O-N 2.91Å
294L96.3Very high92.6Very high0 Ų060.6 Ų60.60%030%0.298CS..Hα-helixtrans-63.5-39.4172.4-78.5168.2000111.4D140 I142 F153 V157 V288 G292 N298 K321D140-L294 HydrophobicContact CB-CD1 4.41Å; I142-L294 HydrophobicContact CB-CD1 4.28Å; I142-L294 HydrophobicContact CG2-CD1 4.11Å; I142-L294 HydrophobicContact CG2-CD2 4.46Å; F153-L294 HydrophobicContact CD1-CD2 4.29Å; V157-L294 HydrophobicContact CG2-CD2 3.63Å; V157-L294 HydrophobicContact CG2-CG 4.42Å; V288-L294 HydrophobicContact CB-CG 4.46Å; V288-L294 HydrophobicContact CG2-CD1 4.06Å; V288-L294 HydrophobicContact CG2-CD2 4.12Å; V288-L294 HydrophobicContact CG2-CG 3.91Å; G292-L294 PolarHBondContact O-N 2.96Å; L294-N298 WeakPolarHBondContact O-CB 3.18Å; L294-N298 PolarHBondContact O-N 2.64Å; L294-N298 VanDerWaalsContact O-N 3.12Å; L294-N298 PolarHBondContact O-ND2 2.77Å; L294-K321 HydrophobicContact CB-CB 4.12Å; L294-K321 HydrophobicContact CB-CG 4.43Å
295F94.4Very high92.3Very high70 Ų7061 Ų6131%0.30730%0.299SS..Hα-helixtrans-65.7-52.8176.9-165.1-93.9000110.6G292 L293 C297 N298 Q299 D320 K321G292-F295 WeakPolarHBondContact O-CB 3.26Å; G292-F295 PolarHBondContact O-N 3.29Å; L293-F295 VanDerWaalsContact C-N 3.3Å; L293-F295 PolarHBondContact O-N 3.37Å; F295-C297 VanDerWaalsContact C-N 3.27Å; F295-C297 PolarHBondContact O-N 3.35Å; F295-N298 PolarHBondContact O-N 2.81Å; F295-Q299 HydrophobicContact CD1-CB 4.23Å; F295-Q299 HydrophobicContact CE1-CB 4.12Å; F295-Q299 HydrophobicContact CZ-CB 4.43Å; F295-Q299 WeakPolarHBondContact O-CB 3.26Å; F295-Q299 WeakPolarHBondContact O-CG 3.49Å; F295-Q299 PolarHBondContact O-N 2.92Å; F295-D320 HydrophobicContact CD2-CB 3.92Å; F295-D320 HydrophobicContact CE2-CB 3.42Å; F295-D320 VanDerWaalsContact CE2-CB 3.42Å; F295-D320 HydrophobicContact CZ-CB 3.98Å; F295-K321 HydrophobicContact CB-CG 4.15Å; F295-K321 HydrophobicContact CD2-CG 3.99Å
296Q94.4Very high92.1Very high100 Ų10060.7 Ų60.747%0.46730%0.295SS..Hα-helixtrans-55.1-43.8177.7-69167.617.300112.2K167 G292K167-Q296 PolarHBondContact NZ-O 2.78Å; G292-Q296 VanDerWaalsContact O-CG 3.32Å; G292-Q296 WeakPolarHBondContact O-CG 3.36Å; G292-Q296 PolarHBondContact O-N 2.84Å
297C95.6Very high91.8Very high7 Ų763.7 Ų63.75%0.04731%0.309CS..Hα-helixtrans-64.3-42.1-179.4-176.50000112.7N156 V157 H160 K167 L293 F295N156-C297 PolarHBondContact ND2-SG 3.37Å; V157-C297 HydrophobicContact CG2-CB 4.5Å; H160-C297 HydrophobicContact CB-CB 4.07Å; K167-C297 WeakPolarHBondContact CE-O 3.28Å; L293-C297 WeakPolarHBondContact O-CB 3.24Å; L293-C297 PolarHBondContact O-N 2.91Å; F295-C297 VanDerWaalsContact C-N 3.27Å; F295-C297 PolarHBondContact O-N 3.35Å
298N95.6Very high91.6Very high13 Ų1368.9 Ų68.97%0.0733%0.332CS..Hα-helixtrans-110.5-18.1-166.3-58.4-56.4000114.9N156 L294 F295 M300 D320 K321N156-N298 PolarHBondContact ND2-OD1 2.96Å; L294-N298 WeakPolarHBondContact O-CB 3.18Å; L294-N298 PolarHBondContact O-N 2.64Å; L294-N298 VanDerWaalsContact O-N 3.12Å; L294-N298 PolarHBondContact O-ND2 2.77Å; F295-N298 PolarHBondContact O-N 2.81Å; N298-M300 PolarHBondContact O-N 3.22Å; N298-D320 CarbonylContact C-O 3.54Å; N298-K321 PolarHBondContact ND2-O 3.27Å
299Q93.1Very high91.4Very high62 Ų6275.6 Ų75.629%0.2937%0.368SS..  trans-54.2133.6-174.967.3-17937.100111.4K167 F295 D320K167-Q299 VanDerWaalsContact CE-O 3.32Å; K167-Q299 WeakPolarHBondContact CE-O 3.44Å; K167-Q299 VanDerWaalsContact NZ-CG 3.27Å; K167-Q299 PolarHBondContact NZ-O 3.49Å; F295-Q299 HydrophobicContact CD1-CB 4.23Å; F295-Q299 HydrophobicContact CE1-CB 4.12Å; F295-Q299 HydrophobicContact CZ-CB 4.43Å; F295-Q299 WeakPolarHBondContact O-CB 3.26Å; F295-Q299 WeakPolarHBondContact O-CG 3.49Å; F295-Q299 PolarHBondContact O-N 2.92Å; Q299-D320 WeakPolarHBondContact CA-O 3.23Å; Q299-D320 HydrophobicContact CB-CB 4.08Å; Q299-D320 PolarHBondContact N-O 2.91Å; Q299-D320 VanDerWaalsContact N-O 3.11Å
300M90.9Very high91.3Very high150 Ų15070.4 Ų70.474%0.73935%0.349SS*.  trans-120.6-4.1168.2-65.8-62.1-7200112N298 A302 D320N298-M300 PolarHBondContact O-N 3.22Å; M300-A302 VanDerWaalsContact C-N 3.35Å; M300-A302 PolarHBondContact O-N 2.72Å; M300-D320 PolarHBondContact N-OD1 2.92Å
301C86.1Confident91.4Very high71 Ų7172.3 Ų72.348%0.4837%0.371SS..  trans5449.7175.6-55.60000111.9D303 D320C301-D303 PolarHBondContact O-N 3.45Å; C301-D303 VanDerWaalsContact O-N 3.14Å; C301-D320 PolarHBondContact N-OD1 3.27Å; C301-D320 PolarHBondContact N-OD2 2.97Å
302A86.3Confident91.6Very high22 Ų2268.8 Ų68.818%0.18235%0.353CS..  trans-66.6111.118000000111.3M300 Y304 L305 F306M300-A302 VanDerWaalsContact C-N 3.35Å; M300-A302 PolarHBondContact O-N 2.72Å; A302-Y304 HydrophobicContact CB-CD1 4.04Å; A302-Y304 HydrophobicContact CB-CE1 3.62Å; A302-Y304 PolarHBondContact O-N 3.28Å; A302-L305 PolarHBondContact O-N 2.76Å; A302-F306 HydrophobicContact CB-CD2 4.33Å; A302-F306 PolarHBondContact O-N 3.39Å
303D85.9Confident91.7Very high147 Ų14772.2 Ų72.279%0.78637%0.366SS*.THydrogen-bonded Turntrans-56.1-28.6-175.4-65.2-41.7000113.9C301 L305C301-D303 PolarHBondContact O-N 3.45Å; C301-D303 VanDerWaalsContact O-N 3.14Å; D303-L305 VanDerWaalsContact C-N 3.26Å; D303-L305 PolarHBondContact O-N 3.45Å
304Y85.2Confident91.6Very high167 Ų16773.5 Ų73.566%0.65537%0.374SS*.THydrogen-bonded Turntrans-75.6-11.9-179.266-98.5000113.9A302 Q307A302-Y304 HydrophobicContact CB-CD1 4.04Å; A302-Y304 HydrophobicContact CB-CE1 3.62Å; A302-Y304 PolarHBondContact O-N 3.28Å; Y304-Q307 PolarHBondContact O-NE2 3Å
305L86Confident91.4Very high22 Ų2277.4 Ų77.412%0.11540%0.402CS..THydrogen-bonded Turntrans-127.6-37.3-171.4-162.559.8000114F109 T110 A302 D303 Q307 K310F109-L305 HydrophobicContact CB-CD2 4.27Å; F109-L305 HydrophobicContact CD2-CD1 3.65Å; F109-L305 HydrophobicContact CD2-CD2 4.17Å; F109-L305 HydrophobicContact CD2-CG 4.15Å; F109-L305 HydrophobicContact CE2-CD1 3.52Å; F109-L305 HydrophobicContact CE2-CG 4.49Å; F109-L305 HydrophobicContact CG-CD1 4.36Å; F109-L305 HydrophobicContact CG-CD2 4.13Å; F109-L305 HydrophobicContact CZ-CD1 4.1Å; T110-L305 HydrophobicContact CG2-CD1 4.44Å; T110-L305 HydrophobicContact CG2-CG 4.38Å; A302-L305 PolarHBondContact O-N 2.76Å; D303-L305 VanDerWaalsContact C-N 3.26Å; D303-L305 PolarHBondContact O-N 3.45Å; L305-Q307 PolarHBondContact O-OE1 2.79Å; L305-K310 PolarHBondContact O-NZ 3.35Å
306F87.3Confident91.4Very high20 Ų2077.4 Ų77.49%0.08840%0.4CS..  trans-114.754.2-173.6-53.4-65.5000111.4T110 A302 Q308 D317 G319 D320T110-F306 HydrophobicContact CG2-CD1 4.36Å; T110-F306 HydrophobicContact CG2-CE1 4.24Å; A302-F306 HydrophobicContact CB-CD2 4.33Å; A302-F306 PolarHBondContact O-N 3.39Å; F306-Q308 PolarHBondContact O-N 3.04Å; F306-Q308 PolarHBondContact O-NE2 3.03Å; F306-D317 HydrophobicContact CD1-CB 4.1Å; F306-D317 HydrophobicContact CE1-CB 4.4Å; F306-G319 VanDerWaalsContact CZ-C 3.48Å; F306-D320 HydrophobicContact CD2-CB 4.46Å; F306-D320 VanDerWaalsContact CD2-OD2 3.26Å; F306-D320 WeakPolarHBondContact CD2-OD2 3.25Å; F306-D320 HydrophobicContact CE2-CB 4.23Å; F306-D320 VanDerWaalsContact CE2-CG 3.5Å; F306-D320 WeakPolarHBondContact CE2-OD1 3.16Å; F306-D320 HydrophobicContact CZ-CB 4.39Å
307Q88.9Confident91.5Very high70 Ų7073.1 Ų73.133%0.32738%0.38SS..  trans-58.1133.1172.3-57.485.8-5.900109.9Y304 L305 D309 K310 V314Y304-Q307 PolarHBondContact O-NE2 3Å; L305-Q307 PolarHBondContact O-OE1 2.79Å; Q307-D309 WeakPolarHBondContact CB-OD1 3.22Å; Q307-K310 HydrophobicContact CB-CG 4.04Å; Q307-K310 WeakPolarHBondContact O-CG 3.34Å; Q307-V314 WeakPolarHBondContact O-CG1 3.46Å
308Q90.3Very high91.4Very high142 Ų14273.7 Ų73.766%0.66438%0.384SS*.THydrogen-bonded Turntrans-88.7-11.5-176.4-60.3-59.5-60.800113.1F306F306-Q308 PolarHBondContact O-N 3.04Å; F306-Q308 PolarHBondContact O-NE2 3.03Å
309D92.5Very high91.3Very high144 Ų14473.3 Ų73.377%0.7738%0.383SS*.THydrogen-bonded Turntrans-99.820.6-17862.5-30000113.1Q307Q307-D309 WeakPolarHBondContact CB-OD1 3.22Å
310K93.5Very high91.2Very high25 Ų2571 Ų7111%0.10937%0.372CS..  trans-64.7153.1176.9-66.8-173.9-166.5176.40111.8E112 L305 Q307 Y312 V314 D317E112-K310 IonicContact OE2-NZ 2.75Å; L305-K310 PolarHBondContact O-NZ 3.35Å; Q307-K310 HydrophobicContact CB-CG 4.04Å; Q307-K310 WeakPolarHBondContact O-CG 3.34Å; K310-Y312 HydrophobicContact CB-CD1 4.09Å; K310-Y312 HydrophobicContact CB-CE1 3.87Å; K310-Y312 HydrophobicContact CD-CE1 3.67Å; K310-Y312 HydrophobicContact CD-CE2 4.18Å; K310-Y312 WeakPolarHBondContact CD-OH 3.49Å; K310-Y312 HydrophobicContact CG-CE1 4.31Å; K310-Y312 PolarHBondContact NZ-OH 2.97Å; K310-Y312 PolarHBondContact O-N 2.97Å; K310-V314 HydrophobicContact CB-CG1 3.86Å; K310-V314 HydrophobicContact CD-CG1 4.21Å; K310-V314 HydrophobicContact CG-CG1 4.24Å; K310-D317 IonicContact NZ-OD2 3.36Å; K310-D317 PolarHBondContact NZ-OD2 3.28Å
311P95.1Very high91.4Very high135 Ų13565.9 Ų65.988%0.87735%0.346SS*.SBendtrans-76.519.2-178.633.5-37.7000114
312Y96.3Very high91.8Very high54 Ų5462.9 Ų62.921%0.21233%0.326CS..SBendtrans-144.9168.3178.762.3-94.5000110.5Y111 E112 K310 V314 D317Y111-Y312 AromaticContact CD1-CD2 3.91Å; Y111-Y312 HydrophobicContact CD1-CD2 3.91Å; Y111-Y312 HydrophobicContact CD1-CE2 4.11Å; Y111-Y312 HydrophobicContact CD1-CG 4.22Å; Y111-Y312 HydrophobicContact CG-CD2 4.47Å; Y111-Y312 HydrophobicContact CG-CE2 4.41Å; E112-Y312 HydrophobicContact CB-CE1 3.92Å; E112-Y312 VanDerWaalsContact CB-OH 3.25Å; E112-Y312 WeakPolarHBondContact CB-OH 3.46Å; E112-Y312 PolarHBondContact N-OH 2.73Å; K310-Y312 HydrophobicContact CB-CD1 4.09Å; K310-Y312 HydrophobicContact CB-CE1 3.87Å; K310-Y312 HydrophobicContact CD-CE1 3.67Å; K310-Y312 HydrophobicContact CD-CE2 4.18Å; K310-Y312 WeakPolarHBondContact CD-OH 3.49Å; K310-Y312 HydrophobicContact CG-CE1 4.31Å; K310-Y312 PolarHBondContact NZ-OH 2.97Å; K310-Y312 PolarHBondContact O-N 2.97Å; Y312-V314 PolarHBondContact O-N 3.31Å; Y312-V314 VanDerWaalsContact O-N 3.08Å; Y312-D317 PolarHBondContact OH-OD1 2.75Å; Y312-D317 PolarHBondContact OH-OD2 3.07Å
313D95.8Very high92.1Very high91 Ų9166.4 Ų66.449%0.48735%0.345SS..  trans-67.2105.4177.1179.11.3000111.3S315 Y316D313-S315 PolarHBondContact O-N 3.14Å; D313-S315 VanDerWaalsContact O-N 3.16Å; D313-S315 WeakPolarHBondContact OD1-CB 3.21Å; D313-S315 PolarHBondContact OD1-N 2.6Å; D313-S315 PolarHBondContact OD1-OG 3.48Å; D313-S315 PolarHBondContact OD2-OG 3.14Å; D313-Y316 HydrophobicContact CB-CD2 4.01Å; D313-Y316 HydrophobicContact CB-CE2 4.23Å; D313-Y316 WeakPolarHBondContact O-CD2 3.02Å; D313-Y316 PolarHBondContact O-N 2.7Å; D313-Y316 WeakPolarHBondContact OD2-CE2 3.44Å
314V94.1Very high92.4Very high32 Ų3261.6 Ų61.619%0.19432%0.318CS..G310 helixtrans-67.9-9.6-177.9-61.80000113.6Q307 K310 Y312 Y316 D317Q307-V314 WeakPolarHBondContact O-CG1 3.46Å; K310-V314 HydrophobicContact CB-CG1 3.86Å; K310-V314 HydrophobicContact CD-CG1 4.21Å; K310-V314 HydrophobicContact CG-CG1 4.24Å; Y312-V314 PolarHBondContact O-N 3.31Å; Y312-V314 VanDerWaalsContact O-N 3.08Å; V314-Y316 PolarHBondContact O-N 2.74Å; V314-Y316 VanDerWaalsContact O-N 3.14Å; V314-D317 WeakPolarHBondContact O-CB 3.21Å; V314-D317 PolarHBondContact O-N 3.15Å
315S92.2Very high92.7Very high82 Ų8257 Ų5757%0.57331%0.31SS*.G310 helixtrans-64-15.7172.973.10000113.2D313 D317D313-S315 PolarHBondContact O-N 3.14Å; D313-S315 VanDerWaalsContact O-N 3.16Å; D313-S315 WeakPolarHBondContact OD1-CB 3.21Å; D313-S315 PolarHBondContact OD1-N 2.6Å; D313-S315 PolarHBondContact OD1-OG 3.48Å; D313-S315 PolarHBondContact OD2-OG 3.14Å; S315-D317 VanDerWaalsContact C-N 3.34Å
316Y95Very high93Very high70 Ų7058.1 Ų58.128%0.27533%0.326SS..G310 helixtrans-80.3-10.9171.3-72.1-87.6000113.7Y111 V118 L119 K122 D313 V314 T318Y111-Y316 HydrophobicContact CD2-CG 4.49Å; V118-Y316 HydrophobicContact CG1-CD1 4.36Å; V118-Y316 VanDerWaalsContact CG1-O 3.24Å; V118-Y316 WeakPolarHBondContact CG1-O 3.38Å; L119-Y316 HydrophobicContact CD2-CD1 3.8Å; L119-Y316 HydrophobicContact CD2-CE1 3.49Å; L119-Y316 VanDerWaalsContact CD2-CE1 3.49Å; K122-Y316 HydrophobicContact CD-CE1 4.02Å; K122-Y316 PolarHBondContact NZ-OH 3.04Å; D313-Y316 HydrophobicContact CB-CD2 4.01Å; D313-Y316 HydrophobicContact CB-CE2 4.23Å; D313-Y316 WeakPolarHBondContact O-CD2 3.02Å; D313-Y316 PolarHBondContact O-N 2.7Å; D313-Y316 WeakPolarHBondContact OD2-CE2 3.44Å; V314-Y316 PolarHBondContact O-N 2.74Å; V314-Y316 VanDerWaalsContact O-N 3.14Å; Y316-T318 PolarHBondContact O-N 2.91Å
317D95.2Very high93.3Very high9 Ų957.5 Ų57.55%0.04832%0.323CS..  trans-77.3109.4172.5-69.8-11.9000109.4T110 Y111 F306 K310 Y312 V314 S315T110-D317 WeakPolarHBondContact CA-OD1 3.35Å; T110-D317 VanDerWaalsContact CB-OD1 3.29Å; T110-D317 WeakPolarHBondContact CB-OD1 3.49Å; T110-D317 HydrophobicContact CG2-CB 4.26Å; Y111-D317 PolarHBondContact N-OD1 3.5Å; F306-D317 HydrophobicContact CD1-CB 4.1Å; F306-D317 HydrophobicContact CE1-CB 4.4Å; K310-D317 IonicContact NZ-OD2 3.36Å; K310-D317 PolarHBondContact NZ-OD2 3.28Å; Y312-D317 PolarHBondContact OH-OD1 2.75Å; Y312-D317 PolarHBondContact OH-OD2 3.07Å; V314-D317 WeakPolarHBondContact O-CB 3.21Å; V314-D317 PolarHBondContact O-N 3.15Å; S315-D317 VanDerWaalsContact C-N 3.34Å
318T94Very high93.6Very high19 Ų1958.8 Ų58.812%0.11733%0.329CS..  trans-99.2-1.7-172.956.60000113.8M108 F109 Y316 D320 K321 R327M108-T318 PolarHBondContact O-OG1 3.45Å; F109-T318 PolarHBondContact O-N 3.32Å; Y316-T318 PolarHBondContact O-N 2.91Å; T318-D320 VanDerWaalsContact C-N 3.3Å; T318-D320 PolarHBondContact O-N 3.47Å; T318-K321 VanDerWaalsContact O-CB 3.28Å; T318-K321 WeakPolarHBondContact O-CB 3.34Å; T318-K321 PolarHBondContact O-N 2.72Å; T318-R327 PolarHBondContact OG1-NH2 3.16Å
319G92.9Very high93.6Very high6 Ų652.1 Ų52.16%0.06230%0.298CS..G310 helixtrans-61.4-33.8-175.400000114F109 F306 K321 T322F109-G319 PolarHBondContact O-N 3.48Å; F306-G319 VanDerWaalsContact CZ-C 3.48Å; G319-K321 PolarHBondContact O-N 3.05Å; G319-T322 WeakPolarHBondContact O-CG2 3.35Å; G319-T322 PolarHBondContact O-N 3.07Å
320D92.6Very high93.7Very high12 Ų1245.9 Ų45.96%0.06426%0.264CS..G310 helixtrans-74.1-3.4176.1-99.1-27.1000113.5F295 N298 Q299 M300 C301 F306 T318 T322F295-D320 HydrophobicContact CD2-CB 3.92Å; F295-D320 HydrophobicContact CE2-CB 3.42Å; F295-D320 VanDerWaalsContact CE2-CB 3.42Å; F295-D320 HydrophobicContact CZ-CB 3.98Å; N298-D320 CarbonylContact C-O 3.54Å; Q299-D320 WeakPolarHBondContact CA-O 3.23Å; Q299-D320 HydrophobicContact CB-CB 4.08Å; Q299-D320 PolarHBondContact N-O 2.91Å; Q299-D320 VanDerWaalsContact N-O 3.11Å; M300-D320 PolarHBondContact N-OD1 2.92Å; C301-D320 PolarHBondContact N-OD1 3.27Å; C301-D320 PolarHBondContact N-OD2 2.97Å; F306-D320 HydrophobicContact CD2-CB 4.46Å; F306-D320 VanDerWaalsContact CD2-OD2 3.26Å; F306-D320 WeakPolarHBondContact CD2-OD2 3.25Å; F306-D320 HydrophobicContact CE2-CB 4.23Å; F306-D320 VanDerWaalsContact CE2-CG 3.5Å; F306-D320 WeakPolarHBondContact CE2-OD1 3.16Å; F306-D320 HydrophobicContact CZ-CB 4.39Å; T318-D320 VanDerWaalsContact C-N 3.3Å; T318-D320 PolarHBondContact O-N 3.47Å; D320-T322 VanDerWaalsContact C-N 3.32Å
321K94.3Very high93.7Very high43 Ų4344.7 Ų44.719%0.18726%0.259CS..G310 helixtrans-81.5-8.2171.1-63.3-170.4176.3-168.70113.4D140 L294 F295 N298 T318 G319D140-K321 IonicContact OD1-NZ 2.94Å; D140-K321 PolarHBondContact OD1-NZ 3Å; L294-K321 HydrophobicContact CB-CB 4.12Å; L294-K321 HydrophobicContact CB-CG 4.43Å; F295-K321 HydrophobicContact CB-CG 4.15Å; F295-K321 HydrophobicContact CD2-CG 3.99Å; N298-K321 PolarHBondContact ND2-O 3.27Å; T318-K321 VanDerWaalsContact O-CB 3.28Å; T318-K321 WeakPolarHBondContact O-CB 3.34Å; T318-K321 PolarHBondContact O-N 2.72Å; G319-K321 PolarHBondContact O-N 3.05Å
322T93.7Very high93.8Very high8 Ų839.2 Ų39.25%0.04922%0.222CC..SBendtrans-131155.5-171.8175.90000112F153 G319 D320 Q324F153-T322 WeakPolarHBondContact CZ-OG1 3.48Å; G319-T322 WeakPolarHBondContact O-CG2 3.35Å; G319-T322 PolarHBondContact O-N 3.07Å; D320-T322 VanDerWaalsContact C-N 3.32Å; T322-Q324 HydrophobicContact CG2-CB 4.32Å; T322-Q324 WeakPolarHBondContact CG2-O 3.26Å; T322-Q324 PolarHBondContact O-N 2.77Å; T322-Q324 PolarHBondContact OG1-N 3.42Å; T322-Q324 VanDerWaalsContact OG1-N 3.09Å
323V93Very high93.6Very high97 Ų9737 Ų3759%0.58821%0.213SC*.SBendtrans-75.5-10.1170-57.40000112.7F153F153-V323 HydrophobicContact CE1-CG1 4.2Å; F153-V323 HydrophobicContact CE1-CG2 4.47Å; F153-V323 HydrophobicContact CE2-CG2 4.36Å; F153-V323 HydrophobicContact CZ-CB 4.43Å; F153-V323 HydrophobicContact CZ-CG1 4.33Å; F153-V323 HydrophobicContact CZ-CG2 3.79Å
324Q92.7Very high93.5Very high45 Ų4532.7 Ų32.721%0.2119%0.19CC..  trans-86.9130.6177.6-63.3176.5-89.300110.8T322T322-Q324 HydrophobicContact CG2-CB 4.32Å; T322-Q324 WeakPolarHBondContact CG2-O 3.26Å; T322-Q324 PolarHBondContact O-N 2.77Å; T322-Q324 PolarHBondContact OG1-N 3.42Å; T322-Q324 VanDerWaalsContact OG1-N 3.09Å
325C91.5Very high93.5Very high72 Ų7233.8 Ų33.849%0.48619%0.191SC..SBendtrans-76.7-71.1168.7-175.30000110.4F109F109-C325 WeakPolarHBondContact CD1-O 3.36Å
326G91.6Very high93.7Very high44 Ų4432.1 Ų32.145%0.45418%0.175SC..SBendtrans-76.212917000000110.4N107N107-G326 WeakPolarHBondContact OD1-CA 3.09Å
327R94.6Very high93.6Very high8 Ų828.8 Ų28.83%0.0316%0.162CC..  trans-132.8126.8179.6-172167.265.398.4-3.7110.3N107 M108 E121 T318N107-R327 WeakPolarHBondContact CA-O 3.21Å; N107-R327 PolarHBondContact OD1-N 2.81Å; M108-R327 HydrophobicContact CB-CB 4.15Å; M108-R327 HydrophobicContact CB-CG 4.28Å; M108-R327 PolarHBondContact N-O 3.45Å; M108-R327 PolarHBondContact O-NH2 3.41Å; M108-R327 VanDerWaalsContact O-NH2 3.07Å; E121-R327 IonicContact OE1-CZ 3.3Å; E121-R327 IonicContact OE1-NH1 2.85Å; E121-R327 PolarHBondContact OE1-NH1 2.98Å; E121-R327 IonicContact OE1-NH2 3.75Å; E121-R327 PolarHBondContact OE1-NH2 3.12Å; E121-R327 IonicContact OE2-CZ 2.72Å; E121-R327 IonicContact OE2-NH1 3.01Å; E121-R327 PolarHBondContact OE2-NH1 3.39Å; E121-R327 IonicContact OE2-NH2 2.64Å; T318-R327 PolarHBondContact OG1-NH2 3.16Å
328H93.6Very high93.5Very high97 Ų9729.9 Ų29.945%0.44917%0.165SC..  trans-66.7151.8177.2-171.770.9000111.2D330H328-D330 IonicContact CD2-OD1 3.7Å; H328-D330 PolarHBondContact CD2-OD1 3.09Å; H328-D330 PolarHBondContact O-N 3.35Å
329N92.3Very high93.5Very high2 Ų237.6 Ų37.61%0.01119%0.192CC..  trans-86.589176.1170.39.3000110.9T101 M108 F117 I331 F332T101-N329 HydrophobicContact CG2-CB 3.87Å; T101-N329 VanDerWaalsContact CG2-O 3.31Å; T101-N329 WeakPolarHBondContact CG2-O 3.42Å; M108-N329 HydrophobicContact CG-CB 3.93Å; M108-N329 HydrophobicContact SD-CB 4.32Å; F117-N329 WeakPolarHBondContact CD1-ND2 3.24Å; F117-N329 WeakPolarHBondContact CD2-ND2 3.49Å; F117-N329 WeakPolarHBondContact CE1-ND2 3.12Å; F117-N329 WeakPolarHBondContact CE2-ND2 3.16Å; F117-N329 WeakPolarHBondContact CG-ND2 3.34Å; F117-N329 WeakPolarHBondContact CZ-ND2 3.35Å; N329-I331 VanDerWaalsContact C-N 3.29Å; N329-I331 WeakPolarHBondContact OD1-CG2 3.29Å; N329-I331 PolarHBondContact OD1-N 2.89Å; N329-I331 VanDerWaalsContact OD1-N 3.09Å; N329-F332 PolarHBondContact OD1-N 3.46Å; N329-F332 VanDerWaalsContact OD1-N 3.12Å
330D93Very high93.7Very high12 Ų1240.2 Ų40.26%0.06421%0.214CC..  trans-84.4-4.6172.7-72.3-41.9000113.4L143 Q282 C283 H328 K333L143-D330 HydrophobicContact CD2-CB 3.66Å; Q282-D330 VanDerWaalsContact O-CG 3.22Å; C283-D330 HydrophobicContact CB-CB 4.23Å; C283-D330 PolarHBondContact SG-O 3.03Å; H328-D330 IonicContact CD2-OD1 3.7Å; H328-D330 PolarHBondContact CD2-OD1 3.09Å; H328-D330 PolarHBondContact O-N 3.35Å; D330-K333 WeakPolarHBondContact O-CG 3.17Å; D330-K333 IonicContact OD1-NZ 3.43Å; D330-K333 PolarHBondContact OD1-NZ 3.14Å
331I94.8Very high93.7Very high0 Ų042.5 Ų42.50%022%0.223CC..Hα-helixtrans-83.6-37.4-170.2-17465000113.1M108 F117 M120 E121 I124 L143 N329 K333 L334 W335M108-I331 HydrophobicContact CE-CG2 4.06Å; M108-I331 HydrophobicContact SD-CG2 4.33Å; F117-I331 HydrophobicContact CB-CG2 4.01Å; M120-I331 HydrophobicContact CB-CG1 3.99Å; E121-I331 HydrophobicContact CB-CB 4.25Å; E121-I331 HydrophobicContact CB-CD1 4.38Å; E121-I331 HydrophobicContact CB-CG1 3.95Å; E121-I331 HydrophobicContact CB-CG2 4.27Å; I124-I331 HydrophobicContact CB-CD1 3.68Å; I124-I331 HydrophobicContact CG1-CD1 3.72Å; I124-I331 HydrophobicContact CG2-CD1 3.87Å; L143-I331 HydrophobicContact CD1-CD1 4.28Å; L143-I331 HydrophobicContact CD2-CB 4.1Å; L143-I331 HydrophobicContact CD2-CD1 4.26Å; N329-I331 VanDerWaalsContact C-N 3.29Å; N329-I331 WeakPolarHBondContact OD1-CG2 3.29Å; N329-I331 PolarHBondContact OD1-N 2.89Å; N329-I331 VanDerWaalsContact OD1-N 3.09Å; I331-K333 PolarHBondContact O-N 3.26Å; I331-L334 HydrophobicContact CD1-CD2 4.01Å; I331-L334 HydrophobicContact CD1-CG 4.26Å; I331-L334 WeakPolarHBondContact O-CB 3.44Å; I331-L334 PolarHBondContact O-N 2.78Å; I331-L334 VanDerWaalsContact O-N 3.12Å; I331-W335 WeakPolarHBondContact O-CB 3.1Å; I331-W335 PolarHBondContact O-N 3.39Å
332F95.7Very high93.6Very high21 Ų2141.8 Ų41.89%0.09223%0.228CC..Hα-helixtrans-61.7-44.1-172.1-175.8-102.3000112.6G97 L100 F117 M120 N329 L334 W335 L336G97-F332 WeakPolarHBondContact O-CD1 2.92Å; L100-F332 HydrophobicContact CB-CD1 4.11Å; L100-F332 HydrophobicContact CB-CE1 3.66Å; L100-F332 HydrophobicContact CB-CZ 4.48Å; L100-F332 HydrophobicContact CD1-CE1 3.66Å; L100-F332 HydrophobicContact CD1-CZ 3.63Å; L100-F332 HydrophobicContact CD2-CD1 3.82Å; L100-F332 HydrophobicContact CD2-CD2 4.44Å; L100-F332 HydrophobicContact CD2-CE1 3.57Å; L100-F332 HydrophobicContact CD2-CE2 4.22Å; L100-F332 HydrophobicContact CD2-CG 4.26Å; L100-F332 HydrophobicContact CD2-CZ 3.79Å; L100-F332 HydrophobicContact CG-CD1 4.39Å; L100-F332 HydrophobicContact CG-CE1 3.8Å; L100-F332 HydrophobicContact CG-CZ 4.16Å; F117-F332 HydrophobicContact CD1-CB 4.04Å; F117-F332 HydrophobicContact CD1-CD2 4.18Å; F117-F332 HydrophobicContact CD1-CG 4.47Å; F117-F332 HydrophobicContact CE1-CB 3.79Å; F117-F332 AromaticContact CE1-CD2 3.67Å; F117-F332 HydrophobicContact CE1-CD2 3.67Å; F117-F332 AromaticContact CE1-CG 3.87Å; F117-F332 HydrophobicContact CE1-CG 3.87Å; M120-F332 HydrophobicContact CE-CD2 4Å; M120-F332 HydrophobicContact CE-CE2 4Å; M120-F332 HydrophobicContact SD-CD2 3.68Å; M120-F332 HydrophobicContact SD-CE2 4.28Å; N329-F332 PolarHBondContact OD1-N 3.46Å; N329-F332 VanDerWaalsContact OD1-N 3.12Å; F332-L334 VanDerWaalsContact C-N 3.31Å; F332-L334 PolarHBondContact O-N 3.4Å; F332-W335 HydrophobicContact CE2-CE3 4.43Å; F332-W335 PolarHBondContact O-N 2.94Å; F332-L336 HydrophobicContact CE1-CB 4.49Å; F332-L336 HydrophobicContact CE1-CD2 3.91Å; F332-L336 HydrophobicContact CZ-CD1 4.47Å; F332-L336 HydrophobicContact CZ-CD2 4.22Å; F332-L336 WeakPolarHBondContact O-CB 3.44Å; F332-L336 PolarHBondContact O-N 3.28Å
333K93.5Very high93.5Very high6 Ų645.8 Ų45.83%0.02625%0.247CC..Hα-helixtrans-62-36.917665.5-167.6178.3-157.70113.3S94 E98 N280 Q282 D330 I331 A337S94-K333 WeakPolarHBondContact O-CB 3.13Å; E98-K333 VanDerWaalsContact CD-NZ 3.32Å; E98-K333 HydrophobicContact CG-CB 4.44Å; E98-K333 HydrophobicContact CG-CD 3.76Å; E98-K333 WeakPolarHBondContact OE1-CD 3.31Å; E98-K333 WeakPolarHBondContact OE1-CE 3.27Å; E98-K333 IonicContact OE1-NZ 3.62Å; E98-K333 PolarHBondContact OE1-NZ 3.34Å; E98-K333 IonicContact OE2-NZ 3.77Å; E98-K333 PolarHBondContact OE2-NZ 2.93Å; N280-K333 HydrophobicContact CB-CD 4.42Å; Q282-K333 WeakPolarHBondContact O-CE 3.49Å; Q282-K333 PolarHBondContact O-NZ 3.44Å; D330-K333 WeakPolarHBondContact O-CG 3.17Å; D330-K333 IonicContact OD1-NZ 3.43Å; D330-K333 PolarHBondContact OD1-NZ 3.14Å; I331-K333 PolarHBondContact O-N 3.26Å; K333-A337 VanDerWaalsContact O-CB 3.27Å; K333-A337 WeakPolarHBondContact O-CB 3.46Å; K333-A337 PolarHBondContact O-N 2.77Å; K333-A337 VanDerWaalsContact O-N 3.16Å
334L92.4Very high93.6Very high1 Ų146.8 Ų46.81%0.00525%0.249CC..Hα-helixtrans-69.5-52.3177.3163.256.2000110I124 P276 P277 C283 I331 F332 L336 A337 W338I124-L334 HydrophobicContact CG2-CD2 3.7Å; I124-L334 HydrophobicContact CG2-CG 4.04Å; P276-L334 HydrophobicContact CB-CD1 3.33Å; P276-L334 HydrophobicContact CG-CD1 3.21Å; P277-L334 HydrophobicContact CG-CD1 4.1Å; P277-L334 HydrophobicContact CG-CD2 4.3Å; C283-L334 VanDerWaalsContact SG-CD2 3.57Å; I331-L334 HydrophobicContact CD1-CD2 4.01Å; I331-L334 HydrophobicContact CD1-CG 4.26Å; I331-L334 WeakPolarHBondContact O-CB 3.44Å; I331-L334 PolarHBondContact O-N 2.78Å; I331-L334 VanDerWaalsContact O-N 3.12Å; F332-L334 VanDerWaalsContact C-N 3.31Å; F332-L334 PolarHBondContact O-N 3.4Å; L334-L336 PolarHBondContact O-N 2.88Å; L334-A337 PolarHBondContact O-N 3.43Å; L334-W338 HydrophobicContact CD1-CE3 3.85Å; L334-W338 HydrophobicContact CD1-CZ3 4.2Å; L334-W338 PolarHBondContact O-N 3.08Å
335W95.1Very high93.6Very high56 Ų5645.8 Ų45.821%0.21225%0.25CC..Hα-helixtrans-58.4-46.8178179.993.7000111.7M120 I124 I331 F332 A337 W338 R339M120-W335 HydrophobicContact CB-CB 4.46Å; M120-W335 HydrophobicContact CB-CG 4.21Å; M120-W335 HydrophobicContact CE-CD2 3.95Å; M120-W335 HydrophobicContact CE-CE3 3.81Å; M120-W335 HydrophobicContact CE-CH2 4.05Å; M120-W335 HydrophobicContact CE-CZ2 4.17Å; M120-W335 HydrophobicContact CE-CZ3 3.87Å; M120-W335 HydrophobicContact CG-CD2 4.16Å; M120-W335 HydrophobicContact CG-CG 3.99Å; M120-W335 HydrophobicContact SD-CB 4.47Å; M120-W335 HydrophobicContact SD-CD2 4.01Å; M120-W335 HydrophobicContact SD-CE3 4.17Å; M120-W335 HydrophobicContact SD-CG 4.14Å; I124-W335 HydrophobicContact CD1-CB 4.33Å; I124-W335 HydrophobicContact CG1-CB 4.15Å; I124-W335 HydrophobicContact CG1-CG 4.47Å; I331-W335 WeakPolarHBondContact O-CB 3.1Å; I331-W335 PolarHBondContact O-N 3.39Å; F332-W335 HydrophobicContact CE2-CE3 4.43Å; F332-W335 PolarHBondContact O-N 2.94Å; W335-A337 PolarHBondContact O-N 3.29Å; W335-W338 WeakPolarHBondContact O-CB 3.24Å; W335-W338 PolarHBondContact O-N 2.85Å; W335-W338 VanDerWaalsContact O-N 3.17Å; W335-R339 HydrophobicContact CD2-CG 3.81Å; W335-R339 HydrophobicContact CE3-CG 3.91Å; W335-R339 HydrophobicContact CH2-CG 3.68Å; W335-R339 HydrophobicContact CZ2-CG 3.57Å; W335-R339 HydrophobicContact CZ3-CG 3.85Å; W335-R339 WeakPolarHBondContact O-CG 3Å; W335-R339 PolarHBondContact O-N 3.48Å
336L95.6Very high93.5Very high47 Ų4743 Ų4325%0.24623%0.229CC..Hα-helixtrans-65.1-42.2-178.2-171.666.3000111.7I93 F332 L334 W338 R339 A340I93-L336 HydrophobicContact CG2-CB 4.38Å; I93-L336 HydrophobicContact CG2-CD2 3.99Å; I93-L336 HydrophobicContact CG2-CG 3.68Å; F332-L336 HydrophobicContact CE1-CB 4.49Å; F332-L336 HydrophobicContact CE1-CD2 3.91Å; F332-L336 HydrophobicContact CZ-CD1 4.47Å; F332-L336 HydrophobicContact CZ-CD2 4.22Å; F332-L336 WeakPolarHBondContact O-CB 3.44Å; F332-L336 PolarHBondContact O-N 3.28Å; L334-L336 PolarHBondContact O-N 2.88Å; L336-W338 VanDerWaalsContact C-N 3.3Å; L336-W338 PolarHBondContact O-N 3.45Å; L336-R339 PolarHBondContact O-N 3.46Å; L336-A340 WeakPolarHBondContact O-CB 3.3Å; L336-A340 PolarHBondContact O-N 3.32Å
337A92.9Very high93.5Very high0 Ų045.8 Ų45.80%023%0.23CC..Hα-helixtrans-64.1-36.9175.100000111.8S94 P276 K333 L334 W335 A340 K341 Y346S94-A337 VanDerWaalsContact OG-CB 3.31Å; S94-A337 WeakPolarHBondContact OG-CB 3.39Å; P276-A337 HydrophobicContact CB-CB 4.21Å; K333-A337 VanDerWaalsContact O-CB 3.27Å; K333-A337 WeakPolarHBondContact O-CB 3.46Å; K333-A337 PolarHBondContact O-N 2.77Å; K333-A337 VanDerWaalsContact O-N 3.16Å; L334-A337 PolarHBondContact O-N 3.43Å; W335-A337 PolarHBondContact O-N 3.29Å; A337-A340 PolarHBondContact O-N 3.03Å; A337-K341 PolarHBondContact O-N 3.41Å; A337-K341 VanDerWaalsContact O-N 3.08Å; A337-Y346 VanDerWaalsContact C-OH 3.29Å; A337-Y346 VanDerWaalsContact CB-OH 3.26Å; A337-Y346 WeakPolarHBondContact CB-OH 3.42Å; A337-Y346 PolarHBondContact O-OH 3.23Å
338W92.9Very high93.5Very high32 Ų3252 Ų5212%0.12126%0.258CS..Hα-helixtrans-66.6-40.6173.9-142.2-41.8000113.1I124 L127 M128 I131 P276 L334 W335 L336 A340 G342 M343 Y346I124-W338 HydrophobicContact CD1-CB 4.43Å; I124-W338 HydrophobicContact CD1-CD2 4.27Å; I124-W338 HydrophobicContact CD1-CE3 3.74Å; I124-W338 HydrophobicContact CD1-CZ3 4.37Å; I124-W338 HydrophobicContact CG2-CE3 4.43Å; I124-W338 HydrophobicContact CG2-CZ3 4.18Å; L127-W338 HydrophobicContact CD2-CD2 3.82Å; L127-W338 HydrophobicContact CD2-CE3 4.24Å; L127-W338 HydrophobicContact CD2-CG 4.4Å; L127-W338 HydrophobicContact CD2-CH2 3.9Å; L127-W338 HydrophobicContact CD2-CZ2 3.46Å; L127-W338 VanDerWaalsContact CD2-CZ2 3.46Å; L127-W338 HydrophobicContact CD2-CZ3 4.27Å; L127-W338 HydrophobicContact CG-CH2 4.12Å; L127-W338 HydrophobicContact CG-CZ2 3.88Å; M128-W338 HydrophobicContact CG-CH2 3.89Å; M128-W338 HydrophobicContact CG-CZ3 3.95Å; M128-W338 HydrophobicContact SD-CZ3 4.49Å; I131-W338 HydrophobicContact CD1-CH2 3.78Å; I131-W338 HydrophobicContact CD1-CZ2 3.56Å; P276-W338 HydrophobicContact CG-CD2 4.44Å; P276-W338 HydrophobicContact CG-CE3 4.01Å; P276-W338 HydrophobicContact CG-CZ3 4.49Å; L334-W338 HydrophobicContact CD1-CE3 3.85Å; L334-W338 HydrophobicContact CD1-CZ3 4.2Å; L334-W338 PolarHBondContact O-N 3.08Å; W335-W338 WeakPolarHBondContact O-CB 3.24Å; W335-W338 PolarHBondContact O-N 2.85Å; W335-W338 VanDerWaalsContact O-N 3.17Å; L336-W338 VanDerWaalsContact C-N 3.3Å; L336-W338 PolarHBondContact O-N 3.45Å; W338-A340 VanDerWaalsContact C-N 3.31Å; W338-A340 PolarHBondContact O-N 3.17Å; W338-G342 VanDerWaalsContact O-CA 3.26Å; W338-G342 WeakPolarHBondContact O-CA 3.2Å; W338-G342 PolarHBondContact O-N 2.93Å; W338-M343 VanDerWaalsContact CE2-SD 3.59Å; W338-M343 HydrophobicContact CZ2-CE 4.4Å; W338-M343 HydrophobicContact CZ2-SD 3.47Å; W338-M343 WeakPolarHBondContact CZ2-SD 3.37Å; W338-M343 PolarHBondContact NE1-SD 3.31Å; W338-Y346 HydrophobicContact CB-CE2 4.31Å; W338-Y346 HydrophobicContact CD2-CE2 4.34Å; W338-Y346 AromaticContact CG-CE2 3.98Å; W338-Y346 HydrophobicContact CG-CE2 3.98Å
339R95.5Very high93.5Very high180 Ų18048.4 Ų48.468%0.67924%0.241SC*.Hα-helixtrans-62.7-38.3173.2-71.2-71.9-61.8-150.9-2.5112.4W335 L336W335-R339 HydrophobicContact CD2-CG 3.81Å; W335-R339 HydrophobicContact CE3-CG 3.91Å; W335-R339 HydrophobicContact CH2-CG 3.68Å; W335-R339 HydrophobicContact CZ2-CG 3.57Å; W335-R339 HydrophobicContact CZ3-CG 3.85Å; W335-R339 WeakPolarHBondContact O-CG 3Å; W335-R339 PolarHBondContact O-N 3.48Å; L336-R339 PolarHBondContact O-N 3.46Å
340A95.4Very high93.4Very high62 Ų6250.1 Ų50.151%0.51225%0.251SS..Hα-helixtrans-73.8-36.8-178.100000113.6I93 L336 A337 W338I93-A340 HydrophobicContact CB-CB 4.4Å; I93-A340 HydrophobicContact CG1-CB 4.04Å; I93-A340 HydrophobicContact CG2-CB 3.82Å; L336-A340 WeakPolarHBondContact O-CB 3.3Å; L336-A340 PolarHBondContact O-N 3.32Å; A337-A340 PolarHBondContact O-N 3.03Å; W338-A340 VanDerWaalsContact C-N 3.31Å; W338-A340 PolarHBondContact O-N 3.17Å
341K93Very high93.5Very high60 Ų6054.9 Ų54.926%0.26127%0.273SS..Hα-helixtrans-98.1-30.2-176.8-65.3175.8-163.5-99.30113.4D91 A337 G345 Y346 Q349D91-K341 WeakPolarHBondContact OD2-CE 3.29Å; D91-K341 IonicContact OD2-NZ 2.78Å; D91-K341 PolarHBondContact OD2-NZ 3.34Å; A337-K341 PolarHBondContact O-N 3.41Å; A337-K341 VanDerWaalsContact O-N 3.08Å; K341-G345 VanDerWaalsContact O-CA 3.23Å; K341-G345 WeakPolarHBondContact O-CA 3.4Å; K341-G345 PolarHBondContact O-N 3.1Å; K341-G345 VanDerWaalsContact O-N 3.1Å; K341-Y346 HydrophobicContact CB-CD2 4.38Å; K341-Y346 HydrophobicContact CB-CE2 4.18Å; K341-Y346 HydrophobicContact CD-CD1 4.12Å; K341-Y346 HydrophobicContact CD-CE1 3.53Å; K341-Y346 HydrophobicContact CD-CE2 4.31Å; K341-Q349 VanDerWaalsContact NZ-OE1 3.07Å
342G93.5Very high93.5Very high28 Ų2860.2 Ų60.229%0.28929%0.293SS..Hα-helixtrans62.1-178.3-166.200000112.8W338 G345 Y346W338-G342 VanDerWaalsContact O-CA 3.26Å; W338-G342 WeakPolarHBondContact O-CA 3.2Å; W338-G342 PolarHBondContact O-N 2.93Å; G342-G345 PolarHBondContact O-N 3.18Å; G342-Y346 WeakPolarHBondContact O-CD2 3.46Å; G342-Y346 PolarHBondContact O-N 3.33Å
343M90.4Very high93.4Very high91 Ų9159.2 Ų59.245%0.44829%0.289SS..Hα-helixtrans-62.7-46.9175.7-69.6-56.6-64.100112I131 W338 G345 Y346 E347I131-M343 HydrophobicContact CD1-CE 3.56Å; I131-M343 HydrophobicContact CD1-SD 3.97Å; I131-M343 HydrophobicContact CG1-CE 3.95Å; W338-M343 VanDerWaalsContact CE2-SD 3.59Å; W338-M343 HydrophobicContact CZ2-CE 4.4Å; W338-M343 HydrophobicContact CZ2-SD 3.47Å; W338-M343 WeakPolarHBondContact CZ2-SD 3.37Å; W338-M343 PolarHBondContact NE1-SD 3.31Å; M343-G345 VanDerWaalsContact C-N 3.27Å; M343-G345 PolarHBondContact O-N 3.08Å; M343-Y346 PolarHBondContact O-N 2.97Å; M343-Y346 VanDerWaalsContact O-N 3.13Å; M343-E347 PolarHBondContact O-N 2.75Å
344L94.6Very high93.5Very high119 Ų11962.9 Ų62.962%0.62331%0.307SS*.Hα-helixtrans-61-34.3-179.9-63175.5000112.6E347 K348L344-E347 WeakPolarHBondContact CD2-OE2 3.47Å; L344-K348 WeakPolarHBondContact O-CB 3.39Å; L344-K348 VanDerWaalsContact O-CG 3.29Å; L344-K348 WeakPolarHBondContact O-CG 3.33Å; L344-K348 PolarHBondContact O-N 2.73Å
345G93.5Very high93.7Very high23 Ų2364.9 Ų64.924%0.23733%0.328CS..Hα-helixtrans-69.1-37.8176.900000112.5K341 G342 M343 Q349K341-G345 VanDerWaalsContact O-CA 3.23Å; K341-G345 WeakPolarHBondContact O-CA 3.4Å; K341-G345 PolarHBondContact O-N 3.1Å; K341-G345 VanDerWaalsContact O-N 3.1Å; G342-G345 PolarHBondContact O-N 3.18Å; M343-G345 VanDerWaalsContact C-N 3.27Å; M343-G345 PolarHBondContact O-N 3.08Å; G345-Q349 VanDerWaalsContact O-CB 3.27Å; G345-Q349 WeakPolarHBondContact O-CB 3.42Å; G345-Q349 PolarHBondContact O-N 2.93Å
346Y90.2Very high93.8Very high15 Ų1562.8 Ų62.86%0.05932%0.321CS..Hα-helixtrans-70.6-40.8173.4-78.3-60.4000112.7P276 A337 W338 K341 G342 M343 Q349 V350P276-Y346 HydrophobicContact CB-CE1 4.29Å; P276-Y346 HydrophobicContact CB-CE2 4.48Å; P276-Y346 WeakPolarHBondContact CB-OH 3.33Å; P276-Y346 VanDerWaalsContact CD-CE1 3.43Å; P276-Y346 HydrophobicContact CG-CE1 3.98Å; P276-Y346 HydrophobicContact CG-CE2 3.63Å; P276-Y346 VanDerWaalsContact CG-OH 3.24Å; P276-Y346 WeakPolarHBondContact CG-OH 3.33Å; A337-Y346 VanDerWaalsContact C-OH 3.29Å; A337-Y346 VanDerWaalsContact CB-OH 3.26Å; A337-Y346 WeakPolarHBondContact CB-OH 3.42Å; A337-Y346 PolarHBondContact O-OH 3.23Å; W338-Y346 HydrophobicContact CB-CE2 4.31Å; W338-Y346 HydrophobicContact CD2-CE2 4.34Å; W338-Y346 AromaticContact CG-CE2 3.98Å; W338-Y346 HydrophobicContact CG-CE2 3.98Å; K341-Y346 HydrophobicContact CB-CD2 4.38Å; K341-Y346 HydrophobicContact CB-CE2 4.18Å; K341-Y346 HydrophobicContact CD-CD1 4.12Å; K341-Y346 HydrophobicContact CD-CE1 3.53Å; K341-Y346 HydrophobicContact CD-CE2 4.31Å; G342-Y346 WeakPolarHBondContact O-CD2 3.46Å; G342-Y346 PolarHBondContact O-N 3.33Å; M343-Y346 PolarHBondContact O-N 2.97Å; M343-Y346 VanDerWaalsContact O-N 3.13Å; Y346-Q349 WeakPolarHBondContact O-CB 3.49Å; Y346-Q349 PolarHBondContact O-N 3.45Å; Y346-V350 WeakPolarHBondContact O-CG2 3.15Å; Y346-V350 PolarHBondContact O-N 2.64Å
347E91.6Very high93.8Very high101 Ų10160.8 Ų60.847%0.47231%0.311SS..Hα-helixtrans-54.9-58174.7-179.9177-150.800110.9M343 L344 Q349 V350 E351M343-E347 PolarHBondContact O-N 2.75Å; L344-E347 WeakPolarHBondContact CD2-OE2 3.47Å; E347-Q349 PolarHBondContact O-N 2.9Å; E347-Q349 VanDerWaalsContact O-N 3.12Å; E347-V350 WeakPolarHBondContact O-CB 3.33Å; E347-V350 PolarHBondContact O-N 2.94Å; E347-E351 WeakPolarHBondContact O-CG 3.33Å; E347-E351 PolarHBondContact O-N 3.11Å
348K94.8Very high94.1Very high140 Ų14063.7 Ų63.761%0.60934%0.335SS*.Hα-helixtrans-54.7-37.2177.5-73.1176.6-178.1-177.40113.2L344 R352L344-K348 WeakPolarHBondContact O-CB 3.39Å; L344-K348 VanDerWaalsContact O-CG 3.29Å; L344-K348 WeakPolarHBondContact O-CG 3.33Å; L344-K348 PolarHBondContact O-N 2.73Å; K348-R352 WeakPolarHBondContact O-CB 3.27Å; K348-R352 PolarHBondContact O-N 3.02Å
349Q93Very high94.3Very high20 Ų2065.5 Ų65.59%0.09334%0.342CS..Hα-helixtrans-71-40.9179.8-172.7-171.1-101.900111.8V274 R279 K341 G345 Y346 E347 L353 P441V274-Q349 PolarHBondContact O-NE2 3.1Å; V274-Q349 VanDerWaalsContact O-NE2 3.09Å; R279-Q349 VanDerWaalsContact CZ-NE2 3.34Å; R279-Q349 VanDerWaalsContact NH1-CD 3.26Å; K341-Q349 VanDerWaalsContact NZ-OE1 3.07Å; G345-Q349 VanDerWaalsContact O-CB 3.27Å; G345-Q349 WeakPolarHBondContact O-CB 3.42Å; G345-Q349 PolarHBondContact O-N 2.93Å; Y346-Q349 WeakPolarHBondContact O-CB 3.49Å; Y346-Q349 PolarHBondContact O-N 3.45Å; E347-Q349 PolarHBondContact O-N 2.9Å; E347-Q349 VanDerWaalsContact O-N 3.12Å; Q349-L353 HydrophobicContact CG-CD1 4.33Å; Q349-L353 VanDerWaalsContact O-CG 3.29Å; Q349-L353 WeakPolarHBondContact O-CG 3.43Å; Q349-L353 PolarHBondContact O-N 3.18Å; Q349-L353 VanDerWaalsContact O-N 3.08Å; Q349-P441 HydrophobicContact CG-CB 4.42Å; Q349-P441 HydrophobicContact CG-CG 4.12Å
350V90.1Very high94.4Very high38 Ų3857 Ų5723%0.2331%0.31CS..Hα-helixtrans-62.1-50.3173.3175.20000110V274 Y346 E347 R352 L353 M354V274-V350 HydrophobicContact CB-CB 4.47Å; V274-V350 HydrophobicContact CB-CG2 3.53Å; V274-V350 HydrophobicContact CG1-CB 4.14Å; V274-V350 HydrophobicContact CG1-CG1 4.49Å; V274-V350 HydrophobicContact CG1-CG2 3.67Å; V274-V350 HydrophobicContact CG2-CG2 4.07Å; Y346-V350 WeakPolarHBondContact O-CG2 3.15Å; Y346-V350 PolarHBondContact O-N 2.64Å; E347-V350 WeakPolarHBondContact O-CB 3.33Å; E347-V350 PolarHBondContact O-N 2.94Å; V350-R352 VanDerWaalsContact C-N 3.31Å; V350-R352 PolarHBondContact O-N 2.97Å; V350-L353 PolarHBondContact O-N 3.4Å; V350-L353 VanDerWaalsContact O-N 3.11Å; V350-M354 HydrophobicContact CG1-CG 4.35Å; V350-M354 HydrophobicContact CG1-SD 4.1Å; V350-M354 WeakPolarHBondContact O-CG 3.28Å; V350-M354 PolarHBondContact O-N 3.38Å
351E94.1Very high94.5Very high112 Ų11254.4 Ų54.452%0.52329%0.288SS..Hα-helixtrans-56-46.1179-70.6177.6153.700111.6E347 L353 M354 G355E347-E351 WeakPolarHBondContact O-CG 3.33Å; E347-E351 PolarHBondContact O-N 3.11Å; E351-L353 PolarHBondContact O-N 3.05Å; E351-M354 PolarHBondContact O-N 3.27Å; E351-G355 PolarHBondContact O-N 3.04Å
352R95.5Very high94.8Very high112 Ų11254 Ų5442%0.42330%0.296SS..Hα-helixtrans-60.6-45.2176.2177.9175.7162.4-130.8-8.9112K348 V350 M354 G355 L356 P441 T443K348-R352 WeakPolarHBondContact O-CB 3.27Å; K348-R352 PolarHBondContact O-N 3.02Å; V350-R352 VanDerWaalsContact C-N 3.31Å; V350-R352 PolarHBondContact O-N 2.97Å; R352-M354 VanDerWaalsContact C-N 3.35Å; R352-G355 PolarHBondContact O-N 3.23Å; R352-L356 HydrophobicContact CG-CD1 4.35Å; R352-L356 WeakPolarHBondContact O-CG 3.45Å; R352-L356 PolarHBondContact O-N 3.36Å; R352-P441 PolarHBondContact NH1-O 3.38Å; R352-P441 PolarHBondContact NH2-O 2.97Å; R352-T443 PolarHBondContact NH2-O 3.44Å
353L94.7Very high95Very high1 Ų154.3 Ų54.31%0.00529%0.29CS..Hα-helixtrans-66.8-37.6-179.5-71.2168.1000111.7V274 Q349 V350 E351 L356 A357 L380 I438 N440V274-L353 HydrophobicContact CG1-CB 4.36Å; V274-L353 HydrophobicContact CG1-CD1 3.29Å; V274-L353 HydrophobicContact CG1-CG 4.41Å; Q349-L353 HydrophobicContact CG-CD1 4.33Å; Q349-L353 VanDerWaalsContact O-CG 3.29Å; Q349-L353 WeakPolarHBondContact O-CG 3.43Å; Q349-L353 PolarHBondContact O-N 3.18Å; Q349-L353 VanDerWaalsContact O-N 3.08Å; V350-L353 PolarHBondContact O-N 3.4Å; V350-L353 VanDerWaalsContact O-N 3.11Å; E351-L353 PolarHBondContact O-N 3.05Å; L353-L356 HydrophobicContact CD2-CD1 4.34Å; L353-L356 PolarHBondContact O-N 2.7Å; L353-A357 PolarHBondContact O-N 2.94Å; L353-L380 VanDerWaalsContact C-CD2 3.43Å; L353-L380 HydrophobicContact CB-CD1 4.46Å; L353-L380 HydrophobicContact CB-CD2 3.79Å; L353-L380 WeakPolarHBondContact O-CD2 3.31Å; L353-I438 HydrophobicContact CB-CG2 4.45Å; L353-I438 HydrophobicContact CD2-CG2 3.7Å; L353-N440 WeakPolarHBondContact CD2-O 3.32Å
354M94.3Very high95.3Very high82 Ų8250 Ų5040%0.40427%0.269SS..Hα-helixtrans-64.5-40.1171-69.5-173.571.700111.8V350 E351 R352 L356 A357 A358 F379 L380V350-M354 HydrophobicContact CG1-CG 4.35Å; V350-M354 HydrophobicContact CG1-SD 4.1Å; V350-M354 WeakPolarHBondContact O-CG 3.28Å; V350-M354 PolarHBondContact O-N 3.38Å; E351-M354 PolarHBondContact O-N 3.27Å; R352-M354 VanDerWaalsContact C-N 3.35Å; M354-L356 VanDerWaalsContact C-N 3.34Å; M354-L356 PolarHBondContact O-N 3.34Å; M354-A357 PolarHBondContact O-N 3.34Å; M354-A358 PolarHBondContact O-N 3.24Å; M354-F379 HydrophobicContact SD-CE2 4.41Å; M354-L380 HydrophobicContact CB-CD2 4.46Å; M354-L380 HydrophobicContact CG-CD2 3.84Å
355G97Very high95.4Very high43 Ų4349 Ų4944%0.44326%0.259SS..Hα-helixtrans-59.7-42.1173.100000112.8E351 R352 A358 Y359E351-G355 PolarHBondContact O-N 3.04Å; R352-G355 PolarHBondContact O-N 3.23Å; G355-A358 PolarHBondContact O-N 2.92Å; G355-Y359 WeakPolarHBondContact O-CB 3.25Å; G355-Y359 PolarHBondContact O-N 3.36Å
356L97.6Very high95.6Very high13 Ų1355.3 Ų55.37%0.06828%0.276CS..Hα-helixtrans-66.7-39.8174.6-71.7173.4000112.4R352 L353 M354 Y359 V360 I438 T443 T445 L448R352-L356 HydrophobicContact CG-CD1 4.35Å; R352-L356 WeakPolarHBondContact O-CG 3.45Å; R352-L356 PolarHBondContact O-N 3.36Å; L353-L356 HydrophobicContact CD2-CD1 4.34Å; L353-L356 PolarHBondContact O-N 2.7Å; M354-L356 VanDerWaalsContact C-N 3.34Å; M354-L356 PolarHBondContact O-N 3.34Å; L356-Y359 WeakPolarHBondContact O-CB 3.34Å; L356-Y359 PolarHBondContact O-N 2.95Å; L356-V360 PolarHBondContact O-N 3.18Å; L356-I438 HydrophobicContact CB-CG2 3.77Å; L356-I438 HydrophobicContact CD1-CG2 4.3Å; L356-T443 WeakPolarHBondContact CD1-O 3.35Å; L356-T445 HydrophobicContact CD2-CG2 3.89Å; L356-L448 HydrophobicContact CB-CD1 3.94Å; L356-L448 HydrophobicContact CD2-CD1 3.85Å; L356-L448 HydrophobicContact CG-CD1 4.41Å
357A96.4Very high95.9Very high4 Ų456 Ų563%0.03328%0.282CS..Hα-helixtrans-62.8-41.5174.400000111.8L353 M354 V360 T361 L380 V382 I438L353-A357 PolarHBondContact O-N 2.94Å; M354-A357 PolarHBondContact O-N 3.34Å; A357-V360 WeakPolarHBondContact O-CG1 3.07Å; A357-T361 VanDerWaalsContact O-CB 3.31Å; A357-T361 WeakPolarHBondContact O-CB 3.46Å; A357-T361 PolarHBondContact O-N 3.15Å; A357-T361 PolarHBondContact O-OG1 3.16Å; A357-L380 HydrophobicContact CB-CD2 4.35Å; A357-V382 HydrophobicContact CB-CG2 4.47Å; A357-I438 HydrophobicContact CB-CB 4.49Å; A357-I438 HydrophobicContact CB-CG1 4.23Å
358A97.1Very high96Very high61 Ų6156 Ų5650%0.50429%0.291SS..Hα-helixtrans-64.1-42.9173.600000111.9M354 G355 T361 A362M354-A358 PolarHBondContact O-N 3.24Å; G355-A358 PolarHBondContact O-N 2.92Å; A358-T361 PolarHBondContact O-N 3.2Å; A358-A362 PolarHBondContact O-N 3.35Å
359Y98.3Very high96.1Very high70 Ų7050 Ų5028%0.27527%0.268SS..Hα-helixtrans-57.3-54.4176.4174.9-97.8000112G355 L356 T361 A362 K363 T445 L448 D449G355-Y359 WeakPolarHBondContact O-CB 3.25Å; G355-Y359 PolarHBondContact O-N 3.36Å; L356-Y359 WeakPolarHBondContact O-CB 3.34Å; L356-Y359 PolarHBondContact O-N 2.95Å; Y359-T361 VanDerWaalsContact C-N 3.31Å; Y359-T361 PolarHBondContact O-N 3Å; Y359-A362 PolarHBondContact O-N 3.49Å; Y359-K363 PolarHBondContact O-N 2.92Å; Y359-T445 HydrophobicContact CD1-CG2 3.83Å; Y359-T445 HydrophobicContact CD2-CG2 4.18Å; Y359-T445 HydrophobicContact CE1-CG2 3.86Å; Y359-T445 HydrophobicContact CE2-CG2 4.21Å; Y359-T445 HydrophobicContact CG-CG2 3.99Å; Y359-L448 HydrophobicContact CD1-CB 4.42Å; Y359-L448 HydrophobicContact CD1-CD1 4.14Å; Y359-L448 HydrophobicContact CE1-CB 4.4Å; Y359-D449 VanDerWaalsContact OH-CG 3.27Å; Y359-D449 PolarHBondContact OH-OD1 3.15Å; Y359-D449 VanDerWaalsContact OH-OD1 3.11Å; Y359-D449 PolarHBondContact OH-OD2 3.38Å
360V97.8Very high96.3Very high1 Ų150 Ų501%0.00627%0.268CS..Hα-helixtrans-67.9-33.4-177.872.50000111.6L356 A357 A362 K363 I364 V382 L436 L448 V452L356-V360 PolarHBondContact O-N 3.18Å; A357-V360 WeakPolarHBondContact O-CG1 3.07Å; V360-A362 PolarHBondContact O-N 3.17Å; V360-K363 PolarHBondContact O-N 2.94Å; V360-I364 HydrophobicContact CG2-CD1 3.99Å; V360-I364 HydrophobicContact CG2-CG1 4.27Å; V360-I364 WeakPolarHBondContact O-CB 3.39Å; V360-I364 VanDerWaalsContact O-CG1 3.27Å; V360-I364 WeakPolarHBondContact O-CG1 3.37Å; V360-I364 PolarHBondContact O-N 2.83Å; V360-V382 HydrophobicContact CG1-CG2 3.99Å; V360-L436 HydrophobicContact CB-CD2 4.33Å; V360-L436 HydrophobicContact CG1-CD2 3.71Å; V360-L436 HydrophobicContact CG2-CD2 3.73Å; V360-L448 HydrophobicContact CB-CB 4.35Å; V360-L448 HydrophobicContact CB-CD1 4.19Å; V360-L448 HydrophobicContact CB-CD2 4.31Å; V360-L448 HydrophobicContact CG2-CB 4.24Å; V360-L448 HydrophobicContact CG2-CD2 4.31Å; V360-V452 HydrophobicContact CG2-CG2 4.13Å
361T98.1Very high96.5Very high8 Ų851.5 Ų51.55%0.04927%0.272CS..Hα-helixtrans-59.5-46.9172.6-61.20000111.1A357 A358 Y359 I364 K365 M372 P377 V382A357-T361 VanDerWaalsContact O-CB 3.31Å; A357-T361 WeakPolarHBondContact O-CB 3.46Å; A357-T361 PolarHBondContact O-N 3.15Å; A357-T361 PolarHBondContact O-OG1 3.16Å; A358-T361 PolarHBondContact O-N 3.2Å; Y359-T361 VanDerWaalsContact C-N 3.31Å; Y359-T361 PolarHBondContact O-N 3Å; T361-I364 PolarHBondContact O-N 2.84Å; T361-K365 HydrophobicContact CG2-CD 4.38Å; T361-K365 WeakPolarHBondContact O-CG 3.49Å; T361-K365 PolarHBondContact O-N 3.15Å; T361-M372 HydrophobicContact CG2-CE 4.12Å; T361-P377 HydrophobicContact CG2-CG 4.27Å; T361-V382 WeakPolarHBondContact OG1-CG2 3.31Å
362A97.8Very high96.7Very high51 Ų5147.8 Ų47.842%0.42126%0.255SS..Hα-helixtrans-64.8-39.8176.400000112.1A358 Y359 V360 R366A358-A362 PolarHBondContact O-N 3.35Å; Y359-A362 PolarHBondContact O-N 3.49Å; V360-A362 PolarHBondContact O-N 3.17Å; A362-R366 WeakPolarHBondContact O-CG 3.15Å; A362-R366 PolarHBondContact O-N 3.11Å
363K97.8Very high96.8Very high36 Ų3643.3 Ų43.316%0.15724%0.24CC..Hα-helixtrans-60.8-46.9175-179.776.2-177.6-141.60111.7Y359 V360 R366 T367 D449 V452Y359-K363 PolarHBondContact O-N 2.92Å; V360-K363 PolarHBondContact O-N 2.94Å; K363-R366 VanDerWaalsContact O-CG 3.23Å; K363-R366 WeakPolarHBondContact O-CG 3.06Å; K363-R366 PolarHBondContact O-N 3.37Å; K363-T367 WeakPolarHBondContact O-CB 3.17Å; K363-T367 PolarHBondContact O-N 3.35Å; K363-T367 PolarHBondContact O-OG1 3.21Å; K363-D449 WeakPolarHBondContact CD-OD1 3.5Å; K363-D449 VanDerWaalsContact CE-OD1 3.27Å; K363-D449 WeakPolarHBondContact CE-OD1 3.37Å; K363-D449 IonicContact NZ-OD1 3.67Å; K363-D449 PolarHBondContact NZ-OD1 3.31Å; K363-V452 HydrophobicContact CG-CB 4.48Å; K363-V452 HydrophobicContact CG-CG1 4.4Å; K363-V452 HydrophobicContact CG-CG2 4.06Å
364I97.6Very high96.7Very high1 Ų144.1 Ų44.11%0.00525%0.245CC..Hα-helixtrans-62.2-48.8179.3-73.1170.8000109.9V360 T361 R366 T367 Y370 M372 V382 F384 V452V360-I364 HydrophobicContact CG2-CD1 3.99Å; V360-I364 HydrophobicContact CG2-CG1 4.27Å; V360-I364 WeakPolarHBondContact O-CB 3.39Å; V360-I364 VanDerWaalsContact O-CG1 3.27Å; V360-I364 WeakPolarHBondContact O-CG1 3.37Å; V360-I364 PolarHBondContact O-N 2.83Å; T361-I364 PolarHBondContact O-N 2.84Å; I364-R366 VanDerWaalsContact C-N 3.26Å; I364-R366 PolarHBondContact O-N 3.12Å; I364-T367 PolarHBondContact O-N 3.47Å; I364-Y370 HydrophobicContact CG1-CD1 4.49Å; I364-Y370 HydrophobicContact CG2-CD1 4.15Å; I364-Y370 HydrophobicContact CG2-CG 4.17Å; I364-M372 HydrophobicContact CB-SD 4.32Å; I364-M372 HydrophobicContact CG2-SD 3.61Å; I364-V382 HydrophobicContact CD1-CG1 3.93Å; I364-F384 HydrophobicContact CD1-CD1 3.59Å; I364-F384 HydrophobicContact CD1-CE1 3.71Å; I364-F384 HydrophobicContact CD1-CG 4.03Å; I364-F384 HydrophobicContact CD1-CZ 4.26Å; I364-F384 HydrophobicContact CG2-CB 4.1Å; I364-F384 HydrophobicContact CG2-CG 4.29Å; I364-V452 HydrophobicContact CG1-CG2 4.1Å
365K97Very high96.4Very high97 Ų9747 Ų4742%0.42226%0.26SS..Hα-helixtrans-56.6-34.7179.4-75.9178.2177.71800114.1T361 M372 I375 Q376T361-K365 HydrophobicContact CG2-CD 4.38Å; T361-K365 WeakPolarHBondContact O-CG 3.49Å; T361-K365 PolarHBondContact O-N 3.15Å; K365-M372 HydrophobicContact CG-CG 3.86Å; K365-I375 WeakPolarHBondContact CE-O 3.2Å; K365-I375 PolarHBondContact NZ-O 2.59Å; K365-Q376 VanDerWaalsContact NZ-OE1 3.09Å
366R96.6Very high96.1Very high155 Ų15551 Ų5159%0.58527%0.267SS*.Hα-helixtrans-88.5-9179.371.4-176.4177.9-151.7-3.6114.2A362 K363 I364A362-R366 WeakPolarHBondContact O-CG 3.15Å; A362-R366 PolarHBondContact O-N 3.11Å; K363-R366 VanDerWaalsContact O-CG 3.23Å; K363-R366 WeakPolarHBondContact O-CG 3.06Å; K363-R366 PolarHBondContact O-N 3.37Å; I364-R366 VanDerWaalsContact C-N 3.26Å; I364-R366 PolarHBondContact O-N 3.12Å
367T96.6Very high95.9Very high30 Ų3051.1 Ų51.118%0.18427%0.269CS..SBendtrans-94.8121.6-174.2-57.90000110.3K363 I364 G369 Y370 V452K363-T367 WeakPolarHBondContact O-CB 3.17Å; K363-T367 PolarHBondContact O-N 3.35Å; K363-T367 PolarHBondContact O-OG1 3.21Å; I364-T367 PolarHBondContact O-N 3.47Å; T367-G369 PolarHBondContact O-N 3.18Å; T367-Y370 HydrophobicContact CG2-CD2 3.67Å; T367-Y370 HydrophobicContact CG2-CE2 3.62Å; T367-Y370 PolarHBondContact O-N 3.25Å; T367-V452 HydrophobicContact CG2-CG1 4.12Å
368P94.7Very high95.7Very high102 Ų10254 Ų5466%0.66228%0.281SS*.THydrogen-bonded Turntrans-60.9135.7-178.1-25.434.6000113.5
369G95.3Very high95.5Very high14 Ų1452.5 Ų52.514%0.14426%0.264CS..THydrogen-bonded Turntrans89.76.1-178.700000114.5T367 Y386 V387 R392T367-G369 PolarHBondContact O-N 3.18Å; G369-Y386 CarbonylContact O-C 3.28Å; G369-Y386 WeakPolarHBondContact O-CA 3.11Å; G369-Y386 WeakPolarHBondContact O-CD2 3.28Å; G369-V387 PolarHBondContact O-N 2.9Å; G369-R392 VanDerWaalsContact CA-NH2 3.32Å
370Y97.1Very high95.3Very high19 Ų1949.1 Ų49.18%0.07525%0.25CS..EExtended strand (participates in β ladder)trans-107.6138168.3-65.7-103.1000109.8I364 T367 F384 W385 Y386 V452 I455 A456I364-Y370 HydrophobicContact CG1-CD1 4.49Å; I364-Y370 HydrophobicContact CG2-CD1 4.15Å; I364-Y370 HydrophobicContact CG2-CG 4.17Å; T367-Y370 HydrophobicContact CG2-CD2 3.67Å; T367-Y370 HydrophobicContact CG2-CE2 3.62Å; T367-Y370 PolarHBondContact O-N 3.25Å; Y370-F384 AromaticContact CD1-CD2 3.68Å; Y370-F384 HydrophobicContact CD1-CD2 3.68Å; Y370-F384 AromaticContact CD1-CE2 3.85Å; Y370-F384 HydrophobicContact CD1-CE2 3.85Å; Y370-F384 HydrophobicContact CE1-CD2 4.19Å; Y370-F384 AromaticContact CE1-CE2 3.86Å; Y370-F384 HydrophobicContact CE1-CE2 3.86Å; Y370-W385 WeakPolarHBondContact CA-O 3.03Å; Y370-Y386 HydrophobicContact CD1-CD2 4.34Å; Y370-Y386 HydrophobicContact CD2-CD2 4.13Å; Y370-Y386 AromaticContact CE1-CD2 3.92Å; Y370-Y386 HydrophobicContact CE1-CD2 3.92Å; Y370-Y386 AromaticContact CE2-CD2 3.65Å; Y370-Y386 HydrophobicContact CE2-CD2 3.65Å; Y370-Y386 AromaticContact CE2-CE2 3.84Å; Y370-Y386 HydrophobicContact CE2-CE2 3.84Å; Y370-Y386 HydrophobicContact CG-CD2 4.42Å; Y370-Y386 AromaticContact CZ-CD2 3.52Å; Y370-Y386 AromaticContact CZ-CE2 3.99Å; Y370-V452 HydrophobicContact CE1-CG1 4.45Å; Y370-V452 HydrophobicContact CE2-CG1 4.16Å; Y370-V452 PolarHBondContact OH-O 2.97Å; Y370-I455 HydrophobicContact CE1-CB 4.35Å; Y370-I455 HydrophobicContact CE1-CG2 3.86Å; Y370-I455 WeakPolarHBondContact OH-CB 2.99Å; Y370-I455 WeakPolarHBondContact OH-CG2 3.46Å; Y370-A456 PolarHBondContact OH-N 3.11Å; Y370-A456 VanDerWaalsContact OH-N 3.16Å
371E96.2Very high95.1Very high69 Ų6949.1 Ų49.132%0.32225%0.25SS..EExtended strand (participates in β ladder)trans-126.5129175.5-66.2-175.8-166.700108.6F384 W385 V387 R399E371-F384 CarbonylContact O-C 3.47Å; E371-F384 WeakPolarHBondContact O-CA 3.37Å; E371-F384 WeakPolarHBondContact O-CB 3.13Å; E371-W385 HydrophobicContact CB-CE3 4.28Å; E371-W385 PolarHBondContact N-O 3.46Å; E371-W385 PolarHBondContact O-N 3.37Å; E371-V387 HydrophobicContact CG-CG2 3.98Å; E371-R399 IonicContact OE1-CZ 2.66Å; E371-R399 IonicContact OE1-NH1 2.9Å; E371-R399 PolarHBondContact OE1-NH1 3.26Å; E371-R399 IonicContact OE2-CZ 3.23Å; E371-R399 IonicContact OE2-NH1 3.27Å; E371-R399 IonicContact OE2-NH2 2.86Å
372M97.3Very high95.1Very high35 Ų3548.8 Ų48.817%0.17225%0.248CC..EExtended strand (participates in β ladder)trans-76.3136.2179-70.3-62.8-59.100110.5T361 I364 K365 L374 P377 V382 F384T361-M372 HydrophobicContact CG2-CE 4.12Å; I364-M372 HydrophobicContact CB-SD 4.32Å; I364-M372 HydrophobicContact CG2-SD 3.61Å; K365-M372 HydrophobicContact CG-CG 3.86Å; M372-L374 WeakPolarHBondContact CE-O 3.29Å; M372-P377 HydrophobicContact CE-CG 3.88Å; M372-V382 HydrophobicContact CE-CG1 3.91Å; M372-V382 HydrophobicContact SD-CG1 4.37Å; M372-F384 HydrophobicContact SD-CB 4.25Å
373V96.6Very high95.1Very high17 Ų1746.5 Ų46.510%0.10323%0.229CC..SBendtrans-73.7-41.4171.2179.90000110.5Y245 C383 W385 K430 F433Y245-V373 HydrophobicContact CE1-CG1 3.66Å; V373-C383 HydrophobicContact CB-CB 3.72Å; V373-C383 HydrophobicContact CG1-CB 4.39Å; V373-C383 HydrophobicContact CG2-CB 3.92Å; V373-C383 PolarHBondContact N-O 2.89Å; V373-W385 HydrophobicContact CB-CH2 4.13Å; V373-W385 HydrophobicContact CB-CZ3 4.01Å; V373-W385 HydrophobicContact CG1-CH2 4.04Å; V373-W385 HydrophobicContact CG1-CZ3 4.4Å; V373-W385 HydrophobicContact CG2-CD2 3.95Å; V373-W385 HydrophobicContact CG2-CE3 3.68Å; V373-W385 HydrophobicContact CG2-CH2 3.69Å; V373-W385 HydrophobicContact CG2-CZ2 3.93Å; V373-W385 HydrophobicContact CG2-CZ3 3.56Å; V373-K430 HydrophobicContact CG1-CD 3.66Å; V373-F433 HydrophobicContact CG1-CE1 4.49Å; V373-F433 HydrophobicContact CG2-CB 3.57Å; V373-F433 HydrophobicContact CG2-CD1 4.01Å; V373-F433 HydrophobicContact CG2-CD2 3.81Å; V373-F433 HydrophobicContact CG2-CE2 4.45Å; V373-F433 HydrophobicContact CG2-CG 3.55Å
374L92.9Very high95.1Very high19 Ų1944.8 Ų44.810%0.09922%0.222CC..SBendtrans-119.7126.8171.7-67.1-177.6000109D210 Y245 M372 Q376D210-L374 WeakPolarHBondContact O-CD2 3.22Å; Y245-L374 HydrophobicContact CD1-CD1 3.48Å; Y245-L374 VanDerWaalsContact CD1-CD1 3.48Å; Y245-L374 HydrophobicContact CD1-CG 3.89Å; Y245-L374 HydrophobicContact CD2-CD1 4.18Å; Y245-L374 HydrophobicContact CE1-CD1 4.24Å; Y245-L374 HydrophobicContact CE1-CG 4.19Å; Y245-L374 HydrophobicContact CG-CD1 3.46Å; Y245-L374 VanDerWaalsContact CG-CD1 3.46Å; Y245-L374 HydrophobicContact CG-CG 4.27Å; M372-L374 WeakPolarHBondContact CE-O 3.29Å; L374-Q376 PolarHBondContact O-N 2.77Å
375I88Confident95.1Very high141 Ų14146.2 Ų46.272%0.72323%0.227SC*.SBendtrans-55.2-41.7-177-64.9176000110.7K365K365-I375 WeakPolarHBondContact CE-O 3.2Å; K365-I375 PolarHBondContact NZ-O 2.59Å
376Q91.7Very high95.1Very high127 Ų12742.1 Ų42.159%0.59321%0.209SC*.SBendtrans-135.1105.1-179.4-167.867.719.800109.5K365 L374K365-Q376 VanDerWaalsContact NZ-OE1 3.09Å; L374-Q376 PolarHBondContact O-N 2.77Å
377P93.5Very high95.1Very high17 Ų1734.8 Ų34.811%0.1118%0.182CC..  trans-64.3145.5172.2-17.930.4000111.9T361 M372 N381 V382T361-P377 HydrophobicContact CG2-CG 4.27Å; M372-P377 HydrophobicContact CE-CG 3.88Å; P377-N381 WeakPolarHBondContact CB-O 3.32Å; P377-V382 HydrophobicContact CG-CG1 4.46Å; P377-V382 HydrophobicContact CG-CG2 4.47Å
378E92.6Very high95.1Very high63 Ų6333.4 Ų33.429%0.29417%0.173SC..SBendtrans-89.7-18.4-179.8-57-156.2148.800113.5K213 F248K213-E378 WeakPolarHBondContact CE-OE1 3.45Å; K213-E378 WeakPolarHBondContact CE-OE2 3.38Å; K213-E378 IonicContact NZ-OE1 3.23Å; K213-E378 PolarHBondContact NZ-OE1 3.19Å; K213-E378 IonicContact NZ-OE2 2.65Å; K213-E378 PolarHBondContact NZ-OE2 3.12Å; F248-E378 HydrophobicContact CD2-CB 4.42Å; F248-E378 PolarHBondContact N-OE2 2.98Å
379F91.8Very high95Very high30 Ų3034.4 Ų34.413%0.13217%0.167CC..SBendtrans-142.9-149.1-172.6-154.7-119.8000112.4F248 L271 V274 M354 N381F248-F379 HydrophobicContact CE2-CB 4Å; F248-F379 AromaticContact CE2-CD2 3.99Å; F248-F379 HydrophobicContact CE2-CD2 3.99Å; F248-F379 HydrophobicContact CE2-CG 4.02Å; F248-F379 HydrophobicContact CZ-CD2 4.08Å; F248-F379 HydrophobicContact CZ-CE2 4.44Å; F248-F379 HydrophobicContact CZ-CG 4.29Å; L271-F379 HydrophobicContact CB-CD1 3.78Å; L271-F379 HydrophobicContact CB-CE1 3.63Å; L271-F379 HydrophobicContact CD1-CD1 3.88Å; L271-F379 HydrophobicContact CD2-CD1 3.99Å; L271-F379 HydrophobicContact CD2-CE1 4.13Å; L271-F379 HydrophobicContact CG-CD1 4.1Å; L271-F379 HydrophobicContact CG-CE1 4.32Å; L271-F379 WeakPolarHBondContact O-CE1 3.08Å; V274-F379 HydrophobicContact CG2-CE1 4.34Å; V274-F379 HydrophobicContact CG2-CZ 3.85Å; M354-F379 HydrophobicContact SD-CE2 4.41Å; F379-N381 PolarHBondContact O-N 3.36Å
380L94Very high94.8Very high0 Ų040.3 Ų40.30%019%0.189CC..SBendtrans-78.5-4.1-175.9-55.6176.5000113.8V274 L353 M354 A357 I437 I438V274-L380 HydrophobicContact CG1-CD1 4Å; V274-L380 HydrophobicContact CG2-CD1 3.96Å; L353-L380 VanDerWaalsContact C-CD2 3.43Å; L353-L380 HydrophobicContact CB-CD1 4.46Å; L353-L380 HydrophobicContact CB-CD2 3.79Å; L353-L380 WeakPolarHBondContact O-CD2 3.31Å; M354-L380 HydrophobicContact CB-CD2 4.46Å; M354-L380 HydrophobicContact CG-CD2 3.84Å; A357-L380 HydrophobicContact CB-CD2 4.35Å; L380-I437 WeakPolarHBondContact O-CA 3.49Å; L380-I438 WeakPolarHBondContact CD1-O 3.15Å; L380-I438 PolarHBondContact O-N 2.64Å
381N94.6Very high94.6Very high1 Ų140 Ų401%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-92.5123.9-178.9-67.349.2000109.6T243 V244 L271 P377 F379 L436T243-N381 PolarHBondContact O-ND2 3.04Å; T243-N381 VanDerWaalsContact O-ND2 3.08Å; V244-N381 WeakPolarHBondContact O-CB 3.29Å; V244-N381 PolarHBondContact O-ND2 3.35Å; L271-N381 VanDerWaalsContact CD1-OD1 3.25Å; L271-N381 WeakPolarHBondContact CD1-OD1 3.17Å; L271-N381 WeakPolarHBondContact CD2-OD1 3.25Å; P377-N381 WeakPolarHBondContact CB-O 3.32Å; F379-N381 PolarHBondContact O-N 3.36Å; N381-L436 CarbonylContact C-O 3.37Å; N381-L436 WeakPolarHBondContact CA-O 3.39Å
382V96.9Very high94.4Very high0 Ų040.7 Ų40.70%019%0.188CC..EExtended strand (participates in β ladder)trans-120.7109.5176.6-173.30000107.8A357 V360 T361 I364 M372 P377 F384 L436A357-V382 HydrophobicContact CB-CG2 4.47Å; V360-V382 HydrophobicContact CG1-CG2 3.99Å; T361-V382 WeakPolarHBondContact OG1-CG2 3.31Å; I364-V382 HydrophobicContact CD1-CG1 3.93Å; M372-V382 HydrophobicContact CE-CG1 3.91Å; M372-V382 HydrophobicContact SD-CG1 4.37Å; P377-V382 HydrophobicContact CG-CG1 4.46Å; P377-V382 HydrophobicContact CG-CG2 4.47Å; V382-F384 HydrophobicContact CG1-CD1 4.34Å; V382-L436 HydrophobicContact CB-CB 4.29Å; V382-L436 HydrophobicContact CB-CD2 4.4Å; V382-L436 PolarHBondContact N-O 3.5Å; V382-L436 PolarHBondContact O-N 2.91Å
383C97.9Very high94.1Very high3 Ų347.4 Ų47.42%0.0222%0.218CC..EExtended strand (participates in β ladder)trans-101.8125.5-177-64.10000110.6V244 Y245 V373 F433 F434V244-C383 PolarHBondContact O-SG 3.11Å; V244-C383 VanDerWaalsContact O-SG 3.33Å; Y245-C383 HydrophobicContact CD1-CB 4.29Å; Y245-C383 HydrophobicContact CE1-CB 4.4Å; V373-C383 HydrophobicContact CB-CB 3.72Å; V373-C383 HydrophobicContact CG1-CB 4.39Å; V373-C383 HydrophobicContact CG2-CB 3.92Å; V373-C383 PolarHBondContact N-O 2.89Å; C383-F433 HydrophobicContact CB-CD2 3.95Å; C383-F433 HydrophobicContact CB-CE2 3.99Å; C383-F434 VanDerWaalsContact CA-O 3.31Å; C383-F434 WeakPolarHBondContact CA-O 3.18Å
384F98.2Very high93.9Very high0 Ų048.8 Ų48.80%023%0.225CC..EExtended strand (participates in β ladder)trans-154.5154.8-175.663.9-87.6000112.3I364 Y370 E371 M372 V382 F434 L436 F451 I455I364-F384 HydrophobicContact CD1-CD1 3.59Å; I364-F384 HydrophobicContact CD1-CE1 3.71Å; I364-F384 HydrophobicContact CD1-CG 4.03Å; I364-F384 HydrophobicContact CD1-CZ 4.26Å; I364-F384 HydrophobicContact CG2-CB 4.1Å; I364-F384 HydrophobicContact CG2-CG 4.29Å; Y370-F384 AromaticContact CD1-CD2 3.68Å; Y370-F384 HydrophobicContact CD1-CD2 3.68Å; Y370-F384 AromaticContact CD1-CE2 3.85Å; Y370-F384 HydrophobicContact CD1-CE2 3.85Å; Y370-F384 HydrophobicContact CE1-CD2 4.19Å; Y370-F384 AromaticContact CE1-CE2 3.86Å; Y370-F384 HydrophobicContact CE1-CE2 3.86Å; E371-F384 CarbonylContact O-C 3.47Å; E371-F384 WeakPolarHBondContact O-CA 3.37Å; E371-F384 WeakPolarHBondContact O-CB 3.13Å; M372-F384 HydrophobicContact SD-CB 4.25Å; V382-F384 HydrophobicContact CG1-CD1 4.34Å; F384-F434 HydrophobicContact CD1-CB 4.45Å; F384-F434 HydrophobicContact CD2-CB 4.3Å; F384-F434 HydrophobicContact CD2-CD2 4.29Å; F384-F434 HydrophobicContact CE1-CB 4.03Å; F384-F434 HydrophobicContact CE2-CB 3.85Å; F384-F434 AromaticContact CE2-CD2 3.77Å; F384-F434 HydrophobicContact CE2-CD2 3.77Å; F384-F434 HydrophobicContact CE2-CG 4.15Å; F384-F434 HydrophobicContact CZ-CB 3.7Å; F384-F434 HydrophobicContact CZ-CD2 4.34Å; F384-F434 HydrophobicContact CZ-CG 4.28Å; F384-F434 PolarHBondContact N-O 3Å; F384-F434 PolarHBondContact O-N 2.91Å; F384-L436 HydrophobicContact CE1-CB 3.88Å; F384-F451 HydrophobicContact CE1-CE1 4.13Å; F384-F451 HydrophobicContact CE1-CZ 4.38Å; F384-F451 AromaticContact CZ-CE1 3.68Å; F384-F451 HydrophobicContact CZ-CE1 3.68Å; F384-F451 AromaticContact CZ-CZ 3.8Å; F384-F451 HydrophobicContact CZ-CZ 3.8Å; F384-I455 HydrophobicContact CE2-CD1 3.75Å; F384-I455 HydrophobicContact CZ-CD1 3.67Å
385W97.9Very high93.8Very high32 Ų3255.2 Ų55.212%0.12125%0.254CS..EExtended strand (participates in β ladder)trans-96.6151164.1-63.9-82.6000110.7Y370 E371 V373 V387 L403 K430 P431 N432 F433Y370-W385 WeakPolarHBondContact CA-O 3.03Å; E371-W385 HydrophobicContact CB-CE3 4.28Å; E371-W385 PolarHBondContact N-O 3.46Å; E371-W385 PolarHBondContact O-N 3.37Å; V373-W385 HydrophobicContact CB-CH2 4.13Å; V373-W385 HydrophobicContact CB-CZ3 4.01Å; V373-W385 HydrophobicContact CG1-CH2 4.04Å; V373-W385 HydrophobicContact CG1-CZ3 4.4Å; V373-W385 HydrophobicContact CG2-CD2 3.95Å; V373-W385 HydrophobicContact CG2-CE3 3.68Å; V373-W385 HydrophobicContact CG2-CH2 3.69Å; V373-W385 HydrophobicContact CG2-CZ2 3.93Å; V373-W385 HydrophobicContact CG2-CZ3 3.56Å; W385-V387 HydrophobicContact CB-CG2 4.49Å; W385-L403 HydrophobicContact CB-CD1 4.35Å; W385-L403 HydrophobicContact CB-CD2 4.1Å; W385-L403 HydrophobicContact CD2-CD2 4.28Å; W385-L403 HydrophobicContact CG-CD2 3.74Å; W385-L403 HydrophobicContact CG-CG 4.32Å; W385-K430 HydrophobicContact CH2-CD 4.04Å; W385-K430 HydrophobicContact CH2-CG 4.45Å; W385-K430 HydrophobicContact CZ2-CB 3.99Å; W385-K430 HydrophobicContact CZ2-CD 4.23Å; W385-K430 HydrophobicContact CZ2-CG 4.36Å; W385-P431 HydrophobicContact CZ2-CG 4.42Å; W385-P431 PolarHBondContact NE1-O 2.93Å; W385-N432 VanDerWaalsContact CD1-O 3.24Å; W385-N432 PolarHBondContact NE1-O 3.13Å; W385-F433 HydrophobicContact CD2-CB 4.14Å; W385-F433 HydrophobicContact CG-CB 4.1Å; W385-F433 HydrophobicContact CZ2-CB 4.44Å; W385-F433 HydrophobicContact CZ2-CD1 4.18Å
386Y97.7Very high93.9Very high11 Ų1151.5 Ų51.54%0.04325%0.245CC..EExtended strand (participates in β ladder)trans-104.1124.3158.2177.7-101.1000108.6G369 Y370 P388 L403 V406 I410 I455 A456G369-Y386 CarbonylContact O-C 3.28Å; G369-Y386 WeakPolarHBondContact O-CA 3.11Å; G369-Y386 WeakPolarHBondContact O-CD2 3.28Å; Y370-Y386 HydrophobicContact CD1-CD2 4.34Å; Y370-Y386 HydrophobicContact CD2-CD2 4.13Å; Y370-Y386 AromaticContact CE1-CD2 3.92Å; Y370-Y386 HydrophobicContact CE1-CD2 3.92Å; Y370-Y386 AromaticContact CE2-CD2 3.65Å; Y370-Y386 HydrophobicContact CE2-CD2 3.65Å; Y370-Y386 AromaticContact CE2-CE2 3.84Å; Y370-Y386 HydrophobicContact CE2-CE2 3.84Å; Y370-Y386 HydrophobicContact CG-CD2 4.42Å; Y370-Y386 AromaticContact CZ-CD2 3.52Å; Y370-Y386 AromaticContact CZ-CE2 3.99Å; Y386-P388 HydrophobicContact CD1-CG 4.14Å; Y386-P388 HydrophobicContact CE1-CB 4.3Å; Y386-P388 HydrophobicContact CE1-CG 4.02Å; Y386-P388 WeakPolarHBondContact O-CD 3.39Å; Y386-L403 WeakPolarHBondContact O-CD1 3.39Å; Y386-V406 HydrophobicContact CD1-CG1 4.38Å; Y386-V406 WeakPolarHBondContact O-CG1 3.41Å; Y386-I410 HydrophobicContact CD1-CD1 3.58Å; Y386-I410 HydrophobicContact CE1-CD1 4.29Å; Y386-I410 HydrophobicContact CG-CD1 4.25Å; Y386-I455 HydrophobicContact CD1-CG2 4.44Å; Y386-I455 HydrophobicContact CD2-CG2 3.97Å; Y386-I455 HydrophobicContact CG-CG2 3.79Å; Y386-A456 HydrophobicContact CE2-CB 4Å; Y386-A456 PolarHBondContact OH-O 2.95Å
387V96.3Very high93.8Very high1 Ų153.6 Ų53.61%0.00626%0.255CS..  trans-107.1101.6-179.5-171.40000108.9G369 E371 W385 L391 R392 L403G369-V387 PolarHBondContact O-N 2.9Å; E371-V387 HydrophobicContact CG-CG2 3.98Å; W385-V387 HydrophobicContact CB-CG2 4.49Å; V387-L391 HydrophobicContact CG1-CB 4.11Å; V387-R392 HydrophobicContact CB-CG 4.46Å; V387-R392 HydrophobicContact CG1-CG 3.82Å; V387-R392 PolarHBondContact O-NE 3.26Å; V387-R392 PolarHBondContact O-NH2 2.88Å; V387-L403 HydrophobicContact CG2-CD1 4.15Å
388P95.3Very high93.7Very high0 Ų056.9 Ų56.90%027%0.269CS..  trans-59151.6178.6-21.432.3000111.6Y386 K390 L391 V406 I462Y386-P388 HydrophobicContact CD1-CG 4.14Å; Y386-P388 HydrophobicContact CE1-CB 4.3Å; Y386-P388 HydrophobicContact CE1-CG 4.02Å; Y386-P388 WeakPolarHBondContact O-CD 3.39Å; P388-K390 PolarHBondContact O-N 3.44Å; P388-L391 HydrophobicContact CG-CD1 4.47Å; P388-L391 PolarHBondContact O-N 3.34Å; P388-V406 HydrophobicContact CG-CG1 3.85Å; P388-V406 HydrophobicContact CG-CG2 4.01Å; P388-I462 VanDerWaalsContact CB-OXT 3.27Å; P388-I462 WeakPolarHBondContact CB-OXT 3.47Å; P388-I462 HydrophobicContact CG-CB 4.43Å; P388-I462 HydrophobicContact CG-CG2 4.43Å
389K93.2Very high93.7Very high123 Ų12357 Ų5754%0.53527%0.267SS..G310 helixtrans-48.5-40.7-176.5-69.2172.2-177.7163.20112.9L391 R392 E460K389-L391 VanDerWaalsContact C-N 3.27Å; K389-L391 PolarHBondContact O-N 3.18Å; K389-R392 PolarHBondContact O-N 3.29Å; K389-E460 IonicContact NZ-OE1 3.34Å; K389-E460 PolarHBondContact NZ-OE1 2.86Å
390K91.4Very high93.6Very high139 Ų13958.5 Ų58.560%0.60428%0.278SS*.G310 helixtrans-65.2-22.1-179.6-62.9178.7-167.4157.40114.9P388 I462P388-K390 PolarHBondContact O-N 3.44Å; K390-I462 PolarHBondContact NZ-O 3.1Å
391L93.3Very high93.5Very high13 Ų1361.6 Ų61.67%0.06830%0.304CS..G310 helixtrans-98.9-12.1-177-55.4-171000113.4V387 P388 K389 H393 L394 R402 V406V387-L391 HydrophobicContact CG1-CB 4.11Å; P388-L391 HydrophobicContact CG-CD1 4.47Å; P388-L391 PolarHBondContact O-N 3.34Å; K389-L391 VanDerWaalsContact C-N 3.27Å; K389-L391 PolarHBondContact O-N 3.18Å; L391-H393 PolarHBondContact O-N 3.47Å; L391-L394 HydrophobicContact CB-CD1 4.35Å; L391-L394 HydrophobicContact CD2-CD1 3.53Å; L391-L394 PolarHBondContact O-N 2.82Å; L391-R402 HydrophobicContact CD1-CB 3.95Å; L391-R402 HydrophobicContact CD2-CB 3.88Å; L391-R402 HydrophobicContact CD2-CG 4.41Å; L391-V406 HydrophobicContact CD1-CG2 3.76Å
392R91.3Very high93.4Very high82 Ų8267.6 Ų67.631%0.30933%0.326SS..THydrogen-bonded Turntrans-67.1-22.9-171.3-65.4176.9-169.3175.8-0.2114.1G369 V387 K389G369-R392 VanDerWaalsContact CA-NH2 3.32Å; V387-R392 HydrophobicContact CB-CG 4.46Å; V387-R392 HydrophobicContact CG1-CG 3.82Å; V387-R392 PolarHBondContact O-NE 3.26Å; V387-R392 PolarHBondContact O-NH2 2.88Å; K389-R392 PolarHBondContact O-N 3.29Å
393H91.6Very high93.3Very high177 Ų17768 Ų6882%0.81933%0.329SS*.THydrogen-bonded Turntrans-109.39.4-177.2-54.5-63.2000113.2L391L391-H393 PolarHBondContact O-N 3.47Å
394L91.7Very high93.1Very high46 Ų4671.2 Ų71.224%0.24134%0.343CS..SBendtrans-82.9153177.1-62.4-179.9000111L391 E398 R399L391-L394 HydrophobicContact CB-CD1 4.35Å; L391-L394 HydrophobicContact CD2-CD1 3.53Å; L391-L394 PolarHBondContact O-N 2.82Å; L394-E398 HydrophobicContact CD1-CG 4.35Å; L394-R399 HydrophobicContact CB-CB 4.2Å
395E91.5Very high93Very high153 Ų15377.9 Ų77.972%0.71537%0.372SS*.  trans-58.9150.7171.4-69.3-58.6140.600111.6E397 E398 R399E395-E397 PolarHBondContact O-N 3.49Å; E395-E398 PolarHBondContact O-N 3.44Å; E395-R399 WeakPolarHBondContact O-CB 3.2Å; E395-R399 PolarHBondContact O-N 2.82Å
396A89.1Confident93Very high64 Ų6476.5 Ų76.553%0.52937%0.367SS..Hα-helixtrans-56.1-45-166.700000114R399 T400A396-R399 PolarHBondContact O-N 3.33Å; A396-T400 WeakPolarHBondContact O-CB 3.25Å; A396-T400 PolarHBondContact O-N 3.34Å; A396-T400 PolarHBondContact O-OG1 2.9Å
397E89.6Confident93Very high171 Ų17176.1 Ų76.180%0.79937%0.366SS*.Hα-helixtrans-68.5-46.2-177.6-168.2174.9-173.900111.9E395 R399 T400 A401E395-E397 PolarHBondContact O-N 3.49Å; E397-R399 VanDerWaalsContact C-N 3.31Å; E397-R399 PolarHBondContact O-N 3.02Å; E397-T400 PolarHBondContact O-N 3.33Å; E397-A401 PolarHBondContact O-N 2.87Å
398E91.9Very high93.1Very high85 Ų8578 Ų7840%0.39738%0.379SS..Hα-helixtrans-64-39.3175.4-174.7176.3-170.100111.4L394 E395 A401 R402L394-E398 HydrophobicContact CD1-CG 4.35Å; E395-E398 PolarHBondContact O-N 3.44Å; E398-A401 PolarHBondContact O-N 3.41Å; E398-R402 HydrophobicContact CG-CG 4.49Å; E398-R402 WeakPolarHBondContact O-CB 3.06Å; E398-R402 WeakPolarHBondContact O-CG 3.46Å; E398-R402 PolarHBondContact O-N 3.5Å; E398-R402 IonicContact OE1-CZ 2.7Å; E398-R402 IonicContact OE1-NE 3.36Å; E398-R402 PolarHBondContact OE1-NE 3.23Å; E398-R402 IonicContact OE1-NH2 2.94Å; E398-R402 PolarHBondContact OE1-NH2 2.96Å
399R92.4Very high93.2Very high67 Ų6783.5 Ų83.525%0.25340%0.402SS..Hα-helixtrans-59.7-49.8175.7-172.2177.373.9144.99.8110.5E371 L394 E395 A396 E397 R402 L403E371-R399 IonicContact OE1-CZ 2.66Å; E371-R399 IonicContact OE1-NH1 2.9Å; E371-R399 PolarHBondContact OE1-NH1 3.26Å; E371-R399 IonicContact OE2-CZ 3.23Å; E371-R399 IonicContact OE2-NH1 3.27Å; E371-R399 IonicContact OE2-NH2 2.86Å; L394-R399 HydrophobicContact CB-CB 4.2Å; E395-R399 WeakPolarHBondContact O-CB 3.2Å; E395-R399 PolarHBondContact O-N 2.82Å; A396-R399 PolarHBondContact O-N 3.33Å; E397-R399 VanDerWaalsContact C-N 3.31Å; E397-R399 PolarHBondContact O-N 3.02Å; R399-R402 PolarHBondContact O-N 3.38Å; R399-L403 WeakPolarHBondContact O-CB 3.39Å; R399-L403 PolarHBondContact O-N 3.13Å
400T90.6Very high93.4Very high60 Ų6077.6 Ų77.637%0.36838%0.377SS..Hα-helixtrans-59.4-48.6178.5-64.40000111.7A396 E397 R402 L403 E404 P431A396-T400 WeakPolarHBondContact O-CB 3.25Å; A396-T400 PolarHBondContact O-N 3.34Å; A396-T400 PolarHBondContact O-OG1 2.9Å; E397-T400 PolarHBondContact O-N 3.33Å; T400-R402 VanDerWaalsContact C-N 3.3Å; T400-R402 PolarHBondContact O-N 2.86Å; T400-L403 PolarHBondContact O-N 3.01Å; T400-E404 PolarHBondContact O-N 3.43Å; T400-P431 HydrophobicContact CG2-CB 4.38Å; T400-P431 HydrophobicContact CG2-CG 3.96Å
401A91.4Very high93.7Very high66 Ų6672 Ų7255%0.54535%0.352SS..Hα-helixtrans-62.2-35.1179.600000113.1E397 E398E397-A401 PolarHBondContact O-N 2.87Å; E398-A401 PolarHBondContact O-N 3.41Å
402R93.3Very high93.9Very high127 Ų12772.8 Ų72.848%0.47936%0.364SS..Hα-helixtrans-79.2-34.3175.7-68.9-177.6-176.6-144.53.1112.5L391 E398 R399 T400 E404 K405L391-R402 HydrophobicContact CD1-CB 3.95Å; L391-R402 HydrophobicContact CD2-CB 3.88Å; L391-R402 HydrophobicContact CD2-CG 4.41Å; E398-R402 HydrophobicContact CG-CG 4.49Å; E398-R402 WeakPolarHBondContact O-CB 3.06Å; E398-R402 WeakPolarHBondContact O-CG 3.46Å; E398-R402 PolarHBondContact O-N 3.5Å; E398-R402 IonicContact OE1-CZ 2.7Å; E398-R402 IonicContact OE1-NE 3.36Å; E398-R402 PolarHBondContact OE1-NE 3.23Å; E398-R402 IonicContact OE1-NH2 2.94Å; E398-R402 PolarHBondContact OE1-NH2 2.96Å; R399-R402 PolarHBondContact O-N 3.38Å; T400-R402 VanDerWaalsContact C-N 3.3Å; T400-R402 PolarHBondContact O-N 2.86Å; R402-E404 VanDerWaalsContact C-N 3.26Å; R402-E404 PolarHBondContact O-N 3.17Å; R402-K405 PolarHBondContact O-N 3.39Å
403L94Very high94.2Very high9 Ų971.9 Ų71.95%0.04736%0.362CS..Hα-helixtrans-62.4-34.5179.7-169.761000111.8W385 Y386 V387 R399 T400 K405 V406 P431W385-L403 HydrophobicContact CB-CD1 4.35Å; W385-L403 HydrophobicContact CB-CD2 4.1Å; W385-L403 HydrophobicContact CD2-CD2 4.28Å; W385-L403 HydrophobicContact CG-CD2 3.74Å; W385-L403 HydrophobicContact CG-CG 4.32Å; Y386-L403 WeakPolarHBondContact O-CD1 3.39Å; V387-L403 HydrophobicContact CG2-CD1 4.15Å; R399-L403 WeakPolarHBondContact O-CB 3.39Å; R399-L403 PolarHBondContact O-N 3.13Å; T400-L403 PolarHBondContact O-N 3.01Å; L403-K405 PolarHBondContact O-N 2.72Å; L403-V406 HydrophobicContact CD1-CB 4.35Å; L403-V406 HydrophobicContact CD1-CG2 4.18Å; L403-V406 WeakPolarHBondContact O-CB 3.31Å; L403-V406 PolarHBondContact O-N 3.24Å; L403-P431 HydrophobicContact CB-CG 4.44Å; L403-P431 HydrophobicContact CD2-CG 4.15Å; L403-P431 HydrophobicContact CG-CG 4.43Å
404E94.4Very high94.4Very high69 Ų6963.5 Ų63.532%0.32232%0.323SS..THydrogen-bonded Turntrans-49.2-33.6173.8-178.260.3-162.100113.3T400 R402 P408 P431 N432T400-E404 PolarHBondContact O-N 3.43Å; R402-E404 VanDerWaalsContact C-N 3.26Å; R402-E404 PolarHBondContact O-N 3.17Å; E404-P408 WeakPolarHBondContact O-CD 3.27Å; E404-P431 HydrophobicContact CB-CB 4.04Å; E404-P431 VanDerWaalsContact OE2-C 3.28Å; E404-P431 WeakPolarHBondContact OE2-CA 3.25Å; E404-P431 WeakPolarHBondContact OE2-CB 3.38Å; E404-N432 PolarHBondContact O-ND2 2.96Å; E404-N432 PolarHBondContact OE1-ND2 2.87Å; E404-N432 PolarHBondContact OE2-N 3.11Å
405K96.1Very high94.6Very high140 Ų14063.2 Ų63.261%0.60932%0.321SS*.THydrogen-bonded Turntrans-92.1-6.7-177.1-61.4-179.2-178.2176.40113.7R402 L403 K409R402-K405 PolarHBondContact O-N 3.39Å; L403-K405 PolarHBondContact O-N 2.72Å; K405-K409 WeakPolarHBondContact O-CD 3.45Å; K405-K409 VanDerWaalsContact O-CG 3.27Å; K405-K409 WeakPolarHBondContact O-CG 3.27Å
406V97.3Very high94.8Very high4 Ų462.4 Ų62.42%0.02432%0.317CS..Hα-helixtrans-75.6-54.3-174176.20000111.3Y386 P388 L391 L403 K409 I410 I462Y386-V406 HydrophobicContact CD1-CG1 4.38Å; Y386-V406 WeakPolarHBondContact O-CG1 3.41Å; P388-V406 HydrophobicContact CG-CG1 3.85Å; P388-V406 HydrophobicContact CG-CG2 4.01Å; L391-V406 HydrophobicContact CD1-CG2 3.76Å; L403-V406 HydrophobicContact CD1-CB 4.35Å; L403-V406 HydrophobicContact CD1-CG2 4.18Å; L403-V406 WeakPolarHBondContact O-CB 3.31Å; L403-V406 PolarHBondContact O-N 3.24Å; V406-K409 PolarHBondContact O-N 3.03Å; V406-K409 VanDerWaalsContact O-N 3.15Å; V406-I410 HydrophobicContact CG1-CD1 3.71Å; V406-I410 HydrophobicContact CG1-CG1 4.31Å; V406-I410 PolarHBondContact O-N 2.92Å; V406-I462 HydrophobicContact CG2-CG2 4.5Å
407A97.7Very high95.1Very high3 Ų360.6 Ų60.63%0.02530%0.303CS..Hα-helixtrans-59.6-43.2-176.800000113.5K409 I410 K411 Y424 N432 F434A407-K409 PolarHBondContact O-N 3.04Å; A407-I410 PolarHBondContact O-N 3.18Å; A407-K411 WeakPolarHBondContact O-CB 3.39Å; A407-K411 PolarHBondContact O-N 2.92Å; A407-Y424 HydrophobicContact CB-CD2 4.2Å; A407-Y424 HydrophobicContact CB-CG 3.93Å; A407-N432 HydrophobicContact CB-CB 4.13Å; A407-F434 HydrophobicContact CB-CD1 4.36Å; A407-F434 HydrophobicContact CB-CD2 4.45Å; A407-F434 HydrophobicContact CB-CE1 3.89Å; A407-F434 HydrophobicContact CB-CE2 3.98Å; A407-F434 HydrophobicContact CB-CZ 3.69Å
408P97.8Very high95.5Very high40 Ų4052.5 Ų52.526%0.2627%0.265SS..Hα-helixtrans-56.6-43.9172.9-23.730.4000113.9E404 K411 G412 Y424E404-P408 WeakPolarHBondContact O-CD 3.27Å; P408-K411 PolarHBondContact O-N 3.21Å; P408-G412 PolarHBondContact O-N 3.22Å; P408-Y424 HydrophobicContact CB-CE1 4.4Å; P408-Y424 HydrophobicContact CB-CE2 4.14Å; P408-Y424 WeakPolarHBondContact CB-OH 3.41Å; P408-Y424 HydrophobicContact CG-CD2 4.29Å; P408-Y424 HydrophobicContact CG-CE2 3.57Å
409K97.6Very high95.7Very high115 Ų11550.2 Ų50.250%0.526%0.257SS..Hα-helixtrans-67.2-43.5-179-75.8178.3-179.6-1760112.2K405 V406 A407 K411 G412 K413 I462K405-K409 WeakPolarHBondContact O-CD 3.45Å; K405-K409 VanDerWaalsContact O-CG 3.27Å; K405-K409 WeakPolarHBondContact O-CG 3.27Å; V406-K409 PolarHBondContact O-N 3.03Å; V406-K409 VanDerWaalsContact O-N 3.15Å; A407-K409 PolarHBondContact O-N 3.04Å; K409-K411 VanDerWaalsContact C-N 3.33Å; K409-G412 PolarHBondContact O-N 3.45Å; K409-K413 PolarHBondContact O-N 3.44Å; K409-I462 HydrophobicContact CB-CD1 3.58Å; K409-I462 HydrophobicContact CB-CG1 4.41Å; K409-I462 HydrophobicContact CD-CD1 4.42Å; K409-I462 HydrophobicContact CD-CG2 4.11Å
410I97.8Very high96Very high0 Ų047 Ų470%025%0.245CC..Hα-helixtrans-63.2-43.4175.3-67.5178.1000109.8Y386 V406 A407 G412 K413 M414 F434 I455 L458 I462Y386-I410 HydrophobicContact CD1-CD1 3.58Å; Y386-I410 HydrophobicContact CE1-CD1 4.29Å; Y386-I410 HydrophobicContact CG-CD1 4.25Å; V406-I410 HydrophobicContact CG1-CD1 3.71Å; V406-I410 HydrophobicContact CG1-CG1 4.31Å; V406-I410 PolarHBondContact O-N 2.92Å; A407-I410 PolarHBondContact O-N 3.18Å; I410-G412 VanDerWaalsContact C-N 3.34Å; I410-G412 PolarHBondContact O-N 3.08Å; I410-K413 PolarHBondContact O-N 3.02Å; I410-M414 HydrophobicContact CG2-CE 4.27Å; I410-M414 WeakPolarHBondContact O-CB 3.49Å; I410-M414 PolarHBondContact O-N 3.13Å; I410-F434 HydrophobicContact CB-CZ 3.86Å; I410-F434 HydrophobicContact CD1-CE2 4.25Å; I410-F434 HydrophobicContact CD1-CZ 4.2Å; I410-F434 HydrophobicContact CG2-CE1 4.45Å; I410-F434 HydrophobicContact CG2-CZ 3.76Å; I410-I455 HydrophobicContact CD1-CG2 4.32Å; I410-L458 HydrophobicContact CG2-CB 4.14Å; I410-L458 HydrophobicContact CG2-CD1 4.44Å; I410-I462 HydrophobicContact CD1-CD1 4.33Å; I410-I462 HydrophobicContact CG1-CD1 3.45Å; I410-I462 VanDerWaalsContact CG1-CD1 3.45Å
411K97.7Very high96.3Very high21 Ų2144.9 Ų44.99%0.09123%0.231CC..Hα-helixtrans-60.9-40.9176.8179.753.3172.4-74.10112.3N84 A407 P408 K409 M414 M415 V422 Y424N84-K411 PolarHBondContact OD1-NZ 3.43Å; A407-K411 WeakPolarHBondContact O-CB 3.39Å; A407-K411 PolarHBondContact O-N 2.92Å; P408-K411 PolarHBondContact O-N 3.21Å; K409-K411 VanDerWaalsContact C-N 3.33Å; K411-M414 HydrophobicContact CD-SD 4.22Å; K411-M414 WeakPolarHBondContact O-CB 3.44Å; K411-M414 PolarHBondContact O-N 3Å; K411-M415 HydrophobicContact CD-CG 4.05Å; K411-M415 HydrophobicContact CD-SD 4.11Å; K411-M415 HydrophobicContact CG-SD 4.12Å; K411-M415 WeakPolarHBondContact O-CG 3.48Å; K411-M415 PolarHBondContact O-N 3.39Å; K411-V422 WeakPolarHBondContact CD-O 3.14Å; K411-V422 PolarHBondContact NZ-O 3.34Å; K411-Y424 HydrophobicContact CB-CD1 3.73Å; K411-Y424 HydrophobicContact CB-CE1 3.6Å; K411-Y424 HydrophobicContact CG-CD1 3.99Å; K411-Y424 HydrophobicContact CG-CE1 3.75Å
412G96.5Very high96.6Very high30 Ų3041.7 Ų41.731%0.30921%0.205SC..Hα-helixtrans-55.8-54.2173.800000112P408 K409 I410 M414 M415 E416P408-G412 PolarHBondContact O-N 3.22Å; K409-G412 PolarHBondContact O-N 3.45Å; I410-G412 VanDerWaalsContact C-N 3.34Å; I410-G412 PolarHBondContact O-N 3.08Å; G412-M414 VanDerWaalsContact C-N 3.29Å; G412-M414 PolarHBondContact O-N 3.13Å; G412-M415 PolarHBondContact O-N 2.98Å; G412-E416 PolarHBondContact O-N 3.36Å; G412-E416 VanDerWaalsContact O-N 3.1Å
413K97.3Very high96.8Very high63 Ų6336.2 Ų36.227%0.27419%0.187SC..Hα-helixtrans-63.2-34.1177.9-63.1179.9176.4173.50113.2K409 I410 E416 A417 L458 S461K409-K413 PolarHBondContact O-N 3.44Å; I410-K413 PolarHBondContact O-N 3.02Å; K413-E416 PolarHBondContact O-N 3.38Å; K413-A417 WeakPolarHBondContact O-CB 3.37Å; K413-A417 PolarHBondContact O-N 2.91Å; K413-L458 HydrophobicContact CB-CD2 3.87Å; K413-L458 PolarHBondContact NZ-O 3.34Å; K413-S461 PolarHBondContact NZ-OG 3.14Å
414M96.9Very high97Very high0 Ų039.7 Ų39.70%020%0.2CC..Hα-helixtrans-64.4-40.4176.6178.3-179.2-69.100111.6I410 K411 G412 G418 T420 M421 V422 I455 L458I410-M414 HydrophobicContact CG2-CE 4.27Å; I410-M414 WeakPolarHBondContact O-CB 3.49Å; I410-M414 PolarHBondContact O-N 3.13Å; K411-M414 HydrophobicContact CD-SD 4.22Å; K411-M414 WeakPolarHBondContact O-CB 3.44Å; K411-M414 PolarHBondContact O-N 3Å; G412-M414 VanDerWaalsContact C-N 3.29Å; G412-M414 PolarHBondContact O-N 3.13Å; M414-G418 PolarHBondContact O-N 2.85Å; M414-T420 HydrophobicContact CE-CG2 3.66Å; M414-T420 HydrophobicContact CG-CG2 3.84Å; M414-T420 WeakPolarHBondContact CG-O 3.47Å; M414-T420 HydrophobicContact SD-CG2 3.78Å; M414-M421 VanDerWaalsContact SD-CA 3.58Å; M414-V422 HydrophobicContact CE-CG1 3.92Å; M414-V422 HydrophobicContact SD-CG1 3.93Å; M414-I455 HydrophobicContact CE-CG1 4Å; M414-L458 HydrophobicContact CB-CD1 3.69Å; M414-L458 HydrophobicContact CE-CD1 4.29Å; M414-L458 HydrophobicContact CG-CD1 4.34Å
415M96Very high97.1Very high41 Ų4137.9 Ų37.920%0.20219%0.191CC..Hα-helixtrans-68.4-41.7175.6-70.4172.958.200111.9F39 K411 G412 G418F39-M415 HydrophobicContact CB-CB 4.36Å; F39-M415 WeakPolarHBondContact CB-O 3.26Å; F39-M415 HydrophobicContact CD1-CB 4.33Å; F39-M415 HydrophobicContact CD2-CB 4.43Å; F39-M415 HydrophobicContact CD2-CE 3.41Å; F39-M415 VanDerWaalsContact CD2-CE 3.41Å; F39-M415 HydrophobicContact CE1-CE 4.38Å; F39-M415 HydrophobicContact CE2-CE 3.18Å; F39-M415 HydrophobicContact CG-CB 4.1Å; F39-M415 HydrophobicContact CG-CE 4.13Å; F39-M415 HydrophobicContact CZ-CE 3.72Å; K411-M415 HydrophobicContact CD-CG 4.05Å; K411-M415 HydrophobicContact CD-SD 4.11Å; K411-M415 HydrophobicContact CG-SD 4.12Å; K411-M415 WeakPolarHBondContact O-CG 3.48Å; K411-M415 PolarHBondContact O-N 3.39Å; G412-M415 PolarHBondContact O-N 2.98Å; M415-G418 PolarHBondContact O-N 3.46Å
416E95.5Very high97.2Very high135 Ų13534.7 Ų34.763%0.63118%0.184SC*.Hα-helixtrans-61.9-44.2174.9-69.5169.6-174.300112.2G412 K413G412-E416 PolarHBondContact O-N 3.36Å; G412-E416 VanDerWaalsContact O-N 3.1Å; K413-E416 PolarHBondContact O-N 3.38Å
417A96.4Very high97Very high27 Ų2735.7 Ų35.722%0.22319%0.19CC..Hα-helixtrans-66.8-40.7176.800000111.7K35 K413 T419K35-A417 WeakPolarHBondContact CE-O 3.19Å; K413-A417 WeakPolarHBondContact O-CB 3.37Å; K413-A417 PolarHBondContact O-N 2.91Å; A417-T419 VanDerWaalsContact C-N 3.29Å; A417-T419 HydrophobicContact CB-CG2 4.1Å
418G97.1Very high96.6Very high0 Ų041.1 Ų41.10%021%0.213CC..THydrogen-bonded Turntrans72.818.9-178.200000113.8K35 V36 I37 M414 M415K35-G418 CarbonylContact C-O 3.59Å; K35-G418 VanDerWaalsContact CA-O 3.28Å; K35-G418 WeakPolarHBondContact CA-O 3.38Å; V36-G418 PolarHBondContact N-O 3.38Å; I37-G418 WeakPolarHBondContact O-CA 3.4Å; M414-G418 PolarHBondContact O-N 2.85Å; M415-G418 PolarHBondContact O-N 3.46Å
419T97.1Very high96.2Very high38 Ų3846.9 Ų46.923%0.23324%0.242CC..SBendtrans-86.1-30.2-172.9470000113.9A417 F450 E454A417-T419 VanDerWaalsContact C-N 3.29Å; A417-T419 HydrophobicContact CB-CG2 4.1Å; T419-F450 HydrophobicContact CG2-CZ 4.36Å; T419-E454 WeakPolarHBondContact CB-OE1 3.35Å; T419-E454 PolarHBondContact OG1-OE1 3.28Å
420T97.8Very high96Very high0 Ų044.5 Ų44.50%023%0.231CC..  trans-156172.4175.3-175.20000108.7R81 M414 F451 E454R81-T420 WeakPolarHBondContact O-CA 3.47Å; R81-T420 PolarHBondContact O-OG1 2.77Å; M414-T420 HydrophobicContact CE-CG2 3.66Å; M414-T420 HydrophobicContact CG-CG2 3.84Å; M414-T420 WeakPolarHBondContact CG-O 3.47Å; M414-T420 HydrophobicContact SD-CG2 3.78Å; T420-F451 HydrophobicContact CG2-CD2 4.18Å; T420-E454 HydrophobicContact CG2-CG 4.01Å
421M97.7Very high95.9Very high14 Ų1445.2 Ų45.27%0.06924%0.236CC..EExtended strand (participates in β ladder)trans-145.3132.9168.5-69.3-176.271.100109.9V36 I37 V75 R81 F82 F83 N84 M414V36-M421 HydrophobicContact CG1-CB 4.34Å; V36-M421 HydrophobicContact CG1-CG 3.77Å; V36-M421 HydrophobicContact CG1-SD 3.8Å; I37-M421 HydrophobicContact CB-SD 4.24Å; I37-M421 HydrophobicContact CG2-CG 4.46Å; I37-M421 HydrophobicContact CG2-SD 3.93Å; V75-M421 HydrophobicContact CG1-SD 3.85Å; R81-M421 PolarHBondContact O-N 3Å; F82-M421 HydrophobicContact CD2-CB 3.99Å; F82-M421 HydrophobicContact CD2-CG 4.48Å; F82-M421 HydrophobicContact CD2-SD 4.1Å; F82-M421 HydrophobicContact CE2-CB 4.33Å; F82-M421 HydrophobicContact CE2-SD 4.03Å; F83-M421 CarbonylContact C-O 3.55Å; F83-M421 VanDerWaalsContact C-O 3.28Å; F83-M421 VanDerWaalsContact CA-O 3.25Å; F83-M421 WeakPolarHBondContact CA-O 3.42Å; F83-M421 WeakPolarHBondContact CB-O 3.47Å; F83-M421 PolarHBondContact N-O 2.65Å; N84-M421 HydrophobicContact CB-CB 4.03Å; N84-M421 PolarHBondContact N-O 3.12Å; M414-M421 VanDerWaalsContact SD-CA 3.58Å
422V97.8Very high95.9Very high0 Ų045 Ų450%024%0.236CC..EExtended strand (participates in β ladder)trans-137.8148.1171.464.60000110.3F83 N84 K411 M414 F434 R435 L436 F451 I455F83-V422 HydrophobicContact CB-CB 4.37Å; F83-V422 HydrophobicContact CB-CG2 4.4Å; N84-V422 PolarHBondContact OD1-O 3.09Å; K411-V422 WeakPolarHBondContact CD-O 3.14Å; K411-V422 PolarHBondContact NZ-O 3.34Å; M414-V422 HydrophobicContact CE-CG1 3.92Å; M414-V422 HydrophobicContact SD-CG1 3.93Å; V422-F434 HydrophobicContact CG1-CD1 3.61Å; V422-F434 HydrophobicContact CG1-CE1 4.04Å; V422-F434 HydrophobicContact CG1-CG 4.38Å; V422-R435 WeakPolarHBondContact CG2-O 3.46Å; V422-L436 HydrophobicContact CG2-CB 4.35Å; V422-F451 HydrophobicContact CB-CE2 3.72Å; V422-F451 HydrophobicContact CB-CZ 4.01Å; V422-F451 HydrophobicContact CG1-CE2 3.71Å; V422-F451 HydrophobicContact CG1-CZ 3.96Å; V422-F451 HydrophobicContact CG2-CE2 4.24Å; V422-F451 HydrophobicContact CG2-CZ 4.04Å; V422-I455 HydrophobicContact CG1-CD1 4.48Å
423A97.1Very high96Very high12 Ų1243.6 Ų43.610%0.09922%0.221CC..EExtended strand (participates in β ladder)trans-79.1155.7175.500000111.5N84 F434 R435N84-A423 WeakPolarHBondContact O-CB 3.41Å; A423-F434 WeakPolarHBondContact O-CA 3.4Å; A423-R435 PolarHBondContact O-N 3.5Å
424Y98Very high96.1Very high82 Ų8240.7 Ų40.732%0.32221%0.208SC..EExtended strand (participates in β ladder)trans-137.2155.5167.371.7-92.6000109A407 P408 K411 N432 F433A407-Y424 HydrophobicContact CB-CD2 4.2Å; A407-Y424 HydrophobicContact CB-CG 3.93Å; P408-Y424 HydrophobicContact CB-CE1 4.4Å; P408-Y424 HydrophobicContact CB-CE2 4.14Å; P408-Y424 WeakPolarHBondContact CB-OH 3.41Å; P408-Y424 HydrophobicContact CG-CD2 4.29Å; P408-Y424 HydrophobicContact CG-CE2 3.57Å; K411-Y424 HydrophobicContact CB-CD1 3.73Å; K411-Y424 HydrophobicContact CB-CE1 3.6Å; K411-Y424 HydrophobicContact CG-CD1 3.99Å; K411-Y424 HydrophobicContact CG-CE1 3.75Å; Y424-N432 HydrophobicContact CD2-CB 4.01Å; Y424-F433 CarbonylContact C-O 3.59Å; Y424-F433 WeakPolarHBondContact CA-O 3.24Å; Y424-F433 VanDerWaalsContact CB-O 3.26Å; Y424-F433 WeakPolarHBondContact CB-O 2.95Å
425Q97Very high96.1Very high31 Ų3142 Ų4215%0.14521%0.213CC..EExtended strand (participates in β ladder)trans-162.9159176.369.2-76.1-10.600110.3V244 N432 F433V244-Q425 VanDerWaalsContact CG1-NE2 3.32Å; V244-Q425 HydrophobicContact CG2-CG 4.49Å; Q425-N432 WeakPolarHBondContact O-CA 3.32Å; Q425-F433 PolarHBondContact N-O 3.21Å; Q425-F433 VanDerWaalsContact N-O 3.08Å; Q425-F433 VanDerWaalsContact NE2-CE2 3.27Å; Q425-F433 WeakPolarHBondContact O-CD1 3.28Å; Q425-F433 PolarHBondContact O-N 3.43Å
426P96.4Very high96.1Very high72 Ų7240 Ų4047%0.46820%0.204SC..EExtended strand (participates in β ladder)trans-82.6166165.535.2-30.9000110.4N432P426-N432 WeakPolarHBondContact CD-OD1 3.28Å; P426-N432 VanDerWaalsContact N-OD1 3.16Å
427D94.1Very high96Very high25 Ų2533.6 Ų33.613%0.13417%0.174CC..EExtended strand (participates in β ladder)trans-148.1115.5168.9176.146000110.8Y245 D429 K430 F433Y245-D427 WeakPolarHBondContact CE2-OD2 3.49Å; Y245-D427 PolarHBondContact OH-OD2 2.94Å; D427-D429 PolarHBondContact O-N 3.44Å; D427-K430 PolarHBondContact N-O 2.86Å; D427-K430 WeakPolarHBondContact O-CA 3.31Å; D427-K430 WeakPolarHBondContact O-CB 3.39Å; D427-K430 PolarHBondContact O-N 3.29Å; D427-F433 HydrophobicContact CB-CE1 3.67Å; D427-F433 HydrophobicContact CB-CZ 3.75Å
428K89Confident95.8Very high118 Ų11832.3 Ų32.351%0.51316%0.163SC..THydrogen-bonded Turntrans52.9-119.5-177.3-58.6154-171.6145.80109.8D184 K430D184-K428 IonicContact OD1-NZ 3.89Å; D184-K428 PolarHBondContact OD1-NZ 3.42Å; D184-K428 IonicContact OD2-NZ 3.97Å; K428-K430 VanDerWaalsContact C-N 3.31Å
429D89.8Confident95.6Very high161 Ų16132.4 Ų32.486%0.86116%0.163SC*.THydrogen-bonded Turntrans-86.40.3179.2-50.3-47.4000113.5D427D427-D429 PolarHBondContact O-N 3.44Å
430K93.5Very high95.3Very high65 Ų6530.8 Ų30.828%0.28315%0.153SC..EExtended strand (participates in β ladder)trans-84.7127.2179.9-63.2-169.9-174.276.50110.5Y245 V373 W385 D427 K428 F433Y245-K430 PolarHBondContact OH-NZ 3.27Å; V373-K430 HydrophobicContact CG1-CD 3.66Å; W385-K430 HydrophobicContact CH2-CD 4.04Å; W385-K430 HydrophobicContact CH2-CG 4.45Å; W385-K430 HydrophobicContact CZ2-CB 3.99Å; W385-K430 HydrophobicContact CZ2-CD 4.23Å; W385-K430 HydrophobicContact CZ2-CG 4.36Å; D427-K430 PolarHBondContact N-O 2.86Å; D427-K430 WeakPolarHBondContact O-CA 3.31Å; D427-K430 WeakPolarHBondContact O-CB 3.39Å; D427-K430 PolarHBondContact O-N 3.29Å; K428-K430 VanDerWaalsContact C-N 3.31Å; K430-F433 HydrophobicContact CB-CD1 4.36Å; K430-F433 HydrophobicContact CB-CE1 4.14Å; K430-F433 HydrophobicContact CD-CE1 4.49Å
431P95.4Very high95Very high15 Ų1532.2 Ų32.210%0.09716%0.163CC..EExtended strand (participates in β ladder)trans-69164.2176.931.8-36.8000111W385 T400 L403 E404 F433W385-P431 HydrophobicContact CZ2-CG 4.42Å; W385-P431 PolarHBondContact NE1-O 2.93Å; T400-P431 HydrophobicContact CG2-CB 4.38Å; T400-P431 HydrophobicContact CG2-CG 3.96Å; L403-P431 HydrophobicContact CB-CG 4.44Å; L403-P431 HydrophobicContact CD2-CG 4.15Å; L403-P431 HydrophobicContact CG-CG 4.43Å; E404-P431 HydrophobicContact CB-CB 4.04Å; E404-P431 VanDerWaalsContact OE2-C 3.28Å; E404-P431 WeakPolarHBondContact OE2-CA 3.25Å; E404-P431 WeakPolarHBondContact OE2-CB 3.38Å; P431-F433 WeakPolarHBondContact O-CD1 3.5Å; P431-F433 PolarHBondContact O-N 3.03Å; P431-F433 VanDerWaalsContact O-N 3.08Å
432N98.1Very high94.8Very high17 Ų1733 Ų339%0.09117%0.172CC..EExtended strand (participates in β ladder)trans-42.4115.4180-74.9-50.5000113W385 E404 A407 Y424 Q425 P426W385-N432 VanDerWaalsContact CD1-O 3.24Å; W385-N432 PolarHBondContact NE1-O 3.13Å; E404-N432 PolarHBondContact O-ND2 2.96Å; E404-N432 PolarHBondContact OE1-ND2 2.87Å; E404-N432 PolarHBondContact OE2-N 3.11Å; A407-N432 HydrophobicContact CB-CB 4.13Å; Y424-N432 HydrophobicContact CD2-CB 4.01Å; Q425-N432 WeakPolarHBondContact O-CA 3.32Å; P426-N432 WeakPolarHBondContact CD-OD1 3.28Å; P426-N432 VanDerWaalsContact N-OD1 3.16Å
433F98.2Very high94.8Very high0 Ų033 Ų330%017%0.172CC..EExtended strand (participates in β ladder)trans-116.9158.7172.451.4-90.9000110.8V244 Y245 V373 C383 W385 Y424 Q425 D427 K430 P431V244-F433 HydrophobicContact CG1-CE2 3.76Å; V244-F433 HydrophobicContact CG1-CZ 3.81Å; Y245-F433 HydrophobicContact CE1-CE2 4.19Å; Y245-F433 AromaticContact CE1-CZ 3.98Å; Y245-F433 HydrophobicContact CE1-CZ 3.98Å; V373-F433 HydrophobicContact CG1-CE1 4.49Å; V373-F433 HydrophobicContact CG2-CB 3.57Å; V373-F433 HydrophobicContact CG2-CD1 4.01Å; V373-F433 HydrophobicContact CG2-CD2 3.81Å; V373-F433 HydrophobicContact CG2-CE2 4.45Å; V373-F433 HydrophobicContact CG2-CG 3.55Å; C383-F433 HydrophobicContact CB-CD2 3.95Å; C383-F433 HydrophobicContact CB-CE2 3.99Å; W385-F433 HydrophobicContact CD2-CB 4.14Å; W385-F433 HydrophobicContact CG-CB 4.1Å; W385-F433 HydrophobicContact CZ2-CB 4.44Å; W385-F433 HydrophobicContact CZ2-CD1 4.18Å; Y424-F433 CarbonylContact C-O 3.59Å; Y424-F433 WeakPolarHBondContact CA-O 3.24Å; Y424-F433 VanDerWaalsContact CB-O 3.26Å; Y424-F433 WeakPolarHBondContact CB-O 2.95Å; Q425-F433 PolarHBondContact N-O 3.21Å; Q425-F433 VanDerWaalsContact N-O 3.08Å; Q425-F433 VanDerWaalsContact NE2-CE2 3.27Å; Q425-F433 WeakPolarHBondContact O-CD1 3.28Å; Q425-F433 PolarHBondContact O-N 3.43Å; D427-F433 HydrophobicContact CB-CE1 3.67Å; D427-F433 HydrophobicContact CB-CZ 3.75Å; K430-F433 HydrophobicContact CB-CD1 4.36Å; K430-F433 HydrophobicContact CB-CE1 4.14Å; K430-F433 HydrophobicContact CD-CE1 4.49Å; P431-F433 WeakPolarHBondContact O-CD1 3.5Å; P431-F433 PolarHBondContact O-N 3.03Å; P431-F433 VanDerWaalsContact O-N 3.08Å
434F98.4Very high94.8Very high1 Ų134.7 Ų34.70%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-78.6142.7171.6-66-69.9000111.1C383 F384 A407 I410 V422 A423 I455C383-F434 VanDerWaalsContact CA-O 3.31Å; C383-F434 WeakPolarHBondContact CA-O 3.18Å; F384-F434 HydrophobicContact CD1-CB 4.45Å; F384-F434 HydrophobicContact CD2-CB 4.3Å; F384-F434 HydrophobicContact CD2-CD2 4.29Å; F384-F434 HydrophobicContact CE1-CB 4.03Å; F384-F434 HydrophobicContact CE2-CB 3.85Å; F384-F434 AromaticContact CE2-CD2 3.77Å; F384-F434 HydrophobicContact CE2-CD2 3.77Å; F384-F434 HydrophobicContact CE2-CG 4.15Å; F384-F434 HydrophobicContact CZ-CB 3.7Å; F384-F434 HydrophobicContact CZ-CD2 4.34Å; F384-F434 HydrophobicContact CZ-CG 4.28Å; F384-F434 PolarHBondContact N-O 3Å; F384-F434 PolarHBondContact O-N 2.91Å; A407-F434 HydrophobicContact CB-CD1 4.36Å; A407-F434 HydrophobicContact CB-CD2 4.45Å; A407-F434 HydrophobicContact CB-CE1 3.89Å; A407-F434 HydrophobicContact CB-CE2 3.98Å; A407-F434 HydrophobicContact CB-CZ 3.69Å; I410-F434 HydrophobicContact CB-CZ 3.86Å; I410-F434 HydrophobicContact CD1-CE2 4.25Å; I410-F434 HydrophobicContact CD1-CZ 4.2Å; I410-F434 HydrophobicContact CG2-CE1 4.45Å; I410-F434 HydrophobicContact CG2-CZ 3.76Å; V422-F434 HydrophobicContact CG1-CD1 3.61Å; V422-F434 HydrophobicContact CG1-CE1 4.04Å; V422-F434 HydrophobicContact CG1-CG 4.38Å; A423-F434 WeakPolarHBondContact O-CA 3.4Å; F434-I455 HydrophobicContact CD2-CD1 4.36Å; F434-I455 HydrophobicContact CE2-CD1 4.48Å; F434-I455 HydrophobicContact CE2-CG2 4.39Å
435R97.4Very high94.8Very high28 Ų2833 Ų3311%0.10618%0.179CC..EExtended strand (participates in β ladder)trans-119.897170.5-176.7-165.468.1-174.7-4.8109.1T243 V244 V422 A423 I437T243-R435 WeakPolarHBondContact O-CD 3.39Å; T243-R435 PolarHBondContact O-NH1 2.85Å; V244-R435 WeakPolarHBondContact O-CD 3.47Å; V422-R435 WeakPolarHBondContact CG2-O 3.46Å; A423-R435 PolarHBondContact O-N 3.5Å; R435-I437 HydrophobicContact CG-CD1 4.45Å; R435-I437 HydrophobicContact CG-CG1 4.23Å; R435-I437 VanDerWaalsContact NE-CD1 3.35Å
436L96.8Very high94.9Very high0 Ų037.3 Ų37.30%020%0.199CC..EExtended strand (participates in β ladder)trans-78.3131.4171.1171.762.8000109.2F83 V360 N381 V382 F384 V422 I438 F451F83-L436 HydrophobicContact CB-CD1 3.54Å; F83-L436 HydrophobicContact CD1-CD1 3.68Å; F83-L436 HydrophobicContact CD2-CD1 3.89Å; F83-L436 HydrophobicContact CE1-CD1 4.35Å; F83-L436 HydrophobicContact CG-CD1 3.42Å; F83-L436 VanDerWaalsContact CG-CD1 3.42Å; V360-L436 HydrophobicContact CB-CD2 4.33Å; V360-L436 HydrophobicContact CG1-CD2 3.71Å; V360-L436 HydrophobicContact CG2-CD2 3.73Å; N381-L436 CarbonylContact C-O 3.37Å; N381-L436 WeakPolarHBondContact CA-O 3.39Å; V382-L436 HydrophobicContact CB-CB 4.29Å; V382-L436 HydrophobicContact CB-CD2 4.4Å; V382-L436 PolarHBondContact N-O 3.5Å; V382-L436 PolarHBondContact O-N 2.91Å; F384-L436 HydrophobicContact CE1-CB 3.88Å; V422-L436 HydrophobicContact CG2-CB 4.35Å; L436-I438 HydrophobicContact CD1-CD1 3.65Å; L436-I438 HydrophobicContact CD2-CD1 3.94Å; L436-I438 HydrophobicContact CG-CD1 3.66Å; L436-I438 HydrophobicContact CG-CG1 4.46Å; L436-F451 HydrophobicContact CB-CE1 4.41Å; L436-F451 HydrophobicContact CB-CZ 4.43Å; L436-F451 HydrophobicContact CD1-CD1 4.45Å; L436-F451 HydrophobicContact CD1-CE1 4.06Å; L436-F451 HydrophobicContact CD1-CZ 4.09Å; L436-F451 HydrophobicContact CD2-CD1 4.14Å; L436-F451 HydrophobicContact CD2-CE1 3.73Å; L436-F451 HydrophobicContact CD2-CZ 4.47Å; L436-F451 HydrophobicContact CG-CE1 4.3Å
437I93Very high95Very high0 Ų034.2 Ų34.20%018%0.179CC..EExtended strand (participates in β ladder)trans-123.5122.7175.6-61.2159.5000109L86 L380 R435 S439L86-I437 HydrophobicContact CD2-CD1 3.55Å; L86-I437 HydrophobicContact CD2-CG1 4.32Å; L86-I437 HydrophobicContact CD2-CG2 4.32Å; L86-I437 HydrophobicContact CG-CD1 3.86Å; L380-I437 WeakPolarHBondContact O-CA 3.49Å; R435-I437 HydrophobicContact CG-CD1 4.45Å; R435-I437 HydrophobicContact CG-CG1 4.23Å; R435-I437 VanDerWaalsContact NE-CD1 3.35Å; I437-S439 PolarHBondContact O-N 3.05Å
438I93.2Very high95.2Very high0 Ų033 Ų330%017%0.172CC..  trans-97.482.4-179.7-50.1-51.9000110.1F83 L353 L356 A357 L380 L436 L448F83-I438 HydrophobicContact CD1-CD1 4.3Å; F83-I438 HydrophobicContact CE1-CD1 4.27Å; L353-I438 HydrophobicContact CB-CG2 4.45Å; L353-I438 HydrophobicContact CD2-CG2 3.7Å; L356-I438 HydrophobicContact CB-CG2 3.77Å; L356-I438 HydrophobicContact CD1-CG2 4.3Å; A357-I438 HydrophobicContact CB-CB 4.49Å; A357-I438 HydrophobicContact CB-CG1 4.23Å; L380-I438 WeakPolarHBondContact CD1-O 3.15Å; L380-I438 PolarHBondContact O-N 2.64Å; L436-I438 HydrophobicContact CD1-CD1 3.65Å; L436-I438 HydrophobicContact CD2-CD1 3.94Å; L436-I438 HydrophobicContact CG-CD1 3.66Å; L436-I438 HydrophobicContact CG-CG1 4.46Å; I438-L448 HydrophobicContact CD1-CD2 3.57Å
439S91.3Very high95.6Very high1 Ų129 Ų291%0.00716%0.157CC..  trans-116.9-11.4179.358.60000115.6L86 T88 I437 P441L86-S439 WeakPolarHBondContact O-CB 3.48Å; L86-S439 PolarHBondContact O-OG 3.07Å; T88-S439 PolarHBondContact OG1-OG 2.73Å; I437-S439 PolarHBondContact O-N 3.05Å; S439-P441 WeakPolarHBondContact O-CD 3.46Å
440N92.3Very high96Very high4 Ų424.1 Ų24.12%0.02113%0.128CC..  trans-86.2117.6-179.1-170.8-7.3000111.2G78 H79 T88 G89 L353 A442 T443G78-N440 PolarHBondContact O-ND2 3.38Å; H79-N440 PolarHBondContact O-ND2 3.44Å; T88-N440 WeakPolarHBondContact OG1-CB 3.45Å; T88-N440 PolarHBondContact OG1-N 2.96Å; T88-N440 VanDerWaalsContact OG1-N 3.07Å; G89-N440 VanDerWaalsContact CA-OD1 3.24Å; G89-N440 WeakPolarHBondContact CA-OD1 3.41Å; L353-N440 WeakPolarHBondContact CD2-O 3.32Å; N440-A442 PolarHBondContact O-N 3.03Å; N440-A442 VanDerWaalsContact O-N 3.15Å; N440-A442 VanDerWaalsContact OD1-CB 3.29Å; N440-A442 WeakPolarHBondContact OD1-CB 3.39Å; N440-A442 PolarHBondContact OD1-N 3.17Å; N440-T443 WeakPolarHBondContact O-CB 3.32Å; N440-T443 PolarHBondContact O-N 3Å; N440-T443 VanDerWaalsContact O-N 3.14Å; N440-T443 PolarHBondContact O-OG1 3.22Å
441P91.3Very high96.2Very high30 Ų3021 Ų2120%0.19511%0.114CC..THydrogen-bonded Turntrans-63-16.7173.8-19.531.3000114.5Q349 R352 S439 T443Q349-P441 HydrophobicContact CG-CB 4.42Å; Q349-P441 HydrophobicContact CG-CG 4.12Å; R352-P441 PolarHBondContact NH1-O 3.38Å; R352-P441 PolarHBondContact NH2-O 2.97Å; S439-P441 WeakPolarHBondContact O-CD 3.46Å; P441-T443 VanDerWaalsContact C-N 3.29Å
442A93.7Very high96.4Very high32 Ų3220.4 Ų20.426%0.26411%0.11SC..THydrogen-bonded Turntrans-74.2-22.5176.700000112.3P80 N440 T444P80-A442 HydrophobicContact CB-CB 4.33Å; P80-A442 HydrophobicContact CG-CB 4.01Å; N440-A442 PolarHBondContact O-N 3.03Å; N440-A442 VanDerWaalsContact O-N 3.15Å; N440-A442 VanDerWaalsContact OD1-CB 3.29Å; N440-A442 WeakPolarHBondContact OD1-CB 3.39Å; N440-A442 PolarHBondContact OD1-N 3.17Å; A442-T444 PolarHBondContact O-N 3.31Å
443T96.1Very high96.4Very high0 Ų024 Ų240%013%0.129CC..  trans-63.6132.6-178.9-57.90000111.9P80 F83 R352 L356 N440 P441 D447 L448P80-T443 PolarHBondContact O-OG1 3.06Å; F83-T443 HydrophobicContact CE1-CG2 3.78Å; F83-T443 HydrophobicContact CZ-CG2 3.98Å; R352-T443 PolarHBondContact NH2-O 3.44Å; L356-T443 WeakPolarHBondContact CD1-O 3.35Å; N440-T443 WeakPolarHBondContact O-CB 3.32Å; N440-T443 PolarHBondContact O-N 3Å; N440-T443 VanDerWaalsContact O-N 3.14Å; N440-T443 PolarHBondContact O-OG1 3.22Å; P441-T443 VanDerWaalsContact C-N 3.29Å; T443-D447 HydrophobicContact CG2-CB 4.16Å; T443-L448 HydrophobicContact CG2-CD1 4.38Å; T443-L448 HydrophobicContact CG2-CD2 3.93Å; T443-L448 HydrophobicContact CG2-CG 3.94Å
444T97.8Very high96.3Very high47 Ų4724.4 Ų24.429%0.28813%0.131SC..  trans-113.4177.9173.9750000112.1A442 E446 D447 L448A442-T444 PolarHBondContact O-N 3.31Å; T444-E446 VanDerWaalsContact C-N 3.29Å; T444-E446 WeakPolarHBondContact CB-OE2 3.37Å; T444-E446 PolarHBondContact OG1-N 3.15Å; T444-E446 PolarHBondContact OG1-OE2 3.29Å; T444-D447 PolarHBondContact N-OD2 3.1Å; T444-D447 PolarHBondContact O-N 3.44Å; T444-D447 PolarHBondContact OG1-N 3.33Å; T444-D447 PolarHBondContact OG1-OD2 3.42Å; T444-L448 WeakPolarHBondContact O-CG 3.17Å; T444-L448 PolarHBondContact O-N 2.77Å
445T98.4Very high96.3Very high46 Ų4624.4 Ų24.428%0.28213%0.131SC..Hα-helixtrans-63.4-36.4172.737.40000112L356 Y359 D447 L448 D449L356-T445 HydrophobicContact CD2-CG2 3.89Å; Y359-T445 HydrophobicContact CD1-CG2 3.83Å; Y359-T445 HydrophobicContact CD2-CG2 4.18Å; Y359-T445 HydrophobicContact CE1-CG2 3.86Å; Y359-T445 HydrophobicContact CE2-CG2 4.21Å; Y359-T445 HydrophobicContact CG-CG2 3.99Å; T445-D447 VanDerWaalsContact C-N 3.33Å; T445-D447 PolarHBondContact O-N 2.91Å; T445-L448 PolarHBondContact O-N 2.9Å; T445-L448 VanDerWaalsContact O-N 3.15Å; T445-D449 PolarHBondContact O-N 3.32Å
446E98.3Very high96.3Very high121 Ų12124.4 Ų24.457%0.56514%0.137SC*.Hα-helixtrans-64.1-37.5177.5-60.171.4-151.800111.7T444 L448 D449 F450T444-E446 VanDerWaalsContact C-N 3.29Å; T444-E446 WeakPolarHBondContact CB-OE2 3.37Å; T444-E446 PolarHBondContact OG1-N 3.15Å; T444-E446 PolarHBondContact OG1-OE2 3.29Å; E446-L448 VanDerWaalsContact C-N 3.31Å; E446-L448 PolarHBondContact O-N 3.17Å; E446-D449 PolarHBondContact O-N 2.86Å; E446-F450 WeakPolarHBondContact O-CB 3.47Å; E446-F450 PolarHBondContact O-N 2.99Å
447D98.3Very high96.3Very high7 Ų730.8 Ų30.84%0.03716%0.161CC..Hα-helixtrans-65.2-36.4174.3-67.7-46.9000112.4P80 R81 T443 T444 T445 F451P80-D447 WeakPolarHBondContact CB-OD2 3.45Å; R81-D447 HydrophobicContact CG-CB 4.04Å; R81-D447 WeakPolarHBondContact CG-OD1 3.47Å; R81-D447 IonicContact CZ-OD1 2.83Å; R81-D447 IonicContact NE-OD1 3.72Å; R81-D447 PolarHBondContact NE-OD1 2.96Å; R81-D447 IonicContact NH2-OD1 3.94Å; T443-D447 HydrophobicContact CG2-CB 4.16Å; T444-D447 PolarHBondContact N-OD2 3.1Å; T444-D447 PolarHBondContact O-N 3.44Å; T444-D447 PolarHBondContact OG1-N 3.33Å; T444-D447 PolarHBondContact OG1-OD2 3.42Å; T445-D447 VanDerWaalsContact C-N 3.33Å; T445-D447 PolarHBondContact O-N 2.91Å; D447-F451 VanDerWaalsContact O-CB 3.31Å; D447-F451 WeakPolarHBondContact O-CB 3.24Å; D447-F451 PolarHBondContact O-N 3.43Å
448L98.5Very high96.4Very high0 Ų031.2 Ų31.20%016%0.163CC..Hα-helixtrans-74.3-38.5178.6-63.6170.2000111.7F83 L356 Y359 V360 I438 T443 T444 T445 E446 F451 V452F83-L448 HydrophobicContact CE1-CD2 4.29Å; F83-L448 HydrophobicContact CZ-CD2 4.11Å; L356-L448 HydrophobicContact CB-CD1 3.94Å; L356-L448 HydrophobicContact CD2-CD1 3.85Å; L356-L448 HydrophobicContact CG-CD1 4.41Å; Y359-L448 HydrophobicContact CD1-CB 4.42Å; Y359-L448 HydrophobicContact CD1-CD1 4.14Å; Y359-L448 HydrophobicContact CE1-CB 4.4Å; V360-L448 HydrophobicContact CB-CB 4.35Å; V360-L448 HydrophobicContact CB-CD1 4.19Å; V360-L448 HydrophobicContact CB-CD2 4.31Å; V360-L448 HydrophobicContact CG2-CB 4.24Å; V360-L448 HydrophobicContact CG2-CD2 4.31Å; I438-L448 HydrophobicContact CD1-CD2 3.57Å; T443-L448 HydrophobicContact CG2-CD1 4.38Å; T443-L448 HydrophobicContact CG2-CD2 3.93Å; T443-L448 HydrophobicContact CG2-CG 3.94Å; T444-L448 WeakPolarHBondContact O-CG 3.17Å; T444-L448 PolarHBondContact O-N 2.77Å; T445-L448 PolarHBondContact O-N 2.9Å; T445-L448 VanDerWaalsContact O-N 3.15Å; E446-L448 VanDerWaalsContact C-N 3.31Å; E446-L448 PolarHBondContact O-N 3.17Å; L448-F451 WeakPolarHBondContact O-CB 3.39Å; L448-F451 PolarHBondContact O-N 2.96Å; L448-V452 WeakPolarHBondContact O-CG2 3.25Å; L448-V452 PolarHBondContact O-N 3.05Å
449D98.4Very high96.5Very high35 Ų3531.2 Ų31.219%0.18716%0.163CC..Hα-helixtrans-62.3-48.4171.9-76.3-47.9000110.6Y359 K363 T445 E446 F451 V452 D453Y359-D449 VanDerWaalsContact OH-CG 3.27Å; Y359-D449 PolarHBondContact OH-OD1 3.15Å; Y359-D449 VanDerWaalsContact OH-OD1 3.11Å; Y359-D449 PolarHBondContact OH-OD2 3.38Å; K363-D449 WeakPolarHBondContact CD-OD1 3.5Å; K363-D449 VanDerWaalsContact CE-OD1 3.27Å; K363-D449 WeakPolarHBondContact CE-OD1 3.37Å; K363-D449 IonicContact NZ-OD1 3.67Å; K363-D449 PolarHBondContact NZ-OD1 3.31Å; T445-D449 PolarHBondContact O-N 3.32Å; E446-D449 PolarHBondContact O-N 2.86Å; D449-F451 VanDerWaalsContact C-N 3.29Å; D449-F451 PolarHBondContact O-N 3.26Å; D449-V452 PolarHBondContact O-N 3.26Å; D449-D453 PolarHBondContact O-N 2.63Å
450F98.2Very high96.4Very high58 Ų5836.7 Ų36.725%0.25419%0.189SC..Hα-helixtrans-55.5-44.9173.4176.7-89.1000111.8T419 E446 V452 D453 E454T419-F450 HydrophobicContact CG2-CZ 4.36Å; E446-F450 WeakPolarHBondContact O-CB 3.47Å; E446-F450 PolarHBondContact O-N 2.99Å; F450-V452 PolarHBondContact O-N 3.4Å; F450-D453 PolarHBondContact O-N 3.49Å; F450-E454 HydrophobicContact CD1-CB 4.39Å; F450-E454 HydrophobicContact CE1-CB 4.05Å; F450-E454 HydrophobicContact CE1-CG 4.16Å; F450-E454 HydrophobicContact CZ-CB 4.34Å; F450-E454 HydrophobicContact CZ-CG 4.35Å; F450-E454 WeakPolarHBondContact O-CB 3.26Å; F450-E454 PolarHBondContact O-N 3.24Å
451F98.2Very high95.9Very high0 Ų040.4 Ų40.40%022%0.215CC..Hα-helixtrans-59.6-45.7179.4168.4-100000112.6F83 F384 T420 V422 L436 D447 L448 D449 E454 I455F83-F451 AromaticContact CD2-CD2 3.75Å; F83-F451 HydrophobicContact CD2-CD2 3.75Å; F83-F451 HydrophobicContact CD2-CE2 4.11Å; F83-F451 HydrophobicContact CD2-CG 4.24Å; F83-F451 HydrophobicContact CE2-CB 4.01Å; F83-F451 AromaticContact CE2-CD2 3.93Å; F83-F451 HydrophobicContact CE2-CD2 3.93Å; F83-F451 HydrophobicContact CE2-CG 4.06Å; F384-F451 HydrophobicContact CE1-CE1 4.13Å; F384-F451 HydrophobicContact CE1-CZ 4.38Å; F384-F451 AromaticContact CZ-CE1 3.68Å; F384-F451 HydrophobicContact CZ-CE1 3.68Å; F384-F451 AromaticContact CZ-CZ 3.8Å; F384-F451 HydrophobicContact CZ-CZ 3.8Å; T420-F451 HydrophobicContact CG2-CD2 4.18Å; V422-F451 HydrophobicContact CB-CE2 3.72Å; V422-F451 HydrophobicContact CB-CZ 4.01Å; V422-F451 HydrophobicContact CG1-CE2 3.71Å; V422-F451 HydrophobicContact CG1-CZ 3.96Å; V422-F451 HydrophobicContact CG2-CE2 4.24Å; V422-F451 HydrophobicContact CG2-CZ 4.04Å; L436-F451 HydrophobicContact CB-CE1 4.41Å; L436-F451 HydrophobicContact CB-CZ 4.43Å; L436-F451 HydrophobicContact CD1-CD1 4.45Å; L436-F451 HydrophobicContact CD1-CE1 4.06Å; L436-F451 HydrophobicContact CD1-CZ 4.09Å; L436-F451 HydrophobicContact CD2-CD1 4.14Å; L436-F451 HydrophobicContact CD2-CE1 3.73Å; L436-F451 HydrophobicContact CD2-CZ 4.47Å; L436-F451 HydrophobicContact CG-CE1 4.3Å; D447-F451 VanDerWaalsContact O-CB 3.31Å; D447-F451 WeakPolarHBondContact O-CB 3.24Å; D447-F451 PolarHBondContact O-N 3.43Å; L448-F451 WeakPolarHBondContact O-CB 3.39Å; L448-F451 PolarHBondContact O-N 2.96Å; D449-F451 VanDerWaalsContact C-N 3.29Å; D449-F451 PolarHBondContact O-N 3.26Å; F451-E454 PolarHBondContact O-N 2.97Å; F451-I455 HydrophobicContact CD2-CD1 4.47Å; F451-I455 HydrophobicContact CE1-CD1 3.77Å; F451-I455 HydrophobicContact CE2-CD1 3.69Å; F451-I455 HydrophobicContact CE2-CG1 4.23Å; F451-I455 HydrophobicContact CZ-CD1 3.31Å; F451-I455 HydrophobicContact CZ-CG1 4.29Å; F451-I455 PolarHBondContact O-N 3.22Å; F451-I455 VanDerWaalsContact O-N 3.12Å
452V98.3Very high95.7Very high1 Ų140.6 Ų40.61%0.00621%0.214CC..Hα-helixtrans-62.1-50.4177.1172.70000109.5V360 K363 I364 T367 Y370 L448 D449 F450 E454 I455 A456V360-V452 HydrophobicContact CG2-CG2 4.13Å; K363-V452 HydrophobicContact CG-CB 4.48Å; K363-V452 HydrophobicContact CG-CG1 4.4Å; K363-V452 HydrophobicContact CG-CG2 4.06Å; I364-V452 HydrophobicContact CG1-CG2 4.1Å; T367-V452 HydrophobicContact CG2-CG1 4.12Å; Y370-V452 HydrophobicContact CE1-CG1 4.45Å; Y370-V452 HydrophobicContact CE2-CG1 4.16Å; Y370-V452 PolarHBondContact OH-O 2.97Å; L448-V452 WeakPolarHBondContact O-CG2 3.25Å; L448-V452 PolarHBondContact O-N 3.05Å; D449-V452 PolarHBondContact O-N 3.26Å; F450-V452 PolarHBondContact O-N 3.4Å; V452-E454 VanDerWaalsContact C-N 3.29Å; V452-E454 PolarHBondContact O-N 3.44Å; V452-I455 PolarHBondContact O-N 2.94Å; V452-A456 PolarHBondContact O-N 3.46Å
453D97.5Very high95.8Very high93 Ų9341.1 Ų41.150%0.49721%0.212SC..Hα-helixtrans-63.1-36.4-178.4-65.6-17.7000112.2D449 F450 A456 R457D449-D453 PolarHBondContact O-N 2.63Å; F450-D453 PolarHBondContact O-N 3.49Å; D453-A456 PolarHBondContact O-N 3.36Å; D453-R457 WeakPolarHBondContact O-CB 3.27Å; D453-R457 PolarHBondContact O-N 3.36Å
454E97.6Very high95.8Very high9 Ų943.2 Ų43.24%0.04222%0.223CC..Hα-helixtrans-68.4-39.7179.6-176.465.9171.700112.1T419 T420 F450 F451 V452 A456 R457 L458T419-E454 WeakPolarHBondContact CB-OE1 3.35Å; T419-E454 PolarHBondContact OG1-OE1 3.28Å; T420-E454 HydrophobicContact CG2-CG 4.01Å; F450-E454 HydrophobicContact CD1-CB 4.39Å; F450-E454 HydrophobicContact CE1-CB 4.05Å; F450-E454 HydrophobicContact CE1-CG 4.16Å; F450-E454 HydrophobicContact CZ-CB 4.34Å; F450-E454 HydrophobicContact CZ-CG 4.35Å; F450-E454 WeakPolarHBondContact O-CB 3.26Å; F450-E454 PolarHBondContact O-N 3.24Å; F451-E454 PolarHBondContact O-N 2.97Å; V452-E454 VanDerWaalsContact C-N 3.29Å; V452-E454 PolarHBondContact O-N 3.44Å; E454-A456 VanDerWaalsContact C-N 3.3Å; E454-A456 PolarHBondContact O-N 2.99Å; E454-R457 VanDerWaalsContact CD-NH2 3.34Å; E454-R457 PolarHBondContact O-N 2.98Å; E454-R457 IonicContact OE1-CZ 3.01Å; E454-R457 IonicContact OE1-NE 2.75Å; E454-R457 IonicContact OE1-NH2 2.62Å; E454-R457 PolarHBondContact OE1-NH2 2.83Å; E454-R457 IonicContact OE2-CZ 2.76Å; E454-R457 IonicContact OE2-NE 2.74Å; E454-R457 PolarHBondContact OE2-NE 3.49Å; E454-R457 IonicContact OE2-NH2 3.08Å; E454-R457 PolarHBondContact OE2-NH2 3.06Å; E454-L458 HydrophobicContact CG-CD1 3.97Å; E454-L458 HydrophobicContact CG-CG 4.33Å; E454-L458 WeakPolarHBondContact O-CB 3.4Å; E454-L458 WeakPolarHBondContact O-CG 3.48Å; E454-L458 PolarHBondContact O-N 3.16Å
455I97.9Very high95.6Very high0 Ų043 Ų430%022%0.219CC..Hα-helixtrans-59.3-44.7172.2-74.4-177000110.4Y370 F384 Y386 I410 M414 V422 F434 F451 V452 L458 G459Y370-I455 HydrophobicContact CE1-CB 4.35Å; Y370-I455 HydrophobicContact CE1-CG2 3.86Å; Y370-I455 WeakPolarHBondContact OH-CB 2.99Å; Y370-I455 WeakPolarHBondContact OH-CG2 3.46Å; F384-I455 HydrophobicContact CE2-CD1 3.75Å; F384-I455 HydrophobicContact CZ-CD1 3.67Å; Y386-I455 HydrophobicContact CD1-CG2 4.44Å; Y386-I455 HydrophobicContact CD2-CG2 3.97Å; Y386-I455 HydrophobicContact CG-CG2 3.79Å; I410-I455 HydrophobicContact CD1-CG2 4.32Å; M414-I455 HydrophobicContact CE-CG1 4Å; V422-I455 HydrophobicContact CG1-CD1 4.48Å; F434-I455 HydrophobicContact CD2-CD1 4.36Å; F434-I455 HydrophobicContact CE2-CD1 4.48Å; F434-I455 HydrophobicContact CE2-CG2 4.39Å; F451-I455 HydrophobicContact CD2-CD1 4.47Å; F451-I455 HydrophobicContact CE1-CD1 3.77Å; F451-I455 HydrophobicContact CE2-CD1 3.69Å; F451-I455 HydrophobicContact CE2-CG1 4.23Å; F451-I455 HydrophobicContact CZ-CD1 3.31Å; F451-I455 HydrophobicContact CZ-CG1 4.29Å; F451-I455 PolarHBondContact O-N 3.22Å; F451-I455 VanDerWaalsContact O-N 3.12Å; V452-I455 PolarHBondContact O-N 2.94Å; I455-L458 PolarHBondContact O-N 2.92Å; I455-G459 PolarHBondContact O-N 3.43Å
456A96.5Very high95.5Very high28 Ų2842.8 Ų42.823%0.23122%0.216CC..Hα-helixtrans-63-45.9179.900000111.5Y370 Y386 V452 D453 E454 G459 E460Y370-A456 PolarHBondContact OH-N 3.11Å; Y370-A456 VanDerWaalsContact OH-N 3.16Å; Y386-A456 HydrophobicContact CE2-CB 4Å; Y386-A456 PolarHBondContact OH-O 2.95Å; V452-A456 PolarHBondContact O-N 3.46Å; D453-A456 PolarHBondContact O-N 3.36Å; E454-A456 VanDerWaalsContact C-N 3.3Å; E454-A456 PolarHBondContact O-N 2.99Å; A456-G459 PolarHBondContact O-N 2.82Å; A456-E460 PolarHBondContact O-N 3.05Å
457R96.7Very high95.3Very high135 Ų13537.9 Ų37.951%0.50919%0.194SC..Hα-helixtrans-60.1-47.6178-169.8-169.169.178.8-2.3112.2D453 E454 G459D453-R457 WeakPolarHBondContact O-CB 3.27Å; D453-R457 PolarHBondContact O-N 3.36Å; E454-R457 VanDerWaalsContact CD-NH2 3.34Å; E454-R457 PolarHBondContact O-N 2.98Å; E454-R457 IonicContact OE1-CZ 3.01Å; E454-R457 IonicContact OE1-NE 2.75Å; E454-R457 IonicContact OE1-NH2 2.62Å; E454-R457 PolarHBondContact OE1-NH2 2.83Å; E454-R457 IonicContact OE2-CZ 2.76Å; E454-R457 IonicContact OE2-NE 2.74Å; E454-R457 PolarHBondContact OE2-NE 3.49Å; E454-R457 IonicContact OE2-NH2 3.08Å; E454-R457 PolarHBondContact OE2-NH2 3.06Å; R457-G459 VanDerWaalsContact C-N 3.29Å; R457-G459 PolarHBondContact O-N 2.69Å
458L96.5Very high95.1Very high8 Ų840 Ų404%0.04220%0.204CC..Hα-helixtrans-67.8-32.3179.4-67.2176.1000112.2I410 K413 M414 E454 I455I410-L458 HydrophobicContact CG2-CB 4.14Å; I410-L458 HydrophobicContact CG2-CD1 4.44Å; K413-L458 HydrophobicContact CB-CD2 3.87Å; K413-L458 PolarHBondContact NZ-O 3.34Å; M414-L458 HydrophobicContact CB-CD1 3.69Å; M414-L458 HydrophobicContact CE-CD1 4.29Å; M414-L458 HydrophobicContact CG-CD1 4.34Å; E454-L458 HydrophobicContact CG-CD1 3.97Å; E454-L458 HydrophobicContact CG-CG 4.33Å; E454-L458 WeakPolarHBondContact O-CB 3.4Å; E454-L458 WeakPolarHBondContact O-CG 3.48Å; E454-L458 PolarHBondContact O-N 3.16Å; I455-L458 PolarHBondContact O-N 2.92Å
459G95.2Very high94.9Very high0 Ų042.9 Ų42.90%022%0.219CC..Hα-helixtrans-83.3-16.4-18000000115.4I455 A456 R457 S461 I462I455-G459 PolarHBondContact O-N 3.43Å; A456-G459 PolarHBondContact O-N 2.82Å; R457-G459 VanDerWaalsContact C-N 3.29Å; R457-G459 PolarHBondContact O-N 2.69Å; G459-S461 VanDerWaalsContact C-N 3.29Å; G459-S461 PolarHBondContact O-N 3.36Å; G459-I462 PolarHBondContact O-N 3.22Å; G459-I462 VanDerWaalsContact O-N 3.16Å
460E88.6Confident94.6Very high116 Ų11643.5 Ų43.554%0.54222%0.221SC..THydrogen-bonded Turntrans-63-32.8-175.3-178160.1-133.300113.6K389 A456 I462K389-E460 IonicContact NZ-OE1 3.34Å; K389-E460 PolarHBondContact NZ-OE1 2.86Å; A456-E460 PolarHBondContact O-N 3.05Å; E460-I462 VanDerWaalsContact C-N 3.32Å
461S81.9Confident94.3Very high82 Ų8242.3 Ų42.357%0.57322%0.219SC*.THydrogen-bonded Turntrans-85-1.3179.745.20000114.3K413 G459K413-S461 PolarHBondContact NZ-OG 3.14Å; G459-S461 VanDerWaalsContact C-N 3.29Å; G459-S461 PolarHBondContact O-N 3.36Å
462I86.7Confident93.9Very high35 Ų3546.1 Ų46.118%0.17924%0.238CC..  trans-88.50174.5-56.9174.6000107.3P388 K390 V406 K409 I410 G459 E460P388-I462 VanDerWaalsContact CB-OXT 3.27Å; P388-I462 WeakPolarHBondContact CB-OXT 3.47Å; P388-I462 HydrophobicContact CG-CB 4.43Å; P388-I462 HydrophobicContact CG-CG2 4.43Å; K390-I462 PolarHBondContact NZ-O 3.1Å; V406-I462 HydrophobicContact CG2-CG2 4.5Å; K409-I462 HydrophobicContact CB-CD1 3.58Å; K409-I462 HydrophobicContact CB-CG1 4.41Å; K409-I462 HydrophobicContact CD-CD1 4.42Å; K409-I462 HydrophobicContact CD-CG2 4.11Å; I410-I462 HydrophobicContact CD1-CD1 4.33Å; I410-I462 HydrophobicContact CG1-CD1 3.45Å; I410-I462 VanDerWaalsContact CG1-CD1 3.45Å; G459-I462 PolarHBondContact O-N 3.22Å; G459-I462 VanDerWaalsContact O-N 3.16Å; E460-I462 VanDerWaalsContact C-N 3.32Å

Retrieved 462 of 462 residues in 643.7 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).