A0A3Q0KKI8_SCHMA Loading...

Putative helicase

AlphaFold DB , UniProt , Accession A0A3Q0KKI8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,105 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
1M71.2Confident76.3Confident60 Ų6064.5 Ų64.530%0.29633%0.33SS..  0-51.20-71-55.2-74.700110.8H3 L4 I5 F217 Y220 F221 I237M1-H3 VanDerWaalsContact C-N 3.31Å; M1-H3 PolarHBondContact O-N 2.92Å; M1-L4 WeakPolarHBondContact O-CA 3.48Å; M1-L4 WeakPolarHBondContact O-CB 3.13Å; M1-L4 PolarHBondContact O-N 2.87Å; M1-I5 PolarHBondContact O-N 3.13Å; M1-F217 HydrophobicContact CE-CD2 4.02Å; M1-F217 HydrophobicContact CE-CE2 4.49Å; M1-Y220 HydrophobicContact CB-CD2 4.3Å; M1-Y220 HydrophobicContact CB-CE2 4.16Å; M1-Y220 HydrophobicContact CE-CD1 3.9Å; M1-Y220 HydrophobicContact CE-CE1 4.36Å; M1-Y220 HydrophobicContact CE-CG 4.2Å; M1-Y220 HydrophobicContact CG-CD1 4.4Å; M1-Y220 HydrophobicContact CG-CD2 3.84Å; M1-Y220 HydrophobicContact CG-CE2 4.22Å; M1-Y220 HydrophobicContact CG-CG 3.94Å; M1-F221 HydrophobicContact CE-CE2 3.84Å; M1-F221 HydrophobicContact CE-CZ 4.15Å; M1-I237 HydrophobicContact CE-CD1 4.05Å
2D75.1Confident75.4Confident109 Ų10962.7 Ų62.758%0.58333%0.332SS*.Hα-helixtrans-53.1-40.7-179.3-55.42000115L4 I5 K6D2-L4 VanDerWaalsContact C-N 3.32Å; D2-L4 PolarHBondContact O-N 3.49Å; D2-I5 PolarHBondContact O-N 3.43Å; D2-K6 WeakPolarHBondContact O-CB 3.35Å; D2-K6 WeakPolarHBondContact O-CG 3.2Å; D2-K6 PolarHBondContact O-N 3.09Å
3H78.6Confident74.8Confident151 Ų15166.5 Ų66.570%0.69935%0.353SS*.Hα-helixtrans-62.8-41.4174.9-173-64000111.5M1 S7M1-H3 VanDerWaalsContact C-N 3.31Å; M1-H3 PolarHBondContact O-N 2.92Å; H3-S7 PolarHBondContact CE1-OG 3.39Å; H3-S7 PolarHBondContact ND1-OG 3.38Å; H3-S7 WeakPolarHBondContact O-CB 3.4Å; H3-S7 PolarHBondContact O-N 3.26Å; H3-S7 PolarHBondContact O-OG 3.4Å
4L78.7Confident74.1Confident21 Ų2169 Ų6911%0.1138%0.375CS..Hα-helixtrans-65.1-45.2177.5-176.5147.1000110M1 D2 K6 S7 C8 F209 I237M1-L4 WeakPolarHBondContact O-CA 3.48Å; M1-L4 WeakPolarHBondContact O-CB 3.13Å; M1-L4 PolarHBondContact O-N 2.87Å; D2-L4 VanDerWaalsContact C-N 3.32Å; D2-L4 PolarHBondContact O-N 3.49Å; L4-K6 PolarHBondContact O-N 2.86Å; L4-S7 PolarHBondContact O-N 3.49Å; L4-C8 WeakPolarHBondContact O-CB 3.39Å; L4-C8 PolarHBondContact O-N 3.18Å; L4-C8 PolarHBondContact O-SG 2.95Å; L4-F209 HydrophobicContact CD1-CD1 4.22Å; L4-F209 HydrophobicContact CD1-CE1 4.16Å; L4-F209 HydrophobicContact CD2-CE1 4.3Å; L4-I237 HydrophobicContact CD2-CB 4.45Å; L4-I237 HydrophobicContact CD2-CD1 3.68Å; L4-I237 HydrophobicContact CD2-CG1 3.7Å; L4-I237 HydrophobicContact CD2-CG2 3.91Å
5I76Confident73.9Confident13 Ų1370.8 Ų70.87%0.06739%0.389CS..Hα-helixtrans-58.4-51.1177.1-63.7166.6000110.9M1 D2 S7 C8 E9 D233 K236 I237M1-I5 PolarHBondContact O-N 3.13Å; D2-I5 PolarHBondContact O-N 3.43Å; I5-S7 VanDerWaalsContact C-N 3.34Å; I5-S7 PolarHBondContact O-N 3.36Å; I5-C8 PolarHBondContact O-N 2.97Å; I5-C8 VanDerWaalsContact O-N 3.17Å; I5-E9 HydrophobicContact CG2-CG 4.4Å; I5-E9 WeakPolarHBondContact O-CG 3.33Å; I5-E9 PolarHBondContact O-N 2.95Å; I5-D233 HydrophobicContact CD1-CB 3.99Å; I5-K236 HydrophobicContact CG2-CB 4.42Å; I5-K236 HydrophobicContact CG2-CD 4.34Å; I5-I237 HydrophobicContact CG1-CD1 3.89Å; I5-I237 HydrophobicContact CG1-CG1 3.93Å
6K79.9Confident73.9Confident147 Ų14772.4 Ų72.464%0.63939%0.388SS*.Hα-helixtrans-61.6-40.3178.6-73.4179179.8179.30112.6D2 L4 S10D2-K6 WeakPolarHBondContact O-CB 3.35Å; D2-K6 WeakPolarHBondContact O-CG 3.2Å; D2-K6 PolarHBondContact O-N 3.09Å; L4-K6 PolarHBondContact O-N 2.86Å; K6-S10 PolarHBondContact O-N 2.93Å
7S77.8Confident74.1Confident29 Ų2972.6 Ų72.620%0.20340%0.397CS..Hα-helixtrans-62-45.4174.5-66.60000111.1H3 L4 I5 S10H3-S7 PolarHBondContact CE1-OG 3.39Å; H3-S7 PolarHBondContact ND1-OG 3.38Å; H3-S7 WeakPolarHBondContact O-CB 3.4Å; H3-S7 PolarHBondContact O-N 3.26Å; H3-S7 PolarHBondContact O-OG 3.4Å; L4-S7 PolarHBondContact O-N 3.49Å; I5-S7 VanDerWaalsContact C-N 3.34Å; I5-S7 PolarHBondContact O-N 3.36Å; S7-S10 PolarHBondContact O-N 3.17Å; S7-S10 PolarHBondContact O-OG 2.86Å
8C77.3Confident74.6Confident0 Ų068.7 Ų68.70%038%0.375CS..Hα-helixtrans-65.4-40.4178-64.70000112.9L4 I5 S10 L11 P240L4-C8 WeakPolarHBondContact O-CB 3.39Å; L4-C8 PolarHBondContact O-N 3.18Å; L4-C8 PolarHBondContact O-SG 2.95Å; I5-C8 PolarHBondContact O-N 2.97Å; I5-C8 VanDerWaalsContact O-N 3.17Å; C8-S10 VanDerWaalsContact C-N 3.28Å; C8-S10 PolarHBondContact O-N 3.11Å; C8-L11 WeakPolarHBondContact O-CB 3.46Å; C8-L11 PolarHBondContact O-N 2.71Å; C8-L11 VanDerWaalsContact O-N 3.14Å; C8-P240 HydrophobicContact CB-CG 4.09Å
9E72.9Confident75.2Confident82 Ų8269.9 Ų69.938%0.38338%0.381SS..Hα-helixtrans-61.6-36.9177.6-76.7-179.2160.800112.2I5 L11 A12 K236I5-E9 HydrophobicContact CG2-CG 4.4Å; I5-E9 WeakPolarHBondContact O-CG 3.33Å; I5-E9 PolarHBondContact O-N 2.95Å; E9-L11 PolarHBondContact O-N 3.29Å; E9-A12 WeakPolarHBondContact O-CB 3.43Å; E9-A12 PolarHBondContact O-N 3.24Å; E9-K236 HydrophobicContact CG-CB 4.34Å; E9-K236 VanDerWaalsContact OE1-CD 3.23Å; E9-K236 WeakPolarHBondContact OE1-CD 3.43Å; E9-K236 WeakPolarHBondContact OE1-CE 3.46Å; E9-K236 IonicContact OE1-NZ 3.86Å
10S75.7Confident75.5Confident80 Ų8070.1 Ų70.156%0.55938%0.378SS*.Hα-helixtrans-64.2-26.1177.875.30000113.6K6 S7 C8K6-S10 PolarHBondContact O-N 2.93Å; S7-S10 PolarHBondContact O-N 3.17Å; S7-S10 PolarHBondContact O-OG 2.86Å; C8-S10 VanDerWaalsContact C-N 3.28Å; C8-S10 PolarHBondContact O-N 3.11Å
11L76.1Confident75.9Confident17 Ų1773.5 Ų73.59%0.08939%0.392CS..Hα-helixtrans-78.5-17.5178.5-62.8172000112.7C8 E9 N13 Q50 Y208 P240 F241C8-L11 WeakPolarHBondContact O-CB 3.46Å; C8-L11 PolarHBondContact O-N 2.71Å; C8-L11 VanDerWaalsContact O-N 3.14Å; E9-L11 PolarHBondContact O-N 3.29Å; L11-N13 PolarHBondContact O-N 2.88Å; L11-N13 VanDerWaalsContact O-N 3.11Å; L11-Q50 HydrophobicContact CD2-CB 4.07Å; L11-Q50 HydrophobicContact CD2-CG 4.38Å; L11-Q50 PolarHBondContact O-NE2 3.11Å; L11-Q50 PolarHBondContact O-OE1 3.09Å; L11-Y208 HydrophobicContact CD1-CE1 4.28Å; L11-Y208 HydrophobicContact CD1-CE2 4.31Å; L11-P240 HydrophobicContact CB-CB 3.85Å; L11-F241 HydrophobicContact CD1-CZ 4.01Å
12A65.5Low76.5Confident43 Ų4374.8 Ų74.836%0.35540%0.396SS..THydrogen-bonded Turntrans-69.3-12.9-173.500000114.4E9E9-A12 WeakPolarHBondContact O-CB 3.43Å; E9-A12 PolarHBondContact O-N 3.24Å
13N67.1Low77Confident113 Ų11369.6 Ų69.660%0.60437%0.368SS*.SBendtrans-86.8121.3-177.4-66.8-36.7000111.4L11 T15 Q50L11-N13 PolarHBondContact O-N 2.88Å; L11-N13 VanDerWaalsContact O-N 3.11Å; N13-T15 PolarHBondContact O-N 2.92Å; N13-Q50 PolarHBondContact O-NE2 3.05Å; N13-Q50 VanDerWaalsContact O-NE2 3.13Å
14P66.1Low77.2Confident101 Ų10165.8 Ų65.866%0.65636%0.355SS*.  trans-66.7131.7179.327.2-33.1000110.6
15T70.1Confident77.4Confident96 Ų9672 Ų7259%0.58938%0.383SS*.  trans-102.5-24.3179.554.60000112.3N13 N46 S49N13-T15 PolarHBondContact O-N 2.92Å; T15-N46 PolarHBondContact N-OD1 3.13Å; T15-N46 PolarHBondContact OG1-OD1 3.33Å; T15-S49 PolarHBondContact OG1-OG 3.35Å
16Y73.9Confident77.8Confident97 Ų9773.2 Ų73.238%0.3839%0.388SS..  trans-140.9147.9-173.8-156.7-87.7000111.9I45 N46 W78Y16-I45 HydrophobicContact CD1-CG2 3.75Å; Y16-I45 HydrophobicContact CG-CG2 4.33Å; Y16-N46 PolarHBondContact N-OD1 3.05Å; Y16-N46 PolarHBondContact O-ND2 2.82Å; Y16-N46 PolarHBondContact O-OD1 3.44Å; Y16-N46 VanDerWaalsContact O-OD1 3.05Å; Y16-W78 AromaticContact CD1-CH2 3.91Å; Y16-W78 HydrophobicContact CD1-CH2 3.91Å; Y16-W78 HydrophobicContact CD1-CZ3 4.47Å; Y16-W78 AromaticContact CE1-CH2 3.3Å; Y16-W78 HydrophobicContact CE1-CH2 3.3Å; Y16-W78 AromaticContact CE1-CZ2 3.51Å; Y16-W78 HydrophobicContact CE1-CZ2 3.51Å; Y16-W78 HydrophobicContact CE1-CZ3 4.11Å; Y16-W78 AromaticContact CZ-CZ2 3.96Å
17S78.1Confident77.9Confident76 Ų7666.7 Ų66.753%0.53136%0.363SS..  trans-143.5135.5174.860.50000111N42S17-N42 WeakPolarHBondContact CA-OD1 3.44Å
18I83Confident78.2Confident1 Ų165.9 Ų65.91%0.00536%0.356CS..  trans-104.1145.2170.1-160.4169.8000110.2K22 L23 F26 L38 I41 N42 I45 A74 W78I18-K22 HydrophobicContact CD1-CB 4.1Å; I18-K22 HydrophobicContact CG1-CB 3.82Å; I18-K22 HydrophobicContact CG1-CD 4.21Å; I18-L23 HydrophobicContact CD1-CD2 3.71Å; I18-L23 HydrophobicContact CD1-CG 3.96Å; I18-L23 HydrophobicContact CG1-CG 4.43Å; I18-L23 HydrophobicContact CG2-CD1 4.44Å; I18-L23 HydrophobicContact CG2-CG 4.47Å; I18-F26 HydrophobicContact CD1-CD2 4.12Å; I18-F26 HydrophobicContact CD1-CE2 3.69Å; I18-L38 HydrophobicContact CG2-CD1 4.41Å; I18-I41 HydrophobicContact CG2-CG2 4.14Å; I18-N42 WeakPolarHBondContact CG2-OD1 3.16Å; I18-N42 PolarHBondContact N-OD1 3.17Å; I18-N42 PolarHBondContact O-ND2 3.44Å; I18-N42 PolarHBondContact O-OD1 3.01Å; I18-I45 HydrophobicContact CB-CD1 4.08Å; I18-I45 HydrophobicContact CG2-CD1 3.54Å; I18-A74 HydrophobicContact CD1-CB 3.95Å; I18-W78 HydrophobicContact CB-CH2 4.39Å; I18-W78 HydrophobicContact CD1-CH2 4.04Å; I18-W78 HydrophobicContact CD1-CZ2 3.76Å; I18-W78 HydrophobicContact CG1-CZ2 4.34Å
19N85.4Confident78.5Confident93 Ų9368.9 Ų68.950%0.49738%0.375SS..  trans-98.4156.7173.5-66.3-11.6000110.1E21 K22 L23N19-E21 VanDerWaalsContact C-N 3.3Å; N19-E21 PolarHBondContact O-N 3.23Å; N19-K22 PolarHBondContact O-N 3.38Å; N19-L23 PolarHBondContact O-N 3.27Å
20F82.4Confident78.4Confident72 Ų7269 Ų6932%0.31640%0.398SS..Hα-helixtrans-56-41.7178.9178.7-106.2000113.1K22 L23 V24 L28 I33F20-K22 VanDerWaalsContact C-N 3.3Å; F20-K22 PolarHBondContact O-N 3.41Å; F20-L23 WeakPolarHBondContact O-CB 3.48Å; F20-L23 PolarHBondContact O-N 3.31Å; F20-V24 HydrophobicContact CD1-CG2 4.18Å; F20-V24 HydrophobicContact CE1-CG2 3.69Å; F20-V24 HydrophobicContact CE2-CG2 4.31Å; F20-V24 HydrophobicContact CZ-CG2 3.77Å; F20-V24 PolarHBondContact O-N 2.99Å; F20-V24 VanDerWaalsContact O-N 3.11Å; F20-L28 HydrophobicContact CD2-CD2 4.29Å; F20-L28 HydrophobicContact CE2-CD2 3.58Å; F20-L28 HydrophobicContact CZ-CD2 4.21Å; F20-I33 HydrophobicContact CD2-CB 3.88Å; F20-I33 HydrophobicContact CD2-CD1 4.07Å; F20-I33 HydrophobicContact CD2-CG1 4.18Å; F20-I33 HydrophobicContact CE2-CB 3.88Å; F20-I33 HydrophobicContact CE2-CD1 4.1Å; F20-I33 HydrophobicContact CE2-CG1 3.91Å
21E83Confident78.6Confident143 Ų14367.8 Ų67.867%0.66839%0.385SS*.Hα-helixtrans-56.5-41.9179.4-65.6169175.400112.3N19 L23 V24 E25N19-E21 VanDerWaalsContact C-N 3.3Å; N19-E21 PolarHBondContact O-N 3.23Å; E21-L23 VanDerWaalsContact C-N 3.31Å; E21-L23 PolarHBondContact O-N 2.92Å; E21-V24 WeakPolarHBondContact O-CB 3.37Å; E21-V24 PolarHBondContact O-N 3.47Å; E21-V24 VanDerWaalsContact O-N 3.17Å; E21-E25 WeakPolarHBondContact O-CG 3.45Å; E21-E25 PolarHBondContact O-N 3.32Å
22K84.2Confident79Confident87 Ų8772.9 Ų72.938%0.37842%0.416SS..Hα-helixtrans-64.8-34.5176.4-71.4-174176.4179.20112.5I18 N19 F20 V24 E25 F26I18-K22 HydrophobicContact CD1-CB 4.1Å; I18-K22 HydrophobicContact CG1-CB 3.82Å; I18-K22 HydrophobicContact CG1-CD 4.21Å; N19-K22 PolarHBondContact O-N 3.38Å; F20-K22 VanDerWaalsContact C-N 3.3Å; F20-K22 PolarHBondContact O-N 3.41Å; K22-V24 VanDerWaalsContact C-N 3.34Å; K22-E25 PolarHBondContact O-N 3.36Å; K22-F26 WeakPolarHBondContact O-CB 3.23Å; K22-F26 WeakPolarHBondContact O-CD1 3.45Å; K22-F26 WeakPolarHBondContact O-CD2 3.26Å; K22-F26 WeakPolarHBondContact O-CG 3.27Å; K22-F26 PolarHBondContact O-N 3.17Å
23L84.3Confident80Confident0 Ų071.5 Ų71.50%040%0.403CS..Hα-helixtrans-67.2-38.1175.5-69.9171.3000111.2I18 N19 F20 E21 F26 G27 L28 I33 L38 I41 A74I18-L23 HydrophobicContact CD1-CD2 3.71Å; I18-L23 HydrophobicContact CD1-CG 3.96Å; I18-L23 HydrophobicContact CG1-CG 4.43Å; I18-L23 HydrophobicContact CG2-CD1 4.44Å; I18-L23 HydrophobicContact CG2-CG 4.47Å; N19-L23 PolarHBondContact O-N 3.27Å; F20-L23 WeakPolarHBondContact O-CB 3.48Å; F20-L23 PolarHBondContact O-N 3.31Å; E21-L23 VanDerWaalsContact C-N 3.31Å; E21-L23 PolarHBondContact O-N 2.92Å; L23-F26 PolarHBondContact O-N 3.43Å; L23-G27 PolarHBondContact O-N 3.23Å; L23-L28 HydrophobicContact CB-CB 4.39Å; L23-L28 HydrophobicContact CB-CD2 4.17Å; L23-L28 WeakPolarHBondContact O-CB 3.31Å; L23-L28 PolarHBondContact O-N 3.39Å; L23-I33 HydrophobicContact CD1-CD1 3.62Å; L23-L38 HydrophobicContact CD1-CD1 4.14Å; L23-I41 HydrophobicContact CD1-CD1 4.24Å; L23-A74 HydrophobicContact CD2-CB 4.08Å
24V84.1Confident80.9Confident70 Ų7070.4 Ų70.442%0.42439%0.39SS..Hα-helixtrans-63.9-45.2173.5179.30000110.7F20 E21 K22 F26 G27 L28F20-V24 HydrophobicContact CD1-CG2 4.18Å; F20-V24 HydrophobicContact CE1-CG2 3.69Å; F20-V24 HydrophobicContact CE2-CG2 4.31Å; F20-V24 HydrophobicContact CZ-CG2 3.77Å; F20-V24 PolarHBondContact O-N 2.99Å; F20-V24 VanDerWaalsContact O-N 3.11Å; E21-V24 WeakPolarHBondContact O-CB 3.37Å; E21-V24 PolarHBondContact O-N 3.47Å; E21-V24 VanDerWaalsContact O-N 3.17Å; K22-V24 VanDerWaalsContact C-N 3.34Å; V24-F26 PolarHBondContact O-N 2.9Å; V24-G27 PolarHBondContact O-N 2.83Å; V24-L28 HydrophobicContact CG2-CD2 4.32Å
25E83.2Confident81.9Confident151 Ų15172.8 Ų72.871%0.70639%0.393SS*.Hα-helixtrans-58.1-35.6173.6-70.8175.2173.100112.4E21 K22 G27E21-E25 WeakPolarHBondContact O-CG 3.45Å; E21-E25 PolarHBondContact O-N 3.32Å; K22-E25 PolarHBondContact O-N 3.36Å; E25-G27 PolarHBondContact O-N 3.26Å
26F83.8Confident82.8Confident39 Ų3968.9 Ų68.917%0.17137%0.367CS..THydrogen-bonded Turntrans-73.8-7.1176.7-69.2-11.4000114.3I18 K22 L23 V24 L73 N77 W78I18-F26 HydrophobicContact CD1-CD2 4.12Å; I18-F26 HydrophobicContact CD1-CE2 3.69Å; K22-F26 WeakPolarHBondContact O-CB 3.23Å; K22-F26 WeakPolarHBondContact O-CD1 3.45Å; K22-F26 WeakPolarHBondContact O-CD2 3.26Å; K22-F26 WeakPolarHBondContact O-CG 3.27Å; K22-F26 PolarHBondContact O-N 3.17Å; L23-F26 PolarHBondContact O-N 3.43Å; V24-F26 PolarHBondContact O-N 2.9Å; F26-L73 HydrophobicContact CB-CD2 4.26Å; F26-L73 HydrophobicContact CB-CG 4.09Å; F26-L73 WeakPolarHBondContact O-CD1 3.48Å; F26-N77 WeakPolarHBondContact CB-ND2 3.18Å; F26-N77 HydrophobicContact CD1-CB 4.06Å; F26-N77 HydrophobicContact CD2-CB 4.15Å; F26-N77 HydrophobicContact CE1-CB 4.23Å; F26-N77 HydrophobicContact CE2-CB 4.3Å; F26-N77 HydrophobicContact CG-CB 4.03Å; F26-N77 HydrophobicContact CZ-CB 4.35Å; F26-W78 HydrophobicContact CE2-CZ2 4.22Å; F26-W78 AromaticContact CE2-NE1 3.71Å; F26-W78 AromaticContact CZ-NE1 3.48Å
27G81Confident83.7Confident11 Ų1164.8 Ų64.811%0.11335%0.351CS..THydrogen-bonded Turntrans105.624.7175.600000115L23 V24 E25 T29L23-G27 PolarHBondContact O-N 3.23Å; V24-G27 PolarHBondContact O-N 2.83Å; E25-G27 PolarHBondContact O-N 3.26Å; G27-T29 PolarHBondContact O-N 3.44Å
28L85.3Confident84.3Confident11 Ų1162.8 Ų62.86%0.05834%0.335CS..  trans-65.9123.1169.3178.774.7000109.9F20 L23 V24 I33 L73 I103F20-L28 HydrophobicContact CD2-CD2 4.29Å; F20-L28 HydrophobicContact CE2-CD2 3.58Å; F20-L28 HydrophobicContact CZ-CD2 4.21Å; L23-L28 HydrophobicContact CB-CB 4.39Å; L23-L28 HydrophobicContact CB-CD2 4.17Å; L23-L28 WeakPolarHBondContact O-CB 3.31Å; L23-L28 PolarHBondContact O-N 3.39Å; V24-L28 HydrophobicContact CG2-CD2 4.32Å; L28-I33 HydrophobicContact CD1-CD1 4.31Å; L28-I33 HydrophobicContact CD2-CD1 3.49Å; L28-I33 VanDerWaalsContact CD2-CD1 3.49Å; L28-I33 HydrophobicContact CD2-CG1 3.96Å; L28-L73 HydrophobicContact CB-CD2 3.95Å; L28-I103 HydrophobicContact CD1-CG2 3.47Å; L28-I103 VanDerWaalsContact CD1-CG2 3.47Å
29T82.5Confident84.6Confident63 Ų6367.6 Ų67.639%0.38736%0.357SS..  trans-124.7150.3179.354.60000112.7G27 I31 N102 I103 P105G27-T29 PolarHBondContact O-N 3.44Å; T29-I31 VanDerWaalsContact C-N 3.27Å; T29-I31 PolarHBondContact O-N 2.88Å; T29-I31 VanDerWaalsContact O-N 3.1Å; T29-N102 VanDerWaalsContact O-O 3.05Å; T29-N102 PolarHBondContact OG1-O 3.06Å; T29-I103 PolarHBondContact N-O 3.16Å; T29-P105 HydrophobicContact CG2-CG 4.23Å; T29-P105 WeakPolarHBondContact OG1-CD 3.43Å; T29-P105 WeakPolarHBondContact OG1-CG 3.27Å
30G72.5Confident84.9Confident84 Ų8463.1 Ų63.187%0.86633%0.333SS*.SBendtrans75.6-5.6164.200000117.4
31I79.6Confident85.4Confident56 Ų5659.7 Ų59.729%0.28732%0.318SS..  trans-136.9139-178-55.9-165.7000112T29 I103T29-I31 VanDerWaalsContact C-N 3.27Å; T29-I31 PolarHBondContact O-N 2.88Å; T29-I31 VanDerWaalsContact O-N 3.1Å; I31-I103 HydrophobicContact CD1-CD1 3.59Å; I31-I103 HydrophobicContact CD1-CG1 3.38Å; I31-I103 HydrophobicContact CG1-CG1 4.1Å
32V84.5Confident85.9Confident123 Ų12354.1 Ų54.175%0.74529%0.293SS*.PPolyproline II helixtrans-93.6119166.7-178.30000108.9
33I86.6Confident86.2Confident15 Ų1551.9 Ų51.98%0.07728%0.282CS..PPolyproline II helixtrans-78.3129.2-179.9-62.9173.3000108.7F20 L23 L28 Q37 L38 I41 C70F20-I33 HydrophobicContact CD2-CB 3.88Å; F20-I33 HydrophobicContact CD2-CD1 4.07Å; F20-I33 HydrophobicContact CD2-CG1 4.18Å; F20-I33 HydrophobicContact CE2-CB 3.88Å; F20-I33 HydrophobicContact CE2-CD1 4.1Å; F20-I33 HydrophobicContact CE2-CG1 3.91Å; L23-I33 HydrophobicContact CD1-CD1 3.62Å; L28-I33 HydrophobicContact CD1-CD1 4.31Å; L28-I33 HydrophobicContact CD2-CD1 3.49Å; L28-I33 VanDerWaalsContact CD2-CD1 3.49Å; L28-I33 HydrophobicContact CD2-CG1 3.96Å; I33-Q37 HydrophobicContact CG2-CB 3.56Å; I33-L38 HydrophobicContact CG2-CB 4.22Å; I33-I41 HydrophobicContact CD1-CD1 4Å; I33-I41 HydrophobicContact CG2-CD1 3.99Å; I33-C70 HydrophobicContact CD1-CB 4.27Å; I33-C70 WeakPolarHBondContact CD1-SG 3.39Å
34R86Confident86.7Confident90 Ų9051.9 Ų51.934%0.3428%0.282SS..PPolyproline II helixtrans-75.2156.2175.9-67-178.7173.9-104.31.1111.1Y36 Q37 L38 D253R34-Y36 VanDerWaalsContact C-N 3.35Å; R34-Y36 HydrophobicContact CB-CD1 3.63Å; R34-Y36 HydrophobicContact CB-CE1 3.48Å; R34-Y36 VanDerWaalsContact CB-CE1 3.48Å; R34-Y36 HydrophobicContact CG-CE1 4.15Å; R34-Y36 PolarHBondContact O-N 3.02Å; R34-Q37 HydrophobicContact CB-CG 4.24Å; R34-Q37 WeakPolarHBondContact O-CA 3.45Å; R34-Q37 WeakPolarHBondContact O-CB 3.2Å; R34-Q37 PolarHBondContact O-N 3.21Å; R34-L38 PolarHBondContact O-N 3.4Å; R34-D253 IonicContact CZ-OD2 2.82Å; R34-D253 IonicContact NH1-OD2 3.21Å; R34-D253 PolarHBondContact NH1-OD2 3.49Å; R34-D253 IonicContact NH2-OD2 2.62Å
35E87.2Confident87.1Confident151 Ų15148.8 Ų48.871%0.70626%0.263SS*.Hα-helixtrans-54.9-46.8-175.2-170.7-174.9164.800113.1Q37 L38 Q39E35-Q37 VanDerWaalsContact C-N 3.28Å; E35-Q37 PolarHBondContact O-N 3.41Å; E35-L38 WeakPolarHBondContact O-CB 3.43Å; E35-L38 PolarHBondContact O-N 3.14Å; E35-L38 VanDerWaalsContact O-N 3.15Å; E35-Q39 WeakPolarHBondContact O-CG 3.27Å; E35-Q39 PolarHBondContact O-N 2.84Å
36Y89.4Confident87.4Confident13 Ų1342.3 Ų42.35%0.05123%0.234CC..Hα-helixtrans-61.3-37.7175.578.1-86.6000111.7R34 L38 Q39 G40 L62 R245 V250 L251 I465R34-Y36 VanDerWaalsContact C-N 3.35Å; R34-Y36 HydrophobicContact CB-CD1 3.63Å; R34-Y36 HydrophobicContact CB-CE1 3.48Å; R34-Y36 VanDerWaalsContact CB-CE1 3.48Å; R34-Y36 HydrophobicContact CG-CE1 4.15Å; R34-Y36 PolarHBondContact O-N 3.02Å; Y36-L38 VanDerWaalsContact C-N 3.27Å; Y36-L38 PolarHBondContact O-N 3.46Å; Y36-Q39 WeakPolarHBondContact O-CB 3.29Å; Y36-Q39 PolarHBondContact O-N 3.3Å; Y36-Q39 VanDerWaalsContact O-N 3.16Å; Y36-G40 PolarHBondContact O-N 2.87Å; Y36-L62 HydrophobicContact CE2-CB 3.91Å; Y36-L62 HydrophobicContact CE2-CD2 4.08Å; Y36-L62 HydrophobicContact CE2-CG 4.45Å; Y36-L62 VanDerWaalsContact CE2-O 3.27Å; Y36-L62 WeakPolarHBondContact CE2-O 3.48Å; Y36-L62 PolarHBondContact OH-O 3.37Å; Y36-R245 PolarHBondContact O-NH1 3.24Å; Y36-V250 HydrophobicContact CD1-CB 4.44Å; Y36-V250 HydrophobicContact CD1-CG1 2.96Å; Y36-V250 HydrophobicContact CD2-CG1 3.51Å; Y36-V250 HydrophobicContact CE1-CG1 3.29Å; Y36-V250 HydrophobicContact CE2-CG1 3.85Å; Y36-V250 HydrophobicContact CG-CB 4.38Å; Y36-V250 HydrophobicContact CG-CG1 3.03Å; Y36-L251 HydrophobicContact CE1-CD2 3.89Å; Y36-I465 VanDerWaalsContact OH-CD1 3.26Å; Y36-I465 WeakPolarHBondContact OH-CD1 3.43Å
37Q91.4Very high87.8Confident11 Ų1140.6 Ų40.65%0.05123%0.226CC..Hα-helixtrans-64.2-40178.9-64.1175.2-33.100109.7I33 R34 E35 G40 I41 L62 Q67I33-Q37 HydrophobicContact CG2-CB 3.56Å; R34-Q37 HydrophobicContact CB-CG 4.24Å; R34-Q37 WeakPolarHBondContact O-CA 3.45Å; R34-Q37 WeakPolarHBondContact O-CB 3.2Å; R34-Q37 PolarHBondContact O-N 3.21Å; E35-Q37 VanDerWaalsContact C-N 3.28Å; E35-Q37 PolarHBondContact O-N 3.41Å; Q37-G40 PolarHBondContact O-N 3.33Å; Q37-G40 VanDerWaalsContact O-N 3.13Å; Q37-I41 WeakPolarHBondContact O-CD1 3.46Å; Q37-I41 VanDerWaalsContact O-CG1 3.23Å; Q37-I41 WeakPolarHBondContact O-CG1 3.18Å; Q37-I41 PolarHBondContact O-N 2.88Å; Q37-L62 PolarHBondContact NE2-O 2.91Å; Q37-Q67 HydrophobicContact CB-CG 3.87Å; Q37-Q67 HydrophobicContact CG-CG 4.09Å
38L91Very high88.2Confident35 Ų3540.8 Ų40.818%0.18322%0.224CC..Hα-helixtrans-61.5-43172.9-172.864.5000112I18 L23 I33 R34 E35 Y36 G40 I41 N42I18-L38 HydrophobicContact CG2-CD1 4.41Å; L23-L38 HydrophobicContact CD1-CD1 4.14Å; I33-L38 HydrophobicContact CG2-CB 4.22Å; R34-L38 PolarHBondContact O-N 3.4Å; E35-L38 WeakPolarHBondContact O-CB 3.43Å; E35-L38 PolarHBondContact O-N 3.14Å; E35-L38 VanDerWaalsContact O-N 3.15Å; Y36-L38 VanDerWaalsContact C-N 3.27Å; Y36-L38 PolarHBondContact O-N 3.46Å; L38-G40 VanDerWaalsContact C-N 3.28Å; L38-G40 PolarHBondContact O-N 2.99Å; L38-I41 PolarHBondContact O-N 3.26Å; L38-N42 WeakPolarHBondContact O-CB 3.24Å; L38-N42 PolarHBondContact O-N 3.22Å; L38-N42 PolarHBondContact O-ND2 3.47Å
39Q89.7Confident88.4Confident101 Ų10143.2 Ų43.247%0.47224%0.243SC..Hα-helixtrans-60.3-38.4172.7-66.1172.7400112E35 Y36 N42 W43E35-Q39 WeakPolarHBondContact O-CG 3.27Å; E35-Q39 PolarHBondContact O-N 2.84Å; Y36-Q39 WeakPolarHBondContact O-CB 3.29Å; Y36-Q39 PolarHBondContact O-N 3.3Å; Y36-Q39 VanDerWaalsContact O-N 3.16Å; Q39-N42 PolarHBondContact O-N 2.82Å; Q39-W43 WeakPolarHBondContact O-CB 3.49Å; Q39-W43 PolarHBondContact O-N 3.31Å
40G91.8Very high88.6Confident0 Ų042.4 Ų42.40%023%0.234CC..Hα-helixtrans-68.7-4017700000113Y36 Q37 L38 W43 L44Y36-G40 PolarHBondContact O-N 2.87Å; Q37-G40 PolarHBondContact O-N 3.33Å; Q37-G40 VanDerWaalsContact O-N 3.13Å; L38-G40 VanDerWaalsContact C-N 3.28Å; L38-G40 PolarHBondContact O-N 2.99Å; G40-W43 WeakPolarHBondContact O-CB 3.22Å; G40-W43 PolarHBondContact O-N 2.97Å; G40-L44 WeakPolarHBondContact O-CG 2.95Å; G40-L44 PolarHBondContact O-N 3.26Å
41I92.9Very high89.3Confident0 Ų040.7 Ų40.70%022%0.217CC..Hα-helixtrans-62.3-46.1173-66.5157.6000110.1I18 L23 I33 Q37 L38 W43 L44 I45 Q67 C70I18-I41 HydrophobicContact CG2-CG2 4.14Å; L23-I41 HydrophobicContact CD1-CD1 4.24Å; I33-I41 HydrophobicContact CD1-CD1 4Å; I33-I41 HydrophobicContact CG2-CD1 3.99Å; Q37-I41 WeakPolarHBondContact O-CD1 3.46Å; Q37-I41 VanDerWaalsContact O-CG1 3.23Å; Q37-I41 WeakPolarHBondContact O-CG1 3.18Å; Q37-I41 PolarHBondContact O-N 2.88Å; L38-I41 PolarHBondContact O-N 3.26Å; I41-W43 VanDerWaalsContact C-N 3.29Å; I41-W43 PolarHBondContact O-N 3.38Å; I41-L44 PolarHBondContact O-N 3.14Å; I41-I45 HydrophobicContact CG2-CD1 3.79Å; I41-I45 VanDerWaalsContact O-CG1 3.32Å; I41-I45 WeakPolarHBondContact O-CG1 3.33Å; I41-I45 PolarHBondContact O-N 2.99Å; I41-Q67 HydrophobicContact CG1-CB 4.2Å; I41-Q67 WeakPolarHBondContact CG1-O 3.32Å; I41-C70 HydrophobicContact CD1-CB 3.43Å; I41-C70 VanDerWaalsContact CD1-CB 3.43Å; I41-C70 HydrophobicContact CG1-CB 3.91Å
42N92.4Very high89.7Confident26 Ų2638.2 Ų38.214%0.13920%0.204CC..Hα-helixtrans-60.4-39.2175.6-77.9-33.4000112.2S17 I18 L38 Q39 I45 N46S17-N42 WeakPolarHBondContact CA-OD1 3.44Å; I18-N42 WeakPolarHBondContact CG2-OD1 3.16Å; I18-N42 PolarHBondContact N-OD1 3.17Å; I18-N42 PolarHBondContact O-ND2 3.44Å; I18-N42 PolarHBondContact O-OD1 3.01Å; L38-N42 WeakPolarHBondContact O-CB 3.24Å; L38-N42 PolarHBondContact O-N 3.22Å; L38-N42 PolarHBondContact O-ND2 3.47Å; Q39-N42 PolarHBondContact O-N 2.82Å; N42-I45 PolarHBondContact O-N 2.96Å; N42-N46 WeakPolarHBondContact O-CB 2.9Å; N42-N46 PolarHBondContact O-N 2.8Å; N42-N46 PolarHBondContact O-ND2 3.43Å
43W91.9Very high90.1Very high39 Ų3932.4 Ų32.415%0.14817%0.169CC..Hα-helixtrans-63.4-44.3174.5-179.682.7000112.3Q39 G40 I41 I45 N46 C47 L55 P240 L243Q39-W43 WeakPolarHBondContact O-CB 3.49Å; Q39-W43 PolarHBondContact O-N 3.31Å; G40-W43 WeakPolarHBondContact O-CB 3.22Å; G40-W43 PolarHBondContact O-N 2.97Å; I41-W43 VanDerWaalsContact C-N 3.29Å; I41-W43 PolarHBondContact O-N 3.38Å; W43-I45 VanDerWaalsContact C-N 3.34Å; W43-I45 PolarHBondContact O-N 2.83Å; W43-N46 PolarHBondContact O-N 3.13Å; W43-C47 PolarHBondContact O-N 2.97Å; W43-C47 PolarHBondContact O-SG 3.1Å; W43-L55 WeakPolarHBondContact CH2-O 3.27Å; W43-P240 WeakPolarHBondContact CZ2-O 3.17Å; W43-L243 HydrophobicContact CB-CD2 3.97Å; W43-L243 HydrophobicContact CD2-CB 3.74Å; W43-L243 HydrophobicContact CD2-CD2 3.92Å; W43-L243 HydrophobicContact CD2-CG 4.39Å; W43-L243 HydrophobicContact CE3-CB 3.81Å; W43-L243 HydrophobicContact CE3-CD2 3.9Å; W43-L243 HydrophobicContact CG-CB 4.35Å; W43-L243 HydrophobicContact CG-CD2 3.95Å; W43-L243 HydrophobicContact CH2-CB 3.99Å; W43-L243 HydrophobicContact CZ2-CB 3.94Å; W43-L243 HydrophobicContact CZ3-CB 3.94Å
44L93.6Very high90.3Very high1 Ų131.7 Ų31.71%0.00517%0.166CC..Hα-helixtrans-61.5-40.9175-69171.4000112.3G40 I41 N46 C47 D48 V68 F71 F183G40-L44 WeakPolarHBondContact O-CG 2.95Å; G40-L44 PolarHBondContact O-N 3.26Å; I41-L44 PolarHBondContact O-N 3.14Å; L44-N46 VanDerWaalsContact C-N 3.34Å; L44-C47 WeakPolarHBondContact O-CB 3.33Å; L44-C47 PolarHBondContact O-N 3.28Å; L44-D48 PolarHBondContact O-N 3.45Å; L44-D48 VanDerWaalsContact O-N 3.08Å; L44-V68 HydrophobicContact CD1-CG2 4.32Å; L44-F71 HydrophobicContact CB-CB 4.28Å; L44-F71 HydrophobicContact CB-CD2 3.6Å; L44-F71 HydrophobicContact CB-CE2 4.09Å; L44-F71 HydrophobicContact CB-CG 3.96Å; L44-F71 HydrophobicContact CD1-CB 3.87Å; L44-F71 HydrophobicContact CD1-CG 4.16Å; L44-F183 HydrophobicContact CD2-CD1 3.47Å; L44-F183 VanDerWaalsContact CD2-CD1 3.47Å; L44-F183 HydrophobicContact CD2-CE1 3.51Å; L44-F183 HydrophobicContact CD2-CG 4.15Å; L44-F183 HydrophobicContact CD2-CZ 4.21Å
45I92.2Very high90.6Very high4 Ų427.4 Ų27.42%0.02115%0.15CC..Hα-helixtrans-64.4-39.7176.2-68163.1000111.1Y16 I18 I41 N42 W43 D48 S49 F71 A74 W78Y16-I45 HydrophobicContact CD1-CG2 3.75Å; Y16-I45 HydrophobicContact CG-CG2 4.33Å; I18-I45 HydrophobicContact CB-CD1 4.08Å; I18-I45 HydrophobicContact CG2-CD1 3.54Å; I41-I45 HydrophobicContact CG2-CD1 3.79Å; I41-I45 VanDerWaalsContact O-CG1 3.32Å; I41-I45 WeakPolarHBondContact O-CG1 3.33Å; I41-I45 PolarHBondContact O-N 2.99Å; N42-I45 PolarHBondContact O-N 2.96Å; W43-I45 VanDerWaalsContact C-N 3.34Å; W43-I45 PolarHBondContact O-N 2.83Å; I45-D48 WeakPolarHBondContact O-CB 3.46Å; I45-D48 PolarHBondContact O-N 2.92Å; I45-S49 PolarHBondContact O-N 2.67Å; I45-F71 HydrophobicContact CG1-CD2 4Å; I45-F71 HydrophobicContact CG1-CE2 4.45Å; I45-A74 HydrophobicContact CD1-CB 4.25Å; I45-W78 HydrophobicContact CD1-CH2 3.92Å; I45-W78 HydrophobicContact CD1-CZ3 4.13Å; I45-W78 HydrophobicContact CG1-CH2 4.43Å; I45-W78 HydrophobicContact CG1-CZ3 4.15Å; I45-W78 HydrophobicContact CG2-CH2 4.05Å; I45-W78 HydrophobicContact CG2-CZ3 3.71Å
46N90.8Very high90.8Very high16 Ų1620.3 Ų20.39%0.08612%0.116CC..Hα-helixtrans-66.2-37.5176-77.5-49.9000112.4T15 Y16 N42 W43 L44 D48 S49 Q50T15-N46 PolarHBondContact N-OD1 3.13Å; T15-N46 PolarHBondContact OG1-OD1 3.33Å; Y16-N46 PolarHBondContact N-OD1 3.05Å; Y16-N46 PolarHBondContact O-ND2 2.82Å; Y16-N46 PolarHBondContact O-OD1 3.44Å; Y16-N46 VanDerWaalsContact O-OD1 3.05Å; N42-N46 WeakPolarHBondContact O-CB 2.9Å; N42-N46 PolarHBondContact O-N 2.8Å; N42-N46 PolarHBondContact O-ND2 3.43Å; W43-N46 PolarHBondContact O-N 3.13Å; L44-N46 VanDerWaalsContact C-N 3.34Å; N46-D48 VanDerWaalsContact C-N 3.33Å; N46-D48 PolarHBondContact O-N 3.11Å; N46-S49 PolarHBondContact O-N 3.22Å; N46-S49 PolarHBondContact O-OG 3.13Å; N46-Q50 WeakPolarHBondContact O-CB 3.04Å; N46-Q50 VanDerWaalsContact O-CG 3.27Å; N46-Q50 WeakPolarHBondContact O-CG 3.34Å; N46-Q50 PolarHBondContact O-N 3.06Å
47C91.2Very high90.7Very high2 Ų219.7 Ų19.71%0.01411%0.114CC..Hα-helixtrans-60.5-44.6172.3-62.70000110.9W43 L44 Q50 G51 H52 F183W43-C47 PolarHBondContact O-N 2.97Å; W43-C47 PolarHBondContact O-SG 3.1Å; L44-C47 WeakPolarHBondContact O-CB 3.33Å; L44-C47 PolarHBondContact O-N 3.28Å; C47-Q50 CarbonylContact O-C 3.38Å; C47-Q50 PolarHBondContact O-N 3.31Å; C47-G51 PolarHBondContact O-N 3.36Å; C47-H52 CarbonylContact C-O 3.6Å; C47-H52 VanDerWaalsContact C-O 3.25Å; C47-H52 WeakPolarHBondContact CB-O 3.35Å; C47-H52 PolarHBondContact O-N 2.98Å; C47-F183 HydrophobicContact CB-CE1 3.81Å; C47-F183 HydrophobicContact CB-CZ 4.01Å
48D90.3Very high90.5Very high15 Ų1519.1 Ų19.18%0.0811%0.111CC..Hα-helixtrans-61.6-45176.1176.858000112.7L44 I45 N46 Q50 G51 F71 K79 Y154 I181L44-D48 PolarHBondContact O-N 3.45Å; L44-D48 VanDerWaalsContact O-N 3.08Å; I45-D48 WeakPolarHBondContact O-CB 3.46Å; I45-D48 PolarHBondContact O-N 2.92Å; N46-D48 VanDerWaalsContact C-N 3.33Å; N46-D48 PolarHBondContact O-N 3.11Å; D48-Q50 VanDerWaalsContact C-N 3.25Å; D48-Q50 PolarHBondContact O-N 2.98Å; D48-G51 PolarHBondContact O-N 3.36Å; D48-G51 VanDerWaalsContact O-N 3.09Å; D48-F71 HydrophobicContact CB-CE2 4.13Å; D48-F71 HydrophobicContact CB-CZ 4.34Å; D48-K79 VanDerWaalsContact CG-NZ 3.31Å; D48-K79 IonicContact OD1-NZ 2.81Å; D48-K79 PolarHBondContact OD1-NZ 2.59Å; D48-K79 VanDerWaalsContact OD1-NZ 3.08Å; D48-K79 IonicContact OD2-NZ 3.08Å; D48-K79 PolarHBondContact OD2-NZ 3.02Å; D48-Y154 HydrophobicContact CB-CE1 4.47Å; D48-Y154 VanDerWaalsContact CG-OH 3.22Å; D48-Y154 WeakPolarHBondContact OD1-CE1 3.41Å; D48-Y154 VanDerWaalsContact OD1-CZ 3.26Å; D48-Y154 PolarHBondContact OD1-OH 3.47Å; D48-Y154 PolarHBondContact OD2-OH 3.46Å; D48-I181 VanDerWaalsContact OD1-CD1 3.29Å; D48-I181 WeakPolarHBondContact OD1-CD1 3.45Å
49S88Confident90Very high63 Ų6320 Ų2044%0.44111%0.114SC..Hα-helixtrans-65.3-31.2-179.672.10000112.4T15 I45 N46T15-S49 PolarHBondContact OG1-OG 3.35Å; I45-S49 PolarHBondContact O-N 2.67Å; N46-S49 PolarHBondContact O-N 3.22Å; N46-S49 PolarHBondContact O-OG 3.13Å
50Q86.9Confident89.5Confident45 Ų4516.5 Ų16.521%0.2110%0.098CC..THydrogen-bonded Turntrans-87-3.4175.9-64.8177.10.300113.5L11 N13 N46 C47 D48 H52L11-Q50 HydrophobicContact CD2-CB 4.07Å; L11-Q50 HydrophobicContact CD2-CG 4.38Å; L11-Q50 PolarHBondContact O-NE2 3.11Å; L11-Q50 PolarHBondContact O-OE1 3.09Å; N13-Q50 PolarHBondContact O-NE2 3.05Å; N13-Q50 VanDerWaalsContact O-NE2 3.13Å; N46-Q50 WeakPolarHBondContact O-CB 3.04Å; N46-Q50 VanDerWaalsContact O-CG 3.27Å; N46-Q50 WeakPolarHBondContact O-CG 3.34Å; N46-Q50 PolarHBondContact O-N 3.06Å; C47-Q50 CarbonylContact O-C 3.38Å; C47-Q50 PolarHBondContact O-N 3.31Å; D48-Q50 VanDerWaalsContact C-N 3.25Å; D48-Q50 PolarHBondContact O-N 2.98Å; Q50-H52 PolarHBondContact OE1-NE2 3.04Å
51G87.6Confident88.8Confident49 Ų4917.7 Ų17.751%0.50511%0.111SC..THydrogen-bonded Turntrans73.825.5174.300000114.7C47 D48C47-G51 PolarHBondContact O-N 3.36Å; D48-G51 PolarHBondContact O-N 3.36Å; D48-G51 VanDerWaalsContact O-N 3.09Å
52H89.4Confident88.4Confident4 Ų417.7 Ų17.72%0.01911%0.111CC..  trans-127.1158.8175.171.781.3000111.7C47 Q50 I181 Y208 P240 F241C47-H52 CarbonylContact C-O 3.6Å; C47-H52 VanDerWaalsContact C-O 3.25Å; C47-H52 WeakPolarHBondContact CB-O 3.35Å; C47-H52 PolarHBondContact O-N 2.98Å; Q50-H52 PolarHBondContact OE1-NE2 3.04Å; H52-I181 WeakPolarHBondContact O-CG2 3.16Å; H52-Y208 HydrophobicContact CB-CE2 4.41Å; H52-P240 PolarHBondContact CE1-O 2.94Å; H52-F241 HydrophobicContact CB-CE1 4.04Å; H52-F241 AromaticContact CG-CE1 3.83Å; H52-F241 AromaticContact ND1-CD1 3.61Å; H52-F241 AromaticContact ND1-CE1 3.6Å
53G91.6Very high88.2Confident1 Ų117.5 Ų17.51%0.0112%0.115CC..  trans-85.7-175.4175.500000112.9R182 I204G53-R182 WeakPolarHBondContact CA-O 3.4Å; G53-I204 WeakPolarHBondContact O-CG2 3.39Å
54G91.9Very high88.1Confident0 Ų016.4 Ų16.40%011%0.111CC..EExtended strand (participates in β ladder)trans-156.1158-18000000115.4R182 F183 I184 I204 F241G54-R182 PolarHBondContact N-O 3.03Å; G54-F183 VanDerWaalsContact N-CD1 3.3Å; G54-F183 VanDerWaalsContact O-CA 3.28Å; G54-F183 WeakPolarHBondContact O-CA 3.49Å; G54-I184 PolarHBondContact O-N 2.75Å; G54-I204 VanDerWaalsContact N-CG2 3.25Å; G54-F241 CarbonylContact C-O 3.51Å; G54-F241 WeakPolarHBondContact CA-O 3.18Å
55L91.6Very high88Confident0 Ų017.4 Ų17.40%012%0.117CC..EExtended strand (participates in β ladder)trans-96.2107.5172.5-67.2167.4000109.3W43 C57 I184 L200 L201 I204 F241 L242 L243W43-L55 WeakPolarHBondContact CH2-O 3.27Å; L55-C57 VanDerWaalsContact CB-SG 3.59Å; L55-C57 PolarHBondContact O-N 2.78Å; L55-I184 HydrophobicContact CD2-CB 3.87Å; L55-I184 HydrophobicContact CD2-CD1 4.28Å; L55-I184 HydrophobicContact CD2-CG2 4.1Å; L55-L200 HydrophobicContact CD2-CB 4.32Å; L55-L201 HydrophobicContact CD1-CD2 3.97Å; L55-I204 HydrophobicContact CB-CD1 4.26Å; L55-I204 HydrophobicContact CD1-CD1 4.31Å; L55-I204 HydrophobicContact CD2-CD1 3.2Å; L55-I204 HydrophobicContact CG-CD1 3.28Å; L55-F241 WeakPolarHBondContact CB-O 3.41Å; L55-F241 PolarHBondContact N-O 3.37Å; L55-L242 HydrophobicContact CB-CB 4.28Å; L55-L242 HydrophobicContact CB-CG 4.21Å; L55-L242 HydrophobicContact CD1-CB 4.39Å; L55-L242 HydrophobicContact CD1-CD1 4.03Å; L55-L242 HydrophobicContact CD1-CG 4.43Å; L55-L243 PolarHBondContact O-N 2.94Å
56L92.1Very high88Confident1 Ų117.7 Ų17.71%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-88.696169.6-173.463.4000109.2K64 Q67 V68 I184 L185 T186 L243L56-K64 HydrophobicContact CD2-CB 3.97Å; L56-K64 HydrophobicContact CD2-CD 4.36Å; L56-K64 HydrophobicContact CD2-CG 3.9Å; L56-K64 HydrophobicContact CG-CD 4.17Å; L56-K64 HydrophobicContact CG-CG 4.1Å; L56-K64 WeakPolarHBondContact O-CD 3.12Å; L56-Q67 HydrophobicContact CD2-CB 4.34Å; L56-V68 HydrophobicContact CD2-CG2 4.33Å; L56-I184 PolarHBondContact N-O 3.1Å; L56-L185 HydrophobicContact CB-CD2 3.79Å; L56-L185 HydrophobicContact CD2-CD2 4.05Å; L56-L185 HydrophobicContact CG-CD2 4.49Å; L56-T186 PolarHBondContact O-N 3.48Å; L56-T186 VanDerWaalsContact O-N 3.16Å; L56-L243 HydrophobicContact CD1-CB 4.33Å; L56-L243 HydrophobicContact CD1-CD2 3.87Å; L56-L243 HydrophobicContact CD1-CG 4.29Å
57C87.4Confident88.1Confident0 Ų016.9 Ų16.90%012%0.115CC..  trans-103.822.3-170.9-63.30000114.1L55 T186 P189 L242 L243 R244L55-C57 VanDerWaalsContact CB-SG 3.59Å; L55-C57 PolarHBondContact O-N 2.78Å; C57-T186 CarbonylContact C-O 3.33Å; C57-T186 VanDerWaalsContact CA-O 3.29Å; C57-T186 WeakPolarHBondContact CA-O 3.31Å; C57-P189 HydrophobicContact CB-CB 4.21Å; C57-P189 HydrophobicContact CB-CG 3.8Å; C57-P189 WeakPolarHBondContact SG-CB 3.34Å; C57-L242 HydrophobicContact CB-CD2 4.28Å; C57-L242 HydrophobicContact CB-CG 4.32Å; C57-L243 CarbonylContact C-O 3.25Å; C57-L243 WeakPolarHBondContact CA-O 3.2Å; C57-L243 WeakPolarHBondContact CB-O 3.43Å; C57-L243 PolarHBondContact N-O 2.95Å; C57-R244 HydrophobicContact CB-CB 3.99Å; C57-R244 HydrophobicContact CB-CG 4.48Å
58D86.8Confident88.3Confident0 Ų016.9 Ų16.90%012%0.115CC..PPolyproline II helixtrans-54.4141.7173.6-79.9-11.8000112L62 K64 Q67 R245D58-L62 HydrophobicContact CB-CB 4.05Å; D58-L62 HydrophobicContact CB-CD1 3.92Å; D58-K64 HydrophobicContact CB-CD 4.13Å; D58-K64 HydrophobicContact CB-CG 3.85Å; D58-K64 PolarHBondContact O-NZ 3.05Å; D58-Q67 PolarHBondContact OD2-NE2 3.43Å; D58-R245 WeakPolarHBondContact OD1-CB 3.34Å; D58-R245 IonicContact OD1-CZ 3.38Å; D58-R245 PolarHBondContact OD1-N 3.31Å; D58-R245 IonicContact OD1-NE 2.66Å; D58-R245 PolarHBondContact OD1-NE 2.82Å; D58-R245 IonicContact OD1-NH2 3.46Å; D58-R245 PolarHBondContact OD1-NH2 3.47Å; D58-R245 IonicContact OD2-CZ 3.85Å; D58-R245 IonicContact OD2-NE 3.47Å; D58-R245 PolarHBondContact OD2-NE 2.81Å; D58-R245 IonicContact OD2-NH2 3.9Å; D58-R245 PolarHBondContact OD2-NH2 2.93Å
59E79.2Confident88.5Confident52 Ų5216.2 Ų16.224%0.24311%0.111CC..PPolyproline II helixtrans-50.8144.4172.8-162.9-171.4146.300111.5G61 L62 R245 I246 K247E59-G61 PolarHBondContact O-N 2.99Å; E59-L62 HydrophobicContact CB-CD1 4.01Å; E59-L62 HydrophobicContact CB-CG 4.37Å; E59-L62 WeakPolarHBondContact O-CB 3.29Å; E59-L62 PolarHBondContact O-N 2.95Å; E59-R245 PolarHBondContact N-O 2.64Å; E59-I246 VanDerWaalsContact OE2-CG2 3.27Å; E59-I246 WeakPolarHBondContact OE2-CG2 3.26Å; E59-K247 HydrophobicContact CB-CG 4.45Å; E59-K247 HydrophobicContact CG-CG 4.4Å; E59-K247 VanDerWaalsContact OE1-CD 3.3Å; E59-K247 WeakPolarHBondContact OE1-CD 3.35Å; E59-K247 WeakPolarHBondContact OE1-CE 3.47Å; E59-K247 IonicContact OE1-NZ 2.7Å; E59-K247 WeakPolarHBondContact OE2-CG 3.31Å; E59-K247 PolarHBondContact OE2-N 3.33Å
60M79.8Confident88.7Confident28 Ų2813.2 Ų13.214%0.1389%0.09CC..THydrogen-bonded Turntrans-58125.9-179.2-59.2-16866.500111.2K247 Q457 R461M60-K247 WeakPolarHBondContact O-CE 3.4Å; M60-K247 PolarHBondContact O-NZ 3.06Å; M60-Q457 HydrophobicContact CE-CG 3.7Å; M60-Q457 HydrophobicContact SD-CB 3.97Å; M60-Q457 HydrophobicContact SD-CG 3.68Å; M60-R461 VanDerWaalsContact CE-NH2 3.25Å
61G77.5Confident89.1Confident25 Ų2511.1 Ų11.126%0.2588%0.081SC..THydrogen-bonded Turntrans103.7-8.6-177.900000115E59 G63 I465E59-G61 PolarHBondContact O-N 2.99Å; G61-G63 PolarHBondContact O-N 3.48Å; G61-I465 WeakPolarHBondContact O-CD1 3.41Å; G61-I465 VanDerWaalsContact O-CG1 3.25Å; G61-I465 WeakPolarHBondContact O-CG1 3.46Å
62L84.6Confident89.4Confident0 Ų08.8 Ų8.80%06%0.056CC..SBendtrans-75.710.5174.5-70.6-177.2000114.8Y36 Q37 D58 E59 Q67 R245 K247 V250 L251Y36-L62 HydrophobicContact CE2-CB 3.91Å; Y36-L62 HydrophobicContact CE2-CD2 4.08Å; Y36-L62 HydrophobicContact CE2-CG 4.45Å; Y36-L62 VanDerWaalsContact CE2-O 3.27Å; Y36-L62 WeakPolarHBondContact CE2-O 3.48Å; Y36-L62 PolarHBondContact OH-O 3.37Å; Q37-L62 PolarHBondContact NE2-O 2.91Å; D58-L62 HydrophobicContact CB-CB 4.05Å; D58-L62 HydrophobicContact CB-CD1 3.92Å; E59-L62 HydrophobicContact CB-CD1 4.01Å; E59-L62 HydrophobicContact CB-CG 4.37Å; E59-L62 WeakPolarHBondContact O-CB 3.29Å; E59-L62 PolarHBondContact O-N 2.95Å; L62-Q67 PolarHBondContact O-NE2 2.94Å; L62-R245 HydrophobicContact CD1-CB 4.09Å; L62-R245 VanDerWaalsContact CD1-O 3.29Å; L62-R245 WeakPolarHBondContact CD1-O 3.23Å; L62-K247 HydrophobicContact CD2-CG 3.95Å; L62-K247 HydrophobicContact CG-CG 4.24Å; L62-V250 HydrophobicContact CD2-CB 4.44Å; L62-V250 HydrophobicContact CD2-CG1 4.15Å; L62-L251 HydrophobicContact CD2-CD1 3.63Å; L62-L251 HydrophobicContact CD2-CG 3.88Å
63G87Confident89.5Confident22 Ų228.7 Ų8.723%0.2276%0.056CC..  trans72.140.5175.800000115G61 T65 C66 Q67G61-G63 PolarHBondContact O-N 3.48Å; G63-T65 VanDerWaalsContact C-N 3.26Å; G63-T65 PolarHBondContact O-N 2.86Å; G63-C66 WeakPolarHBondContact O-CB 3.31Å; G63-C66 PolarHBondContact O-N 2.94Å; G63-C66 VanDerWaalsContact O-N 3.11Å; G63-Q67 PolarHBondContact O-N 3.22Å
64K91.1Very high89.5Confident17 Ų178.6 Ų8.67%0.0746%0.056CC..Hα-helixtrans-51.3-44.2174-70-168.9-72.4-77.40112.7L56 D58 C66 Q67 V68 L185L56-K64 HydrophobicContact CD2-CB 3.97Å; L56-K64 HydrophobicContact CD2-CD 4.36Å; L56-K64 HydrophobicContact CD2-CG 3.9Å; L56-K64 HydrophobicContact CG-CD 4.17Å; L56-K64 HydrophobicContact CG-CG 4.1Å; L56-K64 WeakPolarHBondContact O-CD 3.12Å; D58-K64 HydrophobicContact CB-CD 4.13Å; D58-K64 HydrophobicContact CB-CG 3.85Å; D58-K64 PolarHBondContact O-NZ 3.05Å; K64-C66 PolarHBondContact O-N 2.77Å; K64-Q67 PolarHBondContact O-N 3.1Å; K64-V68 WeakPolarHBondContact O-CG2 3.5Å; K64-V68 PolarHBondContact O-N 3.08Å; K64-L185 HydrophobicContact CD-CB 4.34Å
65T91.6Very high89.5Confident22 Ų228.6 Ų8.614%0.1356%0.056CC..Hα-helixtrans-55.9-49.1176-53.90000111.6G63 Q67 V68 I69 W96 E99G63-T65 VanDerWaalsContact C-N 3.26Å; G63-T65 PolarHBondContact O-N 2.86Å; T65-Q67 PolarHBondContact O-N 3.04Å; T65-V68 PolarHBondContact O-N 2.98Å; T65-I69 HydrophobicContact CG2-CD1 3.82Å; T65-I69 VanDerWaalsContact O-CG1 3.28Å; T65-I69 WeakPolarHBondContact O-CG1 3.47Å; T65-I69 PolarHBondContact O-N 2.91Å; T65-W96 HydrophobicContact CG2-CD2 3.82Å; T65-W96 HydrophobicContact CG2-CE3 3.69Å; T65-W96 HydrophobicContact CG2-CH2 3.91Å; T65-W96 HydrophobicContact CG2-CZ2 4.02Å; T65-W96 HydrophobicContact CG2-CZ3 3.74Å; T65-E99 HydrophobicContact CG2-CB 4.08Å; T65-E99 HydrophobicContact CG2-CG 4.2Å
66C91.7Very high89.4Confident9 Ų98.8 Ų8.86%0.0616%0.057CC..Hα-helixtrans-61.1-45.9177.4177.80000111.9G63 K64 V68 I69 C70 I103G63-C66 WeakPolarHBondContact O-CB 3.31Å; G63-C66 PolarHBondContact O-N 2.94Å; G63-C66 VanDerWaalsContact O-N 3.11Å; K64-C66 PolarHBondContact O-N 2.77Å; C66-V68 VanDerWaalsContact C-N 3.29Å; C66-V68 PolarHBondContact O-N 3.31Å; C66-I69 PolarHBondContact O-N 3.35Å; C66-C70 WeakPolarHBondContact O-CB 3.46Å; C66-C70 PolarHBondContact O-N 2.9Å; C66-C70 PolarHBondContact O-SG 3.5Å; C66-I103 HydrophobicContact CB-CD1 3.97Å
67Q93.7Very high89.2Confident0 Ų012.3 Ų12.30%08%0.076CC..Hα-helixtrans-57.3-43.6177-67.3177.747.300111.8Q37 I41 L56 D58 L62 G63 K64 T65 C70 F71Q37-Q67 HydrophobicContact CB-CG 3.87Å; Q37-Q67 HydrophobicContact CG-CG 4.09Å; I41-Q67 HydrophobicContact CG1-CB 4.2Å; I41-Q67 WeakPolarHBondContact CG1-O 3.32Å; L56-Q67 HydrophobicContact CD2-CB 4.34Å; D58-Q67 PolarHBondContact OD2-NE2 3.43Å; L62-Q67 PolarHBondContact O-NE2 2.94Å; G63-Q67 PolarHBondContact O-N 3.22Å; K64-Q67 PolarHBondContact O-N 3.1Å; T65-Q67 PolarHBondContact O-N 3.04Å; Q67-C70 PolarHBondContact O-N 3.35Å; Q67-F71 WeakPolarHBondContact O-CB 3.38Å; Q67-F71 PolarHBondContact O-N 3.34Å
68V94.9Very high89.2Confident2 Ų216.8 Ų16.81%0.0129%0.092CC..Hα-helixtrans-69.6-41.7179173.40000111.9L44 L56 K64 T65 C66 C70 F71 I72 W96 I156 L185L44-V68 HydrophobicContact CD1-CG2 4.32Å; L56-V68 HydrophobicContact CD2-CG2 4.33Å; K64-V68 WeakPolarHBondContact O-CG2 3.5Å; K64-V68 PolarHBondContact O-N 3.08Å; T65-V68 PolarHBondContact O-N 2.98Å; C66-V68 VanDerWaalsContact C-N 3.29Å; C66-V68 PolarHBondContact O-N 3.31Å; V68-C70 VanDerWaalsContact C-N 3.3Å; V68-C70 PolarHBondContact O-N 3.44Å; V68-F71 WeakPolarHBondContact O-CB 3.41Å; V68-F71 PolarHBondContact O-N 2.94Å; V68-F71 VanDerWaalsContact O-N 3.17Å; V68-I72 HydrophobicContact CG1-CD1 4.1Å; V68-I72 HydrophobicContact CG1-CG1 4.38Å; V68-I72 VanDerWaalsContact O-CG1 3.28Å; V68-I72 WeakPolarHBondContact O-CG1 3.41Å; V68-I72 PolarHBondContact O-N 3.27Å; V68-W96 HydrophobicContact CB-CH2 4.15Å; V68-W96 HydrophobicContact CG1-CH2 4.08Å; V68-W96 HydrophobicContact CG1-CZ3 4.36Å; V68-I156 HydrophobicContact CG1-CD1 3.39Å; V68-I156 HydrophobicContact CG1-CG1 3.95Å; V68-I156 HydrophobicContact CG1-CG2 3.93Å; V68-L185 HydrophobicContact CG2-CD1 3.84Å; V68-L185 HydrophobicContact CG2-CD2 3.52Å; V68-L185 HydrophobicContact CG2-CG 4.32Å
69I94.3Very high89.1Confident0 Ų021.1 Ų21.10%011%0.112CC..Hα-helixtrans-62.1-41.2176.8-66.6167.1000110.6T65 C66 F71 I72 L73 W96 E99 L100 I103 A104T65-I69 HydrophobicContact CG2-CD1 3.82Å; T65-I69 VanDerWaalsContact O-CG1 3.28Å; T65-I69 WeakPolarHBondContact O-CG1 3.47Å; T65-I69 PolarHBondContact O-N 2.91Å; C66-I69 PolarHBondContact O-N 3.35Å; I69-F71 VanDerWaalsContact C-N 3.34Å; I69-F71 PolarHBondContact O-N 3.46Å; I69-I72 PolarHBondContact O-N 2.99Å; I69-L73 WeakPolarHBondContact O-CB 3.46Å; I69-L73 PolarHBondContact O-N 2.9Å; I69-W96 HydrophobicContact CD1-CE3 4.41Å; I69-W96 HydrophobicContact CD1-CZ3 4.37Å; I69-W96 HydrophobicContact CG1-CE3 4.46Å; I69-W96 HydrophobicContact CG1-CZ3 4.02Å; I69-E99 HydrophobicContact CD1-CB 3.67Å; I69-L100 HydrophobicContact CD1-CD2 4.13Å; I69-L100 HydrophobicContact CD1-CG 4.08Å; I69-L100 HydrophobicContact CG1-CD2 3.8Å; I69-L100 HydrophobicContact CG1-CG 4.27Å; I69-L100 HydrophobicContact CG2-CD2 4.11Å; I69-I103 HydrophobicContact CB-CG2 4.31Å; I69-I103 HydrophobicContact CD1-CD1 4.03Å; I69-I103 HydrophobicContact CG2-CB 3.88Å; I69-I103 HydrophobicContact CG2-CG2 3.59Å; I69-A104 HydrophobicContact CG2-CB 3.76Å
70C92.8Very high89.1Confident0 Ų022.7 Ų22.70%013%0.128CC..Hα-helixtrans-65.1-37.2175.1-63.50000112.2I33 I41 C66 Q67 V68 L73 A74I33-C70 HydrophobicContact CD1-CB 4.27Å; I33-C70 WeakPolarHBondContact CD1-SG 3.39Å; I41-C70 HydrophobicContact CD1-CB 3.43Å; I41-C70 VanDerWaalsContact CD1-CB 3.43Å; I41-C70 HydrophobicContact CG1-CB 3.91Å; C66-C70 WeakPolarHBondContact O-CB 3.46Å; C66-C70 PolarHBondContact O-N 2.9Å; C66-C70 PolarHBondContact O-SG 3.5Å; Q67-C70 PolarHBondContact O-N 3.35Å; V68-C70 VanDerWaalsContact C-N 3.3Å; V68-C70 PolarHBondContact O-N 3.44Å; C70-L73 WeakPolarHBondContact O-CB 3.44Å; C70-L73 PolarHBondContact O-N 3.31Å; C70-A74 PolarHBondContact O-N 3.42Å
71F93.9Very high89.2Confident1 Ų128.6 Ų28.60%0.00416%0.16CC..Hα-helixtrans-61.7-47.2171.1164.3-101.7000111.9L44 I45 D48 Q67 V68 I69 L73 A74 V75 F84 Y154 F183L44-F71 HydrophobicContact CB-CB 4.28Å; L44-F71 HydrophobicContact CB-CD2 3.6Å; L44-F71 HydrophobicContact CB-CE2 4.09Å; L44-F71 HydrophobicContact CB-CG 3.96Å; L44-F71 HydrophobicContact CD1-CB 3.87Å; L44-F71 HydrophobicContact CD1-CG 4.16Å; I45-F71 HydrophobicContact CG1-CD2 4Å; I45-F71 HydrophobicContact CG1-CE2 4.45Å; D48-F71 HydrophobicContact CB-CE2 4.13Å; D48-F71 HydrophobicContact CB-CZ 4.34Å; Q67-F71 WeakPolarHBondContact O-CB 3.38Å; Q67-F71 PolarHBondContact O-N 3.34Å; V68-F71 WeakPolarHBondContact O-CB 3.41Å; V68-F71 PolarHBondContact O-N 2.94Å; V68-F71 VanDerWaalsContact O-N 3.17Å; I69-F71 VanDerWaalsContact C-N 3.34Å; I69-F71 PolarHBondContact O-N 3.46Å; F71-L73 VanDerWaalsContact C-N 3.27Å; F71-L73 PolarHBondContact O-N 2.81Å; F71-A74 PolarHBondContact O-N 2.92Å; F71-V75 HydrophobicContact CD2-CG2 3.92Å; F71-V75 HydrophobicContact CE1-CG2 4.39Å; F71-V75 HydrophobicContact CE2-CG2 3.47Å; F71-V75 VanDerWaalsContact CE2-CG2 3.47Å; F71-V75 HydrophobicContact CZ-CG2 3.73Å; F71-V75 WeakPolarHBondContact O-CG2 3.29Å; F71-V75 PolarHBondContact O-N 3.48Å; F71-F84 HydrophobicContact CE1-CE1 4.26Å; F71-Y154 HydrophobicContact CE1-CD1 4.28Å; F71-Y154 HydrophobicContact CZ-CD1 4.13Å; F71-Y154 HydrophobicContact CZ-CE1 4.02Å; F71-F183 HydrophobicContact CE1-CD2 4.16Å; F71-F183 AromaticContact CE1-CE2 3.72Å; F71-F183 HydrophobicContact CE1-CE2 3.72Å; F71-F183 HydrophobicContact CE2-CE2 4.47Å; F71-F183 HydrophobicContact CZ-CD2 4.46Å; F71-F183 AromaticContact CZ-CE2 3.58Å; F71-F183 HydrophobicContact CZ-CE2 3.58Å; F71-F183 HydrophobicContact CZ-CZ 4.06Å
72I93.7Very high89.8Confident0 Ų027.7 Ų27.70%015%0.15CC..Hα-helixtrans-58.1-42.6175.8-64.8169.5000110.2V68 I69 S76 F84 I86 I107 V132 I156V68-I72 HydrophobicContact CG1-CD1 4.1Å; V68-I72 HydrophobicContact CG1-CG1 4.38Å; V68-I72 VanDerWaalsContact O-CG1 3.28Å; V68-I72 WeakPolarHBondContact O-CG1 3.41Å; V68-I72 PolarHBondContact O-N 3.27Å; I69-I72 PolarHBondContact O-N 2.99Å; I72-S76 WeakPolarHBondContact O-CB 3.13Å; I72-S76 PolarHBondContact O-N 3.26Å; I72-S76 PolarHBondContact O-OG 2.79Å; I72-F84 HydrophobicContact CB-CD1 4.41Å; I72-F84 HydrophobicContact CB-CE1 4.23Å; I72-F84 HydrophobicContact CB-CZ 4.34Å; I72-F84 HydrophobicContact CD1-CD1 4.39Å; I72-F84 HydrophobicContact CG1-CD1 3.71Å; I72-F84 HydrophobicContact CG1-CE1 3.86Å; I72-F84 HydrophobicContact CG1-CG 4.21Å; I72-F84 HydrophobicContact CG1-CZ 4.46Å; I72-F84 HydrophobicContact CG2-CD1 4.18Å; I72-F84 HydrophobicContact CG2-CD2 3.81Å; I72-F84 HydrophobicContact CG2-CE1 4.15Å; I72-F84 HydrophobicContact CG2-CE2 3.76Å; I72-F84 HydrophobicContact CG2-CG 4.03Å; I72-F84 HydrophobicContact CG2-CZ 3.94Å; I72-I86 HydrophobicContact CD1-CD1 3.89Å; I72-I107 HydrophobicContact CG2-CD1 3.93Å; I72-V132 HydrophobicContact CG2-CG2 3.81Å; I72-I156 HydrophobicContact CD1-CD1 3.72Å; I72-I156 HydrophobicContact CG1-CD1 3.99Å
73L92Very high90.2Very high2 Ų228.6 Ų28.61%0.0116%0.156CC..Hα-helixtrans-61.5-47.2178.2-174.968.9000112.1F26 L28 I69 C70 F71 N77 A104 I107F26-L73 HydrophobicContact CB-CD2 4.26Å; F26-L73 HydrophobicContact CB-CG 4.09Å; F26-L73 WeakPolarHBondContact O-CD1 3.48Å; L28-L73 HydrophobicContact CB-CD2 3.95Å; I69-L73 WeakPolarHBondContact O-CB 3.46Å; I69-L73 PolarHBondContact O-N 2.9Å; C70-L73 WeakPolarHBondContact O-CB 3.44Å; C70-L73 PolarHBondContact O-N 3.31Å; F71-L73 VanDerWaalsContact C-N 3.27Å; F71-L73 PolarHBondContact O-N 2.81Å; L73-N77 PolarHBondContact O-N 2.76Å; L73-N77 PolarHBondContact O-ND2 3.02Å; L73-A104 HydrophobicContact CD1-CB 4.25Å; L73-I107 HydrophobicContact CB-CD1 4.08Å; L73-I107 HydrophobicContact CD1-CD1 3.79Å; L73-I107 HydrophobicContact CD1-CG1 4.01Å
74A91.2Very high90.5Very high0 Ų027.6 Ų27.60%015%0.145CC..Hα-helixtrans-61.8-50.3177.700000111.7I18 L23 I45 C70 F71 S76 N77 W78I18-A74 HydrophobicContact CD1-CB 3.95Å; L23-A74 HydrophobicContact CD2-CB 4.08Å; I45-A74 HydrophobicContact CD1-CB 4.25Å; C70-A74 PolarHBondContact O-N 3.42Å; F71-A74 PolarHBondContact O-N 2.92Å; A74-S76 PolarHBondContact O-N 2.7Å; A74-N77 PolarHBondContact O-N 2.96Å; A74-W78 HydrophobicContact CB-CH2 4.2Å; A74-W78 HydrophobicContact CB-CZ3 4.21Å; A74-W78 PolarHBondContact O-N 3.25Å
75V91.9Very high90.7Very high0 Ų026.8 Ų26.80%014%0.141CC..Hα-helixtrans-65.8-39.9-179174.50000111.7F71 N77 W78 K79 F84 Y154F71-V75 HydrophobicContact CD2-CG2 3.92Å; F71-V75 HydrophobicContact CE1-CG2 4.39Å; F71-V75 HydrophobicContact CE2-CG2 3.47Å; F71-V75 VanDerWaalsContact CE2-CG2 3.47Å; F71-V75 HydrophobicContact CZ-CG2 3.73Å; F71-V75 WeakPolarHBondContact O-CG2 3.29Å; F71-V75 PolarHBondContact O-N 3.48Å; V75-N77 PolarHBondContact O-N 3.32Å; V75-W78 PolarHBondContact O-N 2.52Å; V75-K79 HydrophobicContact CG1-CB 4.45Å; V75-K79 HydrophobicContact CG1-CD 4.2Å; V75-K79 PolarHBondContact O-N 3.08Å; V75-F84 HydrophobicContact CB-CZ 3.94Å; V75-F84 HydrophobicContact CG1-CE1 4.4Å; V75-F84 HydrophobicContact CG1-CZ 3.75Å; V75-Y154 HydrophobicContact CG1-CD2 4.49Å; V75-Y154 HydrophobicContact CG1-CE2 3.61Å
76S89.4Confident90.9Very high3 Ų325.8 Ų25.82%0.02114%0.135CC..Hα-helixtrans-63.6-24.8179.8-68.40000113.8I72 A74 F84 K131I72-S76 WeakPolarHBondContact O-CB 3.13Å; I72-S76 PolarHBondContact O-N 3.26Å; I72-S76 PolarHBondContact O-OG 2.79Å; A74-S76 PolarHBondContact O-N 2.7Å; S76-F84 WeakPolarHBondContact OG-CE2 3.43Å; S76-K131 PolarHBondContact O-NZ 2.96Å; S76-K131 VanDerWaalsContact O-NZ 3.11Å
77N87.7Confident91.1Very high76 Ų7625.3 Ų25.341%0.40613%0.132SC..Hα-helixtrans-83.6-38.6175.5-83.8-76.4000111.8F26 L73 A74 V75F26-N77 WeakPolarHBondContact CB-ND2 3.18Å; F26-N77 HydrophobicContact CD1-CB 4.06Å; F26-N77 HydrophobicContact CD2-CB 4.15Å; F26-N77 HydrophobicContact CE1-CB 4.23Å; F26-N77 HydrophobicContact CE2-CB 4.3Å; F26-N77 HydrophobicContact CG-CB 4.03Å; F26-N77 HydrophobicContact CZ-CB 4.35Å; L73-N77 PolarHBondContact O-N 2.76Å; L73-N77 PolarHBondContact O-ND2 3.02Å; A74-N77 PolarHBondContact O-N 2.96Å; V75-N77 PolarHBondContact O-N 3.32Å
78W87.3Confident91Very high93 Ų9325.3 Ų25.335%0.35213%0.132SC..Hα-helixtrans-77.1-37.6177-61.1-30000113.7Y16 I18 F26 I45 A74 V75Y16-W78 AromaticContact CD1-CH2 3.91Å; Y16-W78 HydrophobicContact CD1-CH2 3.91Å; Y16-W78 HydrophobicContact CD1-CZ3 4.47Å; Y16-W78 AromaticContact CE1-CH2 3.3Å; Y16-W78 HydrophobicContact CE1-CH2 3.3Å; Y16-W78 AromaticContact CE1-CZ2 3.51Å; Y16-W78 HydrophobicContact CE1-CZ2 3.51Å; Y16-W78 HydrophobicContact CE1-CZ3 4.11Å; Y16-W78 AromaticContact CZ-CZ2 3.96Å; I18-W78 HydrophobicContact CB-CH2 4.39Å; I18-W78 HydrophobicContact CD1-CH2 4.04Å; I18-W78 HydrophobicContact CD1-CZ2 3.76Å; I18-W78 HydrophobicContact CG1-CZ2 4.34Å; F26-W78 HydrophobicContact CE2-CZ2 4.22Å; F26-W78 AromaticContact CE2-NE1 3.71Å; F26-W78 AromaticContact CZ-NE1 3.48Å; I45-W78 HydrophobicContact CD1-CH2 3.92Å; I45-W78 HydrophobicContact CD1-CZ3 4.13Å; I45-W78 HydrophobicContact CG1-CH2 4.43Å; I45-W78 HydrophobicContact CG1-CZ3 4.15Å; I45-W78 HydrophobicContact CG2-CH2 4.05Å; I45-W78 HydrophobicContact CG2-CZ3 3.71Å; A74-W78 HydrophobicContact CB-CH2 4.2Å; A74-W78 HydrophobicContact CB-CZ3 4.21Å; A74-W78 PolarHBondContact O-N 3.25Å; V75-W78 PolarHBondContact O-N 2.52Å
79K86Confident90.6Very high92 Ų9226 Ų2640%0.414%0.136SC..  trans-119.886.2-178.1-65174.4-178.21630108.5D48 V75 N81 S82 Y154D48-K79 VanDerWaalsContact CG-NZ 3.31Å; D48-K79 IonicContact OD1-NZ 2.81Å; D48-K79 PolarHBondContact OD1-NZ 2.59Å; D48-K79 VanDerWaalsContact OD1-NZ 3.08Å; D48-K79 IonicContact OD2-NZ 3.08Å; D48-K79 PolarHBondContact OD2-NZ 3.02Å; V75-K79 HydrophobicContact CG1-CB 4.45Å; V75-K79 HydrophobicContact CG1-CD 4.2Å; V75-K79 PolarHBondContact O-N 3.08Å; K79-N81 PolarHBondContact O-N 3.36Å; K79-S82 WeakPolarHBondContact O-CB 3.23Å; K79-S82 PolarHBondContact O-N 2.73Å; K79-S82 PolarHBondContact O-OG 2.72Å; K79-Y154 PolarHBondContact NZ-OH 3.39Å
80S78.1Confident90.1Very high84 Ų8431.5 Ų31.559%0.58717%0.165SC*.THydrogen-bonded Turntrans-57.7-24.8-173.1-48.90000114.7
81N83.6Confident89.3Confident153 Ų15333.5 Ų33.582%0.81818%0.179SC*.THydrogen-bonded Turntrans-95.79.3-178.2-66.4-15.8000114.4K79 N153K79-N81 PolarHBondContact O-N 3.36Å; N81-N153 PolarHBondContact O-OD1 2.85Å
82S88.9Confident88.8Confident5 Ų534.1 Ų34.14%0.03518%0.183CC..  trans-71.4129.1-179.358.40000112.4K79 F84 N153K79-S82 WeakPolarHBondContact O-CB 3.23Å; K79-S82 PolarHBondContact O-N 2.73Å; K79-S82 PolarHBondContact O-OG 2.72Å; S82-F84 VanDerWaalsContact OG-CE2 3.25Å; S82-F84 WeakPolarHBondContact OG-CE2 3.3Å; S82-N153 WeakPolarHBondContact CA-OD1 3.44Å
83T92.3Very high88.6Confident20 Ų2034.3 Ų34.312%0.12318%0.184CC..  trans-105139.3172.9560000111.6Y151 W152 N153 Y154T83-Y151 PolarHBondContact OG1-O 3.29Å; T83-W152 WeakPolarHBondContact OG1-CA 3.43Å; T83-N153 PolarHBondContact N-OD1 3.39Å; T83-N153 PolarHBondContact O-N 3.48Å; T83-N153 PolarHBondContact OG1-N 2.79Å; T83-N153 VanDerWaalsContact OG1-N 3.09Å; T83-N153 PolarHBondContact OG1-OD1 2.86Å; T83-Y154 PolarHBondContact O-N 3.4Å
84F94.9Very high88.2Confident0 Ų038 Ų380%020%0.201CC..EExtended strand (participates in β ladder)trans-123.1127.4-178-59.1-95.3000110.8F71 I72 V75 S76 S82 K131 V132 L133 Y154 I156F71-F84 HydrophobicContact CE1-CE1 4.26Å; I72-F84 HydrophobicContact CB-CD1 4.41Å; I72-F84 HydrophobicContact CB-CE1 4.23Å; I72-F84 HydrophobicContact CB-CZ 4.34Å; I72-F84 HydrophobicContact CD1-CD1 4.39Å; I72-F84 HydrophobicContact CG1-CD1 3.71Å; I72-F84 HydrophobicContact CG1-CE1 3.86Å; I72-F84 HydrophobicContact CG1-CG 4.21Å; I72-F84 HydrophobicContact CG1-CZ 4.46Å; I72-F84 HydrophobicContact CG2-CD1 4.18Å; I72-F84 HydrophobicContact CG2-CD2 3.81Å; I72-F84 HydrophobicContact CG2-CE1 4.15Å; I72-F84 HydrophobicContact CG2-CE2 3.76Å; I72-F84 HydrophobicContact CG2-CG 4.03Å; I72-F84 HydrophobicContact CG2-CZ 3.94Å; V75-F84 HydrophobicContact CB-CZ 3.94Å; V75-F84 HydrophobicContact CG1-CE1 4.4Å; V75-F84 HydrophobicContact CG1-CZ 3.75Å; S76-F84 WeakPolarHBondContact OG-CE2 3.43Å; S82-F84 VanDerWaalsContact OG-CE2 3.25Å; S82-F84 WeakPolarHBondContact OG-CE2 3.3Å; F84-K131 PolarHBondContact N-O 2.98Å; F84-V132 HydrophobicContact CB-CG2 4.14Å; F84-V132 HydrophobicContact CD2-CG2 4.26Å; F84-V132 HydrophobicContact CG-CG2 4.48Å; F84-V132 WeakPolarHBondContact O-CA 3.42Å; F84-L133 PolarHBondContact O-N 3.34Å; F84-Y154 WeakPolarHBondContact CA-O 3.33Å; F84-Y154 VanDerWaalsContact CD1-CB 3.45Å; F84-Y154 AromaticContact CD1-CD2 3.76Å; F84-Y154 HydrophobicContact CD1-CD2 3.76Å; F84-Y154 AromaticContact CD1-CG 3.8Å; F84-Y154 HydrophobicContact CD1-CG 3.8Å; F84-Y154 HydrophobicContact CE1-CD1 4.42Å; F84-Y154 AromaticContact CE1-CD2 3.33Å; F84-Y154 HydrophobicContact CE1-CD2 3.33Å; F84-Y154 HydrophobicContact CE1-CE2 4.03Å; F84-Y154 AromaticContact CE1-CG 3.59Å; F84-Y154 HydrophobicContact CE1-CG 3.59Å; F84-Y154 HydrophobicContact CE2-CD2 4.44Å; F84-Y154 HydrophobicContact CG-CD2 4.45Å; F84-Y154 AromaticContact CZ-CD2 3.72Å; F84-Y154 HydrophobicContact CZ-CD2 3.72Å; F84-Y154 HydrophobicContact CZ-CE2 4.09Å; F84-Y154 HydrophobicContact CZ-CG 4.42Å; F84-I156 HydrophobicContact CD1-CD1 4.39Å
85L95.1Very high87.9Confident1 Ų140.6 Ų40.61%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-106117.9170179.263.3000109.3V87 L133 T135 F147 W152 Y154 V155 I156L85-V87 HydrophobicContact CD2-CG2 4.19Å; L85-V87 HydrophobicContact CG-CG2 3.98Å; L85-L133 HydrophobicContact CD1-CB 4.3Å; L85-L133 HydrophobicContact CD1-CD2 4.09Å; L85-L133 HydrophobicContact CD1-CG 4.46Å; L85-T135 HydrophobicContact CD1-CG2 3.93Å; L85-F147 HydrophobicContact CD1-CD1 4.07Å; L85-F147 HydrophobicContact CD1-CE1 3.79Å; L85-F147 HydrophobicContact CD2-CD1 4.33Å; L85-W152 HydrophobicContact CB-CD2 3.79Å; L85-W152 HydrophobicContact CB-CE3 3.71Å; L85-W152 HydrophobicContact CB-CG 4.14Å; L85-W152 HydrophobicContact CB-CZ3 4.25Å; L85-W152 HydrophobicContact CD1-CZ2 4.43Å; L85-W152 HydrophobicContact CD2-CD2 4.47Å; L85-W152 HydrophobicContact CD2-CG 4.44Å; L85-Y154 PolarHBondContact N-O 3Å; L85-V155 HydrophobicContact CB-CG1 4.5Å; L85-V155 HydrophobicContact CD2-CG1 4.37Å; L85-V155 CarbonylContact O-C 3.57Å; L85-V155 WeakPolarHBondContact O-CA 3.28Å; L85-I156 PolarHBondContact O-N 2.97Å
86I95.8Very high87.9Confident0 Ų040.6 Ų40.60%022%0.215CC..EExtended strand (participates in β ladder)trans-105.9116.6175-54.3178.1000108.4I72 W96 L100 V132 L133 L134 T135 I156I72-I86 HydrophobicContact CD1-CD1 3.89Å; I86-W96 HydrophobicContact CD1-CE3 4.02Å; I86-W96 HydrophobicContact CD1-CZ3 3.94Å; I86-W96 HydrophobicContact CG2-CD2 4.18Å; I86-W96 HydrophobicContact CG2-CE3 4.21Å; I86-W96 HydrophobicContact CG2-CH2 4.44Å; I86-W96 HydrophobicContact CG2-CZ2 4.42Å; I86-W96 HydrophobicContact CG2-CZ3 4.34Å; I86-L100 HydrophobicContact CD1-CD1 4.48Å; I86-V132 HydrophobicContact CD1-CG1 3.54Å; I86-V132 HydrophobicContact CG1-CG1 4.03Å; I86-L133 PolarHBondContact N-O 3.36Å; I86-L134 HydrophobicContact CB-CD1 3.75Å; I86-L134 HydrophobicContact CG2-CD1 3.54Å; I86-T135 PolarHBondContact O-N 3.22Å; I86-I156 CarbonylContact C-O 3.53Å; I86-I156 WeakPolarHBondContact CA-O 3.38Å; I86-I156 HydrophobicContact CG1-CB 4.29Å; I86-I156 HydrophobicContact CG1-CD1 4.1Å; I86-I156 HydrophobicContact CG2-CG2 4.42Å
87V94.6Very high88Confident0 Ų044.9 Ų44.90%023%0.231CC..EExtended strand (participates in β ladder)trans-109116.9177.4-173.80000108.6L85 T135 Y137 I156 V157 D158 L174L85-V87 HydrophobicContact CD2-CG2 4.19Å; L85-V87 HydrophobicContact CG-CG2 3.98Å; V87-T135 WeakPolarHBondContact CA-O 3.49Å; V87-T135 HydrophobicContact CG2-CG2 4.24Å; V87-Y137 HydrophobicContact CG1-CD1 3.85Å; V87-Y137 HydrophobicContact CG1-CD2 4.35Å; V87-Y137 HydrophobicContact CG1-CE1 4.03Å; V87-Y137 HydrophobicContact CG1-CG 4.03Å; V87-I156 PolarHBondContact N-O 3.42Å; V87-V157 WeakPolarHBondContact O-CA 3.29Å; V87-D158 PolarHBondContact O-N 3.11Å; V87-L174 HydrophobicContact CG2-CD2 4.19Å
88C92Very high88Confident0 Ų043.3 Ų43.30%023%0.225CC..EExtended strand (participates in β ladder)trans-138.9164.5-178.265.50000112.4V92 T135 T136 D158C88-V92 HydrophobicContact CB-CG2 3.73Å; C88-T135 PolarHBondContact N-O 3.27Å; C88-T136 WeakPolarHBondContact O-CA 3.34Å; C88-D158 HydrophobicContact CB-CB 3.76Å
89P86.8Confident88.2Confident15 Ų1541 Ų4110%0.09722%0.219CC..  trans-60.3148.1172.5-23.333.3000112.2S91 V92 Y137 E159P89-S91 PolarHBondContact O-N 3.08Å; P89-V92 HydrophobicContact CB-CG2 4.21Å; P89-V92 HydrophobicContact CG-CG2 4.28Å; P89-V92 VanDerWaalsContact O-CG2 3.23Å; P89-V92 WeakPolarHBondContact O-CG2 3.48Å; P89-V92 PolarHBondContact O-N 3.26Å; P89-Y137 HydrophobicContact CG-CE2 4.08Å; P89-E159 HydrophobicContact CG-CB 3.86Å; P89-E159 HydrophobicContact CG-CG 4.1Å
90L84.3Confident88.4Confident117 Ų11736.7 Ų36.761%0.61320%0.2SC*.G310 helixtrans-53.8-33.9-179.6-179.260.1000113.4V92 I93 T136L90-V92 VanDerWaalsContact C-N 3.3Å; L90-V92 PolarHBondContact O-N 2.91Å; L90-I93 HydrophobicContact CD1-CD1 3.71Å; L90-T136 HydrophobicContact CB-CG2 4.1Å; L90-T136 HydrophobicContact CD1-CG2 4.05Å
91S76.7Confident89.1Confident41 Ų4136.8 Ų36.829%0.28719%0.191SC..G310 helixtrans-69.6-18.9-177.856.10000115.1P89 Q433P89-S91 PolarHBondContact O-N 3.08Å; S91-Q433 WeakPolarHBondContact CB-O 3.05Å; S91-Q433 PolarHBondContact OG-O 3.43Å
92V83.1Confident89.3Confident14 Ų1434.1 Ų34.19%0.08518%0.177CC..G310 helixtrans-109.9-2.3-177.3-62.90000113.7C88 P89 L90 E94 N95 W96C88-V92 HydrophobicContact CB-CG2 3.73Å; P89-V92 HydrophobicContact CB-CG2 4.21Å; P89-V92 HydrophobicContact CG-CG2 4.28Å; P89-V92 VanDerWaalsContact O-CG2 3.23Å; P89-V92 WeakPolarHBondContact O-CG2 3.48Å; P89-V92 PolarHBondContact O-N 3.26Å; L90-V92 VanDerWaalsContact C-N 3.3Å; L90-V92 PolarHBondContact O-N 2.91Å; V92-E94 VanDerWaalsContact C-N 3.3Å; V92-E94 PolarHBondContact O-N 3.33Å; V92-N95 WeakPolarHBondContact O-CB 3.5Å; V92-N95 PolarHBondContact O-N 3.02Å; V92-N95 VanDerWaalsContact O-N 3.14Å; V92-W96 PolarHBondContact O-N 3.36Å
93I88.3Confident89.4Confident4 Ų433.9 Ų33.92%0.02118%0.175CC..Hα-helixtrans-55.4-46.8-179.3-68.8176.5000111.4L90 N95 W96 R97 T111 I113 L134 T136L90-I93 HydrophobicContact CD1-CD1 3.71Å; I93-N95 VanDerWaalsContact C-N 3.28Å; I93-N95 PolarHBondContact O-N 3.4Å; I93-W96 WeakPolarHBondContact O-CB 3.47Å; I93-W96 PolarHBondContact O-N 2.92Å; I93-R97 WeakPolarHBondContact O-CB 3.33Å; I93-R97 PolarHBondContact O-N 2.75Å; I93-T111 HydrophobicContact CG2-CG2 3.56Å; I93-I113 HydrophobicContact CD1-CG2 3.47Å; I93-I113 VanDerWaalsContact CD1-CG2 3.47Å; I93-I113 HydrophobicContact CG2-CD1 4.43Å; I93-L134 HydrophobicContact CG2-CD2 3.82Å; I93-L134 HydrophobicContact CG2-CG 4.31Å; I93-T136 HydrophobicContact CD1-CG2 3.2Å; I93-T136 HydrophobicContact CG1-CG2 4.12Å
94E84Confident89.2Confident81 Ų8133 Ų3338%0.37917%0.169SC..Hα-helixtrans-66.7-35.7-177.3-162.557.6-148.700111.1V92 R97 C98V92-E94 VanDerWaalsContact C-N 3.3Å; V92-E94 PolarHBondContact O-N 3.33Å; E94-R97 WeakPolarHBondContact O-CB 3.06Å; E94-R97 PolarHBondContact O-N 2.98Å; E94-C98 PolarHBondContact O-N 3.12Å; E94-C98 PolarHBondContact O-SG 2.91Å; E94-C98 VanDerWaalsContact O-SG 3.33Å
95N85.6Confident88.9Confident53 Ų5336.2 Ų36.228%0.28319%0.19SC..Hα-helixtrans-61.7-46.6172.6-174.281.7000111.4V92 I93 R97 C98 E99V92-N95 WeakPolarHBondContact O-CB 3.5Å; V92-N95 PolarHBondContact O-N 3.02Å; V92-N95 VanDerWaalsContact O-N 3.14Å; I93-N95 VanDerWaalsContact C-N 3.28Å; I93-N95 PolarHBondContact O-N 3.4Å; N95-R97 VanDerWaalsContact C-N 3.29Å; N95-R97 PolarHBondContact O-N 3.2Å; N95-C98 PolarHBondContact O-N 3.28Å; N95-E99 WeakPolarHBondContact O-CB 3.07Å; N95-E99 WeakPolarHBondContact O-CG 3.47Å; N95-E99 PolarHBondContact O-N 3.18Å
96W91.6Very high88.5Confident0 Ų042 Ų420%022%0.221CC..Hα-helixtrans-59-40.7174.1-86.997.2000112.3T65 V68 I69 I86 V92 I93 L100 L134 I156 D158 L185T65-W96 HydrophobicContact CG2-CD2 3.82Å; T65-W96 HydrophobicContact CG2-CE3 3.69Å; T65-W96 HydrophobicContact CG2-CH2 3.91Å; T65-W96 HydrophobicContact CG2-CZ2 4.02Å; T65-W96 HydrophobicContact CG2-CZ3 3.74Å; V68-W96 HydrophobicContact CB-CH2 4.15Å; V68-W96 HydrophobicContact CG1-CH2 4.08Å; V68-W96 HydrophobicContact CG1-CZ3 4.36Å; I69-W96 HydrophobicContact CD1-CE3 4.41Å; I69-W96 HydrophobicContact CD1-CZ3 4.37Å; I69-W96 HydrophobicContact CG1-CE3 4.46Å; I69-W96 HydrophobicContact CG1-CZ3 4.02Å; I86-W96 HydrophobicContact CD1-CE3 4.02Å; I86-W96 HydrophobicContact CD1-CZ3 3.94Å; I86-W96 HydrophobicContact CG2-CD2 4.18Å; I86-W96 HydrophobicContact CG2-CE3 4.21Å; I86-W96 HydrophobicContact CG2-CH2 4.44Å; I86-W96 HydrophobicContact CG2-CZ2 4.42Å; I86-W96 HydrophobicContact CG2-CZ3 4.34Å; V92-W96 PolarHBondContact O-N 3.36Å; I93-W96 WeakPolarHBondContact O-CB 3.47Å; I93-W96 PolarHBondContact O-N 2.92Å; W96-L100 VanDerWaalsContact O-CB 3.31Å; W96-L100 WeakPolarHBondContact O-CB 3.44Å; W96-L100 WeakPolarHBondContact O-CD1 3.32Å; W96-L100 VanDerWaalsContact O-CG 3.26Å; W96-L100 WeakPolarHBondContact O-CG 3.43Å; W96-L100 PolarHBondContact O-N 2.95Å; W96-L134 HydrophobicContact CB-CD1 3.9Å; W96-L134 HydrophobicContact CB-CD2 3.71Å; W96-L134 HydrophobicContact CB-CG 4.48Å; W96-L134 HydrophobicContact CG-CD1 4.14Å; W96-I156 HydrophobicContact CH2-CG2 4.43Å; W96-D158 HydrophobicContact CZ2-CB 4.15Å; W96-D158 PolarHBondContact NE1-OD2 3.3Å; W96-L185 HydrophobicContact CH2-CD1 3.88Å; W96-L185 HydrophobicContact CZ2-CD1 3.69Å
97R91.1Very high88.2Confident93 Ų9342.5 Ų42.535%0.35122%0.224SC..Hα-helixtrans-63.1-50.6177.5177.1174.4-175.9165.12112I93 E94 N95 L100 Q101 F109I93-R97 WeakPolarHBondContact O-CB 3.33Å; I93-R97 PolarHBondContact O-N 2.75Å; E94-R97 WeakPolarHBondContact O-CB 3.06Å; E94-R97 PolarHBondContact O-N 2.98Å; N95-R97 VanDerWaalsContact C-N 3.29Å; N95-R97 PolarHBondContact O-N 3.2Å; R97-L100 PolarHBondContact O-N 2.6Å; R97-Q101 VanDerWaalsContact O-CG 3.32Å; R97-Q101 WeakPolarHBondContact O-CG 3.32Å; R97-Q101 PolarHBondContact O-N 2.85Å; R97-F109 HydrophobicContact CG-CE2 3.95Å; R97-F109 HydrophobicContact CG-CZ 4.15Å
98C88.3Confident88Confident44 Ų4444.9 Ų44.930%0.29724%0.24SC..Hα-helixtrans-61.9-44.6178.4-66.50000111.6E94 N95 Q101 N102E94-C98 PolarHBondContact O-N 3.12Å; E94-C98 PolarHBondContact O-SG 2.91Å; E94-C98 VanDerWaalsContact O-SG 3.33Å; N95-C98 PolarHBondContact O-N 3.28Å; C98-Q101 PolarHBondContact O-N 3.4Å; C98-N102 WeakPolarHBondContact O-CB 3.31Å; C98-N102 PolarHBondContact O-N 3.45Å; C98-N102 PolarHBondContact O-ND2 3.28Å
99E90.4Very high88.1Confident45 Ų4547.1 Ų47.121%0.2125%0.25CS..Hα-helixtrans-64.5-41.1179.1-66.2-83.5-158.600111.5T65 I69 N95 Q101 N102 I103T65-E99 HydrophobicContact CG2-CB 4.08Å; T65-E99 HydrophobicContact CG2-CG 4.2Å; I69-E99 HydrophobicContact CD1-CB 3.67Å; N95-E99 WeakPolarHBondContact O-CB 3.07Å; N95-E99 WeakPolarHBondContact O-CG 3.47Å; N95-E99 PolarHBondContact O-N 3.18Å; E99-Q101 PolarHBondContact O-N 3.44Å; E99-N102 PolarHBondContact O-N 3.4Å; E99-I103 HydrophobicContact CB-CD1 4.3Å; E99-I103 VanDerWaalsContact O-CB 3.22Å; E99-I103 WeakPolarHBondContact O-CB 3.41Å; E99-I103 VanDerWaalsContact O-CG1 3.24Å; E99-I103 WeakPolarHBondContact O-CG1 3.34Å; E99-I103 PolarHBondContact O-N 3.4Å; E99-I103 WeakPolarHBondContact OE2-CD1 3.33Å
100L92Very high88.4Confident1 Ų147.8 Ų47.81%0.00525%0.252CS..Hα-helixtrans-61-43174.4-80.8166.9000111.9I69 I86 W96 R97 A104 F109 V132I69-L100 HydrophobicContact CD1-CD2 4.13Å; I69-L100 HydrophobicContact CD1-CG 4.08Å; I69-L100 HydrophobicContact CG1-CD2 3.8Å; I69-L100 HydrophobicContact CG1-CG 4.27Å; I69-L100 HydrophobicContact CG2-CD2 4.11Å; I86-L100 HydrophobicContact CD1-CD1 4.48Å; W96-L100 VanDerWaalsContact O-CB 3.31Å; W96-L100 WeakPolarHBondContact O-CB 3.44Å; W96-L100 WeakPolarHBondContact O-CD1 3.32Å; W96-L100 VanDerWaalsContact O-CG 3.26Å; W96-L100 WeakPolarHBondContact O-CG 3.43Å; W96-L100 PolarHBondContact O-N 2.95Å; R97-L100 PolarHBondContact O-N 2.6Å; L100-A104 CarbonylContact O-C 3.48Å; L100-A104 VanDerWaalsContact O-C 3.26Å; L100-A104 PolarHBondContact O-N 3.13Å; L100-A104 VanDerWaalsContact O-N 3.11Å; L100-F109 HydrophobicContact CB-CD1 4.2Å; L100-F109 HydrophobicContact CB-CE1 4.23Å; L100-F109 HydrophobicContact CD1-CB 4.42Å; L100-F109 HydrophobicContact CD1-CD2 4.28Å; L100-F109 HydrophobicContact CD1-CG 4.21Å; L100-V132 HydrophobicContact CD1-CG1 4.32Å
101Q91.5Very high88.8Confident85 Ų8543 Ų4340%0.39723%0.228SC..Hα-helixtrans-65.9-39.9177.6-71.9176.7-30.500112.5R97 C98 E99 F109R97-Q101 VanDerWaalsContact O-CG 3.32Å; R97-Q101 WeakPolarHBondContact O-CG 3.32Å; R97-Q101 PolarHBondContact O-N 2.85Å; C98-Q101 PolarHBondContact O-N 3.4Å; E99-Q101 PolarHBondContact O-N 3.44Å; Q101-F109 HydrophobicContact CG-CE1 3.6Å; Q101-F109 HydrophobicContact CG-CZ 3.45Å; Q101-F109 VanDerWaalsContact CG-CZ 3.45Å
102N89.1Confident89.6Confident98 Ų9841 Ų4152%0.52422%0.215SC..Hα-helixtrans-77.1-45.5-176.5-70.2-11.9000112.5T29 C98 E99T29-N102 VanDerWaalsContact O-O 3.05Å; T29-N102 PolarHBondContact OG1-O 3.06Å; C98-N102 WeakPolarHBondContact O-CB 3.31Å; C98-N102 PolarHBondContact O-N 3.45Å; C98-N102 PolarHBondContact O-ND2 3.28Å; E99-N102 PolarHBondContact O-N 3.4Å
103I89.8Confident90Very high0 Ų043 Ų430%022%0.224CC..Hα-helixtrans-82.3-41.5-172.1-62.5177.1000111.6L28 T29 I31 C66 I69 E99L28-I103 HydrophobicContact CD1-CG2 3.47Å; L28-I103 VanDerWaalsContact CD1-CG2 3.47Å; T29-I103 PolarHBondContact N-O 3.16Å; I31-I103 HydrophobicContact CD1-CD1 3.59Å; I31-I103 HydrophobicContact CD1-CG1 3.38Å; I31-I103 HydrophobicContact CG1-CG1 4.1Å; C66-I103 HydrophobicContact CB-CD1 3.97Å; I69-I103 HydrophobicContact CB-CG2 4.31Å; I69-I103 HydrophobicContact CD1-CD1 4.03Å; I69-I103 HydrophobicContact CG2-CB 3.88Å; I69-I103 HydrophobicContact CG2-CG2 3.59Å; E99-I103 HydrophobicContact CB-CD1 4.3Å; E99-I103 VanDerWaalsContact O-CB 3.22Å; E99-I103 WeakPolarHBondContact O-CB 3.41Å; E99-I103 VanDerWaalsContact O-CG1 3.24Å; E99-I103 WeakPolarHBondContact O-CG1 3.34Å; E99-I103 PolarHBondContact O-N 3.4Å; E99-I103 WeakPolarHBondContact OE2-CD1 3.33Å
104A89.4Confident90Very high0 Ų045 Ų450%025%0.246CC..  trans-136.663.1-170.200000112.1I69 L73 L100 N106 I107I69-A104 HydrophobicContact CG2-CB 3.76Å; L73-A104 HydrophobicContact CD1-CB 4.25Å; L100-A104 CarbonylContact O-C 3.48Å; L100-A104 VanDerWaalsContact O-C 3.26Å; L100-A104 PolarHBondContact O-N 3.13Å; L100-A104 VanDerWaalsContact O-N 3.11Å; A104-N106 PolarHBondContact O-N 2.94Å; A104-N106 VanDerWaalsContact O-N 3.1Å; A104-I107 HydrophobicContact CB-CD1 3.67Å; A104-I107 HydrophobicContact CB-CG1 3.99Å; A104-I107 PolarHBondContact O-N 3.31Å; A104-I107 VanDerWaalsContact O-N 3.07Å
105P88Confident90.3Very high68 Ų6846 Ų4644%0.44225%0.254SS..THydrogen-bonded Turntrans-61.1-23-177.425.6-35.4000113.5T29 I107T29-P105 HydrophobicContact CG2-CG 4.23Å; T29-P105 WeakPolarHBondContact OG1-CD 3.43Å; T29-P105 WeakPolarHBondContact OG1-CG 3.27Å; P105-I107 VanDerWaalsContact C-N 3.26Å; P105-I107 PolarHBondContact O-N 2.76Å
106N87Confident90.4Very high122 Ų12251.3 Ų51.365%0.65227%0.274SS*.THydrogen-bonded Turntrans-75.1-11179.4-65.7-15.7000113.6A104A104-N106 PolarHBondContact O-N 2.94Å; A104-N106 VanDerWaalsContact O-N 3.1Å
107I88.6Confident90.4Very high11 Ų1155.9 Ų55.96%0.05630%0.302CS..SBendtrans-91.9123.1-178.7-58.3-178000109.9I72 L73 A104 P105 F109 K131 V132I72-I107 HydrophobicContact CG2-CD1 3.93Å; L73-I107 HydrophobicContact CB-CD1 4.08Å; L73-I107 HydrophobicContact CD1-CD1 3.79Å; L73-I107 HydrophobicContact CD1-CG1 4.01Å; A104-I107 HydrophobicContact CB-CD1 3.67Å; A104-I107 HydrophobicContact CB-CG1 3.99Å; A104-I107 PolarHBondContact O-N 3.31Å; A104-I107 VanDerWaalsContact O-N 3.07Å; P105-I107 VanDerWaalsContact C-N 3.26Å; P105-I107 PolarHBondContact O-N 2.76Å; I107-F109 PolarHBondContact O-N 3.36Å; I107-K131 HydrophobicContact CG2-CB 4.28Å; I107-V132 HydrophobicContact CG2-CG2 3.64Å
108S91Very high90.4Very high50 Ų5053.3 Ų53.335%0.3530%0.3SS..  trans-69.3117.4170.753.30000110.5S129 K131 V132S108-S129 PolarHBondContact OG-O 2.87Å; S108-K131 PolarHBondContact O-N 3.27Å; S108-K131 PolarHBondContact OG-N 2.79Å; S108-V132 PolarHBondContact O-N 3.05Å; S108-V132 VanDerWaalsContact O-N 3.12Å
109F93.1Very high90.5Very high48 Ų4852.2 Ų52.221%0.21129%0.29CS..EExtended strand (participates in β ladder)trans-128.715317575.7-89.5000111.7R97 L100 Q101 I107 V132R97-F109 HydrophobicContact CG-CE2 3.95Å; R97-F109 HydrophobicContact CG-CZ 4.15Å; L100-F109 HydrophobicContact CB-CD1 4.2Å; L100-F109 HydrophobicContact CB-CE1 4.23Å; L100-F109 HydrophobicContact CD1-CB 4.42Å; L100-F109 HydrophobicContact CD1-CD2 4.28Å; L100-F109 HydrophobicContact CD1-CG 4.21Å; Q101-F109 HydrophobicContact CG-CE1 3.6Å; Q101-F109 HydrophobicContact CG-CZ 3.45Å; Q101-F109 VanDerWaalsContact CG-CZ 3.45Å; I107-F109 PolarHBondContact O-N 3.36Å; F109-V132 CarbonylContact C-O 3.6Å; F109-V132 WeakPolarHBondContact CA-O 3.13Å; F109-V132 HydrophobicContact CB-CB 3.75Å; F109-V132 HydrophobicContact CB-CG1 4.21Å
110M92.9Very high90.5Very high28 Ų2855.6 Ų55.614%0.13831%0.305CS..EExtended strand (participates in β ladder)trans-130134.6174.8177.5180-84.700109.9L122 D125 Y126 I130 V132 L133 L134M110-L122 HydrophobicContact SD-CD2 4.43Å; M110-D125 HydrophobicContact CE-CB 4.22Å; M110-Y126 HydrophobicContact SD-CD2 4.18Å; M110-I130 HydrophobicContact CB-CD1 4.07Å; M110-I130 HydrophobicContact CB-CG2 3.8Å; M110-I130 HydrophobicContact CE-CD1 3.39Å; M110-I130 HydrophobicContact SD-CD1 3.94Å; M110-V132 PolarHBondContact N-O 2.98Å; M110-L133 HydrophobicContact CB-CD1 4.1Å; M110-L133 HydrophobicContact CG-CD1 4.22Å; M110-L133 HydrophobicContact SD-CD1 4.34Å; M110-L134 PolarHBondContact O-N 3.16Å
111T94Very high90.5Very high17 Ų1759.5 Ų59.510%0.10433%0.326CS..EExtended strand (participates in β ladder)trans-93.3113.5173.6-50.30000109.4I93 I113 L134I93-T111 HydrophobicContact CG2-CG2 3.56Å; T111-I113 HydrophobicContact CG2-CD1 3.9Å; T111-I113 HydrophobicContact CG2-CG1 3.92Å; T111-I113 HydrophobicContact CG2-CG2 4.13Å; T111-I113 PolarHBondContact O-N 2.89Å; T111-L134 HydrophobicContact CG2-CD2 4.36Å
112Y93.5Very high90.4Very high0 Ų057.4 Ų57.40%032%0.317CS..  trans-97.481.7-177.7-167.5-108.2000111.3R119 L122 R123 L134 T135 I139 D143 F146 F147Y112-R119 HydrophobicContact CE1-CG 4.44Å; Y112-R119 HydrophobicContact CE2-CB 4.15Å; Y112-R119 HydrophobicContact CE2-CG 4.4Å; Y112-R119 PolarHBondContact OH-O 3.36Å; Y112-L122 HydrophobicContact CD2-CB 3.84Å; Y112-L122 HydrophobicContact CD2-CD1 4.14Å; Y112-L122 HydrophobicContact CE2-CB 3.86Å; Y112-R123 HydrophobicContact CE2-CG 3.81Å; Y112-R123 VanDerWaalsContact OH-CD 3.32Å; Y112-R123 WeakPolarHBondContact OH-CD 3.34Å; Y112-R123 WeakPolarHBondContact OH-CG 3.36Å; Y112-R123 PolarHBondContact OH-NE 3.01Å; Y112-L134 PolarHBondContact N-O 2.87Å; Y112-T135 PolarHBondContact O-OG1 2.85Å; Y112-T135 VanDerWaalsContact O-OG1 3.07Å; Y112-I139 HydrophobicContact CD1-CG2 3.47Å; Y112-I139 VanDerWaalsContact CD1-CG2 3.47Å; Y112-I139 HydrophobicContact CE1-CG2 3.54Å; Y112-I139 WeakPolarHBondContact O-CD1 3.28Å; Y112-D143 HydrophobicContact CE1-CB 4.36Å; Y112-D143 PolarHBondContact OH-OD2 2.92Å; Y112-F146 HydrophobicContact CE1-CD1 4.35Å; Y112-F146 HydrophobicContact CE2-CE1 4.43Å; Y112-F147 AromaticContact CD1-CZ 3.87Å; Y112-F147 HydrophobicContact CD1-CZ 3.87Å; Y112-F147 HydrophobicContact CE1-CE2 4.38Å; Y112-F147 HydrophobicContact CE1-CZ 4.15Å
113I91.4Very high90.4Very high55 Ų5556.3 Ų56.328%0.28231%0.306SS..  trans-138.4169.5179.364.6176.2000111.9I93 T111 L122 I139I93-I113 HydrophobicContact CD1-CG2 3.47Å; I93-I113 VanDerWaalsContact CD1-CG2 3.47Å; I93-I113 HydrophobicContact CG2-CD1 4.43Å; T111-I113 HydrophobicContact CG2-CD1 3.9Å; T111-I113 HydrophobicContact CG2-CG1 3.92Å; T111-I113 HydrophobicContact CG2-CG2 4.13Å; T111-I113 PolarHBondContact O-N 2.89Å; I113-L122 WeakPolarHBondContact O-CD1 3.4Å; I113-I139 HydrophobicContact CB-CD1 4.2Å; I113-I139 HydrophobicContact CG2-CD1 4.02Å
114G87.9Confident90.2Very high46 Ų4660.1 Ų60.147%0.47433%0.332SS..SBendtrans115-175.3173.600000113.4R119G114-R119 WeakPolarHBondContact O-CD 3.5Å
115D89.3Confident90.1Very high103 Ų10364.8 Ų64.855%0.55136%0.357SS*.SBendtrans-67.6174.9177.472.116.6000112V117 A118 R119D115-V117 PolarHBondContact O-N 3.31Å; D115-V117 PolarHBondContact OD1-N 3.45Å; D115-A118 PolarHBondContact O-N 3.15Å; D115-A118 WeakPolarHBondContact OD1-CB 3.38Å; D115-A118 PolarHBondContact OD1-N 2.99Å; D115-R119 WeakPolarHBondContact O-CB 3.46Å; D115-R119 VanDerWaalsContact O-CG 3.31Å; D115-R119 WeakPolarHBondContact O-CG 3.38Å; D115-R119 PolarHBondContact O-N 3.33Å
116K89.7Confident90Very high164 Ų16463 Ų6371%0.71334%0.342SS*.Hα-helixtrans-59.5-29.7-177.9-169.5174.3-178.2174.30113H120K116-H120 WeakPolarHBondContact O-CB 3.22Å; K116-H120 PolarHBondContact O-N 2.89Å; K116-H120 VanDerWaalsContact O-N 3.14Å
117V90.8Very high89.8Confident96 Ų9661.9 Ų61.958%0.58234%0.336SS*.Hα-helixtrans-78.9-48.3-177.8-178.80000110.1D115 R119 H120 N121D115-V117 PolarHBondContact O-N 3.31Å; D115-V117 PolarHBondContact OD1-N 3.45Å; V117-R119 VanDerWaalsContact C-N 3.31Å; V117-R119 PolarHBondContact O-N 3.25Å; V117-H120 WeakPolarHBondContact O-CB 3.45Å; V117-H120 PolarHBondContact O-N 3.25Å; V117-H120 VanDerWaalsContact O-N 3.07Å; V117-N121 PolarHBondContact O-N 3.33Å; V117-N121 VanDerWaalsContact O-N 3.12Å
118A90.2Very high89.2Confident38 Ų3871 Ų7131%0.31438%0.376SS..Hα-helixtrans-56-46.6173.800000111D115 H120 N121 L122D115-A118 PolarHBondContact O-N 3.15Å; D115-A118 WeakPolarHBondContact OD1-CB 3.38Å; D115-A118 PolarHBondContact OD1-N 2.99Å; A118-H120 VanDerWaalsContact C-N 3.29Å; A118-H120 PolarHBondContact O-N 3.13Å; A118-N121 PolarHBondContact O-N 2.94Å; A118-L122 WeakPolarHBondContact O-CG 3.42Å; A118-L122 PolarHBondContact O-N 3.22Å
119R92Very high88.8Confident22 Ų2272.5 Ų72.58%0.08339%0.386CS..Hα-helixtrans-66.6-25.8177-68.7-169.6-50.7138.314.8113.9Y112 G114 D115 V117 R123 D143Y112-R119 HydrophobicContact CE1-CG 4.44Å; Y112-R119 HydrophobicContact CE2-CB 4.15Å; Y112-R119 HydrophobicContact CE2-CG 4.4Å; Y112-R119 PolarHBondContact OH-O 3.36Å; G114-R119 WeakPolarHBondContact O-CD 3.5Å; D115-R119 WeakPolarHBondContact O-CB 3.46Å; D115-R119 VanDerWaalsContact O-CG 3.31Å; D115-R119 WeakPolarHBondContact O-CG 3.38Å; D115-R119 PolarHBondContact O-N 3.33Å; V117-R119 VanDerWaalsContact C-N 3.31Å; V117-R119 PolarHBondContact O-N 3.25Å; R119-R123 WeakPolarHBondContact O-CG 3.43Å; R119-R123 PolarHBondContact O-N 3.28Å; R119-R123 PolarHBondContact O-NE 3.47Å; R119-D143 VanDerWaalsContact CZ-CG 3.47Å; R119-D143 IonicContact CZ-OD1 3.88Å; R119-D143 IonicContact CZ-OD2 3.79Å; R119-D143 IonicContact NH1-OD1 3.46Å; R119-D143 PolarHBondContact NH1-OD1 3.17Å; R119-D143 IonicContact NH1-OD2 3.68Å; R119-D143 PolarHBondContact NH1-OD2 3.49Å; R119-D143 IonicContact NH2-OD1 2.76Å; R119-D143 PolarHBondContact NH2-OD1 3.44Å; R119-D143 IonicContact NH2-OD2 2.88Å
120H90.3Very high88.4Confident116 Ų11671 Ų7154%0.53738%0.38SS..Hα-helixtrans-68.8-45.3171.2-177.268.1000111.3K116 V117 A118 R123 S124K116-H120 WeakPolarHBondContact O-CB 3.22Å; K116-H120 PolarHBondContact O-N 2.89Å; K116-H120 VanDerWaalsContact O-N 3.14Å; V117-H120 WeakPolarHBondContact O-CB 3.45Å; V117-H120 PolarHBondContact O-N 3.25Å; V117-H120 VanDerWaalsContact O-N 3.07Å; A118-H120 VanDerWaalsContact C-N 3.29Å; A118-H120 PolarHBondContact O-N 3.13Å; H120-R123 PolarHBondContact O-N 2.87Å; H120-S124 PolarHBondContact O-N 3.22Å
121N90.3Very high88.3Confident82 Ų8272.5 Ų72.544%0.43939%0.386SS..Hα-helixtrans-64.9-42.2176.9-60.5-19.3000111.7V117 A118 R123 S124 D125V117-N121 PolarHBondContact O-N 3.33Å; V117-N121 VanDerWaalsContact O-N 3.12Å; A118-N121 PolarHBondContact O-N 2.94Å; N121-R123 PolarHBondContact O-N 3.04Å; N121-S124 WeakPolarHBondContact CA-OG 3.4Å; N121-S124 PolarHBondContact O-N 2.96Å; N121-S124 VanDerWaalsContact O-N 3.08Å; N121-S124 PolarHBondContact O-OG 3.08Å; N121-D125 VanDerWaalsContact O-CG 3.26Å; N121-D125 PolarHBondContact O-N 3.21Å
122L90.7Very high88.3Confident41 Ų4171.7 Ų71.722%0.21538%0.381CS..Hα-helixtrans-60.9-34.2176.2-69.8172.1000112.4M110 Y112 I113 A118 D125 Y126M110-L122 HydrophobicContact SD-CD2 4.43Å; Y112-L122 HydrophobicContact CD2-CB 3.84Å; Y112-L122 HydrophobicContact CD2-CD1 4.14Å; Y112-L122 HydrophobicContact CE2-CB 3.86Å; I113-L122 WeakPolarHBondContact O-CD1 3.4Å; A118-L122 WeakPolarHBondContact O-CG 3.42Å; A118-L122 PolarHBondContact O-N 3.22Å; L122-D125 PolarHBondContact O-N 3.12Å; L122-Y126 PolarHBondContact O-N 3.01Å
123R89.3Confident88.3Confident76 Ų7671.7 Ų71.729%0.28738%0.381SS..Hα-helixtrans-69-36.6174.2-76.8-178.2-67.7-149.3-8.8112.9Y112 R119 H120 N121 D125 Y126 D143 F146Y112-R123 HydrophobicContact CE2-CG 3.81Å; Y112-R123 VanDerWaalsContact OH-CD 3.32Å; Y112-R123 WeakPolarHBondContact OH-CD 3.34Å; Y112-R123 WeakPolarHBondContact OH-CG 3.36Å; Y112-R123 PolarHBondContact OH-NE 3.01Å; R119-R123 WeakPolarHBondContact O-CG 3.43Å; R119-R123 PolarHBondContact O-N 3.28Å; R119-R123 PolarHBondContact O-NE 3.47Å; H120-R123 PolarHBondContact O-N 2.87Å; N121-R123 PolarHBondContact O-N 3.04Å; R123-D125 VanDerWaalsContact C-N 3.3Å; R123-Y126 PolarHBondContact O-N 3.2Å; R123-D143 IonicContact CZ-OD2 2.76Å; R123-D143 VanDerWaalsContact CZ-OD2 3.28Å; R123-D143 IonicContact NH1-OD2 3.75Å; R123-D143 PolarHBondContact NH1-OD2 3.09Å; R123-D143 IonicContact NH2-OD2 3.72Å; R123-F146 HydrophobicContact CB-CD2 4.44Å; R123-F146 HydrophobicContact CB-CE2 4.39Å; R123-F146 HydrophobicContact CG-CD1 4.28Å; R123-F146 HydrophobicContact CG-CD2 3.66Å; R123-F146 HydrophobicContact CG-CE1 4.43Å; R123-F146 HydrophobicContact CG-CE2 3.84Å; R123-F146 HydrophobicContact CG-CG 3.89Å; R123-F146 HydrophobicContact CG-CZ 4.22Å
124S85.9Confident88.5Confident79 Ų7969 Ų6955%0.55237%0.367SS*.Hα-helixtrans-70.8-30.7175.654.30000112.4H120 N121 Y126H120-S124 PolarHBondContact O-N 3.22Å; N121-S124 WeakPolarHBondContact CA-OG 3.4Å; N121-S124 PolarHBondContact O-N 2.96Å; N121-S124 VanDerWaalsContact O-N 3.08Å; N121-S124 PolarHBondContact O-OG 3.08Å; S124-Y126 VanDerWaalsContact C-N 3.33Å
125D86Confident88.8Confident98 Ų9866.9 Ų66.952%0.52435%0.345SS..Hα-helixtrans-83.3-13179-63.3-12.3000112.5M110 N121 L122 R123 N127M110-D125 HydrophobicContact CE-CB 4.22Å; N121-D125 VanDerWaalsContact O-CG 3.26Å; N121-D125 PolarHBondContact O-N 3.21Å; L122-D125 PolarHBondContact O-N 3.12Å; R123-D125 VanDerWaalsContact C-N 3.3Å; D125-N127 PolarHBondContact O-N 3.27Å; D125-N127 VanDerWaalsContact O-N 3.14Å
126Y86Confident89Confident30 Ų3062.2 Ų62.212%0.11832%0.32CS..  trans-66.5113.3179.3-177.4-98.2000110.8M110 L122 R123 S124 I130 L133 F146 V150M110-Y126 HydrophobicContact SD-CD2 4.18Å; L122-Y126 PolarHBondContact O-N 3.01Å; R123-Y126 PolarHBondContact O-N 3.2Å; S124-Y126 VanDerWaalsContact C-N 3.33Å; Y126-I130 HydrophobicContact CD2-CD1 3.86Å; Y126-I130 HydrophobicContact CE2-CB 4.14Å; Y126-I130 HydrophobicContact CE2-CD1 4.34Å; Y126-I130 HydrophobicContact CE2-CG2 4.33Å; Y126-L133 HydrophobicContact CD2-CD1 4.38Å; Y126-L133 HydrophobicContact CE2-CD1 4.34Å; Y126-F146 HydrophobicContact CD1-CE2 4.18Å; Y126-F146 HydrophobicContact CD1-CZ 4.08Å; Y126-F146 HydrophobicContact CD2-CZ 4.26Å; Y126-F146 HydrophobicContact CG-CE2 4.31Å; Y126-F146 AromaticContact CG-CZ 3.91Å; Y126-F146 HydrophobicContact CG-CZ 3.91Å; Y126-V150 HydrophobicContact CD1-CG2 4.41Å; Y126-V150 HydrophobicContact CE1-CG2 3.57Å
127N82.4Confident89.1Confident100 Ų10054.6 Ų54.654%0.53529%0.287SS..  trans-111.3150.3173.4-72.3-42000109.9D125 S129 I130D125-N127 PolarHBondContact O-N 3.27Å; D125-N127 VanDerWaalsContact O-N 3.14Å; N127-S129 WeakPolarHBondContact CB-OG 3.44Å; N127-S129 PolarHBondContact O-N 3.01Å; N127-I130 WeakPolarHBondContact O-CB 3.3Å; N127-I130 PolarHBondContact O-N 3.38Å
128K77.4Confident89.1Confident202 Ų20253.9 Ų53.988%0.87828%0.277SS*.THydrogen-bonded Turntrans-60.4-8.8175-67.5-175.2178.1-1780114.1I130K128-I130 VanDerWaalsContact C-N 3.28Å
129S81.7Confident89.2Confident82 Ų8253 Ų5357%0.57327%0.267SS*.THydrogen-bonded Turntrans-74-16.6172.556.30000113.5S108 N127 K131S108-S129 PolarHBondContact OG-O 2.87Å; N127-S129 WeakPolarHBondContact CB-OG 3.44Å; N127-S129 PolarHBondContact O-N 3.01Å; S129-K131 PolarHBondContact O-N 2.92Å
130I85.4Confident89.2Confident17 Ų1751.9 Ų51.99%0.08726%0.263CS..  trans-79.2113.2176.4-61.2163.4000108.1M110 Y126 N127 K128 V132M110-I130 HydrophobicContact CB-CD1 4.07Å; M110-I130 HydrophobicContact CB-CG2 3.8Å; M110-I130 HydrophobicContact CE-CD1 3.39Å; M110-I130 HydrophobicContact SD-CD1 3.94Å; Y126-I130 HydrophobicContact CD2-CD1 3.86Å; Y126-I130 HydrophobicContact CE2-CB 4.14Å; Y126-I130 HydrophobicContact CE2-CD1 4.34Å; Y126-I130 HydrophobicContact CE2-CG2 4.33Å; N127-I130 WeakPolarHBondContact O-CB 3.3Å; N127-I130 PolarHBondContact O-N 3.38Å; K128-I130 VanDerWaalsContact C-N 3.28Å; I130-V132 WeakPolarHBondContact CG2-O 3.47Å
131K90.2Very high89.2Confident58 Ų5849 Ų4925%0.25225%0.251SS..  trans-79.8-37.1-177.9-67.7-171.7177-176.80112.3S76 F84 I107 S108 S129S76-K131 PolarHBondContact O-NZ 2.96Å; S76-K131 VanDerWaalsContact O-NZ 3.11Å; F84-K131 PolarHBondContact N-O 2.98Å; I107-K131 HydrophobicContact CG2-CB 4.28Å; S108-K131 PolarHBondContact O-N 3.27Å; S108-K131 PolarHBondContact OG-N 2.79Å; S129-K131 PolarHBondContact O-N 2.92Å
132V94.1Very high89.2Confident0 Ų050.6 Ų50.60%026%0.259CS..EExtended strand (participates in β ladder)trans-118.1126.1-174.5-178.20000111.2I72 F84 I86 L100 I107 S108 F109 M110 I130I72-V132 HydrophobicContact CG2-CG2 3.81Å; F84-V132 HydrophobicContact CB-CG2 4.14Å; F84-V132 HydrophobicContact CD2-CG2 4.26Å; F84-V132 HydrophobicContact CG-CG2 4.48Å; F84-V132 WeakPolarHBondContact O-CA 3.42Å; I86-V132 HydrophobicContact CD1-CG1 3.54Å; I86-V132 HydrophobicContact CG1-CG1 4.03Å; L100-V132 HydrophobicContact CD1-CG1 4.32Å; I107-V132 HydrophobicContact CG2-CG2 3.64Å; S108-V132 PolarHBondContact O-N 3.05Å; S108-V132 VanDerWaalsContact O-N 3.12Å; F109-V132 CarbonylContact C-O 3.6Å; F109-V132 WeakPolarHBondContact CA-O 3.13Å; F109-V132 HydrophobicContact CB-CB 3.75Å; F109-V132 HydrophobicContact CB-CG1 4.21Å; M110-V132 PolarHBondContact N-O 2.98Å; I130-V132 WeakPolarHBondContact CG2-O 3.47Å
133L94.6Very high89.2Confident0 Ų049.3 Ų49.30%025%0.253CS..EExtended strand (participates in β ladder)trans-111.5119.5171.4-168.973.4000109.8F84 L85 I86 M110 Y126 F146 F147 W152F84-L133 PolarHBondContact O-N 3.34Å; L85-L133 HydrophobicContact CD1-CB 4.3Å; L85-L133 HydrophobicContact CD1-CD2 4.09Å; L85-L133 HydrophobicContact CD1-CG 4.46Å; I86-L133 PolarHBondContact N-O 3.36Å; M110-L133 HydrophobicContact CB-CD1 4.1Å; M110-L133 HydrophobicContact CG-CD1 4.22Å; M110-L133 HydrophobicContact SD-CD1 4.34Å; Y126-L133 HydrophobicContact CD2-CD1 4.38Å; Y126-L133 HydrophobicContact CE2-CD1 4.34Å; L133-F146 HydrophobicContact CD2-CE1 3.98Å; L133-F147 HydrophobicContact CD2-CD1 4.27Å; L133-F147 HydrophobicContact CD2-CE1 3.64Å; L133-W152 HydrophobicContact CB-CH2 3.5Å; L133-W152 VanDerWaalsContact CB-CH2 3.5Å; L133-W152 HydrophobicContact CB-CZ2 4.48Å; L133-W152 HydrophobicContact CB-CZ3 3.81Å; L133-W152 HydrophobicContact CD2-CH2 3.44Å; L133-W152 VanDerWaalsContact CD2-CH2 3.44Å; L133-W152 HydrophobicContact CD2-CZ2 3.67Å; L133-W152 HydrophobicContact CD2-CZ3 4.5Å; L133-W152 HydrophobicContact CG-CH2 4.07Å
134L95.1Very high89.2Confident0 Ų048.7 Ų48.70%025%0.253CS..EExtended strand (participates in β ladder)trans-101.3125.4178.3-177.364.9000110I86 I93 W96 M110 T111 Y112I86-L134 HydrophobicContact CB-CD1 3.75Å; I86-L134 HydrophobicContact CG2-CD1 3.54Å; I93-L134 HydrophobicContact CG2-CD2 3.82Å; I93-L134 HydrophobicContact CG2-CG 4.31Å; W96-L134 HydrophobicContact CB-CD1 3.9Å; W96-L134 HydrophobicContact CB-CD2 3.71Å; W96-L134 HydrophobicContact CB-CG 4.48Å; W96-L134 HydrophobicContact CG-CD1 4.14Å; M110-L134 PolarHBondContact O-N 3.16Å; T111-L134 HydrophobicContact CG2-CD2 4.36Å; Y112-L134 PolarHBondContact N-O 2.87Å
135T94.7Very high89.4Confident0 Ų048.7 Ų48.70%026%0.257CS..EExtended strand (participates in β ladder)trans-149.8176.4-177.2-160.50000112.8L85 I86 V87 C88 Y112 I139 C140 F147L85-T135 HydrophobicContact CD1-CG2 3.93Å; I86-T135 PolarHBondContact O-N 3.22Å; V87-T135 WeakPolarHBondContact CA-O 3.49Å; V87-T135 HydrophobicContact CG2-CG2 4.24Å; C88-T135 PolarHBondContact N-O 3.27Å; Y112-T135 PolarHBondContact O-OG1 2.85Å; Y112-T135 VanDerWaalsContact O-OG1 3.07Å; T135-I139 VanDerWaalsContact OG1-CG2 3.27Å; T135-I139 WeakPolarHBondContact OG1-CG2 3.39Å; T135-C140 WeakPolarHBondContact CG2-SG 3.25Å; T135-F147 HydrophobicContact CG2-CE1 4.01Å; T135-F147 HydrophobicContact CG2-CZ 3.92Å
136T92.9Very high89.6Confident5 Ų545 Ų453%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-105.9160.6176.473.70000113.6C88 L90 I93 E138 I139 C140C88-T136 WeakPolarHBondContact O-CA 3.34Å; L90-T136 HydrophobicContact CB-CG2 4.1Å; L90-T136 HydrophobicContact CD1-CG2 4.05Å; I93-T136 HydrophobicContact CD1-CG2 3.2Å; I93-T136 HydrophobicContact CG1-CG2 4.12Å; T136-E138 VanDerWaalsContact C-N 3.29Å; T136-E138 WeakPolarHBondContact CB-OE2 3.45Å; T136-E138 PolarHBondContact O-N 2.98Å; T136-E138 PolarHBondContact OG1-OE2 3.21Å; T136-E138 VanDerWaalsContact OG1-OE2 3.08Å; T136-I139 PolarHBondContact O-N 3.24Å; T136-I139 WeakPolarHBondContact OG1-CG1 3.42Å; T136-I139 PolarHBondContact OG1-N 3.23Å; T136-C140 WeakPolarHBondContact O-CB 3.4Å; T136-C140 PolarHBondContact O-N 3.31Å
137Y91Very high89.8Confident5 Ų543.5 Ų43.52%0.0223%0.231CC..Hα-helixtrans-48.8-46.4172.2-70.5-80.4000113.5V87 P89 C140 I141 V157 D158 E159 R162 I170V87-Y137 HydrophobicContact CG1-CD1 3.85Å; V87-Y137 HydrophobicContact CG1-CD2 4.35Å; V87-Y137 HydrophobicContact CG1-CE1 4.03Å; V87-Y137 HydrophobicContact CG1-CG 4.03Å; P89-Y137 HydrophobicContact CG-CE2 4.08Å; Y137-C140 VanDerWaalsContact O-CB 3.28Å; Y137-C140 WeakPolarHBondContact O-CB 3.28Å; Y137-I141 PolarHBondContact O-N 3.35Å; Y137-V157 HydrophobicContact CE1-CG1 3.8Å; Y137-V157 WeakPolarHBondContact OH-CG1 3.37Å; Y137-D158 PolarHBondContact OH-O 3.47Å; Y137-E159 PolarHBondContact OH-O 3.1Å; Y137-R162 HydrophobicContact CD1-CB 4.44Å; Y137-R162 HydrophobicContact CE1-CB 3.98Å; Y137-I170 HydrophobicContact CD1-CD1 3.54Å; Y137-I170 HydrophobicContact CD1-CG1 3.85Å; Y137-I170 HydrophobicContact CG-CD1 4.13Å; Y137-I170 WeakPolarHBondContact O-CD1 3.42Å
138E90.6Very high90.1Very high81 Ų8143.4 Ų43.438%0.37923%0.226SC..Hα-helixtrans-73.2-36.8-175.1-56.175.1-161.600111.7T136 I141 N142 R162T136-E138 VanDerWaalsContact C-N 3.29Å; T136-E138 WeakPolarHBondContact CB-OE2 3.45Å; T136-E138 PolarHBondContact O-N 2.98Å; T136-E138 PolarHBondContact OG1-OE2 3.21Å; T136-E138 VanDerWaalsContact OG1-OE2 3.08Å; E138-I141 PolarHBondContact O-N 3.38Å; E138-N142 VanDerWaalsContact O-CG 3.27Å; E138-N142 PolarHBondContact O-N 2.9Å; E138-N142 PolarHBondContact O-ND2 2.78Å; E138-R162 IonicContact OE1-CZ 3.04Å; E138-R162 IonicContact OE1-NH1 3.61Å; E138-R162 PolarHBondContact OE1-NH1 2.93Å; E138-R162 IonicContact OE1-NH2 2.77Å
139I92.4Very high90.6Very high18 Ų1838.8 Ų38.89%0.09221%0.214CC..Hα-helixtrans-68.6-39.2177.9-70.9174.7000111.1Y112 I113 T135 T136 I141 N142 D143 F147Y112-I139 HydrophobicContact CD1-CG2 3.47Å; Y112-I139 VanDerWaalsContact CD1-CG2 3.47Å; Y112-I139 HydrophobicContact CE1-CG2 3.54Å; Y112-I139 WeakPolarHBondContact O-CD1 3.28Å; I113-I139 HydrophobicContact CB-CD1 4.2Å; I113-I139 HydrophobicContact CG2-CD1 4.02Å; T135-I139 VanDerWaalsContact OG1-CG2 3.27Å; T135-I139 WeakPolarHBondContact OG1-CG2 3.39Å; T136-I139 PolarHBondContact O-N 3.24Å; T136-I139 WeakPolarHBondContact OG1-CG1 3.42Å; T136-I139 PolarHBondContact OG1-N 3.23Å; I139-I141 VanDerWaalsContact C-N 3.28Å; I139-I141 PolarHBondContact O-N 3.45Å; I139-N142 PolarHBondContact O-N 2.9Å; I139-D143 PolarHBondContact O-N 3.39Å; I139-F147 HydrophobicContact CG2-CE2 4.33Å; I139-F147 HydrophobicContact CG2-CZ 4.29Å
140C91.6Very high90.9Very high0 Ų035.9 Ų35.90%019%0.193CC..Hα-helixtrans-49.8-47.6171.6-95.90000112T135 T136 Y137 E144 I170 M173T135-C140 WeakPolarHBondContact CG2-SG 3.25Å; T136-C140 WeakPolarHBondContact O-CB 3.4Å; T136-C140 PolarHBondContact O-N 3.31Å; Y137-C140 VanDerWaalsContact O-CB 3.28Å; Y137-C140 WeakPolarHBondContact O-CB 3.28Å; C140-E144 PolarHBondContact O-N 2.71Å; C140-I170 HydrophobicContact CB-CD1 4.25Å; C140-M173 HydrophobicContact CB-CE 3.27Å; C140-M173 VanDerWaalsContact O-CE 3.23Å; C140-M173 WeakPolarHBondContact O-CE 3.41Å
141I90.8Very high91Very high55 Ų5542 Ų4228%0.28222%0.217SC..Hα-helixtrans-69.2-48.7177.6-60.1168.3000110.7Y137 E138 I139 D143 Q169 I170Y137-I141 PolarHBondContact O-N 3.35Å; E138-I141 PolarHBondContact O-N 3.38Å; I139-I141 VanDerWaalsContact C-N 3.28Å; I139-I141 PolarHBondContact O-N 3.45Å; I141-D143 VanDerWaalsContact C-N 3.32Å; I141-D143 PolarHBondContact O-N 3.36Å; I141-Q169 HydrophobicContact CD1-CB 4.46Å; I141-I170 HydrophobicContact CD1-CB 4.2Å; I141-I170 HydrophobicContact CD1-CD1 4.19Å; I141-I170 HydrophobicContact CG1-CB 4.43Å; I141-I170 HydrophobicContact CG1-CD1 4.03Å
142N90.9Very high91.1Very high115 Ų11539.3 Ų39.362%0.61521%0.205SC*.Hα-helixtrans-65.1-33.9-172.8-72.2-27.2000113.6E138 I139E138-N142 VanDerWaalsContact O-CG 3.27Å; E138-N142 PolarHBondContact O-N 2.9Å; E138-N142 PolarHBondContact O-ND2 2.78Å; I139-N142 PolarHBondContact O-N 2.9Å
143D91.2Very high91Very high15 Ų1541.7 Ų41.78%0.0822%0.217CC..THydrogen-bonded Turntrans-117.432.5-174.9-78.439.8000112.5Y112 R119 R123 I139 I141 A145 F146 F147Y112-D143 HydrophobicContact CE1-CB 4.36Å; Y112-D143 PolarHBondContact OH-OD2 2.92Å; R119-D143 VanDerWaalsContact CZ-CG 3.47Å; R119-D143 IonicContact CZ-OD1 3.88Å; R119-D143 IonicContact CZ-OD2 3.79Å; R119-D143 IonicContact NH1-OD1 3.46Å; R119-D143 PolarHBondContact NH1-OD1 3.17Å; R119-D143 IonicContact NH1-OD2 3.68Å; R119-D143 PolarHBondContact NH1-OD2 3.49Å; R119-D143 IonicContact NH2-OD1 2.76Å; R119-D143 PolarHBondContact NH2-OD1 3.44Å; R119-D143 IonicContact NH2-OD2 2.88Å; R123-D143 IonicContact CZ-OD2 2.76Å; R123-D143 VanDerWaalsContact CZ-OD2 3.28Å; R123-D143 IonicContact NH1-OD2 3.75Å; R123-D143 PolarHBondContact NH1-OD2 3.09Å; R123-D143 IonicContact NH2-OD2 3.72Å; I139-D143 PolarHBondContact O-N 3.39Å; I141-D143 VanDerWaalsContact C-N 3.32Å; I141-D143 PolarHBondContact O-N 3.36Å; D143-A145 PolarHBondContact O-N 3.17Å; D143-A145 VanDerWaalsContact O-N 3.07Å; D143-F146 WeakPolarHBondContact O-CB 3.46Å; D143-F146 PolarHBondContact O-N 3.47Å; D143-F147 HydrophobicContact CB-CE2 4.23Å; D143-F147 VanDerWaalsContact O-CD2 3.24Å; D143-F147 WeakPolarHBondContact O-CD2 3.4Å; D143-F147 PolarHBondContact O-N 2.79Å
144E89.4Confident91Very high63 Ų6342 Ų4229%0.29422%0.219SC..Hα-helixtrans-44-43.2177.4176.4-177163.800113.3C140 F146 F147 K148 M173 T177C140-E144 PolarHBondContact O-N 2.71Å; E144-F146 PolarHBondContact O-N 2.85Å; E144-F147 PolarHBondContact O-N 2.91Å; E144-F147 VanDerWaalsContact O-N 3.11Å; E144-K148 HydrophobicContact CG-CD 4.17Å; E144-K148 HydrophobicContact CG-CG 4.42Å; E144-K148 PolarHBondContact O-N 3.48Å; E144-K148 WeakPolarHBondContact OE1-CE 3.43Å; E144-K148 IonicContact OE1-NZ 3.34Å; E144-K148 PolarHBondContact OE1-NZ 3Å; E144-M173 HydrophobicContact CB-CG 4Å; E144-M173 HydrophobicContact CB-SD 4.5Å; E144-M173 HydrophobicContact CG-CG 3.68Å; E144-M173 HydrophobicContact CG-SD 4.26Å; E144-T177 HydrophobicContact CG-CG2 4.12Å
145A89.4Confident91Very high78 Ų7842 Ų4265%0.64522%0.219SC*.Hα-helixtrans-58.2-34.8-179.500000113.1D143 T149D143-A145 PolarHBondContact O-N 3.17Å; D143-A145 VanDerWaalsContact O-N 3.07Å; A145-T149 WeakPolarHBondContact O-CG2 3.43Å
146F90Very high91.1Very high20 Ų2042 Ų429%0.08822%0.219CC..Hα-helixtrans-72-45.2175.6169.3-110.9000111Y112 R123 Y126 L133 D143 E144 K148 T149Y112-F146 HydrophobicContact CE1-CD1 4.35Å; Y112-F146 HydrophobicContact CE2-CE1 4.43Å; R123-F146 HydrophobicContact CB-CD2 4.44Å; R123-F146 HydrophobicContact CB-CE2 4.39Å; R123-F146 HydrophobicContact CG-CD1 4.28Å; R123-F146 HydrophobicContact CG-CD2 3.66Å; R123-F146 HydrophobicContact CG-CE1 4.43Å; R123-F146 HydrophobicContact CG-CE2 3.84Å; R123-F146 HydrophobicContact CG-CG 3.89Å; R123-F146 HydrophobicContact CG-CZ 4.22Å; Y126-F146 HydrophobicContact CD1-CE2 4.18Å; Y126-F146 HydrophobicContact CD1-CZ 4.08Å; Y126-F146 HydrophobicContact CD2-CZ 4.26Å; Y126-F146 HydrophobicContact CG-CE2 4.31Å; Y126-F146 AromaticContact CG-CZ 3.91Å; Y126-F146 HydrophobicContact CG-CZ 3.91Å; L133-F146 HydrophobicContact CD2-CE1 3.98Å; D143-F146 WeakPolarHBondContact O-CB 3.46Å; D143-F146 PolarHBondContact O-N 3.47Å; E144-F146 PolarHBondContact O-N 2.85Å; F146-K148 PolarHBondContact O-N 3.26Å; F146-T149 WeakPolarHBondContact O-CB 3.42Å; F146-T149 PolarHBondContact O-N 3.36Å; F146-T149 PolarHBondContact O-OG1 3.27Å
147F90.6Very high91.1Very high0 Ų041.8 Ų41.80%022%0.217CC..Hα-helixtrans-63.2-32.1179.5-65.6-76.2000112.3L85 Y112 L133 T135 I139 D143 E144 T149 V150 W152L85-F147 HydrophobicContact CD1-CD1 4.07Å; L85-F147 HydrophobicContact CD1-CE1 3.79Å; L85-F147 HydrophobicContact CD2-CD1 4.33Å; Y112-F147 AromaticContact CD1-CZ 3.87Å; Y112-F147 HydrophobicContact CD1-CZ 3.87Å; Y112-F147 HydrophobicContact CE1-CE2 4.38Å; Y112-F147 HydrophobicContact CE1-CZ 4.15Å; L133-F147 HydrophobicContact CD2-CD1 4.27Å; L133-F147 HydrophobicContact CD2-CE1 3.64Å; T135-F147 HydrophobicContact CG2-CE1 4.01Å; T135-F147 HydrophobicContact CG2-CZ 3.92Å; I139-F147 HydrophobicContact CG2-CE2 4.33Å; I139-F147 HydrophobicContact CG2-CZ 4.29Å; D143-F147 HydrophobicContact CB-CE2 4.23Å; D143-F147 VanDerWaalsContact O-CD2 3.24Å; D143-F147 WeakPolarHBondContact O-CD2 3.4Å; D143-F147 PolarHBondContact O-N 2.79Å; E144-F147 PolarHBondContact O-N 2.91Å; E144-F147 VanDerWaalsContact O-N 3.11Å; F147-T149 VanDerWaalsContact C-N 3.26Å; F147-T149 PolarHBondContact O-N 3.37Å; F147-V150 PolarHBondContact O-N 2.97Å; F147-W152 HydrophobicContact CD1-CZ2 4.28Å; F147-W152 PolarHBondContact O-NE1 3.34Å; F147-W152 VanDerWaalsContact O-NE1 3.15Å
148K89.1Confident91.2Very high97 Ų9742.1 Ų42.142%0.42222%0.219SC..THydrogen-bonded Turntrans-65-21.9171.2-75.6-175.2168.6173.90114.2E144 F146 E176 T177E144-K148 HydrophobicContact CG-CD 4.17Å; E144-K148 HydrophobicContact CG-CG 4.42Å; E144-K148 PolarHBondContact O-N 3.48Å; E144-K148 WeakPolarHBondContact OE1-CE 3.43Å; E144-K148 IonicContact OE1-NZ 3.34Å; E144-K148 PolarHBondContact OE1-NZ 3Å; F146-K148 PolarHBondContact O-N 3.26Å; K148-E176 IonicContact NZ-OE2 3.85Å; K148-E176 PolarHBondContact NZ-OE2 2.98Å; K148-T177 HydrophobicContact CD-CG2 4.15Å; K148-T177 HydrophobicContact CG-CG2 3.36Å
149T87.7Confident90.9Very high105 Ų10539.3 Ų39.364%0.64421%0.206SC*.THydrogen-bonded Turntrans-78.6-20.2-178.968.80000113.9A145 F146 F147A145-T149 WeakPolarHBondContact O-CG2 3.43Å; F146-T149 WeakPolarHBondContact O-CB 3.42Å; F146-T149 PolarHBondContact O-N 3.36Å; F146-T149 PolarHBondContact O-OG1 3.27Å; F147-T149 VanDerWaalsContact C-N 3.26Å; F147-T149 PolarHBondContact O-N 3.37Å
150V86.5Confident90.4Very high21 Ų2138.5 Ų38.513%0.12720%0.202CC..SBendtrans-108.3131.6-177.9-178.80000108.6Y126 F147 W152Y126-V150 HydrophobicContact CD1-CG2 4.41Å; Y126-V150 HydrophobicContact CE1-CG2 3.57Å; F147-V150 PolarHBondContact O-N 2.97Å; V150-W152 HydrophobicContact CB-CD2 4.44Å; V150-W152 HydrophobicContact CB-CH2 4.37Å; V150-W152 HydrophobicContact CB-CZ2 3.68Å; V150-W152 HydrophobicContact CG1-CD2 3.99Å; V150-W152 HydrophobicContact CG1-CE3 4.22Å; V150-W152 HydrophobicContact CG1-CH2 3.91Å; V150-W152 HydrophobicContact CG1-CZ2 3.66Å; V150-W152 HydrophobicContact CG1-CZ3 4.19Å; V150-W152 HydrophobicContact CG2-CZ2 4.15Å; V150-W152 VanDerWaalsContact O-CD1 3.26Å; V150-W152 PolarHBondContact O-N 2.66Å; V150-W152 PolarHBondContact O-NE1 2.97Å
151Y89.2Confident89.7Confident147 Ų14741.4 Ų41.458%0.57622%0.216SC*.  trans-81.2112.4170.8-174.9-95.4000109.3T83 P179T83-Y151 PolarHBondContact OG1-O 3.29Å; Y151-P179 HydrophobicContact CD2-CG 4.29Å; Y151-P179 HydrophobicContact CE2-CG 3.66Å
152W91.6Very high89.1Confident0 Ų043.7 Ų43.70%022%0.221CC..  trans-91.4116.9179.6-58.3101.9000110.8T83 L85 L133 F147 V150T83-W152 WeakPolarHBondContact OG1-CA 3.43Å; L85-W152 HydrophobicContact CB-CD2 3.79Å; L85-W152 HydrophobicContact CB-CE3 3.71Å; L85-W152 HydrophobicContact CB-CG 4.14Å; L85-W152 HydrophobicContact CB-CZ3 4.25Å; L85-W152 HydrophobicContact CD1-CZ2 4.43Å; L85-W152 HydrophobicContact CD2-CD2 4.47Å; L85-W152 HydrophobicContact CD2-CG 4.44Å; L133-W152 HydrophobicContact CB-CH2 3.5Å; L133-W152 VanDerWaalsContact CB-CH2 3.5Å; L133-W152 HydrophobicContact CB-CZ2 4.48Å; L133-W152 HydrophobicContact CB-CZ3 3.81Å; L133-W152 HydrophobicContact CD2-CH2 3.44Å; L133-W152 VanDerWaalsContact CD2-CH2 3.44Å; L133-W152 HydrophobicContact CD2-CZ2 3.67Å; L133-W152 HydrophobicContact CD2-CZ3 4.5Å; L133-W152 HydrophobicContact CG-CH2 4.07Å; F147-W152 HydrophobicContact CD1-CZ2 4.28Å; F147-W152 PolarHBondContact O-NE1 3.34Å; F147-W152 VanDerWaalsContact O-NE1 3.15Å; V150-W152 HydrophobicContact CB-CD2 4.44Å; V150-W152 HydrophobicContact CB-CH2 4.37Å; V150-W152 HydrophobicContact CB-CZ2 3.68Å; V150-W152 HydrophobicContact CG1-CD2 3.99Å; V150-W152 HydrophobicContact CG1-CE3 4.22Å; V150-W152 HydrophobicContact CG1-CH2 3.91Å; V150-W152 HydrophobicContact CG1-CZ2 3.66Å; V150-W152 HydrophobicContact CG1-CZ3 4.19Å; V150-W152 HydrophobicContact CG2-CZ2 4.15Å; V150-W152 VanDerWaalsContact O-CD1 3.26Å; V150-W152 PolarHBondContact O-N 2.66Å; V150-W152 PolarHBondContact O-NE1 2.97Å
153N92.5Very high88.7Confident51 Ų5138.2 Ų38.227%0.27319%0.192SC..SBendtrans-72.7-38.5176-64.6108.2000111.9N81 S82 T83 G180 I181N81-N153 PolarHBondContact O-OD1 2.85Å; S82-N153 WeakPolarHBondContact CA-OD1 3.44Å; T83-N153 PolarHBondContact N-OD1 3.39Å; T83-N153 PolarHBondContact O-N 3.48Å; T83-N153 PolarHBondContact OG1-N 2.79Å; T83-N153 VanDerWaalsContact OG1-N 3.09Å; T83-N153 PolarHBondContact OG1-OD1 2.86Å; N153-G180 CarbonylContact O-C 3.54Å; N153-G180 WeakPolarHBondContact O-CA 3.33Å; N153-I181 PolarHBondContact O-N 2.89Å
154Y94.9Very high88.1Confident7 Ų738.8 Ų38.83%0.02719%0.193CC..EExtended strand (participates in β ladder)trans-131.4135.1-177.7-58.9-83.9000110.9D48 F71 V75 K79 T83 F84 L85 I181 F183D48-Y154 HydrophobicContact CB-CE1 4.47Å; D48-Y154 VanDerWaalsContact CG-OH 3.22Å; D48-Y154 WeakPolarHBondContact OD1-CE1 3.41Å; D48-Y154 VanDerWaalsContact OD1-CZ 3.26Å; D48-Y154 PolarHBondContact OD1-OH 3.47Å; D48-Y154 PolarHBondContact OD2-OH 3.46Å; F71-Y154 HydrophobicContact CE1-CD1 4.28Å; F71-Y154 HydrophobicContact CZ-CD1 4.13Å; F71-Y154 HydrophobicContact CZ-CE1 4.02Å; V75-Y154 HydrophobicContact CG1-CD2 4.49Å; V75-Y154 HydrophobicContact CG1-CE2 3.61Å; K79-Y154 PolarHBondContact NZ-OH 3.39Å; T83-Y154 PolarHBondContact O-N 3.4Å; F84-Y154 WeakPolarHBondContact CA-O 3.33Å; F84-Y154 VanDerWaalsContact CD1-CB 3.45Å; F84-Y154 AromaticContact CD1-CD2 3.76Å; F84-Y154 HydrophobicContact CD1-CD2 3.76Å; F84-Y154 AromaticContact CD1-CG 3.8Å; F84-Y154 HydrophobicContact CD1-CG 3.8Å; F84-Y154 HydrophobicContact CE1-CD1 4.42Å; F84-Y154 AromaticContact CE1-CD2 3.33Å; F84-Y154 HydrophobicContact CE1-CD2 3.33Å; F84-Y154 HydrophobicContact CE1-CE2 4.03Å; F84-Y154 AromaticContact CE1-CG 3.59Å; F84-Y154 HydrophobicContact CE1-CG 3.59Å; F84-Y154 HydrophobicContact CE2-CD2 4.44Å; F84-Y154 HydrophobicContact CG-CD2 4.45Å; F84-Y154 AromaticContact CZ-CD2 3.72Å; F84-Y154 HydrophobicContact CZ-CD2 3.72Å; F84-Y154 HydrophobicContact CZ-CE2 4.09Å; F84-Y154 HydrophobicContact CZ-CG 4.42Å; L85-Y154 PolarHBondContact N-O 3Å; Y154-I181 CarbonylContact C-O 3.55Å; Y154-I181 VanDerWaalsContact CA-O 3.28Å; Y154-I181 WeakPolarHBondContact CA-O 3.42Å; Y154-I181 HydrophobicContact CD1-CB 3.9Å; Y154-I181 HydrophobicContact CD1-CG2 4.27Å; Y154-I181 HydrophobicContact CE1-CB 4.04Å; Y154-I181 HydrophobicContact CE1-CD1 4Å; Y154-I181 HydrophobicContact CE1-CG1 4.5Å; Y154-I181 HydrophobicContact CE1-CG2 4.41Å; Y154-F183 HydrophobicContact CD1-CE2 4.24Å
155V94.7Very high87.8Confident0 Ų039.6 Ų39.60%020%0.2CC..EExtended strand (participates in β ladder)trans-117.8129.4168.6-169.60000109L85 V157 C178 I181 R182 F183L85-V155 HydrophobicContact CB-CG1 4.5Å; L85-V155 HydrophobicContact CD2-CG1 4.37Å; L85-V155 CarbonylContact O-C 3.57Å; L85-V155 WeakPolarHBondContact O-CA 3.28Å; V155-V157 HydrophobicContact CG1-CG2 3.91Å; V155-C178 HydrophobicContact CG2-CB 3.25Å; V155-I181 PolarHBondContact N-O 3.37Å; V155-R182 HydrophobicContact CB-CG 4.01Å; V155-R182 HydrophobicContact CG2-CG 4.13Å; V155-R182 CarbonylContact O-C 3.55Å; V155-R182 WeakPolarHBondContact O-CA 3.43Å; V155-F183 PolarHBondContact O-N 2.92Å
156I95.6Very high87.6Confident0 Ų036.7 Ų36.70%017%0.174CC..EExtended strand (participates in β ladder)trans-116118.7174.9-65.5149.5000106.8V68 I72 F84 L85 I86 V87 W96 F183 L185V68-I156 HydrophobicContact CG1-CD1 3.39Å; V68-I156 HydrophobicContact CG1-CG1 3.95Å; V68-I156 HydrophobicContact CG1-CG2 3.93Å; I72-I156 HydrophobicContact CD1-CD1 3.72Å; I72-I156 HydrophobicContact CG1-CD1 3.99Å; F84-I156 HydrophobicContact CD1-CD1 4.39Å; L85-I156 PolarHBondContact O-N 2.97Å; I86-I156 CarbonylContact C-O 3.53Å; I86-I156 WeakPolarHBondContact CA-O 3.38Å; I86-I156 HydrophobicContact CG1-CB 4.29Å; I86-I156 HydrophobicContact CG1-CD1 4.1Å; I86-I156 HydrophobicContact CG2-CG2 4.42Å; V87-I156 PolarHBondContact N-O 3.42Å; W96-I156 HydrophobicContact CH2-CG2 4.43Å; I156-F183 CarbonylContact C-O 3.54Å; I156-F183 WeakPolarHBondContact CA-O 3.38Å; I156-F183 HydrophobicContact CG1-CB 4.45Å; I156-L185 HydrophobicContact CG2-CD1 3.81Å; I156-L185 HydrophobicContact CG2-CD2 4.5Å; I156-L185 HydrophobicContact CG2-CG 4.08Å
157V94Very high87.4Confident0 Ų041.9 Ų41.90%020%0.203CC..EExtended strand (participates in β ladder)trans-110.2110.3178.4-175.50000108.9V87 Y137 V155 L163 L174 F183 I184 L185 F203V87-V157 WeakPolarHBondContact O-CA 3.29Å; Y137-V157 HydrophobicContact CE1-CG1 3.8Å; Y137-V157 WeakPolarHBondContact OH-CG1 3.37Å; V155-V157 HydrophobicContact CG1-CG2 3.91Å; V157-L163 HydrophobicContact CB-CD1 4.26Å; V157-L163 HydrophobicContact CG1-CD1 3.83Å; V157-L163 HydrophobicContact CG1-CG 4.44Å; V157-L163 HydrophobicContact CG2-CD1 4.15Å; V157-L174 HydrophobicContact CG2-CD1 4.13Å; V157-F183 PolarHBondContact N-O 3.36Å; V157-I184 HydrophobicContact CB-CG1 4.38Å; V157-I184 WeakPolarHBondContact O-CA 3.35Å; V157-L185 PolarHBondContact O-N 3.23Å; V157-F203 HydrophobicContact CG2-CE1 4.23Å; V157-F203 HydrophobicContact CG2-CZ 4.49Å
158D92Very high87.2Confident11 Ų1144 Ų446%0.05922%0.216CC..EExtended strand (participates in β ladder)trans-89.3139.1178.4-169.223.2000111.6V87 C88 W96 Y137 G160 L185V87-D158 PolarHBondContact O-N 3.11Å; C88-D158 HydrophobicContact CB-CB 3.76Å; W96-D158 HydrophobicContact CZ2-CB 4.15Å; W96-D158 PolarHBondContact NE1-OD2 3.3Å; Y137-D158 PolarHBondContact OH-O 3.47Å; D158-G160 VanDerWaalsContact C-N 3.28Å; D158-G160 PolarHBondContact O-N 2.8Å; D158-L185 HydrophobicContact CB-CD1 4.23Å
159E85.3Confident87.1Confident23 Ų2346.2 Ų46.211%0.10723%0.228CC..THydrogen-bonded Turntrans5444.2-168.2-65.6-65.1166.400112.2P89 Y137 H161 R162 L185P89-E159 HydrophobicContact CG-CB 3.86Å; P89-E159 HydrophobicContact CG-CG 4.1Å; Y137-E159 PolarHBondContact OH-O 3.1Å; E159-H161 PolarHBondContact O-N 2.88Å; E159-H161 PolarHBondContact O-ND1 3.26Å; E159-H161 IonicContact OE2-CE1 2.78Å; E159-H161 PolarHBondContact OE2-CE1 3.11Å; E159-H161 VanDerWaalsContact OE2-CE1 3.28Å; E159-H161 IonicContact OE2-ND1 2.8Å; E159-H161 PolarHBondContact OE2-ND1 3.31Å; E159-H161 VanDerWaalsContact OE2-ND1 3.11Å; E159-R162 PolarHBondContact O-N 3.3Å; E159-L185 WeakPolarHBondContact CA-O 3.43Å; E159-L185 PolarHBondContact N-O 3.24Å
160G81.1Confident87.2Confident1 Ų141.9 Ų41.91%0.0120%0.201CC..G310 helixtrans-67.19.3-174.100000115.7D158 R162 L163 L185D158-G160 VanDerWaalsContact C-N 3.28Å; D158-G160 PolarHBondContact O-N 2.8Å; G160-R162 PolarHBondContact O-N 3.21Å; G160-R162 VanDerWaalsContact O-N 3.1Å; G160-L163 WeakPolarHBondContact O-CB 3.48Å; G160-L163 PolarHBondContact O-N 3.17Å; G160-L185 PolarHBondContact N-O 3.01Å; G160-L185 VanDerWaalsContact N-O 3.12Å
161H76.2Confident87.4Confident60 Ų6041.3 Ų41.328%0.27820%0.196SC..G310 helixtrans-58.4-15.516568.1-101.1000112.2E159 L163 K164E159-H161 PolarHBondContact O-N 2.88Å; E159-H161 PolarHBondContact O-ND1 3.26Å; E159-H161 IonicContact OE2-CE1 2.78Å; E159-H161 PolarHBondContact OE2-CE1 3.11Å; E159-H161 VanDerWaalsContact OE2-CE1 3.28Å; E159-H161 IonicContact OE2-ND1 2.8Å; E159-H161 PolarHBondContact OE2-ND1 3.31Å; E159-H161 VanDerWaalsContact OE2-ND1 3.11Å; H161-L163 PolarHBondContact O-N 2.82Å; H161-K164 WeakPolarHBondContact O-CD 3.38Å; H161-K164 WeakPolarHBondContact O-CG 3.49Å
162R78.7Confident87.4Confident104 Ų10436.4 Ų36.439%0.39219%0.186SC..G310 helixtrans-66.1-18168.6-69.4-171.1171.9-161.5-3.7114.2Y137 E138 E159 G160Y137-R162 HydrophobicContact CD1-CB 4.44Å; Y137-R162 HydrophobicContact CE1-CB 3.98Å; E138-R162 IonicContact OE1-CZ 3.04Å; E138-R162 IonicContact OE1-NH1 3.61Å; E138-R162 PolarHBondContact OE1-NH1 2.93Å; E138-R162 IonicContact OE1-NH2 2.77Å; E159-R162 PolarHBondContact O-N 3.3Å; G160-R162 PolarHBondContact O-N 3.21Å; G160-R162 VanDerWaalsContact O-N 3.1Å
163L83.6Confident87.3Confident0 Ų036.7 Ų36.70%019%0.188CC..G310 helixtrans-94.38.4-178.1-62.3177.4000114.3V157 G160 H161 N165 I170 Y171 L174 I184 L200 F203V157-L163 HydrophobicContact CB-CD1 4.26Å; V157-L163 HydrophobicContact CG1-CD1 3.83Å; V157-L163 HydrophobicContact CG1-CG 4.44Å; V157-L163 HydrophobicContact CG2-CD1 4.15Å; G160-L163 WeakPolarHBondContact O-CB 3.48Å; G160-L163 PolarHBondContact O-N 3.17Å; H161-L163 PolarHBondContact O-N 2.82Å; L163-N165 PolarHBondContact O-N 2.62Å; L163-I170 HydrophobicContact CD2-CG1 4.21Å; L163-I170 HydrophobicContact CD2-CG2 3.91Å; L163-Y171 HydrophobicContact CB-CD2 4.37Å; L163-L174 HydrophobicContact CD1-CD1 4.47Å; L163-L174 HydrophobicContact CD2-CD1 4.18Å; L163-I184 HydrophobicContact CD1-CD1 4.05Å; L163-I184 HydrophobicContact CD1-CG1 4.48Å; L163-L200 HydrophobicContact CB-CD2 4.01Å; L163-F203 HydrophobicContact CD1-CD1 3.91Å; L163-F203 HydrophobicContact CD1-CD2 4.42Å; L163-F203 HydrophobicContact CD1-CE1 3.56Å; L163-F203 HydrophobicContact CD1-CE2 4.14Å; L163-F203 HydrophobicContact CD1-CG 4.3Å; L163-F203 HydrophobicContact CD1-CZ 3.68Å
164K78.9Confident87.2Confident26 Ų2634.3 Ų34.311%0.11318%0.175CC..SBendtrans-56.6-34.8-178.2-75.3167.4167.4-160.40114.4H161 Q191 E196 N199H161-K164 WeakPolarHBondContact O-CD 3.38Å; H161-K164 WeakPolarHBondContact O-CG 3.49Å; K164-Q191 VanDerWaalsContact NZ-CB 3.34Å; K164-Q191 VanDerWaalsContact NZ-CD 3.27Å; K164-E196 HydrophobicContact CB-CB 4.16Å; K164-E196 HydrophobicContact CB-CG 3.96Å; K164-E196 HydrophobicContact CD-CG 4.47Å; K164-E196 WeakPolarHBondContact CD-OE2 3.09Å; K164-E196 WeakPolarHBondContact CE-OE2 3.17Å; K164-E196 HydrophobicContact CG-CB 4.17Å; K164-E196 HydrophobicContact CG-CG 4.24Å; K164-E196 IonicContact NZ-OE1 3.69Å; K164-E196 IonicContact NZ-OE2 3.93Å; K164-E196 PolarHBondContact NZ-OE2 3.1Å; K164-N199 WeakPolarHBondContact O-CB 3.41Å; K164-N199 PolarHBondContact O-ND2 2.81Å
165N82.2Confident86.9Confident80 Ų8036.8 Ų36.843%0.42819%0.189SC..  trans-104.3114.5-178.7-177.8-5.6000109.9L163 N167 T168L163-N165 PolarHBondContact O-N 2.62Å; N165-N167 PolarHBondContact O-N 2.91Å; N165-N167 VanDerWaalsContact OD1-CB 3.31Å; N165-N167 WeakPolarHBondContact OD1-CB 3.29Å; N165-N167 PolarHBondContact OD1-N 3.32Å; N165-N167 PolarHBondContact OD1-ND2 2.92Å; N165-T168 HydrophobicContact CB-CG2 3.89Å; N165-T168 WeakPolarHBondContact O-CB 3.43Å; N165-T168 WeakPolarHBondContact O-CG2 3.42Å; N165-T168 PolarHBondContact O-N 3.23Å; N165-T168 VanDerWaalsContact O-N 3.15Å; N165-T168 PolarHBondContact O-OG1 3.45Å
166S84.5Confident86.5Confident17 Ų1742.7 Ų42.712%0.11922%0.216CC..THydrogen-bonded Turntrans-67.2-12.7-179.459.40000114.1T168 N199S166-T168 VanDerWaalsContact C-N 3.31Å; S166-N199 PolarHBondContact OG-OD1 2.82Å
167N85.8Confident85.8Confident130 Ų13043.1 Ų43.170%0.69522%0.219SC*.THydrogen-bonded Turntrans-84-4175.4-59.6-39.2000113.4N165N165-N167 PolarHBondContact O-N 2.91Å; N165-N167 VanDerWaalsContact OD1-CB 3.31Å; N165-N167 WeakPolarHBondContact OD1-CB 3.29Å; N165-N167 PolarHBondContact OD1-N 3.32Å; N165-N167 PolarHBondContact OD1-ND2 2.92Å
168T86.9Confident85.2Confident43 Ų4343.1 Ų43.126%0.26422%0.219SC..SBendtrans-73.4143.3179.759.20000111.4N165 S166 I170 Y171 A172N165-T168 HydrophobicContact CB-CG2 3.89Å; N165-T168 WeakPolarHBondContact O-CB 3.43Å; N165-T168 WeakPolarHBondContact O-CG2 3.42Å; N165-T168 PolarHBondContact O-N 3.23Å; N165-T168 VanDerWaalsContact O-N 3.15Å; N165-T168 PolarHBondContact O-OG1 3.45Å; S166-T168 VanDerWaalsContact C-N 3.31Å; T168-I170 PolarHBondContact O-N 3.41Å; T168-I170 WeakPolarHBondContact OG1-CG2 3.23Å; T168-Y171 WeakPolarHBondContact O-CB 3.39Å; T168-Y171 PolarHBondContact O-N 3.27Å; T168-Y171 VanDerWaalsContact O-N 3.08Å; T168-Y171 WeakPolarHBondContact OG1-CB 3.45Å; T168-A172 PolarHBondContact O-N 3.15Å
169Q87Confident84.7Confident144 Ų14446.3 Ų46.367%0.67324%0.24SC*.Hα-helixtrans-58.4-35.6179-69.2179.2-7.300112.4I141 A172 M173I141-Q169 HydrophobicContact CD1-CB 4.46Å; Q169-A172 PolarHBondContact O-N 2.99Å; Q169-M173 VanDerWaalsContact O-CB 3.28Å; Q169-M173 WeakPolarHBondContact O-CB 3.32Å; Q169-M173 PolarHBondContact O-N 3.19Å
170I89.7Confident84.8Confident14 Ų1445.9 Ų45.97%0.07224%0.242CC..Hα-helixtrans-63.2-41.7176.5-170100.7000112Y137 C140 I141 L163 T168 M173 L174Y137-I170 HydrophobicContact CD1-CD1 3.54Å; Y137-I170 HydrophobicContact CD1-CG1 3.85Å; Y137-I170 HydrophobicContact CG-CD1 4.13Å; Y137-I170 WeakPolarHBondContact O-CD1 3.42Å; C140-I170 HydrophobicContact CB-CD1 4.25Å; I141-I170 HydrophobicContact CD1-CB 4.2Å; I141-I170 HydrophobicContact CD1-CD1 4.19Å; I141-I170 HydrophobicContact CG1-CB 4.43Å; I141-I170 HydrophobicContact CG1-CD1 4.03Å; L163-I170 HydrophobicContact CD2-CG1 4.21Å; L163-I170 HydrophobicContact CD2-CG2 3.91Å; T168-I170 PolarHBondContact O-N 3.41Å; T168-I170 WeakPolarHBondContact OG1-CG2 3.23Å; I170-M173 PolarHBondContact O-N 2.79Å; I170-L174 HydrophobicContact CG1-CD1 4.07Å; I170-L174 HydrophobicContact CG1-CG 4.43Å; I170-L174 WeakPolarHBondContact O-CB 3.46Å; I170-L174 WeakPolarHBondContact O-CG 3.43Å; I170-L174 PolarHBondContact O-N 3.18Å
171Y90.7Very high85.4Confident9 Ų947.2 Ų47.24%0.03525%0.249CC..Hα-helixtrans-62.5-49178.3-174.4-75.5000110.1L163 T168 N175 N199 H202 F203L163-Y171 HydrophobicContact CB-CD2 4.37Å; T168-Y171 WeakPolarHBondContact O-CB 3.39Å; T168-Y171 PolarHBondContact O-N 3.27Å; T168-Y171 VanDerWaalsContact O-N 3.08Å; T168-Y171 WeakPolarHBondContact OG1-CB 3.45Å; Y171-N175 WeakPolarHBondContact O-CB 3.31Å; Y171-N175 PolarHBondContact O-N 3.08Å; Y171-N199 PolarHBondContact OH-O 3.42Å; Y171-H202 PolarHBondContact OH-CD2 2.94Å; Y171-F203 AromaticContact CD2-CD2 3.97Å; Y171-F203 HydrophobicContact CD2-CD2 3.97Å; Y171-F203 HydrophobicContact CE1-CD2 4.42Å; Y171-F203 HydrophobicContact CE2-CB 3.71Å; Y171-F203 AromaticContact CE2-CD2 3.7Å; Y171-F203 HydrophobicContact CE2-CD2 3.7Å; Y171-F203 HydrophobicContact CE2-CG 4.1Å; Y171-F203 HydrophobicContact CG-CD2 4.45Å; Y171-F203 AromaticContact CZ-CD2 3.9Å; Y171-F203 WeakPolarHBondContact OH-CA 3.09Å; Y171-F203 PolarHBondContact OH-N 3.01Å
172A89.8Confident86.2Confident44 Ų4444.7 Ų44.736%0.36424%0.237SC..Hα-helixtrans-59.7-48.2177.800000111.7T168 Q169 N175 E176T168-A172 PolarHBondContact O-N 3.15Å; Q169-A172 PolarHBondContact O-N 2.99Å; A172-N175 PolarHBondContact O-N 2.96Å; A172-E176 WeakPolarHBondContact O-CG 3.44Å; A172-E176 PolarHBondContact O-N 3.02Å
173M88.9Confident87Confident7 Ų739.9 Ų39.93%0.03422%0.219CC..Hα-helixtrans-60.9-49.9-178.9-167-74-64.900111.7C140 E144 Q169 I170 N175 E176 T177C140-M173 HydrophobicContact CB-CE 3.27Å; C140-M173 VanDerWaalsContact O-CE 3.23Å; C140-M173 WeakPolarHBondContact O-CE 3.41Å; E144-M173 HydrophobicContact CB-CG 4Å; E144-M173 HydrophobicContact CB-SD 4.5Å; E144-M173 HydrophobicContact CG-CG 3.68Å; E144-M173 HydrophobicContact CG-SD 4.26Å; Q169-M173 VanDerWaalsContact O-CB 3.28Å; Q169-M173 WeakPolarHBondContact O-CB 3.32Å; Q169-M173 PolarHBondContact O-N 3.19Å; I170-M173 PolarHBondContact O-N 2.79Å; M173-N175 VanDerWaalsContact C-N 3.33Å; M173-N175 PolarHBondContact O-N 3.25Å; M173-E176 PolarHBondContact O-N 3.42Å; M173-T177 HydrophobicContact CG-CG2 4.25Å; M173-T177 WeakPolarHBondContact O-CB 3.47Å; M173-T177 VanDerWaalsContact O-CG2 3.24Å; M173-T177 WeakPolarHBondContact O-CG2 3.24Å; M173-T177 PolarHBondContact O-N 3.15Å; M173-T177 PolarHBondContact O-OG1 2.71Å; M173-T177 HydrophobicContact SD-CG2 3.47Å; M173-T177 WeakPolarHBondContact SD-CG2 3.1Å; M173-T177 PolarHBondContact SD-OG1 3.39Å; M173-T177 VanDerWaalsContact SD-OG1 3.39Å
174L90.8Very high87.5Confident0 Ų039.9 Ų39.90%022%0.219CC..Hα-helixtrans-66.3-35.5180-69.2176.8000112.4V87 V157 L163 I170 C178 F203V87-L174 HydrophobicContact CG2-CD2 4.19Å; V157-L174 HydrophobicContact CG2-CD1 4.13Å; L163-L174 HydrophobicContact CD1-CD1 4.47Å; L163-L174 HydrophobicContact CD2-CD1 4.18Å; I170-L174 HydrophobicContact CG1-CD1 4.07Å; I170-L174 HydrophobicContact CG1-CG 4.43Å; I170-L174 WeakPolarHBondContact O-CB 3.46Å; I170-L174 WeakPolarHBondContact O-CG 3.43Å; I170-L174 PolarHBondContact O-N 3.18Å; L174-C178 WeakPolarHBondContact O-CB 3.35Å; L174-C178 PolarHBondContact O-N 3.41Å; L174-C178 VanDerWaalsContact O-N 3.15Å; L174-F203 HydrophobicContact CB-CE2 3.74Å; L174-F203 HydrophobicContact CB-CZ 3.7Å; L174-F203 HydrophobicContact CD1-CZ 3.97Å; L174-F203 HydrophobicContact CG-CZ 4.49Å
175N88.4Confident88.2Confident59 Ų5938.6 Ų38.632%0.31621%0.213SC..Hα-helixtrans-68.2-35.9177.9-165.344.5000112.2Y171 A172 M173Y171-N175 WeakPolarHBondContact O-CB 3.31Å; Y171-N175 PolarHBondContact O-N 3.08Å; A172-N175 PolarHBondContact O-N 2.96Å; M173-N175 VanDerWaalsContact C-N 3.33Å; M173-N175 PolarHBondContact O-N 3.25Å
176E86.4Confident88.3Confident125 Ų12534.9 Ų34.958%0.58419%0.193SC*.Hα-helixtrans-77.9-42.3176.8-73.8-177.3-16500113.5K148 A172 M173K148-E176 IonicContact NZ-OE2 3.85Å; K148-E176 PolarHBondContact NZ-OE2 2.98Å; A172-E176 WeakPolarHBondContact O-CG 3.44Å; A172-E176 PolarHBondContact O-N 3.02Å; M173-E176 PolarHBondContact O-N 3.42Å
177T80.4Confident87.8Confident8 Ų834.5 Ų34.55%0.04919%0.192CC..Hα-helixtrans-81.1-25.5-171.555.90000113.5E144 K148 M173 P179E144-T177 HydrophobicContact CG-CG2 4.12Å; K148-T177 HydrophobicContact CD-CG2 4.15Å; K148-T177 HydrophobicContact CG-CG2 3.36Å; M173-T177 HydrophobicContact CG-CG2 4.25Å; M173-T177 WeakPolarHBondContact O-CB 3.47Å; M173-T177 VanDerWaalsContact O-CG2 3.24Å; M173-T177 WeakPolarHBondContact O-CG2 3.24Å; M173-T177 PolarHBondContact O-N 3.15Å; M173-T177 PolarHBondContact O-OG1 2.71Å; M173-T177 HydrophobicContact SD-CG2 3.47Å; M173-T177 WeakPolarHBondContact SD-CG2 3.1Å; M173-T177 PolarHBondContact SD-OG1 3.39Å; M173-T177 VanDerWaalsContact SD-OG1 3.39Å; T177-P179 WeakPolarHBondContact O-CD 3.46Å
178C82.4Confident87Confident0 Ų029.9 Ų29.90%017%0.168CC..  trans-129.680.8-167.6-57.10000112.3V155 L174 G180 R182V155-C178 HydrophobicContact CG2-CB 3.25Å; L174-C178 WeakPolarHBondContact O-CB 3.35Å; L174-C178 PolarHBondContact O-N 3.41Å; L174-C178 VanDerWaalsContact O-N 3.15Å; C178-G180 PolarHBondContact O-N 3.37Å; C178-R182 PolarHBondContact O-NH1 3.02Å
179P81.5Confident85.8Confident78 Ų7828 Ų2851%0.50616%0.157SC..  trans-72.4-10.1-178.729.9-36.1000114.1Y151 T177Y151-P179 HydrophobicContact CD2-CG 4.29Å; Y151-P179 HydrophobicContact CE2-CG 3.66Å; T177-P179 WeakPolarHBondContact O-CD 3.46Å
180G87.4Confident84.6Confident15 Ų1522 Ų2216%0.15513%0.129CC..SBendtrans-66.3-167.6-178.200000115.7N153 C178 R182N153-G180 CarbonylContact O-C 3.54Å; N153-G180 WeakPolarHBondContact O-CA 3.33Å; C178-G180 PolarHBondContact O-N 3.37Å; G180-R182 PolarHBondContact O-NH1 3.11Å
181I92.9Very high83Confident28 Ų2823.2 Ų23.214%0.14414%0.135CC..EExtended strand (participates in β ladder)trans-75.2131.7179.7-63.7176.5000109.3D48 H52 N153 Y154 V155 F183D48-I181 VanDerWaalsContact OD1-CD1 3.29Å; D48-I181 WeakPolarHBondContact OD1-CD1 3.45Å; H52-I181 WeakPolarHBondContact O-CG2 3.16Å; N153-I181 PolarHBondContact O-N 2.89Å; Y154-I181 CarbonylContact C-O 3.55Å; Y154-I181 VanDerWaalsContact CA-O 3.28Å; Y154-I181 WeakPolarHBondContact CA-O 3.42Å; Y154-I181 HydrophobicContact CD1-CB 3.9Å; Y154-I181 HydrophobicContact CD1-CG2 4.27Å; Y154-I181 HydrophobicContact CE1-CB 4.04Å; Y154-I181 HydrophobicContact CE1-CD1 4Å; Y154-I181 HydrophobicContact CE1-CG1 4.5Å; Y154-I181 HydrophobicContact CE1-CG2 4.41Å; V155-I181 PolarHBondContact N-O 3.37Å; I181-F183 HydrophobicContact CG2-CD2 4.29Å; I181-F183 HydrophobicContact CG2-CE2 3.59Å; I181-F183 HydrophobicContact CG2-CZ 3.8Å
182R94.3Very high81.5Confident8 Ų824.1 Ų24.13%0.0314%0.14CC..EExtended strand (participates in β ladder)trans-117.8126-172.5-62.9-174.4-73.3-70.8-17.9111.5G53 G54 V155 C178 G180 F203G53-R182 WeakPolarHBondContact CA-O 3.4Å; G54-R182 PolarHBondContact N-O 3.03Å; V155-R182 HydrophobicContact CB-CG 4.01Å; V155-R182 HydrophobicContact CG2-CG 4.13Å; V155-R182 CarbonylContact O-C 3.55Å; V155-R182 WeakPolarHBondContact O-CA 3.43Å; C178-R182 PolarHBondContact O-NH1 3.02Å; G180-R182 PolarHBondContact O-NH1 3.11Å; R182-F203 HydrophobicContact CB-CD1 4.47Å; R182-F203 HydrophobicContact CB-CE1 4.21Å; R182-F203 HydrophobicContact CG-CE1 4.49Å; R182-F203 PolarHBondContact NE-O 3.11Å; R182-F203 PolarHBondContact NH2-O 3.25Å
183F95.2Very high80.5Confident2 Ų225.2 Ų25.21%0.00914%0.14CC..EExtended strand (participates in β ladder)trans-113.1134.8173.9-65.9-75.3000110L44 C47 G54 F71 Y154 V155 I156 V157 I181L44-F183 HydrophobicContact CD2-CD1 3.47Å; L44-F183 VanDerWaalsContact CD2-CD1 3.47Å; L44-F183 HydrophobicContact CD2-CE1 3.51Å; L44-F183 HydrophobicContact CD2-CG 4.15Å; L44-F183 HydrophobicContact CD2-CZ 4.21Å; C47-F183 HydrophobicContact CB-CE1 3.81Å; C47-F183 HydrophobicContact CB-CZ 4.01Å; G54-F183 VanDerWaalsContact N-CD1 3.3Å; G54-F183 VanDerWaalsContact O-CA 3.28Å; G54-F183 WeakPolarHBondContact O-CA 3.49Å; F71-F183 HydrophobicContact CE1-CD2 4.16Å; F71-F183 AromaticContact CE1-CE2 3.72Å; F71-F183 HydrophobicContact CE1-CE2 3.72Å; F71-F183 HydrophobicContact CE2-CE2 4.47Å; F71-F183 HydrophobicContact CZ-CD2 4.46Å; F71-F183 AromaticContact CZ-CE2 3.58Å; F71-F183 HydrophobicContact CZ-CE2 3.58Å; F71-F183 HydrophobicContact CZ-CZ 4.06Å; Y154-F183 HydrophobicContact CD1-CE2 4.24Å; V155-F183 PolarHBondContact O-N 2.92Å; I156-F183 CarbonylContact C-O 3.54Å; I156-F183 WeakPolarHBondContact CA-O 3.38Å; I156-F183 HydrophobicContact CG1-CB 4.45Å; V157-F183 PolarHBondContact N-O 3.36Å; I181-F183 HydrophobicContact CG2-CD2 4.29Å; I181-F183 HydrophobicContact CG2-CE2 3.59Å; I181-F183 HydrophobicContact CG2-CZ 3.8Å
184I93.6Very high79.9Confident0 Ų026 Ų260%014%0.144CC..EExtended strand (participates in β ladder)trans-113130.2173.2-64.2178.4000108.6G54 L55 L56 V157 L163 L200 F203 I204G54-I184 PolarHBondContact O-N 2.75Å; L55-I184 HydrophobicContact CD2-CB 3.87Å; L55-I184 HydrophobicContact CD2-CD1 4.28Å; L55-I184 HydrophobicContact CD2-CG2 4.1Å; L56-I184 PolarHBondContact N-O 3.1Å; V157-I184 HydrophobicContact CB-CG1 4.38Å; V157-I184 WeakPolarHBondContact O-CA 3.35Å; L163-I184 HydrophobicContact CD1-CD1 4.05Å; L163-I184 HydrophobicContact CD1-CG1 4.48Å; I184-L200 HydrophobicContact CD1-CD2 3.73Å; I184-F203 HydrophobicContact CD1-CD1 3.74Å; I184-F203 HydrophobicContact CD1-CE1 4.32Å; I184-F203 HydrophobicContact CG1-CD1 4.19Å; I184-F203 HydrophobicContact CG1-CE1 4.39Å; I184-I204 HydrophobicContact CB-CD1 4.04Å; I184-I204 HydrophobicContact CD1-CD1 3.81Å; I184-I204 HydrophobicContact CD1-CG1 3.89Å; I184-I204 HydrophobicContact CG1-CD1 3.89Å; I184-I204 HydrophobicContact CG1-CG1 3.97Å
185L92.6Very high79.5Confident0 Ų030 Ų300%016%0.163CC..EExtended strand (participates in β ladder)trans-103.3126.9173.3-37.9177.9000108.1L56 K64 V68 W96 I156 V157 D158 E159 G160L56-L185 HydrophobicContact CB-CD2 3.79Å; L56-L185 HydrophobicContact CD2-CD2 4.05Å; L56-L185 HydrophobicContact CG-CD2 4.49Å; K64-L185 HydrophobicContact CD-CB 4.34Å; V68-L185 HydrophobicContact CG2-CD1 3.84Å; V68-L185 HydrophobicContact CG2-CD2 3.52Å; V68-L185 HydrophobicContact CG2-CG 4.32Å; W96-L185 HydrophobicContact CH2-CD1 3.88Å; W96-L185 HydrophobicContact CZ2-CD1 3.69Å; I156-L185 HydrophobicContact CG2-CD1 3.81Å; I156-L185 HydrophobicContact CG2-CD2 4.5Å; I156-L185 HydrophobicContact CG2-CG 4.08Å; V157-L185 PolarHBondContact O-N 3.23Å; D158-L185 HydrophobicContact CB-CD1 4.23Å; E159-L185 WeakPolarHBondContact CA-O 3.43Å; E159-L185 PolarHBondContact N-O 3.24Å; G160-L185 PolarHBondContact N-O 3.01Å; G160-L185 VanDerWaalsContact N-O 3.12Å
186T85.5Confident79.1Confident2 Ų229 Ų291%0.01216%0.156CC..  trans-151.21421771790000110.2L56 C57 T188 P189L56-T186 PolarHBondContact O-N 3.48Å; L56-T186 VanDerWaalsContact O-N 3.16Å; C57-T186 CarbonylContact C-O 3.33Å; C57-T186 VanDerWaalsContact CA-O 3.29Å; C57-T186 WeakPolarHBondContact CA-O 3.31Å; T186-T188 PolarHBondContact OG1-N 2.93Å; T186-T188 VanDerWaalsContact OG1-N 3.1Å; T186-T188 PolarHBondContact OG1-O 3.1Å; T186-P189 HydrophobicContact CG2-CB 3.79Å
187G74.3Confident78.9Confident9 Ų923.1 Ų23.19%0.09313%0.129CC..SBendtrans-81.2-18.7168.700000113.3
188T69.1Low79.2Confident32 Ų3222.8 Ų22.820%0.19613%0.127CC..  trans-138.774.4-169.448.90000109.5T186 I190 Q191 Q453T186-T188 PolarHBondContact OG1-N 2.93Å; T186-T188 VanDerWaalsContact OG1-N 3.1Å; T186-T188 PolarHBondContact OG1-O 3.1Å; T188-I190 VanDerWaalsContact C-N 3.31Å; T188-I190 PolarHBondContact O-N 3.34Å; T188-Q191 PolarHBondContact OG1-NE2 3.5Å; T188-Q191 VanDerWaalsContact OG1-NE2 3.12Å; T188-Q453 HydrophobicContact CG2-CB 4.47Å; T188-Q453 HydrophobicContact CG2-CG 4.42Å
189P61.9Low79.5Confident3 Ų323.3 Ų23.32%0.01913%0.129CC..SBendtrans-65-32.3-171.423.6-33.6000114.6C57 T186 L501C57-P189 HydrophobicContact CB-CB 4.21Å; C57-P189 HydrophobicContact CB-CG 3.8Å; C57-P189 WeakPolarHBondContact SG-CB 3.34Å; T186-P189 HydrophobicContact CG2-CB 3.79Å; P189-L501 HydrophobicContact CG-CD2 3.58Å
190I61.8Low79.8Confident19 Ų1919.7 Ų19.710%0.09711%0.106CC..  trans-121.7117.3179.7-55.1171.9000105.9T188 L197 V500 L501T188-I190 VanDerWaalsContact C-N 3.31Å; T188-I190 PolarHBondContact O-N 3.34Å; I190-L197 HydrophobicContact CD1-CD1 4.3Å; I190-L197 HydrophobicContact CD1-CD2 3.97Å; I190-L197 HydrophobicContact CG1-CD1 4.19Å; I190-V500 HydrophobicContact CB-CG1 4.45Å; I190-V500 HydrophobicContact CD1-CG1 3.75Å; I190-V500 HydrophobicContact CG2-CG1 3.98Å; I190-L501 HydrophobicContact CB-CD2 4.04Å; I190-L501 HydrophobicContact CD1-CD2 3.77Å; I190-L501 HydrophobicContact CG1-CD2 3.93Å
191Q55.4Low79.9Confident39 Ų3919 Ų1918%0.18210%0.099CC..SBendtrans-101.8-50169.1-57-170.3-16.300108.9K164 T188 Q453K164-Q191 VanDerWaalsContact NZ-CB 3.34Å; K164-Q191 VanDerWaalsContact NZ-CD 3.27Å; T188-Q191 PolarHBondContact OG1-NE2 3.5Å; T188-Q191 VanDerWaalsContact OG1-NE2 3.12Å; Q191-Q453 VanDerWaalsContact CG-OE1 3.24Å
192N58.3Low79.7Confident29 Ų2918.6 Ų18.616%0.15510%0.096CC..SBendtrans-144.7-19.8-162.5-63.3-53000118.8T513 D514N192-T513 WeakPolarHBondContact O-CB 3.5Å; N192-T513 VanDerWaalsContact O-CG2 3.3Å; N192-T513 WeakPolarHBondContact O-CG2 3.38Å; N192-T513 PolarHBondContact O-OG1 2.84Å; N192-T513 VanDerWaalsContact O-OG1 3.12Å; N192-D514 WeakPolarHBondContact CB-OD2 3.34Å; N192-D514 PolarHBondContact ND2-OD1 3.35Å; N192-D514 PolarHBondContact ND2-OD2 3.14Å; N192-D514 PolarHBondContact OD1-OD1 2.87Å
193N69.1Low79.5Confident67 Ų6718.2 Ų18.236%0.3589%0.094SC..  trans-151.5144.7-176.9-174-6.7000113.4E195 E196 L197N193-E195 PolarHBondContact O-N 2.8Å; N193-E195 PolarHBondContact OD1-N 3.42Å; N193-E196 HydrophobicContact CB-CG 4.21Å; N193-E196 WeakPolarHBondContact O-CB 3.4Å; N193-E196 PolarHBondContact O-N 2.98Å; N193-E196 VanDerWaalsContact O-N 3.08Å; N193-L197 PolarHBondContact O-N 3.05Å
194L76.8Confident79.3Confident22 Ų2218.3 Ų18.312%0.11510%0.095CC..Hα-helixtrans-57.4-30.7170.2-71175.8000112.5L197 Y198 F221 N222 M234L194-L197 PolarHBondContact O-N 3.28Å; L194-Y198 WeakPolarHBondContact O-CB 3.41Å; L194-Y198 PolarHBondContact O-N 2.78Å; L194-F221 HydrophobicContact CD1-CB 4Å; L194-N222 WeakPolarHBondContact CD1-OD1 3.38Å; L194-M234 HydrophobicContact CD2-CE 4.01Å; L194-M234 HydrophobicContact CD2-SD 4.39Å
195E81.7Confident79.1Confident84 Ų8418.6 Ų18.639%0.39310%0.097SC..Hα-helixtrans-63.6-39.9173.6-171.1-179174.600112.1N193 L197 Y198 N199 I218N193-E195 PolarHBondContact O-N 2.8Å; N193-E195 PolarHBondContact OD1-N 3.42Å; E195-L197 VanDerWaalsContact C-N 3.34Å; E195-L197 PolarHBondContact O-N 2.63Å; E195-Y198 PolarHBondContact O-N 2.84Å; E195-N199 WeakPolarHBondContact O-CB 3.37Å; E195-N199 PolarHBondContact O-N 3.48Å; E195-N199 PolarHBondContact O-ND2 2.89Å; E195-I218 HydrophobicContact CB-CD1 3.95Å; E195-I218 HydrophobicContact CG-CD1 4.17Å
196E81.5Confident78.8Confident38 Ų3820.2 Ų20.218%0.17811%0.108CC..Hα-helixtrans-63-43.6175.9-64.8-173.5160.400110.7K164 N193 N199 L200K164-E196 HydrophobicContact CB-CB 4.16Å; K164-E196 HydrophobicContact CB-CG 3.96Å; K164-E196 HydrophobicContact CD-CG 4.47Å; K164-E196 WeakPolarHBondContact CD-OE2 3.09Å; K164-E196 WeakPolarHBondContact CE-OE2 3.17Å; K164-E196 HydrophobicContact CG-CB 4.17Å; K164-E196 HydrophobicContact CG-CG 4.24Å; K164-E196 IonicContact NZ-OE1 3.69Å; K164-E196 IonicContact NZ-OE2 3.93Å; K164-E196 PolarHBondContact NZ-OE2 3.1Å; N193-E196 HydrophobicContact CB-CG 4.21Å; N193-E196 WeakPolarHBondContact O-CB 3.4Å; N193-E196 PolarHBondContact O-N 2.98Å; N193-E196 VanDerWaalsContact O-N 3.08Å; E196-N199 PolarHBondContact O-N 2.82Å; E196-L200 WeakPolarHBondContact O-CG 3.47Å; E196-L200 PolarHBondContact O-N 3.41Å; E196-L200 VanDerWaalsContact O-N 3.08Å
197L81.7Confident78.8Confident2 Ų226.3 Ų26.31%0.0114%0.14CC..Hα-helixtrans-61.5-45.517617962.9000111.1I190 N193 L194 E195 N199 L200 L201 L238I190-L197 HydrophobicContact CD1-CD1 4.3Å; I190-L197 HydrophobicContact CD1-CD2 3.97Å; I190-L197 HydrophobicContact CG1-CD1 4.19Å; N193-L197 PolarHBondContact O-N 3.05Å; L194-L197 PolarHBondContact O-N 3.28Å; E195-L197 VanDerWaalsContact C-N 3.34Å; E195-L197 PolarHBondContact O-N 2.63Å; L197-N199 VanDerWaalsContact C-N 3.34Å; L197-N199 PolarHBondContact O-N 2.83Å; L197-L200 PolarHBondContact O-N 3.34Å; L197-L201 HydrophobicContact CG-CD1 4.23Å; L197-L201 WeakPolarHBondContact O-CG 3.15Å; L197-L201 PolarHBondContact O-N 3.12Å; L197-L238 HydrophobicContact CD1-CD2 4.28Å; L197-L238 HydrophobicContact CD2-CD1 4.17Å; L197-L238 HydrophobicContact CD2-CD2 4.18Å; L197-L238 HydrophobicContact CG-CD2 4.46Å
198Y87.1Confident79.3Confident2 Ų229.4 Ų29.41%0.00815%0.15CC..Hα-helixtrans-61.2-42.2177.7-169.7-89.5000111.9L194 E195 L200 L201 H202 F209 H210 L213 C214 F217L194-Y198 WeakPolarHBondContact O-CB 3.41Å; L194-Y198 PolarHBondContact O-N 2.78Å; E195-Y198 PolarHBondContact O-N 2.84Å; Y198-L200 VanDerWaalsContact C-N 3.31Å; Y198-L200 PolarHBondContact O-N 3.12Å; Y198-L201 PolarHBondContact O-N 3.38Å; Y198-H202 HydrophobicContact CE1-CB 4.34Å; Y198-H202 VanDerWaalsContact O-CB 3.31Å; Y198-H202 WeakPolarHBondContact O-CB 3.45Å; Y198-H202 PolarHBondContact O-N 3.1Å; Y198-F209 HydrophobicContact CE2-CB 4.4Å; Y198-F209 AromaticContact CE2-CD1 3.92Å; Y198-F209 HydrophobicContact CE2-CD1 3.92Å; Y198-H210 PolarHBondContact OH-N 3.31Å; Y198-H210 PolarHBondContact OH-O 3.31Å; Y198-L213 VanDerWaalsContact OH-CB 3.27Å; Y198-L213 WeakPolarHBondContact OH-CB 3.48Å; Y198-C214 HydrophobicContact CD1-CB 3.57Å; Y198-C214 VanDerWaalsContact CD1-SG 3.55Å; Y198-C214 HydrophobicContact CE1-CB 3.51Å; Y198-C214 HydrophobicContact CG-CB 4.34Å; Y198-F217 HydrophobicContact CD2-CB 3.77Å; Y198-F217 AromaticContact CD2-CD1 3.65Å; Y198-F217 HydrophobicContact CD2-CD1 3.65Å; Y198-F217 AromaticContact CD2-CD2 3.83Å; Y198-F217 HydrophobicContact CD2-CD2 3.83Å; Y198-F217 HydrophobicContact CD2-CE1 4.16Å; Y198-F217 HydrophobicContact CD2-CE2 4.3Å; Y198-F217 AromaticContact CD2-CG 3.47Å; Y198-F217 HydrophobicContact CD2-CG 3.47Å; Y198-F217 VanDerWaalsContact CD2-CG 3.47Å; Y198-F217 HydrophobicContact CD2-CZ 4.47Å; Y198-F217 HydrophobicContact CE2-CB 3.73Å; Y198-F217 HydrophobicContact CE2-CD1 4.39Å; Y198-F217 AromaticContact CE2-CD2 3.87Å; Y198-F217 HydrophobicContact CE2-CD2 3.87Å; Y198-F217 AromaticContact CE2-CG 3.76Å; Y198-F217 HydrophobicContact CE2-CG 3.76Å; Y198-F217 HydrophobicContact CG-CD1 4.45Å
199N88.1Confident80.1Confident10 Ų1027.9 Ų27.95%0.05314%0.14CC..Hα-helixtrans-61.4-39.4176.6-72.4-30.2000111.9K164 S166 Y171 E195 E196 L197 F203K164-N199 WeakPolarHBondContact O-CB 3.41Å; K164-N199 PolarHBondContact O-ND2 2.81Å; S166-N199 PolarHBondContact OG-OD1 2.82Å; Y171-N199 PolarHBondContact OH-O 3.42Å; E195-N199 WeakPolarHBondContact O-CB 3.37Å; E195-N199 PolarHBondContact O-N 3.48Å; E195-N199 PolarHBondContact O-ND2 2.89Å; E196-N199 PolarHBondContact O-N 2.82Å; L197-N199 VanDerWaalsContact C-N 3.34Å; L197-N199 PolarHBondContact O-N 2.83Å; N199-F203 WeakPolarHBondContact O-CB 3.14Å; N199-F203 PolarHBondContact O-N 3.26Å
200L88.3Confident81.2Confident3 Ų332.5 Ų32.52%0.01616%0.161CC..Hα-helixtrans-67.1-41.8175.6-66.4173.6000112.2L55 L163 I184 E196 L197 Y198 F203 I204L55-L200 HydrophobicContact CD2-CB 4.32Å; L163-L200 HydrophobicContact CB-CD2 4.01Å; I184-L200 HydrophobicContact CD1-CD2 3.73Å; E196-L200 WeakPolarHBondContact O-CG 3.47Å; E196-L200 PolarHBondContact O-N 3.41Å; E196-L200 VanDerWaalsContact O-N 3.08Å; L197-L200 PolarHBondContact O-N 3.34Å; Y198-L200 VanDerWaalsContact C-N 3.31Å; Y198-L200 PolarHBondContact O-N 3.12Å; L200-F203 WeakPolarHBondContact O-CB 3.12Å; L200-F203 PolarHBondContact O-N 2.86Å; L200-I204 WeakPolarHBondContact O-CG1 3.13Å; L200-I204 PolarHBondContact O-N 3.14Å
201L88.4Confident82.1Confident1 Ų137.4 Ų37.41%0.00518%0.182CC..Hα-helixtrans-64.9-42.8175.6-68.4171.8000111.8L55 L197 Y198 F203 I204 S205 F209 L238 F241L55-L201 HydrophobicContact CD1-CD2 3.97Å; L197-L201 HydrophobicContact CG-CD1 4.23Å; L197-L201 WeakPolarHBondContact O-CG 3.15Å; L197-L201 PolarHBondContact O-N 3.12Å; Y198-L201 PolarHBondContact O-N 3.38Å; L201-F203 VanDerWaalsContact C-N 3.32Å; L201-F203 PolarHBondContact O-N 2.72Å; L201-I204 PolarHBondContact O-N 3.02Å; L201-S205 PolarHBondContact O-N 3.43Å; L201-F209 HydrophobicContact CB-CD1 4.24Å; L201-F209 HydrophobicContact CB-CD2 3.82Å; L201-F209 HydrophobicContact CB-CE1 4.35Å; L201-F209 HydrophobicContact CB-CE2 3.94Å; L201-F209 HydrophobicContact CB-CG 3.97Å; L201-F209 HydrophobicContact CB-CZ 4.21Å; L201-F209 HydrophobicContact CD1-CE1 4.05Å; L201-F209 HydrophobicContact CD1-CZ 4.07Å; L201-F209 HydrophobicContact CD2-CE2 4.31Å; L201-F209 HydrophobicContact CD2-CZ 4.39Å; L201-F209 HydrophobicContact CG-CZ 4.47Å; L201-L238 HydrophobicContact CD1-CD2 3.72Å; L201-L238 HydrophobicContact CD2-CD2 4.07Å; L201-L238 HydrophobicContact CG-CD2 4.41Å; L201-F241 HydrophobicContact CD2-CB 3.97Å; L201-F241 HydrophobicContact CD2-CG 4.46Å
202H90.3Very high83.5Confident18 Ų1842.3 Ų42.38%0.08321%0.21CC..Hα-helixtrans-58.6-44.1173.3176.243.4000111.5Y171 Y198 I204 S205 P206 F209Y171-H202 PolarHBondContact OH-CD2 2.94Å; Y198-H202 HydrophobicContact CE1-CB 4.34Å; Y198-H202 VanDerWaalsContact O-CB 3.31Å; Y198-H202 WeakPolarHBondContact O-CB 3.45Å; Y198-H202 PolarHBondContact O-N 3.1Å; H202-I204 PolarHBondContact O-N 3.2Å; H202-S205 CarbonylContact O-C 3.3Å; H202-P206 WeakPolarHBondContact O-CA 3.37Å; H202-P206 WeakPolarHBondContact O-CD 3.44Å; H202-P206 VanDerWaalsContact O-N 3.15Å; H202-F209 HydrophobicContact CB-CB 4.29Å; H202-F209 PolarHBondContact ND1-O 3.02Å
203F89.8Confident84.8Confident0 Ų044.1 Ų44.10%022%0.219CC..Hα-helixtrans-60.5-47.2176.4-173.4-98.6000111.3V157 L163 Y171 L174 R182 I184 N199 L200 L201V157-F203 HydrophobicContact CG2-CE1 4.23Å; V157-F203 HydrophobicContact CG2-CZ 4.49Å; L163-F203 HydrophobicContact CD1-CD1 3.91Å; L163-F203 HydrophobicContact CD1-CD2 4.42Å; L163-F203 HydrophobicContact CD1-CE1 3.56Å; L163-F203 HydrophobicContact CD1-CE2 4.14Å; L163-F203 HydrophobicContact CD1-CG 4.3Å; L163-F203 HydrophobicContact CD1-CZ 3.68Å; Y171-F203 AromaticContact CD2-CD2 3.97Å; Y171-F203 HydrophobicContact CD2-CD2 3.97Å; Y171-F203 HydrophobicContact CE1-CD2 4.42Å; Y171-F203 HydrophobicContact CE2-CB 3.71Å; Y171-F203 AromaticContact CE2-CD2 3.7Å; Y171-F203 HydrophobicContact CE2-CD2 3.7Å; Y171-F203 HydrophobicContact CE2-CG 4.1Å; Y171-F203 HydrophobicContact CG-CD2 4.45Å; Y171-F203 AromaticContact CZ-CD2 3.9Å; Y171-F203 WeakPolarHBondContact OH-CA 3.09Å; Y171-F203 PolarHBondContact OH-N 3.01Å; L174-F203 HydrophobicContact CB-CE2 3.74Å; L174-F203 HydrophobicContact CB-CZ 3.7Å; L174-F203 HydrophobicContact CD1-CZ 3.97Å; L174-F203 HydrophobicContact CG-CZ 4.49Å; R182-F203 HydrophobicContact CB-CD1 4.47Å; R182-F203 HydrophobicContact CB-CE1 4.21Å; R182-F203 HydrophobicContact CG-CE1 4.49Å; R182-F203 PolarHBondContact NE-O 3.11Å; R182-F203 PolarHBondContact NH2-O 3.25Å; I184-F203 HydrophobicContact CD1-CD1 3.74Å; I184-F203 HydrophobicContact CD1-CE1 4.32Å; I184-F203 HydrophobicContact CG1-CD1 4.19Å; I184-F203 HydrophobicContact CG1-CE1 4.39Å; N199-F203 WeakPolarHBondContact O-CB 3.14Å; N199-F203 PolarHBondContact O-N 3.26Å; L200-F203 WeakPolarHBondContact O-CB 3.12Å; L200-F203 PolarHBondContact O-N 2.86Å; L201-F203 VanDerWaalsContact C-N 3.32Å; L201-F203 PolarHBondContact O-N 2.72Å
204I90.5Very high85.4Confident4 Ų441.8 Ų41.82%0.02121%0.208CC..Hα-helixtrans-71.2-36.5-175.3-76.7169.9000112.8G53 G54 L55 I184 L200 L201 H202G53-I204 WeakPolarHBondContact O-CG2 3.39Å; G54-I204 VanDerWaalsContact N-CG2 3.25Å; L55-I204 HydrophobicContact CB-CD1 4.26Å; L55-I204 HydrophobicContact CD1-CD1 4.31Å; L55-I204 HydrophobicContact CD2-CD1 3.2Å; L55-I204 HydrophobicContact CG-CD1 3.28Å; I184-I204 HydrophobicContact CB-CD1 4.04Å; I184-I204 HydrophobicContact CD1-CD1 3.81Å; I184-I204 HydrophobicContact CD1-CG1 3.89Å; I184-I204 HydrophobicContact CG1-CD1 3.89Å; I184-I204 HydrophobicContact CG1-CG1 3.97Å; L200-I204 WeakPolarHBondContact O-CG1 3.13Å; L200-I204 PolarHBondContact O-N 3.14Å; L201-I204 PolarHBondContact O-N 3.02Å; H202-I204 PolarHBondContact O-N 3.2Å
205S88.7Confident85.7Confident6 Ų644.2 Ų44.24%0.04223%0.227CC..  trans-145.573.5-173.3-74.90000111.8L201 H202 N207 Y208 F209L201-S205 PolarHBondContact O-N 3.43Å; H202-S205 CarbonylContact O-C 3.3Å; S205-N207 PolarHBondContact O-N 3.09Å; S205-N207 VanDerWaalsContact O-N 3.13Å; S205-Y208 PolarHBondContact O-N 2.91Å; S205-Y208 VanDerWaalsContact O-N 3.11Å; S205-F209 PolarHBondContact O-N 3.27Å
206P86.1Confident85.8Confident34 Ų3443.6 Ų43.622%0.22123%0.228CC..THydrogen-bonded Turntrans-66.7-17.1-176.227.7-36.8000113H202 H210H202-P206 WeakPolarHBondContact O-CA 3.37Å; H202-P206 WeakPolarHBondContact O-CD 3.44Å; H202-P206 VanDerWaalsContact O-N 3.15Å; P206-H210 PolarHBondContact O-ND1 3.37Å
207N85.4Confident85.8Confident131 Ų13141.9 Ų41.970%0.70122%0.221SC*.THydrogen-bonded Turntrans-71.3-33.4175.6-64.7-14.2000112.4S205 H210S205-N207 PolarHBondContact O-N 3.09Å; S205-N207 VanDerWaalsContact O-N 3.13Å; N207-H210 PolarHBondContact O-CE1 2.95Å
208Y84.9Confident85.8Confident73 Ų7343.2 Ų43.229%0.28623%0.227SC..THydrogen-bonded Turntrans-93.8-43.5179.2-69.9-81.5000111.3L11 H52 S205 F241L11-Y208 HydrophobicContact CD1-CE1 4.28Å; L11-Y208 HydrophobicContact CD1-CE2 4.31Å; H52-Y208 HydrophobicContact CB-CE2 4.41Å; S205-Y208 PolarHBondContact O-N 2.91Å; S205-Y208 VanDerWaalsContact O-N 3.11Å; Y208-F241 HydrophobicContact CD2-CE1 4.42Å; Y208-F241 HydrophobicContact CD2-CZ 4.1Å; Y208-F241 HydrophobicContact CG-CZ 4.24Å
209F86.4Confident85.5Confident0 Ų047.4 Ų47.40%025%0.25CC..SBendtrans-104.693.7-177.6-59.8-79.9000109.1L4 Y198 L201 H202 S205 I237 F241L4-F209 HydrophobicContact CD1-CD1 4.22Å; L4-F209 HydrophobicContact CD1-CE1 4.16Å; L4-F209 HydrophobicContact CD2-CE1 4.3Å; Y198-F209 HydrophobicContact CE2-CB 4.4Å; Y198-F209 AromaticContact CE2-CD1 3.92Å; Y198-F209 HydrophobicContact CE2-CD1 3.92Å; L201-F209 HydrophobicContact CB-CD1 4.24Å; L201-F209 HydrophobicContact CB-CD2 3.82Å; L201-F209 HydrophobicContact CB-CE1 4.35Å; L201-F209 HydrophobicContact CB-CE2 3.94Å; L201-F209 HydrophobicContact CB-CG 3.97Å; L201-F209 HydrophobicContact CB-CZ 4.21Å; L201-F209 HydrophobicContact CD1-CE1 4.05Å; L201-F209 HydrophobicContact CD1-CZ 4.07Å; L201-F209 HydrophobicContact CD2-CE2 4.31Å; L201-F209 HydrophobicContact CD2-CZ 4.39Å; L201-F209 HydrophobicContact CG-CZ 4.47Å; H202-F209 HydrophobicContact CB-CB 4.29Å; H202-F209 PolarHBondContact ND1-O 3.02Å; S205-F209 PolarHBondContact O-N 3.27Å; F209-I237 HydrophobicContact CE1-CG2 3.9Å; F209-I237 HydrophobicContact CZ-CG2 3.82Å; F209-F241 AromaticContact CE2-CD2 3.79Å; F209-F241 HydrophobicContact CE2-CD2 3.79Å; F209-F241 HydrophobicContact CE2-CE1 4.4Å; F209-F241 AromaticContact CE2-CE2 3.53Å; F209-F241 HydrophobicContact CE2-CE2 3.53Å; F209-F241 HydrophobicContact CE2-CG 4.35Å; F209-F241 AromaticContact CE2-CZ 3.87Å; F209-F241 HydrophobicContact CE2-CZ 3.87Å; F209-F241 AromaticContact CZ-CD2 3.95Å; F209-F241 HydrophobicContact CZ-CD2 3.95Å; F209-F241 AromaticContact CZ-CE2 3.75Å; F209-F241 HydrophobicContact CZ-CE2 3.75Å; F209-F241 HydrophobicContact CZ-CZ 4.49Å
210H85.8Confident85.1Confident100 Ų10050.3 Ų50.346%0.46326%0.26SS..  trans-79.2146.4176.2-61.5-57.7000111.5Y198 P206 N207 N212 L213Y198-H210 PolarHBondContact OH-N 3.31Å; Y198-H210 PolarHBondContact OH-O 3.31Å; P206-H210 PolarHBondContact O-ND1 3.37Å; N207-H210 PolarHBondContact O-CE1 2.95Å; H210-N212 PolarHBondContact O-N 3.49Å; H210-N212 VanDerWaalsContact O-N 3.1Å; H210-L213 HydrophobicContact CB-CD1 4.14Å; H210-L213 HydrophobicContact CB-CG 4.31Å; H210-L213 PolarHBondContact O-N 2.96Å
211K81.2Confident84.6Confident122 Ų12250.8 Ų50.853%0.5326%0.262SS..G310 helixtrans-54.5-36.2179.5-166.3172.2-177.4174.50113.1L213 C214K211-L213 VanDerWaalsContact C-N 3.26Å; K211-L213 PolarHBondContact O-N 2.9Å; K211-C214 VanDerWaalsContact O-CB 3.31Å; K211-C214 WeakPolarHBondContact O-CB 3.37Å; K211-C214 PolarHBondContact O-N 3.35Å
212N83.6Confident83.8Confident143 Ų14354.9 Ų54.977%0.76528%0.284SS*.G310 helixtrans-70.1-19-179-58.5-4.1000113.9H210 C214H210-N212 PolarHBondContact O-N 3.49Å; H210-N212 VanDerWaalsContact O-N 3.1Å; N212-C214 VanDerWaalsContact C-N 3.32Å
213L84.8Confident82.5Confident66 Ų6660.5 Ų60.535%0.34631%0.311SS..G310 helixtrans-85-6.2179-69.4171.4000112.5Y198 H210 K211 S215 T216 F217Y198-L213 VanDerWaalsContact OH-CB 3.27Å; Y198-L213 WeakPolarHBondContact OH-CB 3.48Å; H210-L213 HydrophobicContact CB-CD1 4.14Å; H210-L213 HydrophobicContact CB-CG 4.31Å; H210-L213 PolarHBondContact O-N 2.96Å; K211-L213 VanDerWaalsContact C-N 3.26Å; K211-L213 PolarHBondContact O-N 2.9Å; L213-S215 PolarHBondContact O-N 3.38Å; L213-T216 PolarHBondContact O-N 3.07Å; L213-F217 WeakPolarHBondContact O-CB 3.24Å; L213-F217 PolarHBondContact O-N 3.29Å
214C83.3Confident81.1Confident19 Ų1961.8 Ų61.813%0.12832%0.319CS..Hα-helixtrans-57-50-178.4-173.80000112.3Y198 K211 N212 T216 F217 I218Y198-C214 HydrophobicContact CD1-CB 3.57Å; Y198-C214 VanDerWaalsContact CD1-SG 3.55Å; Y198-C214 HydrophobicContact CE1-CB 3.51Å; Y198-C214 HydrophobicContact CG-CB 4.34Å; K211-C214 VanDerWaalsContact O-CB 3.31Å; K211-C214 WeakPolarHBondContact O-CB 3.37Å; K211-C214 PolarHBondContact O-N 3.35Å; N212-C214 VanDerWaalsContact C-N 3.32Å; C214-T216 VanDerWaalsContact C-N 3.34Å; C214-T216 PolarHBondContact O-N 2.93Å; C214-F217 PolarHBondContact O-N 3Å; C214-I218 VanDerWaalsContact O-CG1 3.29Å; C214-I218 WeakPolarHBondContact O-CG1 3.27Å; C214-I218 PolarHBondContact O-N 3.46Å
215S82.3Confident79.4Confident73 Ų7369.6 Ų69.651%0.5136%0.361SS..Hα-helixtrans-63-40.5178.3550000112.1L213 N219L213-S215 PolarHBondContact O-N 3.38Å; S215-N219 VanDerWaalsContact O-CB 3.26Å; S215-N219 WeakPolarHBondContact O-CB 3.28Å; S215-N219 PolarHBondContact O-N 2.82Å; S215-N219 PolarHBondContact O-ND2 2.92Å
216T82.9Confident78.1Confident70 Ų7075.4 Ų75.443%0.42939%0.386SS..Hα-helixtrans-64.6-41.5176.5-52.90000111.6L213 C214 Y220L213-T216 PolarHBondContact O-N 3.07Å; C214-T216 VanDerWaalsContact C-N 3.34Å; C214-T216 PolarHBondContact O-N 2.93Å; T216-Y220 VanDerWaalsContact O-CB 3.31Å; T216-Y220 WeakPolarHBondContact O-CB 3.39Å; T216-Y220 PolarHBondContact O-N 2.78Å
217F83.3Confident76.8Confident3 Ų378.6 Ų78.61%0.01340%0.396CS..Hα-helixtrans-63.1-51.7177-175.2-84.5000110.6M1 Y198 L213 C214 N219 Y220 F221 I237M1-F217 HydrophobicContact CE-CD2 4.02Å; M1-F217 HydrophobicContact CE-CE2 4.49Å; Y198-F217 HydrophobicContact CD2-CB 3.77Å; Y198-F217 AromaticContact CD2-CD1 3.65Å; Y198-F217 HydrophobicContact CD2-CD1 3.65Å; Y198-F217 AromaticContact CD2-CD2 3.83Å; Y198-F217 HydrophobicContact CD2-CD2 3.83Å; Y198-F217 HydrophobicContact CD2-CE1 4.16Å; Y198-F217 HydrophobicContact CD2-CE2 4.3Å; Y198-F217 AromaticContact CD2-CG 3.47Å; Y198-F217 HydrophobicContact CD2-CG 3.47Å; Y198-F217 VanDerWaalsContact CD2-CG 3.47Å; Y198-F217 HydrophobicContact CD2-CZ 4.47Å; Y198-F217 HydrophobicContact CE2-CB 3.73Å; Y198-F217 HydrophobicContact CE2-CD1 4.39Å; Y198-F217 AromaticContact CE2-CD2 3.87Å; Y198-F217 HydrophobicContact CE2-CD2 3.87Å; Y198-F217 AromaticContact CE2-CG 3.76Å; Y198-F217 HydrophobicContact CE2-CG 3.76Å; Y198-F217 HydrophobicContact CG-CD1 4.45Å; L213-F217 WeakPolarHBondContact O-CB 3.24Å; L213-F217 PolarHBondContact O-N 3.29Å; C214-F217 PolarHBondContact O-N 3Å; F217-N219 VanDerWaalsContact C-N 3.33Å; F217-N219 PolarHBondContact O-N 3.34Å; F217-Y220 PolarHBondContact O-N 3.31Å; F217-F221 AromaticContact CD1-CD2 3.77Å; F217-F221 HydrophobicContact CD1-CD2 3.77Å; F217-F221 HydrophobicContact CD1-CE2 4.05Å; F217-F221 HydrophobicContact CD2-CD2 4.21Å; F217-F221 AromaticContact CD2-CE2 3.67Å; F217-F221 HydrophobicContact CD2-CE2 3.67Å; F217-F221 AromaticContact CE1-CD2 3.6Å; F217-F221 HydrophobicContact CE1-CD2 3.6Å; F217-F221 AromaticContact CE1-CE2 3.75Å; F217-F221 HydrophobicContact CE1-CE2 3.75Å; F217-F221 HydrophobicContact CE2-CD2 4.08Å; F217-F221 AromaticContact CE2-CE2 3.36Å; F217-F221 HydrophobicContact CE2-CE2 3.36Å; F217-F221 HydrophobicContact CE2-CZ 4.25Å; F217-F221 HydrophobicContact CG-CD2 4.07Å; F217-F221 HydrophobicContact CG-CE2 4.01Å; F217-F221 AromaticContact CZ-CD2 3.76Å; F217-F221 HydrophobicContact CZ-CD2 3.76Å; F217-F221 AromaticContact CZ-CE2 3.38Å; F217-F221 HydrophobicContact CZ-CE2 3.38Å; F217-F221 HydrophobicContact CZ-CZ 4.29Å; F217-F221 WeakPolarHBondContact O-CD2 3.42Å; F217-F221 PolarHBondContact O-N 3.48Å; F217-F221 VanDerWaalsContact O-N 3.14Å; F217-I237 HydrophobicContact CE2-CD1 4.47Å
218I81.2Confident75.9Confident30 Ų3077.2 Ų77.215%0.15439%0.389CS..Hα-helixtrans-59.3-45.2178.3-66.9167.9000110.5E195 C214 Y220 F221 N222E195-I218 HydrophobicContact CB-CD1 3.95Å; E195-I218 HydrophobicContact CG-CD1 4.17Å; C214-I218 VanDerWaalsContact O-CG1 3.29Å; C214-I218 WeakPolarHBondContact O-CG1 3.27Å; C214-I218 PolarHBondContact O-N 3.46Å; I218-Y220 PolarHBondContact O-N 3.46Å; I218-F221 PolarHBondContact O-N 2.94Å; I218-N222 VanDerWaalsContact CG2-ND2 3.26Å; I218-N222 WeakPolarHBondContact CG2-ND2 3.47Å; I218-N222 WeakPolarHBondContact O-CB 3.36Å; I218-N222 PolarHBondContact O-N 2.91Å
219N81.2Confident75.1Confident89 Ų8978.8 Ų78.848%0.47640%0.398SS..Hα-helixtrans-64.8-39.4179.1-72.3-16.5000112.4S215 F217 F221 H223S215-N219 VanDerWaalsContact O-CB 3.26Å; S215-N219 WeakPolarHBondContact O-CB 3.28Å; S215-N219 PolarHBondContact O-N 2.82Å; S215-N219 PolarHBondContact O-ND2 2.92Å; F217-N219 VanDerWaalsContact C-N 3.33Å; F217-N219 PolarHBondContact O-N 3.34Å; N219-F221 PolarHBondContact O-N 3.5Å; N219-H223 WeakPolarHBondContact O-CB 3.36Å; N219-H223 PolarHBondContact O-N 3.25Å; N219-H223 PolarHBondContact O-ND1 3.38Å
220Y79.4Confident74.3Confident71 Ų7179.2 Ų79.228%0.27840%0.401SS..Hα-helixtrans-61.4-42.6178.2-175.1-96.5000112.1M1 T216 F217 I218 S224 T230 D233M1-Y220 HydrophobicContact CB-CD2 4.3Å; M1-Y220 HydrophobicContact CB-CE2 4.16Å; M1-Y220 HydrophobicContact CE-CD1 3.9Å; M1-Y220 HydrophobicContact CE-CE1 4.36Å; M1-Y220 HydrophobicContact CE-CG 4.2Å; M1-Y220 HydrophobicContact CG-CD1 4.4Å; M1-Y220 HydrophobicContact CG-CD2 3.84Å; M1-Y220 HydrophobicContact CG-CE2 4.22Å; M1-Y220 HydrophobicContact CG-CG 3.94Å; T216-Y220 VanDerWaalsContact O-CB 3.31Å; T216-Y220 WeakPolarHBondContact O-CB 3.39Å; T216-Y220 PolarHBondContact O-N 2.78Å; F217-Y220 PolarHBondContact O-N 3.31Å; I218-Y220 PolarHBondContact O-N 3.46Å; Y220-S224 WeakPolarHBondContact O-CB 3.11Å; Y220-S224 PolarHBondContact O-OG 3.28Å; Y220-T230 HydrophobicContact CD1-CG2 4.46Å; Y220-T230 HydrophobicContact CE1-CG2 3.94Å; Y220-D233 PolarHBondContact OH-OD2 3.42Å
221F76.4Confident73.4Confident13 Ų1374.5 Ų74.56%0.05738%0.38CS..Hα-helixtrans-85.9-22.7-179.2-68.2-69.1000114.2M1 L194 F217 I218 N219 T230 M234 I237M1-F221 HydrophobicContact CE-CE2 3.84Å; M1-F221 HydrophobicContact CE-CZ 4.15Å; L194-F221 HydrophobicContact CD1-CB 4Å; F217-F221 AromaticContact CD1-CD2 3.77Å; F217-F221 HydrophobicContact CD1-CD2 3.77Å; F217-F221 HydrophobicContact CD1-CE2 4.05Å; F217-F221 HydrophobicContact CD2-CD2 4.21Å; F217-F221 AromaticContact CD2-CE2 3.67Å; F217-F221 HydrophobicContact CD2-CE2 3.67Å; F217-F221 AromaticContact CE1-CD2 3.6Å; F217-F221 HydrophobicContact CE1-CD2 3.6Å; F217-F221 AromaticContact CE1-CE2 3.75Å; F217-F221 HydrophobicContact CE1-CE2 3.75Å; F217-F221 HydrophobicContact CE2-CD2 4.08Å; F217-F221 AromaticContact CE2-CE2 3.36Å; F217-F221 HydrophobicContact CE2-CE2 3.36Å; F217-F221 HydrophobicContact CE2-CZ 4.25Å; F217-F221 HydrophobicContact CG-CD2 4.07Å; F217-F221 HydrophobicContact CG-CE2 4.01Å; F217-F221 AromaticContact CZ-CD2 3.76Å; F217-F221 HydrophobicContact CZ-CD2 3.76Å; F217-F221 AromaticContact CZ-CE2 3.38Å; F217-F221 HydrophobicContact CZ-CE2 3.38Å; F217-F221 HydrophobicContact CZ-CZ 4.29Å; F217-F221 WeakPolarHBondContact O-CD2 3.42Å; F217-F221 PolarHBondContact O-N 3.48Å; F217-F221 VanDerWaalsContact O-N 3.14Å; I218-F221 PolarHBondContact O-N 2.94Å; N219-F221 PolarHBondContact O-N 3.5Å; F221-T230 VanDerWaalsContact CE1-O 3.29Å; F221-T230 WeakPolarHBondContact CE1-O 3.31Å; F221-M234 HydrophobicContact CB-CE 3.97Å; F221-M234 HydrophobicContact CD1-CB 4.34Å; F221-M234 HydrophobicContact CD1-CE 3.21Å; F221-M234 HydrophobicContact CD2-CE 4.02Å; F221-M234 HydrophobicContact CE1-CB 3.7Å; F221-M234 HydrophobicContact CE1-CE 3.63Å; F221-M234 HydrophobicContact CE1-CG 4.36Å; F221-M234 HydrophobicContact CE2-CE 4.39Å; F221-M234 HydrophobicContact CG-CE 3.44Å; F221-M234 VanDerWaalsContact CG-CE 3.44Å; F221-M234 HydrophobicContact CZ-CB 4.18Å; F221-M234 HydrophobicContact CZ-CE 4.21Å; F221-I237 HydrophobicContact CE2-CD1 4.49Å; F221-I237 HydrophobicContact CZ-CD1 3.94Å
222N72.3Confident73Confident88 Ų8874 Ų7447%0.47138%0.379SS..Hα-helixtrans-87-29.9178.5-77-10.9000114.2L194 I218L194-N222 WeakPolarHBondContact CD1-OD1 3.38Å; I218-N222 VanDerWaalsContact CG2-ND2 3.26Å; I218-N222 WeakPolarHBondContact CG2-ND2 3.47Å; I218-N222 WeakPolarHBondContact O-CB 3.36Å; I218-N222 PolarHBondContact O-N 2.91Å
223H63.4Low72.7Confident136 Ų13668.3 Ų68.363%0.6335%0.348SS*.SBendtrans-110.36.3-170.1-65.676000114.4N219 N225N219-H223 WeakPolarHBondContact O-CB 3.36Å; N219-H223 PolarHBondContact O-N 3.25Å; N219-H223 PolarHBondContact O-ND1 3.38Å; H223-N225 PolarHBondContact O-N 2.87Å
224S59.6Low72.3Confident26 Ų2665.9 Ų65.918%0.18234%0.336CS..  trans-74.5110.718033.80000111.4Y220 K226 T230Y220-S224 WeakPolarHBondContact O-CB 3.11Å; Y220-S224 PolarHBondContact O-OG 3.28Å; S224-K226 PolarHBondContact O-N 3.21Å; S224-K226 VanDerWaalsContact O-N 3.09Å; S224-T230 WeakPolarHBondContact OG-CG2 3.45Å; S224-T230 PolarHBondContact OG-OG1 2.78Å
225N55.7Low71.8Confident169 Ų16966.9 Ų66.990%0.90435%0.345SS*.SBendtrans-62.9-10.2171.8-75.8-17.5000113.6H223H223-N225 PolarHBondContact O-N 2.87Å
226K61Low71.6Confident127 Ų12767.1 Ų67.155%0.55234%0.337SS*.  trans-114.482177.8-67.5-171.8174.4-169.10110.7S224 E229 T230S224-K226 PolarHBondContact O-N 3.21Å; S224-K226 VanDerWaalsContact O-N 3.09Å; K226-E229 HydrophobicContact CB-CB 4.46Å; K226-E229 WeakPolarHBondContact CD-OE2 3.44Å; K226-E229 IonicContact NZ-OE1 2.92Å; K226-E229 PolarHBondContact NZ-OE1 3.26Å; K226-E229 IonicContact NZ-OE2 3.13Å; K226-E229 PolarHBondContact NZ-OE2 3.18Å; K226-E229 VanDerWaalsContact NZ-OE2 3.13Å; K226-T230 PolarHBondContact O-N 2.97Å; K226-T230 PolarHBondContact O-OG1 3.31Å
227K59.4Low71.5Confident102 Ų10263.8 Ų63.844%0.44332%0.317SS..Hα-helixtrans-67.3-43-169-64.2-177.4178.3178.60113.5E229 T230 D231 N507K227-E229 VanDerWaalsContact C-N 3.34Å; K227-E229 PolarHBondContact O-N 2.9Å; K227-T230 WeakPolarHBondContact CA-OG1 3.23Å; K227-T230 PolarHBondContact O-N 3.31Å; K227-T230 VanDerWaalsContact O-N 3.13Å; K227-T230 PolarHBondContact O-OG1 3.29Å; K227-D231 VanDerWaalsContact O-CG 3.27Å; K227-D231 PolarHBondContact O-N 3.04Å; K227-N507 VanDerWaalsContact CB-OD1 3.24Å; K227-N507 WeakPolarHBondContact CB-OD1 3.44Å; K227-N507 WeakPolarHBondContact CD-OD1 3.42Å
228D65.4Low71.5Confident102 Ų10264.8 Ų64.855%0.54532%0.322SS..Hα-helixtrans-61.2-39.1-179.2-56.5-6.8000113Q232D228-Q232 WeakPolarHBondContact O-CG 3.2Å; D228-Q232 PolarHBondContact O-N 3.15Å
229E68.9Low71.5Confident105 Ų10572.3 Ų72.349%0.49135%0.349SS..Hα-helixtrans-65.9-45.2175.8-75.2178.6-166.700110.4K226 K227 D231 Q232 D233K226-E229 HydrophobicContact CB-CB 4.46Å; K226-E229 WeakPolarHBondContact CD-OE2 3.44Å; K226-E229 IonicContact NZ-OE1 2.92Å; K226-E229 PolarHBondContact NZ-OE1 3.26Å; K226-E229 IonicContact NZ-OE2 3.13Å; K226-E229 PolarHBondContact NZ-OE2 3.18Å; K226-E229 VanDerWaalsContact NZ-OE2 3.13Å; K227-E229 VanDerWaalsContact C-N 3.34Å; K227-E229 PolarHBondContact O-N 2.9Å; E229-D231 VanDerWaalsContact C-N 3.31Å; E229-D231 PolarHBondContact O-N 3.05Å; E229-Q232 PolarHBondContact O-N 3.32Å; E229-D233 PolarHBondContact O-N 3.26Å
230T70.1Confident71.7Confident9 Ų968.4 Ų68.46%0.05533%0.328CS..Hα-helixtrans-67.5-32.9-179.647.70000113.2Y220 F221 S224 K226 K227 D233 M234Y220-T230 HydrophobicContact CD1-CG2 4.46Å; Y220-T230 HydrophobicContact CE1-CG2 3.94Å; F221-T230 VanDerWaalsContact CE1-O 3.29Å; F221-T230 WeakPolarHBondContact CE1-O 3.31Å; S224-T230 WeakPolarHBondContact OG-CG2 3.45Å; S224-T230 PolarHBondContact OG-OG1 2.78Å; K226-T230 PolarHBondContact O-N 2.97Å; K226-T230 PolarHBondContact O-OG1 3.31Å; K227-T230 WeakPolarHBondContact CA-OG1 3.23Å; K227-T230 PolarHBondContact O-N 3.31Å; K227-T230 VanDerWaalsContact O-N 3.13Å; K227-T230 PolarHBondContact O-OG1 3.29Å; T230-D233 WeakPolarHBondContact O-CB 3.29Å; T230-D233 PolarHBondContact O-N 3.38Å; T230-M234 PolarHBondContact O-N 2.98Å
231D66.9Low72Confident2 Ų265 Ų651%0.01132%0.315CS..Hα-helixtrans-73-37.8179.2-65.6-26.9000111.6K227 E229 D233 M234 A235 T504 D505 L506K227-D231 VanDerWaalsContact O-CG 3.27Å; K227-D231 PolarHBondContact O-N 3.04Å; E229-D231 VanDerWaalsContact C-N 3.31Å; E229-D231 PolarHBondContact O-N 3.05Å; D231-D233 VanDerWaalsContact C-N 3.31Å; D231-D233 PolarHBondContact O-N 3.32Å; D231-M234 WeakPolarHBondContact O-CB 3.19Å; D231-M234 PolarHBondContact O-N 2.86Å; D231-M234 VanDerWaalsContact O-N 3.17Å; D231-A235 PolarHBondContact O-N 3.07Å; D231-T504 WeakPolarHBondContact CB-O 3.47Å; D231-T504 WeakPolarHBondContact O-CB 3.36Å; D231-T504 WeakPolarHBondContact O-CG2 3.28Å; D231-D505 WeakPolarHBondContact OD2-CA 3.43Å; D231-L506 WeakPolarHBondContact OD1-CB 3.48Å; D231-L506 WeakPolarHBondContact OD1-CD1 3.42Å; D231-L506 WeakPolarHBondContact OD1-CG 3.48Å; D231-L506 PolarHBondContact OD2-N 3.35Å
232Q71.6Confident72.6Confident111 Ų11165.9 Ų65.952%0.51932%0.32SS..Hα-helixtrans-60.9-41.2170-70.7179.719.100111.7D228 E229 M234 A235 K236D228-Q232 WeakPolarHBondContact O-CG 3.2Å; D228-Q232 PolarHBondContact O-N 3.15Å; E229-Q232 PolarHBondContact O-N 3.32Å; Q232-M234 VanDerWaalsContact C-N 3.3Å; Q232-M234 PolarHBondContact O-N 3.03Å; Q232-A235 PolarHBondContact O-N 3Å; Q232-K236 WeakPolarHBondContact O-CD 3.27Å; Q232-K236 VanDerWaalsContact O-CG 3.27Å; Q232-K236 WeakPolarHBondContact O-CG 2.8Å; Q232-K236 PolarHBondContact O-N 2.76Å
233D77.1Confident73.3Confident23 Ų2363.3 Ų63.312%0.12331%0.306CS..Hα-helixtrans-60.8-40.3173.5-72.5-14000111.6I5 Y220 E229 T230 D231 K236 I237I5-D233 HydrophobicContact CD1-CB 3.99Å; Y220-D233 PolarHBondContact OH-OD2 3.42Å; E229-D233 PolarHBondContact O-N 3.26Å; T230-D233 WeakPolarHBondContact O-CB 3.29Å; T230-D233 PolarHBondContact O-N 3.38Å; D231-D233 VanDerWaalsContact C-N 3.31Å; D231-D233 PolarHBondContact O-N 3.32Å; D233-K236 PolarHBondContact O-N 2.77Å; D233-K236 IonicContact OD1-NZ 3.76Å; D233-I237 VanDerWaalsContact O-CG1 3.27Å; D233-I237 WeakPolarHBondContact O-CG1 3.46Å; D233-I237 PolarHBondContact O-N 2.79Å
234M77.1Confident74.4Confident16 Ų1660 Ų608%0.07929%0.288CS..Hα-helixtrans-62.4-46.4175.7-170.2173.9-59.200111.8L194 F221 T230 D231 Q232 K236 I237 L238 L506L194-M234 HydrophobicContact CD2-CE 4.01Å; L194-M234 HydrophobicContact CD2-SD 4.39Å; F221-M234 HydrophobicContact CB-CE 3.97Å; F221-M234 HydrophobicContact CD1-CB 4.34Å; F221-M234 HydrophobicContact CD1-CE 3.21Å; F221-M234 HydrophobicContact CD2-CE 4.02Å; F221-M234 HydrophobicContact CE1-CB 3.7Å; F221-M234 HydrophobicContact CE1-CE 3.63Å; F221-M234 HydrophobicContact CE1-CG 4.36Å; F221-M234 HydrophobicContact CE2-CE 4.39Å; F221-M234 HydrophobicContact CG-CE 3.44Å; F221-M234 VanDerWaalsContact CG-CE 3.44Å; F221-M234 HydrophobicContact CZ-CB 4.18Å; F221-M234 HydrophobicContact CZ-CE 4.21Å; T230-M234 PolarHBondContact O-N 2.98Å; D231-M234 WeakPolarHBondContact O-CB 3.19Å; D231-M234 PolarHBondContact O-N 2.86Å; D231-M234 VanDerWaalsContact O-N 3.17Å; Q232-M234 VanDerWaalsContact C-N 3.3Å; Q232-M234 PolarHBondContact O-N 3.03Å; M234-K236 VanDerWaalsContact C-N 3.33Å; M234-K236 PolarHBondContact O-N 3.36Å; M234-I237 PolarHBondContact O-N 3.34Å; M234-L238 HydrophobicContact CG-CD1 3.77Å; M234-L238 HydrophobicContact CG-CG 4.2Å; M234-L238 WeakPolarHBondContact O-CB 3.27Å; M234-L238 WeakPolarHBondContact O-CG 3.48Å; M234-L238 PolarHBondContact O-N 3.34Å; M234-L238 HydrophobicContact SD-CD1 4.32Å; M234-L506 HydrophobicContact CE-CD1 3.29Å; M234-L506 HydrophobicContact CE-CG 4.47Å; M234-L506 HydrophobicContact SD-CD1 3.92Å
235A73.2Confident75.6Confident40 Ų4060 Ų6033%0.33128%0.284SS..Hα-helixtrans-62-40.7175.400000112.5D231 Q232 I237 L238 R239 T504D231-A235 PolarHBondContact O-N 3.07Å; Q232-A235 PolarHBondContact O-N 3Å; A235-I237 VanDerWaalsContact C-N 3.25Å; A235-I237 PolarHBondContact O-N 3.07Å; A235-L238 PolarHBondContact O-N 3.13Å; A235-R239 WeakPolarHBondContact O-CB 3.3Å; A235-R239 PolarHBondContact O-N 3.44Å; A235-T504 HydrophobicContact CB-CG2 3.13Å
236K77.1Confident76.7Confident77 Ų7754 Ų5434%0.33525%0.251SS..Hα-helixtrans-59.1-40.2176.6-72.5162.4175.1179.10111.4I5 E9 Q232 D233 M234 P240I5-K236 HydrophobicContact CG2-CB 4.42Å; I5-K236 HydrophobicContact CG2-CD 4.34Å; E9-K236 HydrophobicContact CG-CB 4.34Å; E9-K236 VanDerWaalsContact OE1-CD 3.23Å; E9-K236 WeakPolarHBondContact OE1-CD 3.43Å; E9-K236 WeakPolarHBondContact OE1-CE 3.46Å; E9-K236 IonicContact OE1-NZ 3.86Å; Q232-K236 WeakPolarHBondContact O-CD 3.27Å; Q232-K236 VanDerWaalsContact O-CG 3.27Å; Q232-K236 WeakPolarHBondContact O-CG 2.8Å; Q232-K236 PolarHBondContact O-N 2.76Å; D233-K236 PolarHBondContact O-N 2.77Å; D233-K236 IonicContact OD1-NZ 3.76Å; M234-K236 VanDerWaalsContact C-N 3.33Å; M234-K236 PolarHBondContact O-N 3.36Å; K236-P240 WeakPolarHBondContact O-CD 3.43Å
237I82.4Confident77.6Confident0 Ų048.4 Ų48.40%023%0.227CC..Hα-helixtrans-69.2-44.6176.3-66.3168.2000111.3M1 L4 I5 F209 F217 F221 D233 M234 A235 P240 F241M1-I237 HydrophobicContact CE-CD1 4.05Å; L4-I237 HydrophobicContact CD2-CB 4.45Å; L4-I237 HydrophobicContact CD2-CD1 3.68Å; L4-I237 HydrophobicContact CD2-CG1 3.7Å; L4-I237 HydrophobicContact CD2-CG2 3.91Å; I5-I237 HydrophobicContact CG1-CD1 3.89Å; I5-I237 HydrophobicContact CG1-CG1 3.93Å; F209-I237 HydrophobicContact CE1-CG2 3.9Å; F209-I237 HydrophobicContact CZ-CG2 3.82Å; F217-I237 HydrophobicContact CE2-CD1 4.47Å; F221-I237 HydrophobicContact CE2-CD1 4.49Å; F221-I237 HydrophobicContact CZ-CD1 3.94Å; D233-I237 VanDerWaalsContact O-CG1 3.27Å; D233-I237 WeakPolarHBondContact O-CG1 3.46Å; D233-I237 PolarHBondContact O-N 2.79Å; M234-I237 PolarHBondContact O-N 3.34Å; A235-I237 VanDerWaalsContact C-N 3.25Å; A235-I237 PolarHBondContact O-N 3.07Å; I237-P240 WeakPolarHBondContact O-CD 3.26Å; I237-F241 VanDerWaalsContact O-CD2 3.31Å; I237-F241 WeakPolarHBondContact O-CD2 3.28Å
238L82.3Confident78.3Confident25 Ų2551.7 Ų51.713%0.13124%0.244CC..Hα-helixtrans-77.6-34-173.7-68.5178.1000113.6L197 L201 M234 A235 F241 L242L197-L238 HydrophobicContact CD1-CD2 4.28Å; L197-L238 HydrophobicContact CD2-CD1 4.17Å; L197-L238 HydrophobicContact CD2-CD2 4.18Å; L197-L238 HydrophobicContact CG-CD2 4.46Å; L201-L238 HydrophobicContact CD1-CD2 3.72Å; L201-L238 HydrophobicContact CD2-CD2 4.07Å; L201-L238 HydrophobicContact CG-CD2 4.41Å; M234-L238 HydrophobicContact CG-CD1 3.77Å; M234-L238 HydrophobicContact CG-CG 4.2Å; M234-L238 WeakPolarHBondContact O-CB 3.27Å; M234-L238 WeakPolarHBondContact O-CG 3.48Å; M234-L238 PolarHBondContact O-N 3.34Å; M234-L238 HydrophobicContact SD-CD1 4.32Å; A235-L238 PolarHBondContact O-N 3.13Å; L238-F241 CarbonylContact O-C 3.57Å; L238-F241 PolarHBondContact O-N 3.23Å; L238-L242 HydrophobicContact CB-CB 4.49Å; L238-L242 WeakPolarHBondContact O-CB 3.48Å; L238-L242 PolarHBondContact O-N 3.11Å
239R81Confident78.9Confident188 Ų18852.7 Ų52.771%0.70925%0.249SC*.THydrogen-bonded Turntrans-49.6-44.4-174.9-176.8176.2-178.11710.8115.3A235A235-R239 WeakPolarHBondContact O-CB 3.3Å; A235-R239 PolarHBondContact O-N 3.44Å
240P84.8Confident79.3Confident7 Ų749.2 Ų49.25%0.04524%0.235CC..THydrogen-bonded Turntrans-71.3-29176.626.7-35.3000113.2C8 L11 W43 H52 K236 I237C8-P240 HydrophobicContact CB-CG 4.09Å; L11-P240 HydrophobicContact CB-CB 3.85Å; W43-P240 WeakPolarHBondContact CZ2-O 3.17Å; H52-P240 PolarHBondContact CE1-O 2.94Å; K236-P240 WeakPolarHBondContact O-CD 3.43Å; I237-P240 WeakPolarHBondContact O-CD 3.26Å
241F87.4Confident79.5Confident0 Ų049.2 Ų49.20%024%0.235CC..THydrogen-bonded Turntrans-98.2-14.7-175-59.8-71.4000114.2L11 H52 G54 L55 L201 Y208 F209 I237 L238L11-F241 HydrophobicContact CD1-CZ 4.01Å; H52-F241 HydrophobicContact CB-CE1 4.04Å; H52-F241 AromaticContact CG-CE1 3.83Å; H52-F241 AromaticContact ND1-CD1 3.61Å; H52-F241 AromaticContact ND1-CE1 3.6Å; G54-F241 CarbonylContact C-O 3.51Å; G54-F241 WeakPolarHBondContact CA-O 3.18Å; L55-F241 WeakPolarHBondContact CB-O 3.41Å; L55-F241 PolarHBondContact N-O 3.37Å; L201-F241 HydrophobicContact CD2-CB 3.97Å; L201-F241 HydrophobicContact CD2-CG 4.46Å; Y208-F241 HydrophobicContact CD2-CE1 4.42Å; Y208-F241 HydrophobicContact CD2-CZ 4.1Å; Y208-F241 HydrophobicContact CG-CZ 4.24Å; F209-F241 AromaticContact CE2-CD2 3.79Å; F209-F241 HydrophobicContact CE2-CD2 3.79Å; F209-F241 HydrophobicContact CE2-CE1 4.4Å; F209-F241 AromaticContact CE2-CE2 3.53Å; F209-F241 HydrophobicContact CE2-CE2 3.53Å; F209-F241 HydrophobicContact CE2-CG 4.35Å; F209-F241 AromaticContact CE2-CZ 3.87Å; F209-F241 HydrophobicContact CE2-CZ 3.87Å; F209-F241 AromaticContact CZ-CD2 3.95Å; F209-F241 HydrophobicContact CZ-CD2 3.95Å; F209-F241 AromaticContact CZ-CE2 3.75Å; F209-F241 HydrophobicContact CZ-CE2 3.75Å; F209-F241 HydrophobicContact CZ-CZ 4.49Å; I237-F241 VanDerWaalsContact O-CD2 3.31Å; I237-F241 WeakPolarHBondContact O-CD2 3.28Å; L238-F241 CarbonylContact O-C 3.57Å; L238-F241 PolarHBondContact O-N 3.23Å
242L87.6Confident79.6Confident31 Ų3155.1 Ų55.116%0.16227%0.271CS..EExtended strand (participates in β ladder)trans-130.6121-172.7-172.1156000111.2L55 C57 L238 R244L55-L242 HydrophobicContact CB-CB 4.28Å; L55-L242 HydrophobicContact CB-CG 4.21Å; L55-L242 HydrophobicContact CD1-CB 4.39Å; L55-L242 HydrophobicContact CD1-CD1 4.03Å; L55-L242 HydrophobicContact CD1-CG 4.43Å; C57-L242 HydrophobicContact CB-CD2 4.28Å; C57-L242 HydrophobicContact CB-CG 4.32Å; L238-L242 HydrophobicContact CB-CB 4.49Å; L238-L242 WeakPolarHBondContact O-CB 3.48Å; L238-L242 PolarHBondContact O-N 3.11Å; L242-R244 HydrophobicContact CD2-CB 3.73Å
243L87.8Confident79.9Confident33 Ų3355.2 Ų55.217%0.17328%0.275CS..EExtended strand (participates in β ladder)trans-111118170.1-179.964000109.7W43 L55 L56 C57W43-L243 HydrophobicContact CB-CD2 3.97Å; W43-L243 HydrophobicContact CD2-CB 3.74Å; W43-L243 HydrophobicContact CD2-CD2 3.92Å; W43-L243 HydrophobicContact CD2-CG 4.39Å; W43-L243 HydrophobicContact CE3-CB 3.81Å; W43-L243 HydrophobicContact CE3-CD2 3.9Å; W43-L243 HydrophobicContact CG-CB 4.35Å; W43-L243 HydrophobicContact CG-CD2 3.95Å; W43-L243 HydrophobicContact CH2-CB 3.99Å; W43-L243 HydrophobicContact CZ2-CB 3.94Å; W43-L243 HydrophobicContact CZ3-CB 3.94Å; L55-L243 PolarHBondContact O-N 2.94Å; L56-L243 HydrophobicContact CD1-CB 4.33Å; L56-L243 HydrophobicContact CD1-CD2 3.87Å; L56-L243 HydrophobicContact CD1-CG 4.29Å; C57-L243 CarbonylContact C-O 3.25Å; C57-L243 WeakPolarHBondContact CA-O 3.2Å; C57-L243 WeakPolarHBondContact CB-O 3.43Å; C57-L243 PolarHBondContact N-O 2.95Å
244R85.5Confident80Confident68 Ų6855.5 Ų55.526%0.25728%0.276SS..  trans-129.8130177.4175.6-179.1175.9105-9.4110.5C57 L242 L501C57-R244 HydrophobicContact CB-CB 3.99Å; C57-R244 HydrophobicContact CB-CG 4.48Å; L242-R244 HydrophobicContact CD2-CB 3.73Å; R244-L501 VanDerWaalsContact NH1-CD1 3.25Å
245R85Confident80.2Confident25 Ų2555.8 Ų55.89%0.09428%0.28CS..  trans-134150172.8-63.8167.3-71-158.35.1111.1Y36 D58 E59 L62 V250Y36-R245 PolarHBondContact O-NH1 3.24Å; D58-R245 WeakPolarHBondContact OD1-CB 3.34Å; D58-R245 IonicContact OD1-CZ 3.38Å; D58-R245 PolarHBondContact OD1-N 3.31Å; D58-R245 IonicContact OD1-NE 2.66Å; D58-R245 PolarHBondContact OD1-NE 2.82Å; D58-R245 IonicContact OD1-NH2 3.46Å; D58-R245 PolarHBondContact OD1-NH2 3.47Å; D58-R245 IonicContact OD2-CZ 3.85Å; D58-R245 IonicContact OD2-NE 3.47Å; D58-R245 PolarHBondContact OD2-NE 2.81Å; D58-R245 IonicContact OD2-NH2 3.9Å; D58-R245 PolarHBondContact OD2-NH2 2.93Å; E59-R245 PolarHBondContact N-O 2.64Å; L62-R245 HydrophobicContact CD1-CB 4.09Å; L62-R245 VanDerWaalsContact CD1-O 3.29Å; L62-R245 WeakPolarHBondContact CD1-O 3.23Å; R245-V250 HydrophobicContact CB-CG2 3.93Å; R245-V250 HydrophobicContact CG-CG2 4.43Å
246I80.4Confident80.6Confident42 Ų4258.1 Ų58.122%0.21529%0.291CS..  trans-107.1145.3-178.5-54.2173.6000108.3E59 Q248 N249E59-I246 VanDerWaalsContact OE2-CG2 3.27Å; E59-I246 WeakPolarHBondContact OE2-CG2 3.26Å; I246-Q248 VanDerWaalsContact C-N 3.28Å; I246-Q248 HydrophobicContact CG2-CB 4.41Å; I246-Q248 PolarHBondContact O-N 3.15Å; I246-N249 PolarHBondContact O-N 3.47Å; I246-N249 VanDerWaalsContact O-N 3.11Å
247K78Confident80.9Confident11 Ų1158.6 Ų58.65%0.04829%0.291CS..Hα-helixtrans-54.1-43.2179.5-73.6177.1-172.4163.40112.8E59 M60 L62 N249 V250 L251 L254 H463E59-K247 HydrophobicContact CB-CG 4.45Å; E59-K247 HydrophobicContact CG-CG 4.4Å; E59-K247 VanDerWaalsContact OE1-CD 3.3Å; E59-K247 WeakPolarHBondContact OE1-CD 3.35Å; E59-K247 WeakPolarHBondContact OE1-CE 3.47Å; E59-K247 IonicContact OE1-NZ 2.7Å; E59-K247 WeakPolarHBondContact OE2-CG 3.31Å; E59-K247 PolarHBondContact OE2-N 3.33Å; M60-K247 WeakPolarHBondContact O-CE 3.4Å; M60-K247 PolarHBondContact O-NZ 3.06Å; L62-K247 HydrophobicContact CD2-CG 3.95Å; L62-K247 HydrophobicContact CG-CG 4.24Å; K247-N249 PolarHBondContact O-N 3.11Å; K247-V250 PolarHBondContact O-N 3.01Å; K247-V250 VanDerWaalsContact O-N 3.1Å; K247-L251 HydrophobicContact CG-CD1 4.33Å; K247-L251 PolarHBondContact O-N 3.03Å; K247-L254 HydrophobicContact CD-CD2 4.07Å; K247-H463 PolarHBondContact NZ-O 3.28Å
248Q74.4Confident80.9Confident170 Ų17059.5 Ų59.579%0.79430%0.298SS*.Hα-helixtrans-58.8-32.7-179.4-67.5179-9.600112.7I246 V250I246-Q248 VanDerWaalsContact C-N 3.28Å; I246-Q248 HydrophobicContact CG2-CB 4.41Å; I246-Q248 PolarHBondContact O-N 3.15Å; Q248-V250 VanDerWaalsContact C-N 3.32Å
249N77.9Confident81Confident124 Ų12462.8 Ų62.866%0.66332%0.316SS*.Hα-helixtrans-82.1-13.2-178-64.53.4000113.1I246 K247I246-N249 PolarHBondContact O-N 3.47Å; I246-N249 VanDerWaalsContact O-N 3.11Å; K247-N249 PolarHBondContact O-N 3.11Å
250V77.7Confident81.2Confident31 Ų3154.6 Ų54.619%0.18829%0.286CS..Hα-helixtrans-129.2-37.4-160.3170.70000113Y36 L62 R245 K247 Q248Y36-V250 HydrophobicContact CD1-CB 4.44Å; Y36-V250 HydrophobicContact CD1-CG1 2.96Å; Y36-V250 HydrophobicContact CD2-CG1 3.51Å; Y36-V250 HydrophobicContact CE1-CG1 3.29Å; Y36-V250 HydrophobicContact CE2-CG1 3.85Å; Y36-V250 HydrophobicContact CG-CB 4.38Å; Y36-V250 HydrophobicContact CG-CG1 3.03Å; L62-V250 HydrophobicContact CD2-CB 4.44Å; L62-V250 HydrophobicContact CD2-CG1 4.15Å; R245-V250 HydrophobicContact CB-CG2 3.93Å; R245-V250 HydrophobicContact CG-CG2 4.43Å; K247-V250 PolarHBondContact O-N 3.01Å; K247-V250 VanDerWaalsContact O-N 3.1Å; Q248-V250 VanDerWaalsContact C-N 3.32Å
251L74.3Confident81.2Confident10 Ų1056.2 Ų56.25%0.05229%0.294CS..  trans-111.876.5-176.8-66.4177.5000109.1Y36 L62 K247 D253 L254 I465Y36-L251 HydrophobicContact CE1-CD2 3.89Å; L62-L251 HydrophobicContact CD2-CD1 3.63Å; L62-L251 HydrophobicContact CD2-CG 3.88Å; K247-L251 HydrophobicContact CG-CD1 4.33Å; K247-L251 PolarHBondContact O-N 3.03Å; L251-D253 PolarHBondContact O-N 3.32Å; L251-L254 HydrophobicContact CB-CB 3.94Å; L251-L254 HydrophobicContact CD1-CD2 4.25Å; L251-L254 PolarHBondContact O-N 3.15Å; L251-I465 HydrophobicContact CD1-CD1 4.09Å; L251-I465 HydrophobicContact CD1-CG1 3.64Å; L251-I465 HydrophobicContact CD2-CD1 4.3Å; L251-I465 HydrophobicContact CD2-CG1 4.32Å
252T70.3Confident81Confident126 Ų12656.2 Ų56.277%0.77329%0.294SS*.THydrogen-bonded Turntrans-62.8-25.1172.148.40000112.5
253D76.1Confident80.8Confident113 Ų11355.3 Ų55.360%0.60429%0.289SS*.THydrogen-bonded Turntrans-87.2-8.1-177-36.5-35.1000113.7R34 L251R34-D253 IonicContact CZ-OD2 2.82Å; R34-D253 IonicContact NH1-OD2 3.21Å; R34-D253 PolarHBondContact NH1-OD2 3.49Å; R34-D253 IonicContact NH2-OD2 2.62Å; L251-D253 PolarHBondContact O-N 3.32Å
254L79.6Confident80.7Confident29 Ų2953.9 Ų53.915%0.15228%0.281CS..SBendtrans-74.5129.5-177.5-174.169.9000109.1K247 L251 H463 R464 Q467K247-L254 HydrophobicContact CD-CD2 4.07Å; L251-L254 HydrophobicContact CB-CB 3.94Å; L251-L254 HydrophobicContact CD1-CD2 4.25Å; L251-L254 PolarHBondContact O-N 3.15Å; L254-H463 WeakPolarHBondContact CD2-CE1 3.28Å; L254-R464 WeakPolarHBondContact CD1-O 3.32Å; L254-Q467 HydrophobicContact CD1-CB 4.38Å
255P81.3Confident80.6Confident22 Ų2252.4 Ų52.414%0.14328%0.281CS..PPolyproline II helixtrans-54.1144.2177.7-2734.7000112H463 Q467 K468 K469 P470P255-H463 PolarHBondContact O-NE2 3.33Å; P255-Q467 WeakPolarHBondContact CD-O 3.32Å; P255-K468 WeakPolarHBondContact CG-O 3.07Å; P255-K469 WeakPolarHBondContact CB-O 3.4Å; P255-P470 HydrophobicContact CB-CB 4.45Å
256P82.2Confident80.5Confident88 Ų8852 Ų5257%0.57128%0.281SS*.PPolyproline II helixtrans-63.6149.6-176.526.8-34.5000111.1P470 V471P256-P470 HydrophobicContact CG-CB 4.36Å; P256-V471 PolarHBondContact O-N 3.34Å
257R84.1Confident80.8Confident87 Ų8751 Ų5133%0.32828%0.277SS..EExtended strand (participates in β ladder)trans-110.7132173.1-177.6-175.9107.9-169-3.3108.5D259 V471 I473R257-D259 IonicContact CZ-OD1 2.85Å; R257-D259 IonicContact CZ-OD2 3.8Å; R257-D259 IonicContact NE-OD1 3.36Å; R257-D259 PolarHBondContact NE-OD1 2.99Å; R257-D259 IonicContact NE-OD2 3.49Å; R257-D259 IonicContact NH2-OD1 3.48Å; R257-D259 IonicContact NH2-OD2 2.79Å; R257-D259 PolarHBondContact NH2-OD2 3.12Å; R257-V471 WeakPolarHBondContact CA-O 3.26Å; R257-I473 HydrophobicContact CG-CD1 3.69Å; R257-I473 HydrophobicContact CG-CG1 4.37Å
258A82.1Confident81Confident19 Ų1953 Ų5316%0.15730%0.301CS..EExtended strand (participates in β ladder)trans-113128.5169.100000109.7I260 V471 I473 I572A258-I260 HydrophobicContact CB-CG1 4.49Å; A258-V471 PolarHBondContact N-O 3.42Å; A258-I473 PolarHBondContact O-N 2.94Å; A258-I572 HydrophobicContact CB-CD1 3.95Å
259D83.2Confident81.6Confident94 Ų9448.3 Ų48.350%0.50328%0.281SS..EExtended strand (participates in β ladder)trans-98.3115174.6-62.7-9.4000107.3R257 I473R257-D259 IonicContact CZ-OD1 2.85Å; R257-D259 IonicContact CZ-OD2 3.8Å; R257-D259 IonicContact NE-OD1 3.36Å; R257-D259 PolarHBondContact NE-OD1 2.99Å; R257-D259 IonicContact NE-OD2 3.49Å; R257-D259 IonicContact NH2-OD1 3.48Å; R257-D259 IonicContact NH2-OD2 2.79Å; R257-D259 PolarHBondContact NH2-OD2 3.12Å; D259-I473 WeakPolarHBondContact OD1-CD1 3.45Å
260I84.9Confident82.1Confident16 Ų1642.4 Ų42.48%0.08225%0.249CC..EExtended strand (participates in β ladder)trans-116.3127.2-173.9-56.2175000108.2A258 I262 I473 V474 R475 L559 L594A258-I260 HydrophobicContact CB-CG1 4.49Å; I260-I262 HydrophobicContact CG2-CG1 4.05Å; I260-I473 PolarHBondContact N-O 2.61Å; I260-V474 CarbonylContact O-C 3.57Å; I260-V474 WeakPolarHBondContact O-CA 3.28Å; I260-R475 PolarHBondContact O-N 3.26Å; I260-L559 HydrophobicContact CD1-CD2 3.71Å; I260-L594 HydrophobicContact CG2-CD2 4.12Å
261L84.7Confident82.4Confident41 Ų4141.8 Ų41.822%0.21525%0.245CC..EExtended strand (participates in β ladder)trans-105.2115.9175.9179.662.5000109Y263 R475 V477 L487 L594L261-Y263 HydrophobicContact CD2-CD2 4.43Å; L261-Y263 HydrophobicContact CD2-CE1 4.23Å; L261-Y263 HydrophobicContact CD2-CE2 3.57Å; L261-Y263 VanDerWaalsContact CD2-CZ 3.45Å; L261-Y263 VanDerWaalsContact CD2-OH 3.29Å; L261-Y263 WeakPolarHBondContact CD2-OH 3.43Å; L261-Y263 HydrophobicContact CG-CD2 4.34Å; L261-Y263 HydrophobicContact CG-CE2 3.94Å; L261-R475 HydrophobicContact CD1-CB 3.95Å; L261-V477 HydrophobicContact CD1-CB 3.91Å; L261-V477 HydrophobicContact CD1-CG2 3.49Å; L261-V477 VanDerWaalsContact CD1-CG2 3.49Å; L261-L487 HydrophobicContact CD1-CD2 3.71Å; L261-L487 HydrophobicContact CD2-CD2 3.59Å; L261-L487 HydrophobicContact CG-CD2 4.32Å; L261-L594 WeakPolarHBondContact O-CD2 3.3Å
262I84.4Confident82.9Confident0 Ų048.4 Ų48.40%027%0.274CS..EExtended strand (participates in β ladder)trans-105.6114.8178.1-55.3-178.3000108.9I260 L341 L345 V474 R475 L476 V477 I558 V592I260-I262 HydrophobicContact CG2-CG1 4.05Å; I262-L341 HydrophobicContact CB-CD2 4.46Å; I262-L341 HydrophobicContact CG2-CD1 4.32Å; I262-L341 HydrophobicContact CG2-CD2 3.62Å; I262-L345 HydrophobicContact CD1-CD1 3.89Å; I262-V474 HydrophobicContact CD1-CG1 3.45Å; I262-V474 VanDerWaalsContact CD1-CG1 3.45Å; I262-V474 HydrophobicContact CG1-CG1 3.89Å; I262-R475 PolarHBondContact N-O 3.39Å; I262-L476 HydrophobicContact CB-CD2 4.12Å; I262-L476 HydrophobicContact CD1-CD2 4.47Å; I262-V477 PolarHBondContact O-N 2.87Å; I262-I558 HydrophobicContact CD1-CG2 4.41Å; I262-V592 HydrophobicContact CG2-CG1 3.85Å; I262-V592 HydrophobicContact CG2-CG2 4.12Å
263Y83.5Confident83.7Confident12 Ų1243.6 Ų43.65%0.04724%0.243CC..EExtended strand (participates in β ladder)trans-85.6136.6175.1-77-68.2000111.6L261 V477 R479 E484 W591 V592 L593L261-Y263 HydrophobicContact CD2-CD2 4.43Å; L261-Y263 HydrophobicContact CD2-CE1 4.23Å; L261-Y263 HydrophobicContact CD2-CE2 3.57Å; L261-Y263 VanDerWaalsContact CD2-CZ 3.45Å; L261-Y263 VanDerWaalsContact CD2-OH 3.29Å; L261-Y263 WeakPolarHBondContact CD2-OH 3.43Å; L261-Y263 HydrophobicContact CG-CD2 4.34Å; L261-Y263 HydrophobicContact CG-CE2 3.94Å; Y263-V477 CarbonylContact C-O 3.56Å; Y263-V477 VanDerWaalsContact CA-O 3.25Å; Y263-V477 WeakPolarHBondContact CA-O 3.28Å; Y263-V477 HydrophobicContact CD1-CB 4.28Å; Y263-V477 HydrophobicContact CD1-CG1 4.19Å; Y263-V477 HydrophobicContact CE1-CB 4.32Å; Y263-V477 HydrophobicContact CE1-CG1 3.96Å; Y263-R479 HydrophobicContact CD1-CG 3.36Å; Y263-R479 HydrophobicContact CE1-CG 4.18Å; Y263-R479 HydrophobicContact CG-CG 3.72Å; Y263-E484 HydrophobicContact CE1-CG 3.82Å; Y263-W591 VanDerWaalsContact O-O 3.05Å; Y263-V592 WeakPolarHBondContact O-CA 3.32Å; Y263-L593 WeakPolarHBondContact CD2-O 3.34Å
264H84.9Confident84.1Confident4 Ų438.7 Ų38.72%0.01922%0.216CC..EExtended strand (participates in β ladder)trans-132.7161.4172.969.989.9000111.5S337 K338 L341 V477 C478 R479H264-S337 PolarHBondContact CE1-OG 3.5Å; H264-S337 PolarHBondContact ND1-OG 3.47Å; H264-K338 WeakPolarHBondContact CE1-CG 3.49Å; H264-K338 WeakPolarHBondContact NE2-CE 3.43Å; H264-K338 WeakPolarHBondContact NE2-CG 3.27Å; H264-L341 HydrophobicContact CB-CD2 4.05Å; H264-V477 VanDerWaalsContact CD2-C 3.48Å; H264-V477 PolarHBondContact CD2-O 3.33Å; H264-V477 VanDerWaalsContact CD2-O 3.28Å; H264-V477 PolarHBondContact N-O 3.31Å; H264-C478 WeakPolarHBondContact CE1-CB 3.41Å; H264-C478 VanDerWaalsContact CE1-SG 3.57Å; H264-C478 WeakPolarHBondContact NE2-CB 3.49Å; H264-C478 PolarHBondContact NE2-N 3.3Å; H264-C478 WeakPolarHBondContact O-CA 3.42Å; H264-C478 PolarHBondContact O-SG 3.21Å; H264-C478 VanDerWaalsContact O-SG 3.35Å; H264-R479 PolarHBondContact O-N 3.11Å
265S82.7Confident84.2Confident36 Ų3641.3 Ų41.325%0.25222%0.224SC..PPolyproline II helixtrans-95168.1175.252.50000111.5S337 W591S265-S337 WeakPolarHBondContact O-CB 3.19Å; S265-S337 PolarHBondContact O-OG 3.06Å; S265-W591 WeakPolarHBondContact OG-CH2 3.47Å; S265-W591 WeakPolarHBondContact OG-CZ3 3.16Å
266L84.1Confident84.3Confident18 Ų1843.6 Ų43.69%0.09424%0.237CC..PPolyproline II helixtrans-81.8145.7174.6-66.7175.6000110.8Q270 T271 Y274 V312 C478 T481 L533L266-Q270 HydrophobicContact CB-CB 4Å; L266-Q270 HydrophobicContact CD2-CB 3.97Å; L266-Q270 HydrophobicContact CG-CB 4.46Å; L266-T271 WeakPolarHBondContact CB-OG1 3.33Å; L266-Y274 HydrophobicContact CD1-CD2 4.3Å; L266-Y274 HydrophobicContact CD1-CG 4.2Å; L266-V312 HydrophobicContact CD2-CG2 4.16Å; L266-C478 WeakPolarHBondContact CD2-SG 3.34Å; L266-C478 VanDerWaalsContact CG-SG 3.59Å; L266-T481 HydrophobicContact CD1-CG2 3.96Å; L266-T481 HydrophobicContact CD2-CG2 4.34Å; L266-T481 HydrophobicContact CG-CG2 4.18Å; L266-L533 HydrophobicContact CD1-CD2 3.93Å
267T86.6Confident84.4Confident20 Ų2040.4 Ų40.412%0.12322%0.215CC..PPolyproline II helixtrans-70.7159.3168.665.70000110.9L269 Q270 T271 A335 S337T267-L269 PolarHBondContact O-N 3.28Å; T267-L269 VanDerWaalsContact O-N 3.14Å; T267-Q270 VanDerWaalsContact N-OE1 3.07Å; T267-Q270 WeakPolarHBondContact O-CA 3.46Å; T267-Q270 WeakPolarHBondContact O-CB 3.37Å; T267-Q270 PolarHBondContact O-N 2.56Å; T267-Q270 VanDerWaalsContact OG1-CG 3.28Å; T267-Q270 WeakPolarHBondContact OG1-CG 3.49Å; T267-Q270 PolarHBondContact OG1-N 2.84Å; T267-Q270 PolarHBondContact OG1-OE1 3.11Å; T267-T271 PolarHBondContact O-N 2.84Å; T267-T271 PolarHBondContact O-OG1 2.91Å; T267-T271 VanDerWaalsContact O-OG1 3.13Å; T267-A335 PolarHBondContact OG1-O 3.28Å; T267-S337 VanDerWaalsContact CG2-N 3.29Å
268G82.3Confident84.3Confident54 Ų5436.5 Ų36.556%0.55720%0.201SC*.Hα-helixtrans-55.6-33.4177.200000113.8K272G268-K272 VanDerWaalsContact O-CG 3.3Å; G268-K272 WeakPolarHBondContact O-CG 3.19Å; G268-K272 PolarHBondContact O-N 3.12Å
269L85.7Confident84Confident71 Ų7137.2 Ų37.237%0.37220%0.204SC..Hα-helixtrans-68.7-47173.1179.461.8000111.7T267 T271 K272 I273 P315 V321 A335T267-L269 PolarHBondContact O-N 3.28Å; T267-L269 VanDerWaalsContact O-N 3.14Å; L269-T271 PolarHBondContact O-N 3.23Å; L269-K272 PolarHBondContact O-N 3.04Å; L269-I273 HydrophobicContact CD1-CD1 4.14Å; L269-I273 HydrophobicContact CG-CD1 4.11Å; L269-I273 WeakPolarHBondContact O-CG1 3.42Å; L269-I273 PolarHBondContact O-N 3.23Å; L269-I273 VanDerWaalsContact O-N 3.13Å; L269-P315 HydrophobicContact CD2-CB 3.93Å; L269-P315 HydrophobicContact CD2-CG 4.06Å; L269-P315 HydrophobicContact CG-CB 4.33Å; L269-P315 HydrophobicContact CG-CG 4.33Å; L269-V321 HydrophobicContact CD2-CG1 4.23Å; L269-A335 HydrophobicContact CD2-CB 4.38Å
270Q88.6Confident83.6Confident0 Ų041.2 Ų41.20%021%0.212CC..Hα-helixtrans-59.6-45.1176.8-73.3178.1-57.900111.4L266 T267 K272 I273 Y274 C311 V312 P315 S337L266-Q270 HydrophobicContact CB-CB 4Å; L266-Q270 HydrophobicContact CD2-CB 3.97Å; L266-Q270 HydrophobicContact CG-CB 4.46Å; T267-Q270 VanDerWaalsContact N-OE1 3.07Å; T267-Q270 WeakPolarHBondContact O-CA 3.46Å; T267-Q270 WeakPolarHBondContact O-CB 3.37Å; T267-Q270 PolarHBondContact O-N 2.56Å; T267-Q270 VanDerWaalsContact OG1-CG 3.28Å; T267-Q270 WeakPolarHBondContact OG1-CG 3.49Å; T267-Q270 PolarHBondContact OG1-N 2.84Å; T267-Q270 PolarHBondContact OG1-OE1 3.11Å; Q270-K272 VanDerWaalsContact C-N 3.34Å; Q270-K272 PolarHBondContact O-N 3.4Å; Q270-I273 PolarHBondContact O-N 2.66Å; Q270-Y274 VanDerWaalsContact O-CB 3.26Å; Q270-Y274 WeakPolarHBondContact O-CB 3.25Å; Q270-Y274 PolarHBondContact O-N 3.19Å; Q270-C311 PolarHBondContact NE2-O 3.27Å; Q270-C311 PolarHBondContact O-SG 3.05Å; Q270-C311 VanDerWaalsContact O-SG 3.37Å; Q270-V312 PolarHBondContact NE2-O 2.9Å; Q270-V312 VanDerWaalsContact NE2-O 3.07Å; Q270-P315 HydrophobicContact CG-CG 3.58Å; Q270-S337 PolarHBondContact OE1-OG 3.06Å
271T85.2Confident83.1Confident18 Ų1842.2 Ų42.211%0.1122%0.217CC..Hα-helixtrans-59.6-42.8178.8-57.30000111.9L266 T267 L269 Y274 R275 T537L266-T271 WeakPolarHBondContact CB-OG1 3.33Å; T267-T271 PolarHBondContact O-N 2.84Å; T267-T271 PolarHBondContact O-OG1 2.91Å; T267-T271 VanDerWaalsContact O-OG1 3.13Å; L269-T271 PolarHBondContact O-N 3.23Å; T271-Y274 PolarHBondContact O-N 2.87Å; T271-R275 WeakPolarHBondContact O-CB 3.38Å; T271-R275 PolarHBondContact O-N 3.07Å; T271-T537 HydrophobicContact CG2-CG2 4.13Å
272K84.8Confident82.5Confident148 Ų14840.4 Ų40.464%0.64321%0.208SC*.Hα-helixtrans-60.2-48.5175.5-73.4172.7-175.1-1790111.7G268 L269 Q270 R275 V276G268-K272 VanDerWaalsContact O-CG 3.3Å; G268-K272 WeakPolarHBondContact O-CG 3.19Å; G268-K272 PolarHBondContact O-N 3.12Å; L269-K272 PolarHBondContact O-N 3.04Å; Q270-K272 VanDerWaalsContact C-N 3.34Å; Q270-K272 PolarHBondContact O-N 3.4Å; K272-R275 PolarHBondContact O-N 2.88Å; K272-V276 VanDerWaalsContact O-CG2 3.31Å; K272-V276 WeakPolarHBondContact O-CG2 3.39Å; K272-V276 PolarHBondContact O-N 3.45Å
273I86.2Confident81.8Confident26 Ų2642.7 Ų42.713%0.13322%0.22CC..Hα-helixtrans-64.9-43.6179.4-63.5167.6000110.5L269 Q270 R275 V276 L277 C311 P315 F318 V321L269-I273 HydrophobicContact CD1-CD1 4.14Å; L269-I273 HydrophobicContact CG-CD1 4.11Å; L269-I273 WeakPolarHBondContact O-CG1 3.42Å; L269-I273 PolarHBondContact O-N 3.23Å; L269-I273 VanDerWaalsContact O-N 3.13Å; Q270-I273 PolarHBondContact O-N 2.66Å; I273-R275 PolarHBondContact O-N 3.08Å; I273-V276 PolarHBondContact O-N 2.97Å; I273-L277 HydrophobicContact CG2-CD1 4.01Å; I273-L277 HydrophobicContact CG2-CG 4.34Å; I273-L277 VanDerWaalsContact O-CG 3.32Å; I273-L277 WeakPolarHBondContact O-CG 3.25Å; I273-L277 PolarHBondContact O-N 2.9Å; I273-C311 HydrophobicContact CG2-CB 4.44Å; I273-P315 HydrophobicContact CD1-CB 3.94Å; I273-F318 HydrophobicContact CG2-CD2 4.08Å; I273-F318 HydrophobicContact CG2-CE2 3.88Å; I273-V321 HydrophobicContact CD1-CG1 3.75Å; I273-V321 HydrophobicContact CD1-CG2 4.12Å
274Y85.8Confident81Confident10 Ų1042.1 Ų42.14%0.03922%0.218CC..Hα-helixtrans-58.6-46.3178.6-159.6-90.4000111.4L266 Q270 T271 L277 L278 L308 C311 V312 T481 V482 L533L266-Y274 HydrophobicContact CD1-CD2 4.3Å; L266-Y274 HydrophobicContact CD1-CG 4.2Å; Q270-Y274 VanDerWaalsContact O-CB 3.26Å; Q270-Y274 WeakPolarHBondContact O-CB 3.25Å; Q270-Y274 PolarHBondContact O-N 3.19Å; T271-Y274 PolarHBondContact O-N 2.87Å; Y274-L277 PolarHBondContact O-N 3.39Å; Y274-L278 HydrophobicContact CD1-CD1 3.57Å; Y274-L278 HydrophobicContact CD1-CG 4.41Å; Y274-L278 HydrophobicContact CE1-CD1 3.55Å; Y274-L278 HydrophobicContact CE1-CG 4.38Å; Y274-L278 WeakPolarHBondContact O-CG 3.47Å; Y274-L278 PolarHBondContact O-N 3.47Å; Y274-L278 VanDerWaalsContact O-N 3.17Å; Y274-L308 HydrophobicContact CD1-CD2 4.37Å; Y274-L308 HydrophobicContact CD2-CD2 3.81Å; Y274-L308 HydrophobicContact CE1-CD2 4.19Å; Y274-L308 HydrophobicContact CE2-CB 3.88Å; Y274-L308 HydrophobicContact CE2-CD2 3.59Å; Y274-L308 HydrophobicContact CE2-CG 4.21Å; Y274-L308 HydrophobicContact CG-CD2 4.19Å; Y274-C311 HydrophobicContact CD2-CB 4.29Å; Y274-V312 HydrophobicContact CD2-CG2 4.2Å; Y274-V312 HydrophobicContact CE2-CG2 3.81Å; Y274-T481 HydrophobicContact CE2-CG2 4.48Å; Y274-V482 WeakPolarHBondContact OH-CG2 3.22Å; Y274-V482 PolarHBondContact OH-N 3.41Å; Y274-L533 HydrophobicContact CD1-CD1 3.78Å; Y274-L533 HydrophobicContact CE1-CD1 3.61Å
275R81.6Confident80Confident84 Ų8442.2 Ų42.232%0.31722%0.218SC..Hα-helixtrans-60-48.5174.6-176.4175.3176.8175.9-3.2111.6T271 K272 I273 L277 L278 T279 L534 T537T271-R275 WeakPolarHBondContact O-CB 3.38Å; T271-R275 PolarHBondContact O-N 3.07Å; K272-R275 PolarHBondContact O-N 2.88Å; I273-R275 PolarHBondContact O-N 3.08Å; R275-L277 VanDerWaalsContact C-N 3.3Å; R275-L277 PolarHBondContact O-N 3.36Å; R275-L278 PolarHBondContact O-N 2.93Å; R275-T279 PolarHBondContact O-N 3.46Å; R275-T279 PolarHBondContact O-OG1 3.41Å; R275-L534 HydrophobicContact CG-CD2 4.19Å; R275-T537 PolarHBondContact NH1-OG1 3.31Å
276V81.9Confident79.1Confident69 Ų6944.7 Ų44.742%0.41823%0.226SC..Hα-helixtrans-59.8-40.1179171.10000111.9K272 I273 L278 R280K272-V276 VanDerWaalsContact O-CG2 3.31Å; K272-V276 WeakPolarHBondContact O-CG2 3.39Å; K272-V276 PolarHBondContact O-N 3.45Å; I273-V276 PolarHBondContact O-N 2.97Å; V276-L278 VanDerWaalsContact C-N 3.34Å; V276-L278 PolarHBondContact O-N 3.1Å; V276-R280 HydrophobicContact CG1-CG 4.33Å; V276-R280 WeakPolarHBondContact O-CB 3.35Å; V276-R280 VanDerWaalsContact O-CG 3.31Å; V276-R280 WeakPolarHBondContact O-CG 3.26Å; V276-R280 PolarHBondContact O-N 2.82Å
277L85Confident78Confident22 Ų2245 Ų4512%0.11523%0.23CC..Hα-helixtrans-63.7-39.6178-72.3170.9000112.3I273 Y274 R275 N281 L304 N307 L308 C311 F318I273-L277 HydrophobicContact CG2-CD1 4.01Å; I273-L277 HydrophobicContact CG2-CG 4.34Å; I273-L277 VanDerWaalsContact O-CG 3.32Å; I273-L277 WeakPolarHBondContact O-CG 3.25Å; I273-L277 PolarHBondContact O-N 2.9Å; Y274-L277 PolarHBondContact O-N 3.39Å; R275-L277 VanDerWaalsContact C-N 3.3Å; R275-L277 PolarHBondContact O-N 3.36Å; L277-N281 PolarHBondContact O-ND2 3.49Å; L277-L304 HydrophobicContact CB-CD1 4.48Å; L277-N307 HydrophobicContact CD1-CB 4.44Å; L277-N307 HydrophobicContact CD2-CB 4.4Å; L277-L308 HydrophobicContact CB-CD2 3.97Å; L277-L308 HydrophobicContact CD1-CD2 4.21Å; L277-C311 HydrophobicContact CD1-CB 4.09Å; L277-F318 HydrophobicContact CD1-CE1 4.4Å; L277-F318 HydrophobicContact CD1-CE2 4.25Å; L277-F318 HydrophobicContact CD1-CZ 3.67Å; L277-F318 HydrophobicContact CD2-CE1 4.44Å; L277-F318 HydrophobicContact CD2-CZ 4.49Å
278L82Confident76.6Confident5 Ų544.4 Ų44.43%0.02623%0.226CC..Hα-helixtrans-71.5-47.2176.8-69165.2000111.9Y274 R275 V276 R280 N281 A282 F285 L308 L526 L530Y274-L278 HydrophobicContact CD1-CD1 3.57Å; Y274-L278 HydrophobicContact CD1-CG 4.41Å; Y274-L278 HydrophobicContact CE1-CD1 3.55Å; Y274-L278 HydrophobicContact CE1-CG 4.38Å; Y274-L278 WeakPolarHBondContact O-CG 3.47Å; Y274-L278 PolarHBondContact O-N 3.47Å; Y274-L278 VanDerWaalsContact O-N 3.17Å; R275-L278 PolarHBondContact O-N 2.93Å; V276-L278 VanDerWaalsContact C-N 3.34Å; V276-L278 PolarHBondContact O-N 3.1Å; L278-R280 VanDerWaalsContact C-N 3.35Å; L278-R280 PolarHBondContact O-N 2.84Å; L278-N281 CarbonylContact O-C 3.54Å; L278-N281 PolarHBondContact O-N 3.4Å; L278-A282 PolarHBondContact O-N 3.11Å; L278-A282 VanDerWaalsContact O-N 3.14Å; L278-F285 HydrophobicContact CD2-CZ 4.39Å; L278-L308 HydrophobicContact CD2-CD1 4.03Å; L278-L308 HydrophobicContact CD2-CD2 4.27Å; L278-L308 HydrophobicContact CG-CD2 4.18Å; L278-L526 HydrophobicContact CD2-CD2 4.42Å; L278-L530 HydrophobicContact CD1-CD2 3.29Å; L278-L530 HydrophobicContact CD2-CD2 4.48Å; L278-L530 HydrophobicContact CG-CD2 4.44Å
279T75.9Confident75.4Confident34 Ų3446.1 Ų46.121%0.20923%0.226CC..Hα-helixtrans-62.1-40.3179.7-52.90000112R275 N281 A282R275-T279 PolarHBondContact O-N 3.46Å; R275-T279 PolarHBondContact O-OG1 3.41Å; T279-N281 PolarHBondContact O-N 3.28Å; T279-A282 VanDerWaalsContact O-CB 3.28Å; T279-A282 WeakPolarHBondContact O-CB 3.39Å; T279-A282 PolarHBondContact O-N 2.79Å
280R75.4Confident74.2Confident178 Ų17847.4 Ų47.467%0.67223%0.233SC*.Hα-helixtrans-64-29.3178.6-79.4-175.9176.8-179.81.9113.6V276 L278V276-R280 HydrophobicContact CG1-CG 4.33Å; V276-R280 WeakPolarHBondContact O-CB 3.35Å; V276-R280 VanDerWaalsContact O-CG 3.31Å; V276-R280 WeakPolarHBondContact O-CG 3.26Å; V276-R280 PolarHBondContact O-N 2.82Å; L278-R280 VanDerWaalsContact C-N 3.35Å; L278-R280 PolarHBondContact O-N 2.84Å
281N74.6Confident72.6Confident36 Ų3655.6 Ų55.619%0.19327%0.271CS..THydrogen-bonded Turntrans-106.322.3-179.8-65-73.9000111.7L277 L278 T279 D283 L284 L304L277-N281 PolarHBondContact O-ND2 3.49Å; L278-N281 CarbonylContact O-C 3.54Å; L278-N281 PolarHBondContact O-N 3.4Å; T279-N281 PolarHBondContact O-N 3.28Å; N281-D283 VanDerWaalsContact CA-OD1 3.31Å; N281-D283 WeakPolarHBondContact CA-OD1 3.49Å; N281-D283 PolarHBondContact O-N 3.19Å; N281-L284 HydrophobicContact CB-CD1 3.85Å; N281-L284 HydrophobicContact CB-CG 4.23Å; N281-L284 VanDerWaalsContact O-CB 3.32Å; N281-L284 WeakPolarHBondContact O-CB 3.45Å; N281-L284 PolarHBondContact O-N 3.31Å; N281-L304 HydrophobicContact CB-CD1 4.34Å; N281-L304 HydrophobicContact CB-CD2 4.06Å
282A71.2Confident71.2Confident4 Ų460 Ų603%0.03329%0.291CS..Hα-helixtrans-62.4-27.5-179.500000112.2L278 T279 L284 F285 Y618L278-A282 PolarHBondContact O-N 3.11Å; L278-A282 VanDerWaalsContact O-N 3.14Å; T279-A282 VanDerWaalsContact O-CB 3.28Å; T279-A282 WeakPolarHBondContact O-CB 3.39Å; T279-A282 PolarHBondContact O-N 2.79Å; A282-L284 PolarHBondContact O-N 3.31Å; A282-F285 HydrophobicContact CB-CD2 4.46Å; A282-F285 WeakPolarHBondContact O-CB 3.48Å; A282-F285 WeakPolarHBondContact O-CD2 3.29Å; A282-F285 PolarHBondContact O-N 3.37Å; A282-F285 VanDerWaalsContact O-N 3.13Å; A282-Y618 HydrophobicContact CB-CD2 4.21Å; A282-Y618 HydrophobicContact CB-CG 4.01Å
283D70.1Confident69.8Low47 Ų4758.3 Ų58.325%0.25129%0.289SS..Hα-helixtrans-56.4-34.3173.166.4-38.8000112.8N281 F285 Q286 S287 R300N281-D283 VanDerWaalsContact CA-OD1 3.31Å; N281-D283 WeakPolarHBondContact CA-OD1 3.49Å; N281-D283 PolarHBondContact O-N 3.19Å; D283-F285 VanDerWaalsContact C-N 3.27Å; D283-F285 PolarHBondContact O-N 3.42Å; D283-Q286 PolarHBondContact O-N 3.47Å; D283-Q286 VanDerWaalsContact O-N 3.12Å; D283-S287 PolarHBondContact O-N 2.93Å; D283-S287 VanDerWaalsContact O-N 3.15Å; D283-R300 IonicContact OD1-NH2 3.62Å; D283-R300 PolarHBondContact OD1-NH2 2.79Å; D283-R300 IonicContact OD2-CZ 3.76Å; D283-R300 IonicContact OD2-NH1 2.91Å; D283-R300 PolarHBondContact OD2-NH1 3.04Å; D283-R300 IonicContact OD2-NH2 3.41Å; D283-R300 PolarHBondContact OD2-NH2 3.33Å
284L66.4Low68.7Low0 Ų060.9 Ų60.90%030%0.302CS..Hα-helixtrans-61.6-37.4178.1-63-179.1000111.3N281 A282 Q286 S287 I288 I297 R300 L301 L304N281-L284 HydrophobicContact CB-CD1 3.85Å; N281-L284 HydrophobicContact CB-CG 4.23Å; N281-L284 VanDerWaalsContact O-CB 3.32Å; N281-L284 WeakPolarHBondContact O-CB 3.45Å; N281-L284 PolarHBondContact O-N 3.31Å; A282-L284 PolarHBondContact O-N 3.31Å; L284-Q286 VanDerWaalsContact C-N 3.26Å; L284-Q286 PolarHBondContact O-N 3.24Å; L284-S287 PolarHBondContact O-N 3.41Å; L284-S287 PolarHBondContact O-OG 3.2Å; L284-I288 WeakPolarHBondContact O-CD1 3.26Å; L284-I288 WeakPolarHBondContact O-CG1 3.29Å; L284-I288 PolarHBondContact O-N 3.06Å; L284-I297 HydrophobicContact CD2-CG2 4.41Å; L284-R300 HydrophobicContact CD1-CB 3.96Å; L284-R300 HydrophobicContact CD2-CB 3.86Å; L284-L301 HydrophobicContact CB-CD2 4Å; L284-L301 HydrophobicContact CD1-CD2 3.86Å; L284-L301 HydrophobicContact CD1-CG 4.33Å; L284-L304 HydrophobicContact CD1-CD2 4.47Å
285F64.5Low67.8Low7 Ų766.6 Ų66.63%0.03133%0.333CS..Hα-helixtrans-63.6-31.8177.3-58-66000112.7L278 A282 D283 I288 T289 L526 V611L278-F285 HydrophobicContact CD2-CZ 4.39Å; A282-F285 HydrophobicContact CB-CD2 4.46Å; A282-F285 WeakPolarHBondContact O-CB 3.48Å; A282-F285 WeakPolarHBondContact O-CD2 3.29Å; A282-F285 PolarHBondContact O-N 3.37Å; A282-F285 VanDerWaalsContact O-N 3.13Å; D283-F285 VanDerWaalsContact C-N 3.27Å; D283-F285 PolarHBondContact O-N 3.42Å; F285-I288 HydrophobicContact CD1-CD1 4.44Å; F285-T289 PolarHBondContact O-N 2.92Å; F285-T289 PolarHBondContact O-OG1 3.37Å; F285-L526 HydrophobicContact CE1-CB 3.66Å; F285-L526 HydrophobicContact CE1-CD1 3.84Å; F285-L526 HydrophobicContact CE1-CG 4.39Å; F285-L526 HydrophobicContact CZ-CB 4.06Å; F285-L526 HydrophobicContact CZ-CD1 4.26Å; F285-V611 HydrophobicContact CG-CG1 4.5Å
286Q63.2Low67.2Low87 Ų8771.6 Ų71.641%0.40735%0.352SS..Hα-helixtrans-72.6-47.6176.4-165.163.523.400111.2D283 L284 I288 T289 D290D283-Q286 PolarHBondContact O-N 3.47Å; D283-Q286 VanDerWaalsContact O-N 3.12Å; L284-Q286 VanDerWaalsContact C-N 3.26Å; L284-Q286 PolarHBondContact O-N 3.24Å; Q286-I288 PolarHBondContact O-N 3.03Å; Q286-I288 VanDerWaalsContact O-N 3.11Å; Q286-T289 WeakPolarHBondContact O-CB 3.45Å; Q286-T289 PolarHBondContact O-N 3.26Å; Q286-D290 PolarHBondContact O-N 3.1Å
287S61.3Low66.7Low26 Ų2669.1 Ų69.118%0.18234%0.336CS..Hα-helixtrans-60.7-24.6176.671.10000112.9D283 L284D283-S287 PolarHBondContact O-N 2.93Å; D283-S287 VanDerWaalsContact O-N 3.15Å; L284-S287 PolarHBondContact O-N 3.41Å; L284-S287 PolarHBondContact O-OG 3.2Å
288I56.9Low65.9Low7 Ų770.6 Ų70.64%0.03634%0.342CS..Hα-helixtrans-68.6-39.3171.8-68.8161.7000112.7L284 F285 Q286 D290 Q291 L301 F519 N523L284-I288 WeakPolarHBondContact O-CD1 3.26Å; L284-I288 WeakPolarHBondContact O-CG1 3.29Å; L284-I288 PolarHBondContact O-N 3.06Å; F285-I288 HydrophobicContact CD1-CD1 4.44Å; Q286-I288 PolarHBondContact O-N 3.03Å; Q286-I288 VanDerWaalsContact O-N 3.11Å; I288-D290 VanDerWaalsContact C-N 3.27Å; I288-D290 PolarHBondContact O-N 2.89Å; I288-Q291 PolarHBondContact O-N 3.41Å; I288-L301 HydrophobicContact CD1-CD1 3.91Å; I288-L301 HydrophobicContact CD1-CD2 3.99Å; I288-L301 HydrophobicContact CG1-CD1 4.23Å; I288-F519 HydrophobicContact CB-CD1 4.4Å; I288-F519 HydrophobicContact CB-CE1 3.63Å; I288-F519 HydrophobicContact CB-CE2 4.32Å; I288-F519 HydrophobicContact CB-CZ 3.62Å; I288-F519 HydrophobicContact CD1-CE2 4.44Å; I288-F519 HydrophobicContact CG1-CD1 4.36Å; I288-F519 HydrophobicContact CG1-CD2 4.18Å; I288-F519 HydrophobicContact CG1-CE1 3.71Å; I288-F519 HydrophobicContact CG1-CE2 3.45Å; I288-F519 VanDerWaalsContact CG1-CE2 3.45Å; I288-F519 HydrophobicContact CG1-CZ 3.23Å; I288-F519 HydrophobicContact CG2-CD1 3.8Å; I288-F519 HydrophobicContact CG2-CE1 3.45Å; I288-F519 VanDerWaalsContact CG2-CE1 3.45Å; I288-F519 HydrophobicContact CG2-CZ 3.96Å; I288-F519 WeakPolarHBondContact O-CE1 3.43Å; I288-N523 HydrophobicContact CD1-CB 4.4Å; I288-N523 HydrophobicContact CG2-CB 4.07Å; I288-N523 VanDerWaalsContact CG2-ND2 3.34Å; I288-N523 WeakPolarHBondContact CG2-ND2 3.45Å
289T57.5Low65.5Low90 Ų9074.5 Ų74.555%0.55236%0.363SS*.Hα-helixtrans-70.2-29.7-178.7-48.70000111.2F285 Q286 Q291F285-T289 PolarHBondContact O-N 2.92Å; F285-T289 PolarHBondContact O-OG1 3.37Å; Q286-T289 WeakPolarHBondContact O-CB 3.45Å; Q286-T289 PolarHBondContact O-N 3.26Å; T289-Q291 PolarHBondContact O-N 3.11Å
290D59.9Low65.6Low98 Ų9878 Ų7852%0.52437%0.373SS..THydrogen-bonded Turntrans-80.57.2-178.9-62.6-23.2000114.2Q286 I288 Q292Q286-D290 PolarHBondContact O-N 3.1Å; I288-D290 VanDerWaalsContact C-N 3.27Å; I288-D290 PolarHBondContact O-N 2.89Å; D290-Q292 PolarHBondContact O-N 3.33Å
291Q55.7Low65.6Low171 Ų17169.5 Ų69.580%0.79934%0.341SS*.THydrogen-bonded Turntrans51.924.3178.6-64.4-172.1-16.500115.2I288 T289 N293I288-Q291 PolarHBondContact O-N 3.41Å; T289-Q291 PolarHBondContact O-N 3.11Å; Q291-N293 PolarHBondContact O-N 3.1Å
292Q54.8Low65.7Low112 Ų11271.5 Ų71.552%0.52335%0.349SS..  trans-79.989.2174.3-66.6-166.9100109.7D290 N294 I297D290-Q292 PolarHBondContact O-N 3.33Å; Q292-N294 PolarHBondContact O-N 3.07Å; Q292-I297 HydrophobicContact CB-CD1 4.44Å; Q292-I297 WeakPolarHBondContact O-CD1 3.33Å
293N56.7Low66.4Low112 Ų11276.2 Ų76.260%0.59937%0.373SS*.  trans-69.977.3172.5-97.5-31.7000110.8Q291Q291-N293 PolarHBondContact O-N 3.1Å
294N62.5Low67.1Low79 Ų7974.1 Ų74.142%0.42236%0.362SS..  trans-102.4132.3174.5-72.3-35.2000110.4Q292 R296 I297 Q298Q292-N294 PolarHBondContact O-N 3.07Å; N294-R296 PolarHBondContact O-N 3.39Å; N294-I297 HydrophobicContact CB-CD1 4.16Å; N294-I297 HydrophobicContact CB-CG1 4.33Å; N294-I297 PolarHBondContact O-N 2.75Å; N294-Q298 PolarHBondContact O-N 3.49Å
295L67.6Low68Low131 Ų13174.3 Ų74.369%0.68636%0.363SS*.Hα-helixtrans-50.4-31.6173.5-71.4167.3000112.4Q298 N299L295-Q298 PolarHBondContact O-N 3.07Å; L295-N299 VanDerWaalsContact O-CG 3.27Å; L295-N299 PolarHBondContact O-N 2.85Å; L295-N299 PolarHBondContact O-ND2 2.89Å
296R69.1Low69.1Low189 Ų18976.8 Ų76.871%0.71338%0.379SS*.Hα-helixtrans-61.9-44.7175.7-67-175.6177.9-172.5-1.1112.7N294 N299 R300N294-R296 PolarHBondContact O-N 3.39Å; R296-N299 PolarHBondContact O-N 3.41Å; R296-R300 WeakPolarHBondContact O-CG 3.4Å; R296-R300 PolarHBondContact O-N 3.43Å
297I69.9Low70.3Confident17 Ų1775 Ų759%0.08737%0.372CS..Hα-helixtrans-68.6-42.5179.8-62166.4000109.4L284 Q292 N294 N299 R300 L301 F519L284-I297 HydrophobicContact CD2-CG2 4.41Å; Q292-I297 HydrophobicContact CB-CD1 4.44Å; Q292-I297 WeakPolarHBondContact O-CD1 3.33Å; N294-I297 HydrophobicContact CB-CD1 4.16Å; N294-I297 HydrophobicContact CB-CG1 4.33Å; N294-I297 PolarHBondContact O-N 2.75Å; I297-N299 VanDerWaalsContact C-N 3.35Å; I297-N299 PolarHBondContact O-N 3.28Å; I297-R300 PolarHBondContact O-N 2.77Å; I297-L301 HydrophobicContact CG2-CD1 3.99Å; I297-L301 HydrophobicContact CG2-CG 4.34Å; I297-L301 WeakPolarHBondContact O-CG 3.07Å; I297-L301 PolarHBondContact O-N 3.1Å; I297-F519 HydrophobicContact CG2-CE2 3.74Å; I297-F519 HydrophobicContact CG2-CZ 4.27Å
298Q68.1Low71.7Confident53 Ų5373.8 Ų73.825%0.24836%0.363CS..Hα-helixtrans-57.8-45.6175.7-67.7-175.5-12.300112N294 L295 R300 L301 Q302N294-Q298 PolarHBondContact O-N 3.49Å; L295-Q298 PolarHBondContact O-N 3.07Å; Q298-R300 PolarHBondContact O-N 3.02Å; Q298-L301 PolarHBondContact O-N 3.15Å; Q298-Q302 WeakPolarHBondContact O-CG 3.16Å; Q298-Q302 PolarHBondContact O-N 2.99Å
299N74.1Confident73.4Confident86 Ų8674 Ų7446%0.4636%0.364SS..Hα-helixtrans-64.1-40.4176.8-70.4-17.1000112.3L295 R296 I297 Q302 N303L295-N299 VanDerWaalsContact O-CG 3.27Å; L295-N299 PolarHBondContact O-N 2.85Å; L295-N299 PolarHBondContact O-ND2 2.89Å; R296-N299 PolarHBondContact O-N 3.41Å; I297-N299 VanDerWaalsContact C-N 3.35Å; I297-N299 PolarHBondContact O-N 3.28Å; N299-Q302 PolarHBondContact O-N 2.9Å; N299-N303 WeakPolarHBondContact O-CB 3.48Å; N299-N303 PolarHBondContact O-N 3.34Å; N299-N303 PolarHBondContact O-ND2 2.8Å
300R77.5Confident75Confident108 Ų10872.8 Ų72.841%0.40835%0.351SS..Hα-helixtrans-62.7-42.3174.9-74.1-176.570.1-162.8-7.9111.7D283 L284 R296 I297 Q298 N303 L304D283-R300 IonicContact OD1-NH2 3.62Å; D283-R300 PolarHBondContact OD1-NH2 2.79Å; D283-R300 IonicContact OD2-CZ 3.76Å; D283-R300 IonicContact OD2-NH1 2.91Å; D283-R300 PolarHBondContact OD2-NH1 3.04Å; D283-R300 IonicContact OD2-NH2 3.41Å; D283-R300 PolarHBondContact OD2-NH2 3.33Å; L284-R300 HydrophobicContact CD1-CB 3.96Å; L284-R300 HydrophobicContact CD2-CB 3.86Å; R296-R300 WeakPolarHBondContact O-CG 3.4Å; R296-R300 PolarHBondContact O-N 3.43Å; I297-R300 PolarHBondContact O-N 2.77Å; Q298-R300 PolarHBondContact O-N 3.02Å; R300-N303 PolarHBondContact O-N 3.24Å; R300-L304 PolarHBondContact O-N 3.05Å
301L76.5Confident76.6Confident0 Ų068.1 Ų68.10%033%0.326CS..Hα-helixtrans-66.2-41176.5-70.6170.3000112.6L284 I288 I297 Q298 N303 L304 I305 F519 L522 L526L284-L301 HydrophobicContact CB-CD2 4Å; L284-L301 HydrophobicContact CD1-CD2 3.86Å; L284-L301 HydrophobicContact CD1-CG 4.33Å; I288-L301 HydrophobicContact CD1-CD1 3.91Å; I288-L301 HydrophobicContact CD1-CD2 3.99Å; I288-L301 HydrophobicContact CG1-CD1 4.23Å; I297-L301 HydrophobicContact CG2-CD1 3.99Å; I297-L301 HydrophobicContact CG2-CG 4.34Å; I297-L301 WeakPolarHBondContact O-CG 3.07Å; I297-L301 PolarHBondContact O-N 3.1Å; Q298-L301 PolarHBondContact O-N 3.15Å; L301-N303 VanDerWaalsContact C-N 3.34Å; L301-N303 PolarHBondContact O-N 3Å; L301-L304 WeakPolarHBondContact O-CB 3.43Å; L301-L304 PolarHBondContact O-N 2.88Å; L301-I305 PolarHBondContact O-N 3.18Å; L301-F519 HydrophobicContact CD1-CD2 3.93Å; L301-F519 HydrophobicContact CD1-CE2 3.82Å; L301-L522 HydrophobicContact CB-CD1 3.98Å; L301-L522 HydrophobicContact CD1-CD1 3.87Å; L301-L526 HydrophobicContact CD2-CD1 3.81Å
302Q76.7Confident78.3Confident78 Ų7860 Ų6036%0.36429%0.288SS..Hα-helixtrans-61.5-43.4174.1-73.91793.100111.4Q298 N299 L304 I305 V306Q298-Q302 WeakPolarHBondContact O-CG 3.16Å; Q298-Q302 PolarHBondContact O-N 2.99Å; N299-Q302 PolarHBondContact O-N 2.9Å; Q302-L304 VanDerWaalsContact C-N 3.33Å; Q302-L304 PolarHBondContact O-N 3.06Å; Q302-I305 PolarHBondContact O-N 3.21Å; Q302-V306 WeakPolarHBondContact O-CG2 3.49Å; Q302-V306 PolarHBondContact O-N 3.44Å
303N85.1Confident80.1Confident103 Ų10354.6 Ų54.655%0.55126%0.263SS*.Hα-helixtrans-63-38.9174.8-74.8-21.7000112.2N299 R300 L301 V306 N307N299-N303 WeakPolarHBondContact O-CB 3.48Å; N299-N303 PolarHBondContact O-N 3.34Å; N299-N303 PolarHBondContact O-ND2 2.8Å; R300-N303 PolarHBondContact O-N 3.24Å; L301-N303 VanDerWaalsContact C-N 3.34Å; L301-N303 PolarHBondContact O-N 3Å; N303-V306 PolarHBondContact O-N 3.05Å; N303-N307 PolarHBondContact O-N 3.41Å; N303-N307 PolarHBondContact O-ND2 3.04Å
304L85.6Confident81.9Confident3 Ų349.3 Ų49.32%0.01623%0.234CC..Hα-helixtrans-60.3-48.7174.2178.560.4000111L277 N281 L284 R300 L301 Q302 V306 N307 L308 L526L277-L304 HydrophobicContact CB-CD1 4.48Å; N281-L304 HydrophobicContact CB-CD1 4.34Å; N281-L304 HydrophobicContact CB-CD2 4.06Å; L284-L304 HydrophobicContact CD1-CD2 4.47Å; R300-L304 PolarHBondContact O-N 3.05Å; L301-L304 WeakPolarHBondContact O-CB 3.43Å; L301-L304 PolarHBondContact O-N 2.88Å; Q302-L304 VanDerWaalsContact C-N 3.33Å; Q302-L304 PolarHBondContact O-N 3.06Å; L304-V306 VanDerWaalsContact C-N 3.31Å; L304-V306 PolarHBondContact O-N 3.47Å; L304-N307 PolarHBondContact O-N 3.34Å; L304-N307 VanDerWaalsContact O-N 3.1Å; L304-L308 HydrophobicContact CD1-CD1 4.17Å; L304-L308 HydrophobicContact CD1-CD2 4.38Å; L304-L308 HydrophobicContact CD1-CG 4.05Å; L304-L308 HydrophobicContact CG-CD1 3.94Å; L304-L308 HydrophobicContact CG-CG 4.27Å; L304-L308 WeakPolarHBondContact O-CG 3.25Å; L304-L308 PolarHBondContact O-N 2.85Å; L304-L526 HydrophobicContact CD2-CD1 4.03Å; L304-L526 HydrophobicContact CD2-CD2 4.04Å; L304-L526 HydrophobicContact CG-CD2 4.41Å
305I85.2Confident83.2Confident4 Ų445.5 Ų45.52%0.02121%0.214CC..Hα-helixtrans-56.7-44.7176.4-76.6175.4000111.6L301 Q302 N307 L308 R309 F450 V482 F517 L522L301-I305 PolarHBondContact O-N 3.18Å; Q302-I305 PolarHBondContact O-N 3.21Å; I305-N307 VanDerWaalsContact C-N 3.31Å; I305-N307 PolarHBondContact O-N 3.37Å; I305-L308 PolarHBondContact O-N 2.94Å; I305-R309 WeakPolarHBondContact O-CG 3.27Å; I305-R309 PolarHBondContact O-N 3.41Å; I305-F450 HydrophobicContact CG2-CE1 4.3Å; I305-F450 HydrophobicContact CG2-CZ 3.87Å; I305-V482 HydrophobicContact CG1-CG1 4.36Å; I305-V482 HydrophobicContact CG2-CG1 4.02Å; I305-F517 HydrophobicContact CD1-CD2 4.34Å; I305-F517 HydrophobicContact CD1-CE2 4.14Å; I305-F517 HydrophobicContact CD1-CZ 4.34Å; I305-L522 HydrophobicContact CD1-CD2 3.13Å; I305-L522 HydrophobicContact CG1-CD2 4.45Å
306V86.5Confident84.4Confident58 Ų5840.2 Ų40.235%0.35219%0.185SC..Hα-helixtrans-61.7-41177.8172.20000111.1Q302 N303 L304 R309 K310Q302-V306 WeakPolarHBondContact O-CG2 3.49Å; Q302-V306 PolarHBondContact O-N 3.44Å; N303-V306 PolarHBondContact O-N 3.05Å; L304-V306 VanDerWaalsContact C-N 3.31Å; L304-V306 PolarHBondContact O-N 3.47Å; V306-R309 PolarHBondContact O-N 3.06Å; V306-K310 WeakPolarHBondContact O-CG 3.1Å; V306-K310 PolarHBondContact O-N 3.38Å
307N90Very high85.4Confident50 Ų5031.5 Ų31.527%0.26715%0.153SC..Hα-helixtrans-69.9-40.2177-70.9-23.9000112.3L277 N303 L304 I305 R309 K310 C311 F318L277-N307 HydrophobicContact CD1-CB 4.44Å; L277-N307 HydrophobicContact CD2-CB 4.4Å; N303-N307 PolarHBondContact O-N 3.41Å; N303-N307 PolarHBondContact O-ND2 3.04Å; L304-N307 PolarHBondContact O-N 3.34Å; L304-N307 VanDerWaalsContact O-N 3.1Å; I305-N307 VanDerWaalsContact C-N 3.31Å; I305-N307 PolarHBondContact O-N 3.37Å; N307-R309 VanDerWaalsContact C-N 3.29Å; N307-R309 PolarHBondContact O-N 3.42Å; N307-K310 WeakPolarHBondContact O-CB 3.43Å; N307-K310 PolarHBondContact O-N 3.37Å; N307-K310 VanDerWaalsContact O-N 3.14Å; N307-K310 PolarHBondContact OD1-NZ 2.92Å; N307-C311 PolarHBondContact O-N 3.43Å; N307-F318 HydrophobicContact CB-CE1 4.26Å; N307-F318 HydrophobicContact CB-CZ 4.28Å; N307-F318 WeakPolarHBondContact O-CZ 3.35Å
308L90.4Very high86.2Confident0 Ų032.6 Ų32.60%016%0.157CC..Hα-helixtrans-60.6-41.1173.8-66.7174.3000110.7Y274 L277 L278 L304 I305 C311 V312 V482 L526Y274-L308 HydrophobicContact CD1-CD2 4.37Å; Y274-L308 HydrophobicContact CD2-CD2 3.81Å; Y274-L308 HydrophobicContact CE1-CD2 4.19Å; Y274-L308 HydrophobicContact CE2-CB 3.88Å; Y274-L308 HydrophobicContact CE2-CD2 3.59Å; Y274-L308 HydrophobicContact CE2-CG 4.21Å; Y274-L308 HydrophobicContact CG-CD2 4.19Å; L277-L308 HydrophobicContact CB-CD2 3.97Å; L277-L308 HydrophobicContact CD1-CD2 4.21Å; L278-L308 HydrophobicContact CD2-CD1 4.03Å; L278-L308 HydrophobicContact CD2-CD2 4.27Å; L278-L308 HydrophobicContact CG-CD2 4.18Å; L304-L308 HydrophobicContact CD1-CD1 4.17Å; L304-L308 HydrophobicContact CD1-CD2 4.38Å; L304-L308 HydrophobicContact CD1-CG 4.05Å; L304-L308 HydrophobicContact CG-CD1 3.94Å; L304-L308 HydrophobicContact CG-CG 4.27Å; L304-L308 WeakPolarHBondContact O-CG 3.25Å; L304-L308 PolarHBondContact O-N 2.85Å; I305-L308 PolarHBondContact O-N 2.94Å; L308-C311 WeakPolarHBondContact O-CB 3.12Å; L308-C311 PolarHBondContact O-N 3.45Å; L308-V312 VanDerWaalsContact O-CG2 3.27Å; L308-V312 WeakPolarHBondContact O-CG2 3.21Å; L308-V312 PolarHBondContact O-N 3.01Å; L308-V482 HydrophobicContact CB-CG2 4.18Å; L308-V482 HydrophobicContact CD1-CG2 3.66Å; L308-L526 HydrophobicContact CD1-CD2 3.45Å; L308-L526 VanDerWaalsContact CD1-CD2 3.45Å
309R91.7Very high86.8Confident13 Ų1336.1 Ų36.15%0.04918%0.177CC..Hα-helixtrans-60.8-43.5172-72.7179.866.1152.54.9112.9I305 V306 N307 C311 V312 N313 M378 D447 S448 I486I305-R309 WeakPolarHBondContact O-CG 3.27Å; I305-R309 PolarHBondContact O-N 3.41Å; V306-R309 PolarHBondContact O-N 3.06Å; N307-R309 VanDerWaalsContact C-N 3.29Å; N307-R309 PolarHBondContact O-N 3.42Å; R309-C311 VanDerWaalsContact C-N 3.31Å; R309-C311 PolarHBondContact O-N 3.07Å; R309-V312 PolarHBondContact O-N 3.25Å; R309-N313 WeakPolarHBondContact O-CB 3.38Å; R309-N313 PolarHBondContact O-N 3.36Å; R309-M378 HydrophobicContact CB-CE 3.88Å; R309-D447 IonicContact NH2-OD2 3.52Å; R309-S448 PolarHBondContact NH2-O 3.41Å; R309-I486 HydrophobicContact CG-CD1 4.03Å
310K92.5Very high87Confident63 Ų6335.4 Ų35.427%0.27419%0.191SC..Hα-helixtrans-58-45175-71.8173.1-173.7169.20111.2V306 N307 V312 N313 H314 L317 F318 M378V306-K310 WeakPolarHBondContact O-CG 3.1Å; V306-K310 PolarHBondContact O-N 3.38Å; N307-K310 WeakPolarHBondContact O-CB 3.43Å; N307-K310 PolarHBondContact O-N 3.37Å; N307-K310 VanDerWaalsContact O-N 3.14Å; N307-K310 PolarHBondContact OD1-NZ 2.92Å; K310-V312 PolarHBondContact O-N 3.21Å; K310-N313 PolarHBondContact O-N 3.02Å; K310-H314 PolarHBondContact O-N 3.13Å; K310-H314 VanDerWaalsContact O-O 3.08Å; K310-L317 HydrophobicContact CB-CB 4.1Å; K310-L317 HydrophobicContact CB-CD1 4.16Å; K310-L317 HydrophobicContact CG-CB 4.42Å; K310-L317 HydrophobicContact CG-CD1 4.37Å; K310-F318 HydrophobicContact CB-CE2 4.19Å; K310-F318 HydrophobicContact CB-CZ 3.97Å; K310-M378 HydrophobicContact CG-CE 3.77Å; K310-M378 HydrophobicContact CG-SD 3.7Å
311C91.6Very high87.3Confident0 Ų032.4 Ų32.40%018%0.184CC..Hα-helixtrans-59.6-45.3178.2-1710000112.5Q270 I273 Y274 L277 N307 L308 R309 N313 F318Q270-C311 PolarHBondContact NE2-O 3.27Å; Q270-C311 PolarHBondContact O-SG 3.05Å; Q270-C311 VanDerWaalsContact O-SG 3.37Å; I273-C311 HydrophobicContact CG2-CB 4.44Å; Y274-C311 HydrophobicContact CD2-CB 4.29Å; L277-C311 HydrophobicContact CD1-CB 4.09Å; N307-C311 PolarHBondContact O-N 3.43Å; L308-C311 WeakPolarHBondContact O-CB 3.12Å; L308-C311 PolarHBondContact O-N 3.45Å; R309-C311 VanDerWaalsContact C-N 3.31Å; R309-C311 PolarHBondContact O-N 3.07Å; C311-N313 VanDerWaalsContact C-N 3.35Å; C311-F318 HydrophobicContact CB-CE2 3.75Å; C311-F318 HydrophobicContact CB-CZ 4.23Å
312V91.5Very high87.6Confident0 Ų033.6 Ų33.60%019%0.19CC..Hα-helixtrans-67.4-36179.1176.40000111.6L266 Q270 Y274 L308 R309 K310 C478 T481 E483L266-V312 HydrophobicContact CD2-CG2 4.16Å; Q270-V312 PolarHBondContact NE2-O 2.9Å; Q270-V312 VanDerWaalsContact NE2-O 3.07Å; Y274-V312 HydrophobicContact CD2-CG2 4.2Å; Y274-V312 HydrophobicContact CE2-CG2 3.81Å; L308-V312 VanDerWaalsContact O-CG2 3.27Å; L308-V312 WeakPolarHBondContact O-CG2 3.21Å; L308-V312 PolarHBondContact O-N 3.01Å; R309-V312 PolarHBondContact O-N 3.25Å; K310-V312 PolarHBondContact O-N 3.21Å; V312-C478 HydrophobicContact CG1-CB 3.33Å; V312-T481 HydrophobicContact CG2-CG2 4.08Å; V312-E483 HydrophobicContact CB-CG 4.38Å; V312-E483 HydrophobicContact CG1-CG 3.83Å; V312-E483 VanDerWaalsContact CG1-OE2 3.26Å; V312-E483 WeakPolarHBondContact CG1-OE2 3.29Å
313N93.5Very high87.6Confident0 Ų033.2 Ų33.20%019%0.194CC..Hα-helixtrans-67-63.9174.7-80.2-10.8000112.4R309 K310 C311 L317 S336 K338 M381 D447R309-N313 WeakPolarHBondContact O-CB 3.38Å; R309-N313 PolarHBondContact O-N 3.36Å; K310-N313 PolarHBondContact O-N 3.02Å; C311-N313 VanDerWaalsContact C-N 3.35Å; N313-L317 HydrophobicContact CB-CD1 3.83Å; N313-S336 PolarHBondContact O-OG 3.24Å; N313-K338 PolarHBondContact OD1-NZ 3.35Å; N313-M381 HydrophobicContact CB-SD 4Å; N313-D447 PolarHBondContact ND2-OD2 2.94Å
314H93.4Very high87.1Confident0 Ų031.9 Ų31.90%018%0.184CC..  trans-160.5132.9179.5-161.4-79.1000112.1K310 Y316 L317 L332 S336 M381 I384K310-H314 PolarHBondContact O-N 3.13Å; K310-H314 VanDerWaalsContact O-O 3.08Å; H314-Y316 VanDerWaalsContact C-N 3.31Å; H314-Y316 AromaticContact CE1-CD2 3.3Å; H314-Y316 WeakPolarHBondContact CE1-CD2 3.27Å; H314-Y316 AromaticContact CE1-CE2 3.78Å; H314-Y316 AromaticContact CE1-CG 3.41Å; H314-Y316 VanDerWaalsContact CE1-CG 3.41Å; H314-Y316 WeakPolarHBondContact ND1-CB 3.33Å; H314-Y316 AromaticContact ND1-CD2 3.91Å; H314-Y316 AromaticContact ND1-CG 3.61Å; H314-Y316 PolarHBondContact ND1-N 3.24Å; H314-Y316 PolarHBondContact O-N 3.06Å; H314-L317 HydrophobicContact CB-CD1 4.31Å; H314-L317 HydrophobicContact CB-CG 4.2Å; H314-L317 WeakPolarHBondContact O-CB 3.48Å; H314-L317 WeakPolarHBondContact O-CG 3.19Å; H314-L317 PolarHBondContact O-N 2.91Å; H314-L317 VanDerWaalsContact O-N 3.12Å; H314-L332 PolarHBondContact NE2-O 3.44Å; H314-S336 WeakPolarHBondContact CD2-CB 3.24Å; H314-M381 HydrophobicContact CB-CE 4.24Å; H314-M381 HydrophobicContact CB-SD 3.74Å; H314-I384 HydrophobicContact CB-CD1 3.88Å
315P91.2Very high86.6Confident0 Ų033.8 Ų33.80%020%0.197CC..G310 helixtrans-54.8-39.4177.4-28.135.5000114.7L269 Q270 I273 L317 F318 V321 A335L269-P315 HydrophobicContact CD2-CB 3.93Å; L269-P315 HydrophobicContact CD2-CG 4.06Å; L269-P315 HydrophobicContact CG-CB 4.33Å; L269-P315 HydrophobicContact CG-CG 4.33Å; Q270-P315 HydrophobicContact CG-CG 3.58Å; I273-P315 HydrophobicContact CD1-CB 3.94Å; P315-L317 PolarHBondContact O-N 3.3Å; P315-F318 PolarHBondContact O-N 3.32Å; P315-V321 HydrophobicContact CB-CG1 3.78Å; P315-A335 HydrophobicContact CG-CB 4.34Å; P315-A335 WeakPolarHBondContact CG-O 3.26Å
316Y91.7Very high86.3Confident19 Ų1934.4 Ų34.48%0.07520%0.2CC..G310 helixtrans-70.10.3-179.3-53.6-15.7000114.6H314 F318 V321 E322 H331 L332 A335H314-Y316 VanDerWaalsContact C-N 3.31Å; H314-Y316 AromaticContact CE1-CD2 3.3Å; H314-Y316 WeakPolarHBondContact CE1-CD2 3.27Å; H314-Y316 AromaticContact CE1-CE2 3.78Å; H314-Y316 AromaticContact CE1-CG 3.41Å; H314-Y316 VanDerWaalsContact CE1-CG 3.41Å; H314-Y316 WeakPolarHBondContact ND1-CB 3.33Å; H314-Y316 AromaticContact ND1-CD2 3.91Å; H314-Y316 AromaticContact ND1-CG 3.61Å; H314-Y316 PolarHBondContact ND1-N 3.24Å; H314-Y316 PolarHBondContact O-N 3.06Å; Y316-F318 PolarHBondContact O-N 2.9Å; Y316-V321 HydrophobicContact CD1-CG1 4.24Å; Y316-E322 VanDerWaalsContact CD1-CA 3.48Å; Y316-E322 HydrophobicContact CD1-CB 3.55Å; Y316-E322 HydrophobicContact CD1-CG 3.98Å; Y316-E322 HydrophobicContact CD2-CB 3.99Å; Y316-E322 HydrophobicContact CD2-CG 3.54Å; Y316-E322 HydrophobicContact CE1-CB 3.96Å; Y316-E322 HydrophobicContact CE1-CG 4.1Å; Y316-E322 HydrophobicContact CE2-CB 4.37Å; Y316-E322 HydrophobicContact CE2-CG 3.7Å; Y316-E322 HydrophobicContact CG-CB 3.61Å; Y316-E322 HydrophobicContact CG-CG 3.74Å; Y316-H331 AromaticContact CE2-CD2 3.92Å; Y316-H331 AromaticContact CZ-CD2 3.98Å; Y316-H331 PolarHBondContact OH-CD2 3.42Å; Y316-H331 PolarHBondContact OH-O 2.98Å; Y316-H331 VanDerWaalsContact OH-O 3.05Å; Y316-L332 HydrophobicContact CD2-CD1 3.7Å; Y316-L332 HydrophobicContact CE2-CD1 3.84Å; Y316-A335 HydrophobicContact CE1-CB 4.01Å; Y316-A335 HydrophobicContact CE2-CB 4.4Å
317L90.3Very high85.9Confident7 Ų734.3 Ų34.34%0.03720%0.199CC..G310 helixtrans-70.4-14.7164.3-66.8174.2000112.3K310 N313 H314 P315 M378 R380 M381 I384K310-L317 HydrophobicContact CB-CB 4.1Å; K310-L317 HydrophobicContact CB-CD1 4.16Å; K310-L317 HydrophobicContact CG-CB 4.42Å; K310-L317 HydrophobicContact CG-CD1 4.37Å; N313-L317 HydrophobicContact CB-CD1 3.83Å; H314-L317 HydrophobicContact CB-CD1 4.31Å; H314-L317 HydrophobicContact CB-CG 4.2Å; H314-L317 WeakPolarHBondContact O-CB 3.48Å; H314-L317 WeakPolarHBondContact O-CG 3.19Å; H314-L317 PolarHBondContact O-N 2.91Å; H314-L317 VanDerWaalsContact O-N 3.12Å; P315-L317 PolarHBondContact O-N 3.3Å; L317-M378 HydrophobicContact CD1-SD 4.13Å; L317-R380 HydrophobicContact CD2-CB 3.57Å; L317-M381 HydrophobicContact CD1-SD 4.33Å; L317-I384 HydrophobicContact CD2-CD1 3.67Å; L317-I384 HydrophobicContact CG-CD1 3.9Å
318F87.4Confident85.6Confident39 Ų3935.9 Ų35.917%0.17121%0.207CC..SBendtrans-96.5128.1169.4-63.3-75.4000110.7I273 L277 N307 K310 C311 P315 Y316 G320 V321I273-F318 HydrophobicContact CG2-CD2 4.08Å; I273-F318 HydrophobicContact CG2-CE2 3.88Å; L277-F318 HydrophobicContact CD1-CE1 4.4Å; L277-F318 HydrophobicContact CD1-CE2 4.25Å; L277-F318 HydrophobicContact CD1-CZ 3.67Å; L277-F318 HydrophobicContact CD2-CE1 4.44Å; L277-F318 HydrophobicContact CD2-CZ 4.49Å; N307-F318 HydrophobicContact CB-CE1 4.26Å; N307-F318 HydrophobicContact CB-CZ 4.28Å; N307-F318 WeakPolarHBondContact O-CZ 3.35Å; K310-F318 HydrophobicContact CB-CE2 4.19Å; K310-F318 HydrophobicContact CB-CZ 3.97Å; C311-F318 HydrophobicContact CB-CE2 3.75Å; C311-F318 HydrophobicContact CB-CZ 4.23Å; P315-F318 PolarHBondContact O-N 3.32Å; Y316-F318 PolarHBondContact O-N 2.9Å; F318-G320 PolarHBondContact O-N 3.2Å; F318-V321 HydrophobicContact CB-CG2 3.71Å; F318-V321 PolarHBondContact O-N 3.42Å
319D81.5Confident85.2Confident127 Ų12736.7 Ų36.768%0.67922%0.215SC*.THydrogen-bonded Turntrans-68133.4-179-50.2-36.6000109.8R380D319-R380 IonicContact OD1-CZ 2.92Å; D319-R380 IonicContact OD1-NH1 2.8Å; D319-R380 PolarHBondContact OD1-NH1 3.2Å; D319-R380 IonicContact OD1-NH2 3.79Å; D319-R380 PolarHBondContact OD1-NH2 3.5Å
320G77.9Confident85Confident72 Ų7240.2 Ų40.274%0.74223%0.232SC*.THydrogen-bonded Turntrans87.7-0.6-178.900000116.1F318F318-G320 PolarHBondContact O-N 3.2Å
321V82.5Confident84.7Confident45 Ų4539.3 Ų39.327%0.27323%0.229SC..THydrogen-bonded Turntrans-85.9-32.9173.31770000112L269 I273 P315 Y316 F318L269-V321 HydrophobicContact CD2-CG1 4.23Å; I273-V321 HydrophobicContact CD1-CG1 3.75Å; I273-V321 HydrophobicContact CD1-CG2 4.12Å; P315-V321 HydrophobicContact CB-CG1 3.78Å; Y316-V321 HydrophobicContact CD1-CG1 4.24Å; F318-V321 HydrophobicContact CB-CG2 3.71Å; F318-V321 PolarHBondContact O-N 3.42Å
322E83.7Confident84.5Confident25 Ų2539.7 Ų39.712%0.11723%0.231CC..SBendtrans-69.8130.8177.2-169.8177.8168.900110.4Y316 E324 F326 Y960Y316-E322 VanDerWaalsContact CD1-CA 3.48Å; Y316-E322 HydrophobicContact CD1-CB 3.55Å; Y316-E322 HydrophobicContact CD1-CG 3.98Å; Y316-E322 HydrophobicContact CD2-CB 3.99Å; Y316-E322 HydrophobicContact CD2-CG 3.54Å; Y316-E322 HydrophobicContact CE1-CB 3.96Å; Y316-E322 HydrophobicContact CE1-CG 4.1Å; Y316-E322 HydrophobicContact CE2-CB 4.37Å; Y316-E322 HydrophobicContact CE2-CG 3.7Å; Y316-E322 HydrophobicContact CG-CB 3.61Å; Y316-E322 HydrophobicContact CG-CG 3.74Å; E322-E324 PolarHBondContact O-N 2.97Å; E322-F326 HydrophobicContact CB-CD1 4.02Å; E322-F326 HydrophobicContact CB-CE1 3.83Å; E322-F326 HydrophobicContact CG-CD1 3.6Å; E322-F326 HydrophobicContact CG-CE1 3.97Å; E322-Y960 WeakPolarHBondContact OE2-CE2 3.33Å
323P76.6Confident84.3Confident69 Ų6939.8 Ų39.845%0.44823%0.232SC..PPolyproline II helixtrans-65.4124.9-179.126.1-32.9000110.4P325P323-P325 CarbonylContact O-C 3.55Å
324E75.1Confident84Confident75 Ų7546.2 Ų46.235%0.3526%0.262SS..SBendtrans-78.8131.7168.7-67.2-177.9177.200108.4E322 F326 Y772 R949E322-E324 PolarHBondContact O-N 2.97Å; E324-F326 HydrophobicContact CG-CD1 4.47Å; E324-F326 HydrophobicContact CG-CE1 3.74Å; E324-F326 HydrophobicContact CG-CE2 4.12Å; E324-F326 HydrophobicContact CG-CZ 3.53Å; E324-Y772 HydrophobicContact CB-CD2 4.35Å; E324-Y772 HydrophobicContact CB-CE2 3.69Å; E324-Y772 WeakPolarHBondContact OE2-CE1 3.25Å; E324-R949 IonicContact OE1-NH2 3.84Å; E324-R949 PolarHBondContact OE1-NH2 3.3Å
325P74.3Confident83.6Confident43 Ų4346.7 Ų46.728%0.27927%0.265SS..SBendcis-84.8142.38.135.5-36.6000114.3P323 T327 I770 Y772 E963 R967P323-P325 CarbonylContact O-C 3.55Å; P325-T327 HydrophobicContact CG-CG2 4.45Å; P325-T327 PolarHBondContact O-N 2.8Å; P325-T327 PolarHBondContact O-OG1 3.08Å; P325-I770 HydrophobicContact CB-CB 4.37Å; P325-Y772 HydrophobicContact CB-CE2 4.21Å; P325-E963 VanDerWaalsContact C-OE1 3.25Å; P325-E963 WeakPolarHBondContact CA-OE1 3.4Å; P325-E963 WeakPolarHBondContact CB-OE1 3.3Å; P325-R967 VanDerWaalsContact CB-NH2 3.31Å
326F79.1Confident83.6Confident18 Ų1846.7 Ų46.78%0.07927%0.265CS..  trans-65.6101.2179.3-52-53.3000110E322 E324 W959 Y960 E963 R967E322-F326 HydrophobicContact CB-CD1 4.02Å; E322-F326 HydrophobicContact CB-CE1 3.83Å; E322-F326 HydrophobicContact CG-CD1 3.6Å; E322-F326 HydrophobicContact CG-CE1 3.97Å; E324-F326 HydrophobicContact CG-CD1 4.47Å; E324-F326 HydrophobicContact CG-CE1 3.74Å; E324-F326 HydrophobicContact CG-CE2 4.12Å; E324-F326 HydrophobicContact CG-CZ 3.53Å; F326-W959 AromaticContact CE2-CD1 3.9Å; F326-Y960 HydrophobicContact CB-CD2 3.92Å; F326-Y960 HydrophobicContact CB-CE2 3.64Å; F326-Y960 AromaticContact CD1-CD2 3.75Å; F326-Y960 HydrophobicContact CD1-CD2 3.75Å; F326-Y960 AromaticContact CD1-CE2 3.93Å; F326-Y960 HydrophobicContact CD1-CE2 3.93Å; F326-Y960 AromaticContact CD2-CD2 3.29Å; F326-Y960 HydrophobicContact CD2-CD2 3.29Å; F326-Y960 AromaticContact CD2-CE2 3.95Å; F326-Y960 HydrophobicContact CD2-CE2 3.95Å; F326-Y960 HydrophobicContact CD2-CG 4.06Å; F326-Y960 HydrophobicContact CE1-CD2 4.08Å; F326-Y960 AromaticContact CE2-CD2 3.68Å; F326-Y960 HydrophobicContact CE2-CD2 3.68Å; F326-Y960 HydrophobicContact CE2-CG 4.28Å; F326-Y960 AromaticContact CG-CD2 3.35Å; F326-Y960 HydrophobicContact CG-CD2 3.35Å; F326-Y960 AromaticContact CG-CE2 3.55Å; F326-Y960 HydrophobicContact CG-CE2 3.55Å; F326-Y960 HydrophobicContact CG-CG 4.47Å; F326-Y960 HydrophobicContact CZ-CD2 4.05Å; F326-E963 HydrophobicContact CD2-CB 4.02Å; F326-E963 VanDerWaalsContact CD2-CD 3.49Å; F326-E963 HydrophobicContact CD2-CG 4.32Å; F326-E963 WeakPolarHBondContact CD2-OE2 3.12Å; F326-E963 HydrophobicContact CE2-CB 4.48Å; F326-E963 WeakPolarHBondContact CE2-OE2 3.22Å; F326-E963 PolarHBondContact N-OE1 3.35Å; F326-R967 PolarHBondContact O-NE 3.01Å
327T79.1Confident83.4Confident55 Ų5545.8 Ų45.834%0.33726%0.262SS..  trans-117.4151-179.346.10000109P325 H331 R967P325-T327 HydrophobicContact CG-CG2 4.45Å; P325-T327 PolarHBondContact O-N 2.8Å; P325-T327 PolarHBondContact O-OG1 3.08Å; T327-H331 PolarHBondContact O-CE1 3.25Å; T327-H331 PolarHBondContact O-NE2 2.91Å; T327-R967 VanDerWaalsContact CG2-CZ 3.42Å; T327-R967 VanDerWaalsContact CG2-NH2 3.3Å
328L82.1Confident83.4Confident84 Ų8445.6 Ų45.644%0.4426%0.261SS..  trans-78.1123.1167.5-66.9171.4000107.5D387 L391L328-D387 HydrophobicContact CD2-CB 3.71Å; L328-L391 HydrophobicContact CB-CD1 4.27Å
329G82.8Confident83.6Confident16 Ų1643.8 Ų43.817%0.16525%0.253CS..SBendtrans-17117917900000113.4H331 L332G329-H331 PolarHBondContact O-N 3.07Å; G329-H331 VanDerWaalsContact O-N 3.12Å; G329-L332 VanDerWaalsContact O-CB 3.31Å; G329-L332 WeakPolarHBondContact O-CB 3.41Å; G329-L332 PolarHBondContact O-N 3.22Å
330E86.2Confident84Confident88 Ų8841.6 Ų41.641%0.41124%0.237SC..Hα-helixtrans-61.2-22.3-176.5-66.9-65.3157.100113.8L332 V333 Q334 R392E330-L332 PolarHBondContact O-N 2.87Å; E330-V333 PolarHBondContact O-N 3.28Å; E330-V333 VanDerWaalsContact O-N 3.07Å; E330-Q334 WeakPolarHBondContact O-CG 3.46Å; E330-Q334 PolarHBondContact O-N 2.97Å; E330-R392 IonicContact OE1-CZ 3.94Å; E330-R392 IonicContact OE1-NH1 3.65Å; E330-R392 PolarHBondContact OE1-NH1 3.3Å; E330-R392 IonicContact OE1-NH2 2.81Å; E330-R392 PolarHBondContact OE1-NH2 2.8Å; E330-R392 IonicContact OE2-CZ 3.75Å; E330-R392 IonicContact OE2-NH1 2.69Å; E330-R392 IonicContact OE2-NH2 3.78Å; E330-R392 PolarHBondContact OE2-NH2 2.96Å
331H87.1Confident84.4Confident43 Ų4338.5 Ų38.520%0.19920%0.204CC..Hα-helixtrans-59.5-24.5174.166.4-75.6000112.7Y316 T327 G329 A335Y316-H331 AromaticContact CE2-CD2 3.92Å; Y316-H331 AromaticContact CZ-CD2 3.98Å; Y316-H331 PolarHBondContact OH-CD2 3.42Å; Y316-H331 PolarHBondContact OH-O 2.98Å; Y316-H331 VanDerWaalsContact OH-O 3.05Å; T327-H331 PolarHBondContact O-CE1 3.25Å; T327-H331 PolarHBondContact O-NE2 2.91Å; G329-H331 PolarHBondContact O-N 3.07Å; G329-H331 VanDerWaalsContact O-N 3.12Å; H331-A335 WeakPolarHBondContact O-CB 3.35Å; H331-A335 PolarHBondContact O-N 3.14Å; H331-A335 VanDerWaalsContact O-N 3.15Å
332L87.7Confident84.8Confident9 Ų936.5 Ų36.55%0.04719%0.191CC..Hα-helixtrans-63.3-50.8172.7-168.366.1000110.1H314 Y316 G329 E330 L339 I384 D387H314-L332 PolarHBondContact NE2-O 3.44Å; Y316-L332 HydrophobicContact CD2-CD1 3.7Å; Y316-L332 HydrophobicContact CE2-CD1 3.84Å; G329-L332 VanDerWaalsContact O-CB 3.31Å; G329-L332 WeakPolarHBondContact O-CB 3.41Å; G329-L332 PolarHBondContact O-N 3.22Å; E330-L332 PolarHBondContact O-N 2.87Å; L332-L339 HydrophobicContact CD2-CD2 4.36Å; L332-L339 HydrophobicContact CG-CD2 3.8Å; L332-L339 WeakPolarHBondContact O-CD2 3.46Å; L332-I384 HydrophobicContact CD1-CG2 4Å; L332-I384 HydrophobicContact CG-CG2 4.46Å; L332-D387 HydrophobicContact CD2-CB 4.13Å
333V87.6Confident85.1Confident2 Ų235.6 Ų35.61%0.01219%0.188CC..Hα-helixtrans-70.4-42.4-178.5-1740000111.4E330 A335 L339 F340 D343 Y388E330-V333 PolarHBondContact O-N 3.28Å; E330-V333 VanDerWaalsContact O-N 3.07Å; V333-A335 VanDerWaalsContact C-N 3.32Å; V333-A335 PolarHBondContact O-N 3.31Å; V333-L339 HydrophobicContact CG2-CD2 4.49Å; V333-F340 HydrophobicContact CG1-CB 4.16Å; V333-F340 HydrophobicContact CG1-CD2 4.06Å; V333-D343 HydrophobicContact CG1-CB 3.93Å; V333-Y388 HydrophobicContact CG2-CD2 3.67Å; V333-Y388 HydrophobicContact CG2-CE2 3.97Å
334Q85.7Confident85.5Confident135 Ų13533.9 Ų33.963%0.63117%0.174SC*.Hα-helixtrans-70.7-25.4-177.3-67.91740.800113.5E330E330-Q334 WeakPolarHBondContact O-CG 3.46Å; E330-Q334 PolarHBondContact O-N 2.97Å
335A87Confident86.1Confident9 Ų930.3 Ų30.37%0.07416%0.158CC..Hα-helixtrans-69.6-33.9-179.500000112.8T267 L269 P315 Y316 H331 V333T267-A335 PolarHBondContact OG1-O 3.28Å; L269-A335 HydrophobicContact CD2-CB 4.38Å; P315-A335 HydrophobicContact CG-CB 4.34Å; P315-A335 WeakPolarHBondContact CG-O 3.26Å; Y316-A335 HydrophobicContact CE1-CB 4.01Å; Y316-A335 HydrophobicContact CE2-CB 4.4Å; H331-A335 WeakPolarHBondContact O-CB 3.35Å; H331-A335 PolarHBondContact O-N 3.14Å; H331-A335 VanDerWaalsContact O-N 3.15Å; V333-A335 VanDerWaalsContact C-N 3.32Å; V333-A335 PolarHBondContact O-N 3.31Å
336S89.7Confident86.8Confident0 Ų028.3 Ų28.30%014%0.144CC..  trans-118.3126.4-177.6-179.80000112.6N313 H314 K338 L339 F340N313-S336 PolarHBondContact O-OG 3.24Å; H314-S336 WeakPolarHBondContact CD2-CB 3.24Å; S336-K338 VanDerWaalsContact C-N 3.26Å; S336-K338 PolarHBondContact O-N 2.77Å; S336-K338 PolarHBondContact OG-N 3.04Å; S336-L339 PolarHBondContact O-N 3.33Å; S336-F340 PolarHBondContact O-N 2.95Å
337S87.1Confident87.1Confident1 Ų130.2 Ų30.21%0.00715%0.154CC..Hα-helixtrans-57.2-39.4173.450.10000112.6H264 S265 T267 Q270 L341H264-S337 PolarHBondContact CE1-OG 3.5Å; H264-S337 PolarHBondContact ND1-OG 3.47Å; S265-S337 WeakPolarHBondContact O-CB 3.19Å; S265-S337 PolarHBondContact O-OG 3.06Å; T267-S337 VanDerWaalsContact CG2-N 3.29Å; Q270-S337 PolarHBondContact OE1-OG 3.06Å; S337-L341 WeakPolarHBondContact O-CB 3.38Å; S337-L341 PolarHBondContact O-N 2.8Å
338K91.2Very high87.2Confident2 Ų228.9 Ų28.91%0.00914%0.143CC..Hα-helixtrans-64.4-44176.7-74.4-164.6-173.4-175.20112.3H264 N313 S336 F340 L341 L342 V446 E483H264-K338 WeakPolarHBondContact CE1-CG 3.49Å; H264-K338 WeakPolarHBondContact NE2-CE 3.43Å; H264-K338 WeakPolarHBondContact NE2-CG 3.27Å; N313-K338 PolarHBondContact OD1-NZ 3.35Å; S336-K338 VanDerWaalsContact C-N 3.26Å; S336-K338 PolarHBondContact O-N 2.77Å; S336-K338 PolarHBondContact OG-N 3.04Å; K338-F340 VanDerWaalsContact C-N 3.35Å; K338-L341 PolarHBondContact O-N 3.12Å; K338-L342 VanDerWaalsContact O-CB 3.25Å; K338-L342 WeakPolarHBondContact O-CB 3.45Å; K338-L342 PolarHBondContact O-N 2.91Å; K338-V446 HydrophobicContact CD-CG1 4.36Å; K338-V446 PolarHBondContact NZ-O 3.43Å; K338-E483 VanDerWaalsContact CE-OE2 3.23Å; K338-E483 WeakPolarHBondContact CE-OE2 3.15Å; K338-E483 IonicContact NZ-OE1 2.8Å; K338-E483 PolarHBondContact NZ-OE1 2.84Å; K338-E483 IonicContact NZ-OE2 3.57Å; K338-E483 PolarHBondContact NZ-OE2 3.29Å
339L91.4Very high87.3Confident1 Ų124.9 Ų24.91%0.00512%0.122CC..Hα-helixtrans-71.3-36.6-177.8-166.262.5000110.7L332 V333 S336 L342 D343 I384 I385 Y388L332-L339 HydrophobicContact CD2-CD2 4.36Å; L332-L339 HydrophobicContact CG-CD2 3.8Å; L332-L339 WeakPolarHBondContact O-CD2 3.46Å; V333-L339 HydrophobicContact CG2-CD2 4.49Å; S336-L339 PolarHBondContact O-N 3.33Å; L339-L342 HydrophobicContact CD1-CD2 4.09Å; L339-L342 PolarHBondContact O-N 3.31Å; L339-D343 WeakPolarHBondContact O-CB 3.48Å; L339-D343 PolarHBondContact O-N 3.24Å; L339-I384 HydrophobicContact CD2-CG2 4.26Å; L339-I385 HydrophobicContact CD1-CG1 4.45Å; L339-Y388 HydrophobicContact CD1-CD1 4.03Å; L339-Y388 HydrophobicContact CD1-CD2 4.25Å; L339-Y388 HydrophobicContact CD1-CG 3.79Å; L339-Y388 HydrophobicContact CD2-CG 4.46Å; L339-Y388 HydrophobicContact CG-CD2 4.33Å; L339-Y388 HydrophobicContact CG-CG 4.31Å
340F89Confident87.4Confident82 Ų8226.8 Ų26.836%0.3613%0.125SC..Hα-helixtrans-60-47.4170.3-175.5-97.6000112.6V333 S336 K338 L342 D343 L344V333-F340 HydrophobicContact CG1-CB 4.16Å; V333-F340 HydrophobicContact CG1-CD2 4.06Å; S336-F340 PolarHBondContact O-N 2.95Å; K338-F340 VanDerWaalsContact C-N 3.35Å; F340-L342 VanDerWaalsContact C-N 3.35Å; F340-L342 PolarHBondContact O-N 2.65Å; F340-D343 WeakPolarHBondContact O-CB 3.32Å; F340-D343 PolarHBondContact O-N 2.79Å; F340-L344 HydrophobicContact CD1-CD1 4.13Å; F340-L344 HydrophobicContact CE1-CD1 3.58Å; F340-L344 HydrophobicContact CE1-CG 4.34Å; F340-L344 HydrophobicContact CZ-CD1 4.06Å; F340-L344 PolarHBondContact O-N 3.16Å; F340-L344 VanDerWaalsContact O-N 3.13Å
341L87.8Confident86.9Confident6 Ų624.3 Ų24.33%0.03112%0.115CC..Hα-helixtrans-63.6-41.2175.7177.760.7000112I262 H264 S337 K338 D343 L344 L345 L476 L553 F555 V592I262-L341 HydrophobicContact CB-CD2 4.46Å; I262-L341 HydrophobicContact CG2-CD1 4.32Å; I262-L341 HydrophobicContact CG2-CD2 3.62Å; H264-L341 HydrophobicContact CB-CD2 4.05Å; S337-L341 WeakPolarHBondContact O-CB 3.38Å; S337-L341 PolarHBondContact O-N 2.8Å; K338-L341 PolarHBondContact O-N 3.12Å; L341-D343 VanDerWaalsContact C-N 3.28Å; L341-D343 PolarHBondContact O-N 3.14Å; L341-L344 PolarHBondContact O-N 3.19Å; L341-L345 VanDerWaalsContact O-CB 3.27Å; L341-L345 WeakPolarHBondContact O-CB 3.36Å; L341-L345 PolarHBondContact O-N 3.37Å; L341-L476 HydrophobicContact CD2-CD2 3.79Å; L341-L476 HydrophobicContact CG-CD2 4.36Å; L341-L553 HydrophobicContact CD1-CD1 4.24Å; L341-F555 HydrophobicContact CD1-CE1 4.38Å; L341-F555 HydrophobicContact CD1-CZ 4.27Å; L341-V592 HydrophobicContact CD1-CG2 4.06Å
342L91.3Very high85.8Confident3 Ų323 Ų232%0.01611%0.11CC..Hα-helixtrans-62-37.9175.3-172.668.2000111.2K338 L339 F340 L345 L346 I374 I385 I444K338-L342 VanDerWaalsContact O-CB 3.25Å; K338-L342 WeakPolarHBondContact O-CB 3.45Å; K338-L342 PolarHBondContact O-N 2.91Å; L339-L342 HydrophobicContact CD1-CD2 4.09Å; L339-L342 PolarHBondContact O-N 3.31Å; F340-L342 VanDerWaalsContact C-N 3.35Å; F340-L342 PolarHBondContact O-N 2.65Å; L342-L345 PolarHBondContact O-N 2.92Å; L342-L346 HydrophobicContact CD1-CD1 4.14Å; L342-L346 HydrophobicContact CD1-CG 4.17Å; L342-L346 HydrophobicContact CD2-CD1 4.3Å; L342-L346 HydrophobicContact CG-CD1 3.79Å; L342-L346 HydrophobicContact CG-CG 4.2Å; L342-L346 WeakPolarHBondContact O-CB 3.47Å; L342-L346 VanDerWaalsContact O-CG 3.29Å; L342-L346 WeakPolarHBondContact O-CG 3.33Å; L342-L346 PolarHBondContact O-N 3.33Å; L342-I374 HydrophobicContact CD1-CD1 4.33Å; L342-I374 HydrophobicContact CD2-CD1 4.41Å; L342-I385 HydrophobicContact CD2-CD1 4.46Å; L342-I385 HydrophobicContact CD2-CG1 4.39Å; L342-I385 HydrophobicContact CD2-CG2 4.3Å; L342-I444 HydrophobicContact CD1-CD1 3.92Å; L342-I444 HydrophobicContact CD1-CG2 4.17Å
343D89.9Confident84.4Confident7 Ų726.4 Ų26.44%0.03713%0.128CC..Hα-helixtrans-63.8-47.4177.8-173.139.5000112.2V333 L339 F340 L341 L345 Q347 Y388 R392V333-D343 HydrophobicContact CG1-CB 3.93Å; L339-D343 WeakPolarHBondContact O-CB 3.48Å; L339-D343 PolarHBondContact O-N 3.24Å; F340-D343 WeakPolarHBondContact O-CB 3.32Å; F340-D343 PolarHBondContact O-N 2.79Å; L341-D343 VanDerWaalsContact C-N 3.28Å; L341-D343 PolarHBondContact O-N 3.14Å; D343-L345 VanDerWaalsContact C-N 3.33Å; D343-L345 PolarHBondContact O-N 3.27Å; D343-Q347 WeakPolarHBondContact O-CB 3.38Å; D343-Q347 WeakPolarHBondContact O-CG 3.49Å; D343-Q347 PolarHBondContact O-N 2.97Å; D343-Q347 PolarHBondContact OD1-NE2 3.36Å; D343-Q347 PolarHBondContact OD2-NE2 3.23Å; D343-Y388 VanDerWaalsContact CA-OH 3.25Å; D343-Y388 WeakPolarHBondContact CA-OH 3.12Å; D343-Y388 HydrophobicContact CB-CE2 3.77Å; D343-Y388 VanDerWaalsContact OD1-CE2 3.27Å; D343-Y388 WeakPolarHBondContact OD1-CE2 3.44Å; D343-Y388 PolarHBondContact OD1-OH 2.79Å; D343-R392 IonicContact OD1-CZ 3.12Å; D343-R392 IonicContact OD1-NE 3.94Å; D343-R392 PolarHBondContact OD1-NE 2.88Å; D343-R392 IonicContact OD1-NH2 2.73Å; D343-R392 IonicContact OD2-CZ 3.27Å; D343-R392 IonicContact OD2-NE 2.74Å; D343-R392 PolarHBondContact OD2-NE 3.4Å; D343-R392 IonicContact OD2-NH2 3.5Å; D343-R392 PolarHBondContact OD2-NH2 3.41Å
344L84.9Confident82.9Confident32 Ų3230.8 Ų30.817%0.16815%0.151CC..Hα-helixtrans-62.6-41.3175.2-66.6179.3000112.2F340 L341 F348 L553 F555F340-L344 HydrophobicContact CD1-CD1 4.13Å; F340-L344 HydrophobicContact CE1-CD1 3.58Å; F340-L344 HydrophobicContact CE1-CG 4.34Å; F340-L344 HydrophobicContact CZ-CD1 4.06Å; F340-L344 PolarHBondContact O-N 3.16Å; F340-L344 VanDerWaalsContact O-N 3.13Å; L341-L344 PolarHBondContact O-N 3.19Å; L344-F348 PolarHBondContact O-N 3.29Å; L344-F348 VanDerWaalsContact O-N 3.17Å; L344-L553 HydrophobicContact CD1-CD1 3.87Å; L344-F555 HydrophobicContact CB-CE2 3.72Å; L344-F555 HydrophobicContact CB-CZ 3.76Å
345L86.9Confident81.2Confident1 Ų130 Ų301%0.00516%0.161CC..Hα-helixtrans-70-42-179-176.9145.7000112I262 L341 L342 D343 F348 L349 I444 V474 F555 L559I262-L345 HydrophobicContact CD1-CD1 3.89Å; L341-L345 VanDerWaalsContact O-CB 3.27Å; L341-L345 WeakPolarHBondContact O-CB 3.36Å; L341-L345 PolarHBondContact O-N 3.37Å; L342-L345 PolarHBondContact O-N 2.92Å; D343-L345 VanDerWaalsContact C-N 3.33Å; D343-L345 PolarHBondContact O-N 3.27Å; L345-F348 PolarHBondContact O-N 3.45Å; L345-L349 HydrophobicContact CD2-CD1 3.45Å; L345-L349 VanDerWaalsContact CD2-CD1 3.45Å; L345-L349 HydrophobicContact CD2-CG 4.18Å; L345-L349 HydrophobicContact CG-CD1 4.34Å; L345-L349 VanDerWaalsContact O-CG 3.27Å; L345-L349 WeakPolarHBondContact O-CG 3.5Å; L345-L349 PolarHBondContact O-N 3.35Å; L345-I444 HydrophobicContact CD2-CD1 3.29Å; L345-I444 HydrophobicContact CD2-CG1 4.21Å; L345-V474 HydrophobicContact CD1-CG1 4.06Å; L345-F555 HydrophobicContact CB-CE1 4.12Å; L345-F555 HydrophobicContact CB-CZ 4.27Å; L345-F555 HydrophobicContact CD1-CE1 4.34Å; L345-L559 HydrophobicContact CD1-CD1 4.37Å; L345-L559 HydrophobicContact CG-CD1 4.47Å
346L89.3Confident79.1Confident0 Ų037 Ų370%019%0.192CC..Hα-helixtrans-68.9-36.1177.5-72.5173.9000112.3L342 F348 L349 Y350 V372 I374 Y388 L389 Y394 F422 V423 I444L342-L346 HydrophobicContact CD1-CD1 4.14Å; L342-L346 HydrophobicContact CD1-CG 4.17Å; L342-L346 HydrophobicContact CD2-CD1 4.3Å; L342-L346 HydrophobicContact CG-CD1 3.79Å; L342-L346 HydrophobicContact CG-CG 4.2Å; L342-L346 WeakPolarHBondContact O-CB 3.47Å; L342-L346 VanDerWaalsContact O-CG 3.29Å; L342-L346 WeakPolarHBondContact O-CG 3.33Å; L342-L346 PolarHBondContact O-N 3.33Å; L346-F348 VanDerWaalsContact C-N 3.32Å; L346-F348 PolarHBondContact O-N 3.32Å; L346-L349 PolarHBondContact O-N 3.07Å; L346-Y350 WeakPolarHBondContact O-CB 3.49Å; L346-Y350 PolarHBondContact O-N 2.81Å; L346-V372 HydrophobicContact CD2-CB 4.49Å; L346-V372 HydrophobicContact CD2-CG1 4.22Å; L346-V372 HydrophobicContact CD2-CG2 4.31Å; L346-I374 HydrophobicContact CD1-CD1 4.29Å; L346-I374 HydrophobicContact CD2-CD1 4.4Å; L346-Y388 HydrophobicContact CD1-CE1 3.69Å; L346-L389 HydrophobicContact CD1-CD2 3.98Å; L346-Y394 HydrophobicContact CB-CE2 4.37Å; L346-F422 HydrophobicContact CB-CE1 4.33Å; L346-F422 HydrophobicContact CD2-CE1 3.94Å; L346-F422 HydrophobicContact CD2-CZ 4Å; L346-V423 HydrophobicContact CD2-CG2 4.32Å; L346-I444 HydrophobicContact CD2-CD1 4.34Å
347Q84.8Confident77Confident59 Ų5942.1 Ų42.128%0.27622%0.219SC..Hα-helixtrans-59.2-44.4172.1-73.8170.12900111.3D343 Y350 N351D343-Q347 WeakPolarHBondContact O-CB 3.38Å; D343-Q347 WeakPolarHBondContact O-CG 3.49Å; D343-Q347 PolarHBondContact O-N 2.97Å; D343-Q347 PolarHBondContact OD1-NE2 3.36Å; D343-Q347 PolarHBondContact OD2-NE2 3.23Å; Q347-Y350 PolarHBondContact O-N 3.16Å; Q347-N351 PolarHBondContact O-N 3.46Å
348F81.9Confident74.7Confident27 Ų2747.6 Ų47.612%0.11825%0.248CC..Hα-helixtrans-63.8-42.7175.1178.3-102.6000112.7L344 L345 L346 Y350 N351 P352 F555 T556 L559 W569L344-F348 PolarHBondContact O-N 3.29Å; L344-F348 VanDerWaalsContact O-N 3.17Å; L345-F348 PolarHBondContact O-N 3.45Å; L346-F348 VanDerWaalsContact C-N 3.32Å; L346-F348 PolarHBondContact O-N 3.32Å; F348-Y350 VanDerWaalsContact C-N 3.34Å; F348-Y350 PolarHBondContact O-N 3.2Å; F348-N351 CarbonylContact O-C 3.52Å; F348-N351 VanDerWaalsContact O-C 3.3Å; F348-P352 HydrophobicContact CE2-CB 4.22Å; F348-P352 HydrophobicContact CZ-CB 4.25Å; F348-P352 VanDerWaalsContact O-CA 3.25Å; F348-P352 WeakPolarHBondContact O-CA 3.49Å; F348-P352 WeakPolarHBondContact O-CD 3.33Å; F348-F555 HydrophobicContact CB-CB 4.25Å; F348-F555 HydrophobicContact CB-CD2 4.08Å; F348-F555 HydrophobicContact CB-CG 4.28Å; F348-F555 HydrophobicContact CD1-CB 3.57Å; F348-F555 HydrophobicContact CD1-CG 4.28Å; F348-F555 HydrophobicContact CD2-CB 3.78Å; F348-F555 HydrophobicContact CE1-CB 3.75Å; F348-F555 HydrophobicContact CE2-CB 3.97Å; F348-F555 HydrophobicContact CG-CB 3.57Å; F348-F555 HydrophobicContact CG-CD2 4.29Å; F348-F555 HydrophobicContact CG-CG 4.13Å; F348-F555 HydrophobicContact CZ-CB 3.95Å; F348-T556 HydrophobicContact CE2-CG2 3.63Å; F348-T556 HydrophobicContact CZ-CG2 3.88Å; F348-L559 HydrophobicContact CD1-CD1 3.86Å; F348-L559 HydrophobicContact CE1-CB 4.39Å; F348-L559 HydrophobicContact CE1-CD1 3.92Å; F348-W569 AromaticContact CE1-CH2 3.96Å; F348-W569 HydrophobicContact CE1-CH2 3.96Å; F348-W569 HydrophobicContact CE1-CZ3 4.1Å
349L84.8Confident72.6Confident0 Ų056 Ų560%028%0.284CS..Hα-helixtrans-70.1-29.3179.7-69.3179.2000113.5L345 L346 H370 V372 F422 T442 I444 L559 W569L345-L349 HydrophobicContact CD2-CD1 3.45Å; L345-L349 VanDerWaalsContact CD2-CD1 3.45Å; L345-L349 HydrophobicContact CD2-CG 4.18Å; L345-L349 HydrophobicContact CG-CD1 4.34Å; L345-L349 VanDerWaalsContact O-CG 3.27Å; L345-L349 WeakPolarHBondContact O-CG 3.5Å; L345-L349 PolarHBondContact O-N 3.35Å; L346-L349 PolarHBondContact O-N 3.07Å; L349-H370 HydrophobicContact CB-CB 4.46Å; L349-H370 HydrophobicContact CD2-CB 4.35Å; L349-V372 HydrophobicContact CB-CG2 4.33Å; L349-V372 HydrophobicContact CD1-CG1 4.39Å; L349-V372 HydrophobicContact CD1-CG2 3.63Å; L349-F422 HydrophobicContact CB-CE2 4.3Å; L349-F422 HydrophobicContact CB-CZ 4.02Å; L349-T442 HydrophobicContact CD1-CG2 3.79Å; L349-T442 HydrophobicContact CD2-CG2 4.34Å; L349-I444 HydrophobicContact CD1-CD1 4.33Å; L349-L559 HydrophobicContact CD2-CD1 4.5Å; L349-W569 HydrophobicContact CD2-CH2 3.53Å; L349-W569 HydrophobicContact CD2-CZ2 3.37Å
350Y83.2Confident70.3Confident56 Ų5660.4 Ų60.422%0.2232%0.316CS..Hα-helixtrans-69.7-46.8176.7-165.6-88.5000110.7L346 Q347 F348 S366 P368 V369 Y394 F422L346-Y350 WeakPolarHBondContact O-CB 3.49Å; L346-Y350 PolarHBondContact O-N 2.81Å; Q347-Y350 PolarHBondContact O-N 3.16Å; F348-Y350 VanDerWaalsContact C-N 3.34Å; F348-Y350 PolarHBondContact O-N 3.2Å; Y350-S366 PolarHBondContact OH-O 2.81Å; Y350-P368 HydrophobicContact CD2-CB 4.09Å; Y350-P368 HydrophobicContact CE2-CB 4.07Å; Y350-V369 PolarHBondContact O-N 3.47Å; Y350-Y394 AromaticContact CD2-CD1 3.74Å; Y350-Y394 HydrophobicContact CD2-CD1 3.74Å; Y350-Y394 AromaticContact CD2-CE1 3.54Å; Y350-Y394 HydrophobicContact CD2-CE1 3.54Å; Y350-Y394 AromaticContact CE2-CD1 3.9Å; Y350-Y394 HydrophobicContact CE2-CD1 3.9Å; Y350-Y394 HydrophobicContact CE2-CE1 4Å; Y350-Y394 HydrophobicContact CG-CD1 4.49Å; Y350-Y394 AromaticContact CG-CE1 3.84Å; Y350-Y394 HydrophobicContact CG-CE1 3.84Å; Y350-F422 AromaticContact CD2-CD1 3.78Å; Y350-F422 HydrophobicContact CD2-CD1 3.78Å; Y350-F422 HydrophobicContact CD2-CD2 4.25Å; Y350-F422 AromaticContact CD2-CE1 3.89Å; Y350-F422 HydrophobicContact CD2-CE1 3.89Å; Y350-F422 HydrophobicContact CD2-CE2 4.32Å; Y350-F422 AromaticContact CD2-CG 3.99Å; Y350-F422 HydrophobicContact CD2-CG 3.99Å; Y350-F422 HydrophobicContact CD2-CZ 4.16Å; Y350-F422 HydrophobicContact CE2-CD1 4.42Å; Y350-F422 HydrophobicContact CE2-CG 4.43Å
351N76.3Confident68.1Low36 Ų3661.6 Ų61.619%0.19332%0.321CS..  trans-138.883.2-179.5-78.5-29000112.2Q347 F348 N353Q347-N351 PolarHBondContact O-N 3.46Å; F348-N351 CarbonylContact O-C 3.52Å; F348-N351 VanDerWaalsContact O-C 3.3Å; N351-N353 PolarHBondContact O-N 3.22Å
352P64.2Low66.2Low14 Ų1468.8 Ų68.89%0.09135%0.349CS..THydrogen-bonded Turntrans-67.5-21.9-178.224.2-33.1000113.8F348 V369 T562F348-P352 HydrophobicContact CE2-CB 4.22Å; F348-P352 HydrophobicContact CZ-CB 4.25Å; F348-P352 VanDerWaalsContact O-CA 3.25Å; F348-P352 WeakPolarHBondContact O-CA 3.49Å; F348-P352 WeakPolarHBondContact O-CD 3.33Å; P352-V369 HydrophobicContact CG-CB 4.1Å; P352-V369 HydrophobicContact CG-CG1 3.98Å; P352-V369 HydrophobicContact CG-CG2 4.16Å; P352-T562 HydrophobicContact CG-CG2 4.17Å
353N58.1Low63.9Low82 Ų8273.1 Ų73.144%0.43938%0.379SS..THydrogen-bonded Turntrans-82.7-11.4-173.9-63.4-14.9000114.1N351 S355 H564N351-N353 PolarHBondContact O-N 3.22Å; N353-S355 PolarHBondContact O-N 3.2Å; N353-H564 VanDerWaalsContact CG-ND1 3.35Å; N353-H564 PolarHBondContact OD1-CE1 3.41Å; N353-H564 VanDerWaalsContact OD1-CE1 3.3Å; N353-H564 PolarHBondContact OD1-ND1 3.02Å
354N56.4Low61.5Low94 Ų9477 Ų7750%0.50341%0.407SS..  trans-99.784.4177.6-76.5-14.2000109.7Q356N354-Q356 PolarHBondContact O-N 2.88Å
355S50.8Low59.8Low119 Ų11985 Ų8583%0.83244%0.441SS*.  trans-73.4-0.517350.50000113.7N353N353-S355 PolarHBondContact O-N 3.2Å
356Q43.2Very low58.4Low154 Ų15487.3 Ų87.372%0.7246%0.456SS*.SBendtrans-103.7115.8170.8-77.2176.1-7.600109.6N354 D358N354-Q356 PolarHBondContact O-N 2.88Å; Q356-D358 PolarHBondContact O-N 3.26Å
357L45Very low57.1Low108 Ų10893.8 Ų93.857%0.56549%0.485SS*.  trans-60.451170.7-76.8151.1000112.4K359L357-K359 PolarHBondContact O-N 2.77Å
358D38.3Very low56.6Low116 Ų11691.9 Ų91.962%0.6248%0.477SS*.  trans-80.7104.8173.4-104.9-3.8000109.1Q356 S360Q356-D358 PolarHBondContact O-N 3.26Å; D358-S360 PolarHBondContact O-N 3.17Å
359K47Very low56.5Low178 Ų17892.4 Ų92.477%0.77448%0.483SS*.THydrogen-bonded Turntrans-65.49.7-178.3-64.3178.5176.5-175.60114L357L357-K359 PolarHBondContact O-N 2.77Å
360S42.8Very low56.6Low95 Ų9592.4 Ų92.466%0.66448%0.483SS*.THydrogen-bonded Turntrans-91-3.1-178.955.80000113.8D358 Y362D358-S360 PolarHBondContact O-N 3.17Å; S360-Y362 PolarHBondContact O-N 2.98Å
361F44Very low57Low106 Ų10690.9 Ų90.947%0.46548%0.477SS..  trans-92.726-167.5-150.9-97.2000116.1S363F361-S363 PolarHBondContact O-N 3.47Å
362Y47.2Very low57.8Low157 Ų15789.2 Ų89.262%0.61647%0.468SS*.  trans-77.110.5173.3-69.5-74.2000113.7S360 S364S360-Y362 PolarHBondContact O-N 2.98Å; Y362-S364 PolarHBondContact O-N 3.42Å
363S42.5Very low59.2Low94 Ų9488.5 Ų88.566%0.65746%0.464SS*.  trans-88.186.9178.2-176.60000112F361F361-S363 PolarHBondContact O-N 3.47Å
364S40.6Very low61Low89 Ų8984.6 Ų84.662%0.62244%0.443SS*.SBendtrans24.799.7136.9-163.60000117.7Y362Y362-S364 PolarHBondContact O-N 3.42Å
365K48.5Very low62.9Low201 Ų20180.1 Ų80.187%0.87442%0.419SS*.  trans153.7-5.5143.5-85.7169.4-175.5171.50115.9K367K365-K367 PolarHBondContact O-N 2.97Å
366S56.6Low64.9Low48 Ų4874.5 Ų74.534%0.33638%0.379SS..PPolyproline II helixtrans-75.4124.2177.8-53.20000111.2Y350Y350-S366 PolarHBondContact OH-O 2.81Å
367K63.7Low67.3Low137 Ų13769.1 Ų69.160%0.59635%0.354SS*.PPolyproline II helixtrans-64.3141.1173-65.3-177.4177.3-172.60110K365 V369K365-K367 PolarHBondContact O-N 2.97Å; K367-V369 PolarHBondContact O-N 3.29Å
368P73.6Confident69.5Low19 Ų1965.7 Ų65.712%0.12334%0.336CS..PPolyproline II helixtrans-62.613617526.7-33.7000110.4Y350 F422Y350-P368 HydrophobicContact CD2-CB 4.09Å; Y350-P368 HydrophobicContact CE2-CB 4.07Å; P368-F422 HydrophobicContact CB-CB 4.09Å; P368-F422 HydrophobicContact CB-CD2 3.45Å; P368-F422 VanDerWaalsContact CB-CD2 3.45Å; P368-F422 HydrophobicContact CB-CE2 4.15Å; P368-F422 HydrophobicContact CB-CG 4.01Å; P368-F422 HydrophobicContact CG-CB 4.12Å; P368-F422 HydrophobicContact CG-CD2 4.26Å
369V79.5Confident72Confident38 Ų3863.4 Ų63.423%0.2333%0.326CS..SBendtrans-72.1-45.4178.5179.40000111Y350 P352 K367 T562Y350-V369 PolarHBondContact O-N 3.47Å; P352-V369 HydrophobicContact CG-CB 4.1Å; P352-V369 HydrophobicContact CG-CG1 3.98Å; P352-V369 HydrophobicContact CG-CG2 4.16Å; K367-V369 PolarHBondContact O-N 3.29Å; V369-T562 HydrophobicContact CG1-CG2 4.06Å
370H86.7Confident74.2Confident0 Ų060.1 Ų60.10%031%0.309CS..SBendtrans-109.6152.3179.6-65.1-59.9000111.9L349 F422 D441 T562 G567 W569L349-H370 HydrophobicContact CB-CB 4.46Å; L349-H370 HydrophobicContact CD2-CB 4.35Å; H370-F422 WeakPolarHBondContact O-CD2 3.49Å; H370-F422 WeakPolarHBondContact O-CE2 3.28Å; H370-D441 WeakPolarHBondContact CB-OD1 3.42Å; H370-D441 IonicContact CE1-OD2 3.28Å; H370-D441 IonicContact CG-OD1 3.39Å; H370-D441 IonicContact CG-OD2 3.55Å; H370-D441 IonicContact ND1-OD1 3Å; H370-D441 IonicContact ND1-OD2 3.11Å; H370-D441 PolarHBondContact ND1-OD2 3.05Å; H370-T562 WeakPolarHBondContact NE2-CG2 3.32Å; H370-T562 PolarHBondContact NE2-OG1 2.94Å; H370-G567 PolarHBondContact CE1-O 3.41Å; H370-W569 AromaticContact CD2-CZ2 3.85Å; H370-W569 AromaticContact CE1-CE2 3.67Å; H370-W569 AromaticContact CE1-NE1 3.72Å; H370-W569 AromaticContact ND1-CE2 3.91Å; H370-W569 AromaticContact ND1-NE1 3.66Å; H370-W569 AromaticContact NE2-CE2 3.9Å; H370-W569 AromaticContact NE2-CZ2 3.83Å
371K91.1Very high76.6Confident24 Ų2455.6 Ų55.610%0.10428%0.277CS..  trans-113.8128.3175-84-171.3170.5-169.30109.5F415 D418 T421 A440 D441 T442K371-F415 HydrophobicContact CB-CZ 4.17Å; K371-F415 HydrophobicContact CD-CE2 4.47Å; K371-F415 HydrophobicContact CD-CZ 4.26Å; K371-F415 PolarHBondContact NZ-O 2.84Å; K371-D418 PolarHBondContact NZ-O 2.88Å; K371-T421 WeakPolarHBondContact CE-O 3.47Å; K371-A440 HydrophobicContact CB-CB 4.48Å; K371-D441 PolarHBondContact N-OD1 3.01Å; K371-D441 PolarHBondContact O-N 3.34Å; K371-T442 PolarHBondContact O-N 3.14Å
372V93.6Very high79Confident0 Ų050.6 Ų50.60%026%0.255CS..EExtended strand (participates in β ladder)trans-116.4128.4-164-1710000111.4L346 L349 I374 F422 V423 F424 T442 I444L346-V372 HydrophobicContact CD2-CB 4.49Å; L346-V372 HydrophobicContact CD2-CG1 4.22Å; L346-V372 HydrophobicContact CD2-CG2 4.31Å; L349-V372 HydrophobicContact CB-CG2 4.33Å; L349-V372 HydrophobicContact CD1-CG1 4.39Å; L349-V372 HydrophobicContact CD1-CG2 3.63Å; V372-I374 HydrophobicContact CG1-CG1 4Å; V372-F422 HydrophobicContact CG2-CD2 4.36Å; V372-F422 HydrophobicContact CG2-CE2 3.69Å; V372-F422 HydrophobicContact CG2-CZ 3.98Å; V372-F422 PolarHBondContact N-O 2.69Å; V372-V423 CarbonylContact O-C 3.57Å; V372-V423 WeakPolarHBondContact O-CA 3.45Å; V372-F424 PolarHBondContact O-N 2.87Å; V372-T442 CarbonylContact C-O 3.56Å; V372-T442 WeakPolarHBondContact CA-O 3.42Å; V372-I444 HydrophobicContact CG1-CD1 3.42Å; V372-I444 VanDerWaalsContact CG1-CD1 3.42Å; V372-I444 HydrophobicContact CG1-CG1 3.85Å
373L94.9Very high81.2Confident0 Ų046.2 Ų46.20%024%0.243CC..EExtended strand (participates in β ladder)trans-97.6123.7166.9-54.1-176.7000109F375 F415 F424 L426 L437 A440 T442 V443 I444 A462L373-F375 HydrophobicContact CB-CD2 4.5Å; L373-F375 HydrophobicContact CB-CE2 3.9Å; L373-F375 HydrophobicContact CB-CZ 4.44Å; L373-F375 HydrophobicContact CD1-CE2 4.29Å; L373-F375 HydrophobicContact CD1-CZ 4.39Å; L373-F415 HydrophobicContact CD2-CE1 3.71Å; L373-F415 HydrophobicContact CD2-CZ 3.67Å; L373-F424 HydrophobicContact CD2-CB 3.58Å; L373-F424 HydrophobicContact CD2-CD2 4.38Å; L373-F424 HydrophobicContact CD2-CG 4.34Å; L373-L426 HydrophobicContact CB-CD1 4.36Å; L373-L426 HydrophobicContact CD1-CD1 4.48Å; L373-L426 HydrophobicContact CD2-CD1 4.14Å; L373-L437 HydrophobicContact CD1-CB 3.94Å; L373-L437 HydrophobicContact CD1-CD1 3.82Å; L373-L437 HydrophobicContact CD2-CB 4.44Å; L373-L437 HydrophobicContact CD2-CD1 4.08Å; L373-A440 HydrophobicContact CD1-CB 3.91Å; L373-A440 HydrophobicContact CD2-CB 3.73Å; L373-A440 HydrophobicContact CG-CB 3.49Å; L373-A440 VanDerWaalsContact CG-CB 3.49Å; L373-T442 PolarHBondContact N-O 3.43Å; L373-V443 HydrophobicContact CB-CG2 4.34Å; L373-V443 HydrophobicContact CD1-CG2 4.2Å; L373-V443 CarbonylContact O-C 3.54Å; L373-V443 WeakPolarHBondContact O-CA 3.38Å; L373-I444 PolarHBondContact O-N 3.41Å; L373-A462 HydrophobicContact CD1-CB 4Å
374I95.6Very high83.6Confident0 Ų042.5 Ų42.50%022%0.215CC..EExtended strand (participates in β ladder)trans-109.6116.9176.2-57.9-178.2000108.7L342 L346 V372 I385 V423 F424 L425 L426 I444 V446L342-I374 HydrophobicContact CD1-CD1 4.33Å; L342-I374 HydrophobicContact CD2-CD1 4.41Å; L346-I374 HydrophobicContact CD1-CD1 4.29Å; L346-I374 HydrophobicContact CD2-CD1 4.4Å; V372-I374 HydrophobicContact CG1-CG1 4Å; I374-I385 HydrophobicContact CD1-CG2 4.46Å; I374-I385 HydrophobicContact CG2-CD1 4.21Å; I374-V423 HydrophobicContact CB-CG1 4.48Å; I374-V423 HydrophobicContact CD1-CG1 3.57Å; I374-V423 HydrophobicContact CG1-CG1 3.84Å; I374-F424 PolarHBondContact N-O 3.48Å; I374-L425 HydrophobicContact CB-CD2 3.97Å; I374-L425 HydrophobicContact CD1-CD2 4.24Å; I374-L425 HydrophobicContact CG2-CD2 4.33Å; I374-L426 PolarHBondContact O-N 3.14Å; I374-I444 WeakPolarHBondContact CA-O 3.26Å; I374-I444 HydrophobicContact CG1-CB 4.46Å; I374-I444 HydrophobicContact CG1-CD1 4.4Å; I374-V446 HydrophobicContact CG2-CG2 3.51Å
375F94.7Very high86.2Confident0 Ų038.2 Ų38.20%019%0.185CC..EExtended strand (participates in β ladder)trans-100.6134.9176.6-69.4-76000111.5L373 L426 V443 I444 F445 V446 A458L373-F375 HydrophobicContact CB-CD2 4.5Å; L373-F375 HydrophobicContact CB-CE2 3.9Å; L373-F375 HydrophobicContact CB-CZ 4.44Å; L373-F375 HydrophobicContact CD1-CE2 4.29Å; L373-F375 HydrophobicContact CD1-CZ 4.39Å; F375-L426 WeakPolarHBondContact CA-O 3.42Å; F375-L426 HydrophobicContact CD1-CB 3.52Å; F375-L426 HydrophobicContact CD1-CD1 4.45Å; F375-L426 HydrophobicContact CE1-CB 3.37Å; F375-L426 HydrophobicContact CE1-CD1 3.6Å; F375-L426 HydrophobicContact CE1-CG 4.06Å; F375-L426 HydrophobicContact CE2-CD1 4.46Å; F375-L426 HydrophobicContact CG-CB 4.47Å; F375-L426 HydrophobicContact CZ-CB 4.23Å; F375-L426 HydrophobicContact CZ-CD1 3.61Å; F375-V443 HydrophobicContact CD2-CG1 3.61Å; F375-V443 HydrophobicContact CE2-CG1 3.58Å; F375-I444 PolarHBondContact N-O 3.26Å; F375-F445 HydrophobicContact CB-CD1 3.63Å; F375-F445 HydrophobicContact CB-CE1 3.77Å; F375-F445 HydrophobicContact CB-CG 4.48Å; F375-F445 HydrophobicContact CD2-CD1 4.36Å; F375-F445 AromaticContact CD2-CE1 3.86Å; F375-F445 HydrophobicContact CD2-CE1 3.86Å; F375-F445 HydrophobicContact CD2-CZ 4.05Å; F375-F445 HydrophobicContact CG-CD1 4.28Å; F375-F445 AromaticContact CG-CE1 3.92Å; F375-F445 HydrophobicContact CG-CE1 3.92Å; F375-V446 PolarHBondContact O-N 3.41Å; F375-A458 HydrophobicContact CD1-CB 4.17Å; F375-A458 HydrophobicContact CD2-CB 4.46Å; F375-A458 HydrophobicContact CE1-CB 3.86Å; F375-A458 HydrophobicContact CE2-CB 4.17Å; F375-A458 HydrophobicContact CG-CB 4.45Å; F375-A458 HydrophobicContact CZ-CB 3.87Å
376S94.8Very high88.4Confident0 Ų031.1 Ų31.10%016%0.155CC..EExtended strand (participates in β ladder)trans-137.7144.8169.8173.50000110.8M378 L426 S427 T428 D447S376-M378 PolarHBondContact OG-N 3.11Å; S376-M378 VanDerWaalsContact OG-N 3.15Å; S376-M378 PolarHBondContact OG-O 3.47Å; S376-L426 PolarHBondContact N-O 3.35Å; S376-S427 VanDerWaalsContact O-CA 3.28Å; S376-S427 WeakPolarHBondContact O-CA 3.41Å; S376-T428 PolarHBondContact O-N 3.44Å; S376-T428 PolarHBondContact O-OG1 3.41Å; S376-D447 WeakPolarHBondContact CA-OD1 3.42Å
377Q92.3Very high90.1Very high41 Ų4129.6 Ų29.619%0.19214%0.144CC..SBendtrans-75.8-35.2171.1-64.4-66.3-21.100111.4T428 D447 D449Q377-T428 PolarHBondContact NE2-OG1 2.92Å; Q377-D447 WeakPolarHBondContact CB-OD2 3.23Å; Q377-D447 PolarHBondContact N-OD1 3.46Å; Q377-D449 VanDerWaalsContact CD-OD2 3.27Å; Q377-D449 PolarHBondContact NE2-OD2 3.04Å; Q377-D449 PolarHBondContact OE1-OD2 3.27Å
378M91Very high91.5Very high36 Ų3623.1 Ų23.118%0.17712%0.115CC..  trans-95.8120.4-177.6-59.2-172.2-171.200111.1R309 K310 L317 S376 R380 M381 L382R309-M378 HydrophobicContact CB-CE 3.88Å; K310-M378 HydrophobicContact CG-CE 3.77Å; K310-M378 HydrophobicContact CG-SD 3.7Å; L317-M378 HydrophobicContact CD1-SD 4.13Å; S376-M378 PolarHBondContact OG-N 3.11Å; S376-M378 VanDerWaalsContact OG-N 3.15Å; S376-M378 PolarHBondContact OG-O 3.47Å; M378-R380 VanDerWaalsContact C-N 3.34Å; M378-R380 PolarHBondContact O-N 3.14Å; M378-M381 HydrophobicContact CB-CB 3.99Å; M378-M381 WeakPolarHBondContact O-CB 3.41Å; M378-M381 PolarHBondContact O-N 3.36Å; M378-M381 VanDerWaalsContact O-N 3.11Å; M378-L382 PolarHBondContact O-N 2.94Å
379T91.9Very high92.4Very high68 Ų6822.2 Ų22.242%0.41711%0.109SC..Hα-helixtrans-64.3-36.417652.10000112.6M381 L382 D383 D400T379-M381 PolarHBondContact O-N 3.34Å; T379-L382 WeakPolarHBondContact O-CA 3.43Å; T379-L382 WeakPolarHBondContact O-CB 3.26Å; T379-L382 PolarHBondContact O-N 3.35Å; T379-D383 PolarHBondContact O-N 3.39Å; T379-D400 HydrophobicContact CG2-CB 4.33Å
380R91.9Very high92.9Very high109 Ų10923.4 Ų23.441%0.41112%0.117SC..Hα-helixtrans-60.3-30.3172.6-73.4-175.669170.9-0.3113.1L317 D319 M378 D383 I384L317-R380 HydrophobicContact CD2-CB 3.57Å; D319-R380 IonicContact OD1-CZ 2.92Å; D319-R380 IonicContact OD1-NH1 2.8Å; D319-R380 PolarHBondContact OD1-NH1 3.2Å; D319-R380 IonicContact OD1-NH2 3.79Å; D319-R380 PolarHBondContact OD1-NH2 3.5Å; M378-R380 VanDerWaalsContact C-N 3.34Å; M378-R380 PolarHBondContact O-N 3.14Å; R380-D383 WeakPolarHBondContact CA-OD2 3.31Å; R380-D383 WeakPolarHBondContact O-CB 3.44Å; R380-D383 PolarHBondContact O-N 2.9Å; R380-I384 PolarHBondContact O-N 3.08Å
381M94.2Very high92.9Very high1 Ų126 Ų261%0.00513%0.131CC..Hα-helixtrans-71.9-35.5174-17564.8-162.900110.9N313 H314 L317 M378 T379 D383 I384 I385 V446N313-M381 HydrophobicContact CB-SD 4Å; H314-M381 HydrophobicContact CB-CE 4.24Å; H314-M381 HydrophobicContact CB-SD 3.74Å; L317-M381 HydrophobicContact CD1-SD 4.33Å; M378-M381 HydrophobicContact CB-CB 3.99Å; M378-M381 WeakPolarHBondContact O-CB 3.41Å; M378-M381 PolarHBondContact O-N 3.36Å; M378-M381 VanDerWaalsContact O-N 3.11Å; T379-M381 PolarHBondContact O-N 3.34Å; M381-D383 VanDerWaalsContact C-N 3.28Å; M381-D383 PolarHBondContact O-N 3.34Å; M381-I384 PolarHBondContact O-N 3.33Å; M381-I384 HydrophobicContact SD-CD1 4.47Å; M381-I385 HydrophobicContact CE-CD1 4.08Å; M381-I385 HydrophobicContact CE-CG1 3.95Å; M381-I385 HydrophobicContact CG-CD1 4.16Å; M381-I385 WeakPolarHBondContact O-CG1 3.14Å; M381-I385 PolarHBondContact O-N 3.29Å; M381-V446 HydrophobicContact CE-CG1 4.06Å; M381-V446 HydrophobicContact CG-CG1 4.28Å
382L94.3Very high92.7Very high0 Ų026.4 Ų26.40%013%0.131CC..Hα-helixtrans-63.5-35172-63.3176.3000111.6M378 T379 I385 Q386 L425M378-L382 PolarHBondContact O-N 2.94Å; T379-L382 WeakPolarHBondContact O-CA 3.43Å; T379-L382 WeakPolarHBondContact O-CB 3.26Å; T379-L382 PolarHBondContact O-N 3.35Å; L382-I385 PolarHBondContact O-N 2.95Å; L382-Q386 VanDerWaalsContact O-CB 3.23Å; L382-Q386 WeakPolarHBondContact O-CB 3.42Å; L382-Q386 PolarHBondContact O-N 3.26Å; L382-L425 HydrophobicContact CD2-CB 4.29Å; L382-L425 HydrophobicContact CD2-CD2 4.45Å
383D93.3Very high92.2Very high65 Ų6528.8 Ų28.835%0.34816%0.156SC..Hα-helixtrans-60.8-45173.6-57-29.6000111.2T379 R380 M381 Q386 D387 R398T379-D383 PolarHBondContact O-N 3.39Å; R380-D383 WeakPolarHBondContact CA-OD2 3.31Å; R380-D383 WeakPolarHBondContact O-CB 3.44Å; R380-D383 PolarHBondContact O-N 2.9Å; M381-D383 VanDerWaalsContact C-N 3.28Å; M381-D383 PolarHBondContact O-N 3.34Å; D383-Q386 WeakPolarHBondContact O-CB 3.47Å; D383-Q386 PolarHBondContact O-N 3.33Å; D383-D387 PolarHBondContact O-N 2.85Å; D383-R398 IonicContact OD1-CZ 2.71Å; D383-R398 IonicContact OD1-NH1 3.43Å; D383-R398 PolarHBondContact OD1-NH1 3.14Å; D383-R398 IonicContact OD1-NH2 3.82Å; D383-R398 PolarHBondContact OD1-NH2 2.84Å
384I93.7Very high91.9Very high16 Ų1630.2 Ų30.28%0.08216%0.162CC..Hα-helixtrans-63.8-43.6176.9-67.7170.9000111.4H314 L317 L332 L339 R380 M381 Q386 D387 Y388H314-I384 HydrophobicContact CB-CD1 3.88Å; L317-I384 HydrophobicContact CD2-CD1 3.67Å; L317-I384 HydrophobicContact CG-CD1 3.9Å; L332-I384 HydrophobicContact CD1-CG2 4Å; L332-I384 HydrophobicContact CG-CG2 4.46Å; L339-I384 HydrophobicContact CD2-CG2 4.26Å; R380-I384 PolarHBondContact O-N 3.08Å; M381-I384 PolarHBondContact O-N 3.33Å; M381-I384 HydrophobicContact SD-CD1 4.47Å; I384-Q386 VanDerWaalsContact C-N 3.3Å; I384-Q386 PolarHBondContact O-N 3.28Å; I384-D387 PolarHBondContact O-N 3.16Å; I384-Y388 PolarHBondContact O-N 3.43Å
385I94.4Very high91.6Very high0 Ų032.4 Ų32.40%018%0.177CC..Hα-helixtrans-65.6-37.6177.2-64.6167.7000110.2L339 L342 I374 M381 L382 Y388 L389 L425 V446L339-I385 HydrophobicContact CD1-CG1 4.45Å; L342-I385 HydrophobicContact CD2-CD1 4.46Å; L342-I385 HydrophobicContact CD2-CG1 4.39Å; L342-I385 HydrophobicContact CD2-CG2 4.3Å; I374-I385 HydrophobicContact CD1-CG2 4.46Å; I374-I385 HydrophobicContact CG2-CD1 4.21Å; M381-I385 HydrophobicContact CE-CD1 4.08Å; M381-I385 HydrophobicContact CE-CG1 3.95Å; M381-I385 HydrophobicContact CG-CD1 4.16Å; M381-I385 WeakPolarHBondContact O-CG1 3.14Å; M381-I385 PolarHBondContact O-N 3.29Å; L382-I385 PolarHBondContact O-N 2.95Å; I385-Y388 WeakPolarHBondContact O-CB 3.49Å; I385-Y388 PolarHBondContact O-N 3.19Å; I385-L389 HydrophobicContact CG2-CD1 4.15Å; I385-L389 HydrophobicContact CG2-CG 4.19Å; I385-L389 VanDerWaalsContact O-CG 3.31Å; I385-L389 WeakPolarHBondContact O-CG 3.5Å; I385-L389 PolarHBondContact O-N 3.02Å; I385-L425 HydrophobicContact CG2-CD2 3.73Å; I385-V446 HydrophobicContact CD1-CG1 4.36Å; I385-V446 HydrophobicContact CD1-CG2 3.86Å
386Q93.9Very high91.5Very high51 Ų5135.5 Ų35.524%0.23819%0.189CC..Hα-helixtrans-61.3-43.9175.6-174.1179.5-38.800111.8L382 D383 I384 Y388 L389 T390 Y396 R398 L425L382-Q386 VanDerWaalsContact O-CB 3.23Å; L382-Q386 WeakPolarHBondContact O-CB 3.42Å; L382-Q386 PolarHBondContact O-N 3.26Å; D383-Q386 WeakPolarHBondContact O-CB 3.47Å; D383-Q386 PolarHBondContact O-N 3.33Å; I384-Q386 VanDerWaalsContact C-N 3.3Å; I384-Q386 PolarHBondContact O-N 3.28Å; Q386-Y388 VanDerWaalsContact C-N 3.32Å; Q386-Y388 PolarHBondContact O-N 2.94Å; Q386-L389 PolarHBondContact O-N 2.99Å; Q386-T390 WeakPolarHBondContact O-CB 3.32Å; Q386-T390 PolarHBondContact O-N 2.84Å; Q386-T390 PolarHBondContact O-OG1 3Å; Q386-Y396 HydrophobicContact CG-CD2 4.49Å; Q386-Y396 HydrophobicContact CG-CE1 4.27Å; Q386-Y396 HydrophobicContact CG-CE2 3.53Å; Q386-Y396 WeakPolarHBondContact CG-OH 3.37Å; Q386-Y396 PolarHBondContact NE2-OH 2.86Å; Q386-R398 VanDerWaalsContact OE1-CD 3.28Å; Q386-L425 HydrophobicContact CB-CD1 4.05Å
387D92.3Very high91.4Very high17 Ų1738.2 Ų38.29%0.09120%0.202CC..Hα-helixtrans-61.8-40.9174.3-77.3-24.5000111.3L328 L332 D383 I384 T390 L391 Y960 R964L328-D387 HydrophobicContact CD2-CB 3.71Å; L332-D387 HydrophobicContact CD2-CB 4.13Å; D383-D387 PolarHBondContact O-N 2.85Å; I384-D387 PolarHBondContact O-N 3.16Å; D387-T390 PolarHBondContact O-N 2.74Å; D387-L391 WeakPolarHBondContact O-CB 3.48Å; D387-L391 PolarHBondContact O-N 2.75Å; D387-Y960 PolarHBondContact OD2-OH 3.17Å; D387-R964 IonicContact OD1-CZ 3.09Å; D387-R964 IonicContact OD1-NH1 2.75Å; D387-R964 PolarHBondContact OD1-NH1 3.03Å; D387-R964 IonicContact OD1-NH2 2.69Å; D387-R964 PolarHBondContact OD1-NH2 3.05Å; D387-R964 IonicContact OD2-CZ 3.66Å; D387-R964 IonicContact OD2-NH1 2.87Å; D387-R964 PolarHBondContact OD2-NH1 3.19Å; D387-R964 IonicContact OD2-NH2 2.68Å
388Y93.1Very high91.4Very high0 Ų038.8 Ų38.80%020%0.202CC..Hα-helixtrans-63.6-45.7173.7159.1-96.2000113.4V333 L339 D343 L346 I384 I385 Q386 T390 L391 R392V333-Y388 HydrophobicContact CG2-CD2 3.67Å; V333-Y388 HydrophobicContact CG2-CE2 3.97Å; L339-Y388 HydrophobicContact CD1-CD1 4.03Å; L339-Y388 HydrophobicContact CD1-CD2 4.25Å; L339-Y388 HydrophobicContact CD1-CG 3.79Å; L339-Y388 HydrophobicContact CD2-CG 4.46Å; L339-Y388 HydrophobicContact CG-CD2 4.33Å; L339-Y388 HydrophobicContact CG-CG 4.31Å; D343-Y388 VanDerWaalsContact CA-OH 3.25Å; D343-Y388 WeakPolarHBondContact CA-OH 3.12Å; D343-Y388 HydrophobicContact CB-CE2 3.77Å; D343-Y388 VanDerWaalsContact OD1-CE2 3.27Å; D343-Y388 WeakPolarHBondContact OD1-CE2 3.44Å; D343-Y388 PolarHBondContact OD1-OH 2.79Å; L346-Y388 HydrophobicContact CD1-CE1 3.69Å; I384-Y388 PolarHBondContact O-N 3.43Å; I385-Y388 WeakPolarHBondContact O-CB 3.49Å; I385-Y388 PolarHBondContact O-N 3.19Å; Q386-Y388 VanDerWaalsContact C-N 3.32Å; Q386-Y388 PolarHBondContact O-N 2.94Å; Y388-T390 VanDerWaalsContact C-N 3.27Å; Y388-T390 PolarHBondContact O-N 2.99Å; Y388-L391 WeakPolarHBondContact O-CB 3.39Å; Y388-L391 PolarHBondContact O-N 3.37Å; Y388-R392 HydrophobicContact CD2-CG 4.15Å; Y388-R392 HydrophobicContact CE2-CG 3.49Å; Y388-R392 VanDerWaalsContact CE2-CG 3.49Å; Y388-R392 PolarHBondContact O-N 3.19Å
389L92.2Very high91.3Very high0 Ų037 Ų370%019%0.194CC..Hα-helixtrans-63.9-37.2178.1-68.1175.7000111L346 I385 Q386 R392 G393 Y394 Y396 V423 L425L346-L389 HydrophobicContact CD1-CD2 3.98Å; I385-L389 HydrophobicContact CG2-CD1 4.15Å; I385-L389 HydrophobicContact CG2-CG 4.19Å; I385-L389 VanDerWaalsContact O-CG 3.31Å; I385-L389 WeakPolarHBondContact O-CG 3.5Å; I385-L389 PolarHBondContact O-N 3.02Å; Q386-L389 PolarHBondContact O-N 2.99Å; L389-R392 PolarHBondContact O-N 3.41Å; L389-G393 PolarHBondContact O-N 3.26Å; L389-Y394 HydrophobicContact CD2-CD2 3.83Å; L389-Y394 HydrophobicContact CD2-CG 4.41Å; L389-Y394 PolarHBondContact O-N 3.44Å; L389-Y396 HydrophobicContact CB-CD1 3.73Å; L389-Y396 HydrophobicContact CB-CE1 4.12Å; L389-Y396 HydrophobicContact CD1-CD1 3.98Å; L389-Y396 HydrophobicContact CD1-CG 3.92Å; L389-V423 HydrophobicContact CD1-CB 4.16Å; L389-V423 HydrophobicContact CD1-CG1 3.89Å; L389-V423 HydrophobicContact CD1-CG2 4.5Å; L389-V423 HydrophobicContact CD2-CG2 4.15Å; L389-L425 HydrophobicContact CD1-CD1 4.07Å; L389-L425 HydrophobicContact CD1-CD2 3.92Å; L389-L425 HydrophobicContact CD1-CG 4.12Å
390T90Very high91.1Very high64 Ų6434.2 Ų34.239%0.39318%0.176SC..Hα-helixtrans-66.1-41.6174.3-53.20000111.2Q386 D387 Y388 R392 G393 Y396Q386-T390 WeakPolarHBondContact O-CB 3.32Å; Q386-T390 PolarHBondContact O-N 2.84Å; Q386-T390 PolarHBondContact O-OG1 3Å; D387-T390 PolarHBondContact O-N 2.74Å; Y388-T390 VanDerWaalsContact C-N 3.27Å; Y388-T390 PolarHBondContact O-N 2.99Å; T390-R392 VanDerWaalsContact C-N 3.34Å; T390-R392 PolarHBondContact O-N 2.91Å; T390-G393 PolarHBondContact O-N 3.48Å; T390-Y396 PolarHBondContact OG1-OH 2.8Å
391L87.7Confident90.6Very high55 Ų5532.2 Ų32.229%0.28819%0.189SC..Hα-helixtrans-60.9-40175.217769.1000112.4L328 D387 Y388L328-L391 HydrophobicContact CB-CD1 4.27Å; D387-L391 WeakPolarHBondContact O-CB 3.48Å; D387-L391 PolarHBondContact O-N 2.75Å; Y388-L391 WeakPolarHBondContact O-CB 3.39Å; Y388-L391 PolarHBondContact O-N 3.37Å
392R86.8Confident89.9Confident31 Ų3137 Ų3712%0.11722%0.223CC..Hα-helixtrans-85.1-9.5178.5-67.5-65.3-170.9-135.2-6.6114E330 D343 Y388 L389 T390 Y394E330-R392 IonicContact OE1-CZ 3.94Å; E330-R392 IonicContact OE1-NH1 3.65Å; E330-R392 PolarHBondContact OE1-NH1 3.3Å; E330-R392 IonicContact OE1-NH2 2.81Å; E330-R392 PolarHBondContact OE1-NH2 2.8Å; E330-R392 IonicContact OE2-CZ 3.75Å; E330-R392 IonicContact OE2-NH1 2.69Å; E330-R392 IonicContact OE2-NH2 3.78Å; E330-R392 PolarHBondContact OE2-NH2 2.96Å; D343-R392 IonicContact OD1-CZ 3.12Å; D343-R392 IonicContact OD1-NE 3.94Å; D343-R392 PolarHBondContact OD1-NE 2.88Å; D343-R392 IonicContact OD1-NH2 2.73Å; D343-R392 IonicContact OD2-CZ 3.27Å; D343-R392 IonicContact OD2-NE 2.74Å; D343-R392 PolarHBondContact OD2-NE 3.4Å; D343-R392 IonicContact OD2-NH2 3.5Å; D343-R392 PolarHBondContact OD2-NH2 3.41Å; Y388-R392 HydrophobicContact CD2-CG 4.15Å; Y388-R392 HydrophobicContact CE2-CG 3.49Å; Y388-R392 VanDerWaalsContact CE2-CG 3.49Å; Y388-R392 PolarHBondContact O-N 3.19Å; L389-R392 PolarHBondContact O-N 3.41Å; T390-R392 VanDerWaalsContact C-N 3.34Å; T390-R392 PolarHBondContact O-N 2.91Å; R392-Y394 HydrophobicContact CB-CD2 3.7Å; R392-Y394 HydrophobicContact CB-CE2 3.61Å; R392-Y394 HydrophobicContact CB-CG 4.47Å; R392-Y394 HydrophobicContact CG-CE2 4.21Å
393G83.8Confident89.2Confident51 Ų5138.7 Ų38.753%0.52623%0.233SC..THydrogen-bonded Turntrans76.822.6179.600000115L389 T390L389-G393 PolarHBondContact O-N 3.26Å; T390-G393 PolarHBondContact O-N 3.48Å
394Y87.9Confident88.3Confident30 Ų3044.9 Ų44.912%0.11825%0.252CS..  trans-80.7139.6177.9-65.9-48.5000111.9L346 Y350 L389 R392 Y396 F422L346-Y394 HydrophobicContact CB-CE2 4.37Å; Y350-Y394 AromaticContact CD2-CD1 3.74Å; Y350-Y394 HydrophobicContact CD2-CD1 3.74Å; Y350-Y394 AromaticContact CD2-CE1 3.54Å; Y350-Y394 HydrophobicContact CD2-CE1 3.54Å; Y350-Y394 AromaticContact CE2-CD1 3.9Å; Y350-Y394 HydrophobicContact CE2-CD1 3.9Å; Y350-Y394 HydrophobicContact CE2-CE1 4Å; Y350-Y394 HydrophobicContact CG-CD1 4.49Å; Y350-Y394 AromaticContact CG-CE1 3.84Å; Y350-Y394 HydrophobicContact CG-CE1 3.84Å; L389-Y394 HydrophobicContact CD2-CD2 3.83Å; L389-Y394 HydrophobicContact CD2-CG 4.41Å; L389-Y394 PolarHBondContact O-N 3.44Å; R392-Y394 HydrophobicContact CB-CD2 3.7Å; R392-Y394 HydrophobicContact CB-CE2 3.61Å; R392-Y394 HydrophobicContact CB-CG 4.47Å; R392-Y394 HydrophobicContact CG-CE2 4.21Å; Y394-Y396 WeakPolarHBondContact O-CD1 3.31Å; Y394-F422 AromaticContact CD1-CD1 3.92Å; Y394-F422 HydrophobicContact CD1-CD1 3.92Å; Y394-F422 HydrophobicContact CD1-CE1 4.21Å; Y394-F422 HydrophobicContact CE1-CD1 4.49Å; Y394-F422 HydrophobicContact CE1-CE1 4.36Å; Y394-F422 HydrophobicContact CG-CD1 4.01Å; Y394-F422 HydrophobicContact CG-CE1 4.32Å
395S89.7Confident87.3Confident46 Ų4646.8 Ų46.832%0.32228%0.275SS..  trans-72.6134171.655.20000110.8E420 T421 F422 V423S395-E420 PolarHBondContact OG-O 3.42Å; S395-T421 WeakPolarHBondContact OG-CA 3.35Å; S395-F422 PolarHBondContact O-N 3.09Å; S395-F422 PolarHBondContact OG-N 3.4Å; S395-V423 PolarHBondContact O-N 2.91Å; S395-V423 VanDerWaalsContact O-N 3.15Å
396Y92.5Very high86.3Confident65 Ų6554.8 Ų54.826%0.25531%0.313SS..EExtended strand (participates in β ladder)trans-147153.4179.765.8-92.3000113.5Q386 L389 T390 Y394 V423 L425Q386-Y396 HydrophobicContact CG-CD2 4.49Å; Q386-Y396 HydrophobicContact CG-CE1 4.27Å; Q386-Y396 HydrophobicContact CG-CE2 3.53Å; Q386-Y396 WeakPolarHBondContact CG-OH 3.37Å; Q386-Y396 PolarHBondContact NE2-OH 2.86Å; L389-Y396 HydrophobicContact CB-CD1 3.73Å; L389-Y396 HydrophobicContact CB-CE1 4.12Å; L389-Y396 HydrophobicContact CD1-CD1 3.98Å; L389-Y396 HydrophobicContact CD1-CG 3.92Å; T390-Y396 PolarHBondContact OG1-OH 2.8Å; Y394-Y396 WeakPolarHBondContact O-CD1 3.31Å; Y396-V423 CarbonylContact C-O 3.59Å; Y396-V423 WeakPolarHBondContact CA-O 3.37Å; Y396-L425 HydrophobicContact CD2-CD1 4.2Å
397E92.4Very high85.7Confident56 Ų5656.7 Ų56.726%0.26232%0.324SS..EExtended strand (participates in β ladder)trans-113.4151.7167.2-77.6-71.9-178.400109.6T421 V423 F424 L425E397-T421 HydrophobicContact CB-CG2 4.37Å; E397-T421 HydrophobicContact CG-CG2 3.9Å; E397-V423 PolarHBondContact N-O 3.35Å; E397-F424 HydrophobicContact CB-CD1 3.94Å; E397-F424 HydrophobicContact CB-CE1 3.95Å; E397-F424 HydrophobicContact CB-CG 4.24Å; E397-F424 HydrophobicContact CB-CZ 4.29Å; E397-F424 WeakPolarHBondContact O-CD1 3.41Å; E397-L425 PolarHBondContact O-N 3.23Å
398R91.9Very high85.2Confident53 Ų5357.8 Ų57.820%0.233%0.327CS..EExtended strand (participates in β ladder)trans-131.3132.2-178.2178.3177.9169.6160.11.9112.2D383 Q386 D400 L425D383-R398 IonicContact OD1-CZ 2.71Å; D383-R398 IonicContact OD1-NH1 3.43Å; D383-R398 PolarHBondContact OD1-NH1 3.14Å; D383-R398 IonicContact OD1-NH2 3.82Å; D383-R398 PolarHBondContact OD1-NH2 2.84Å; Q386-R398 VanDerWaalsContact OE1-CD 3.28Å; R398-D400 IonicContact CZ-OD2 3.79Å; R398-D400 IonicContact NE-OD2 3.5Å; R398-D400 PolarHBondContact NE-OD2 2.75Å; R398-D400 IonicContact NH2-OD2 3.84Å; R398-D400 PolarHBondContact NH2-OD2 2.69Å; R398-L425 WeakPolarHBondContact CA-O 3.24Å; R398-L425 HydrophobicContact CB-CB 4.28Å; R398-L425 HydrophobicContact CG-CB 4.31Å
399L89.7Confident84.5Confident0 Ų063.4 Ų63.40%035%0.352CS..EExtended strand (participates in β ladder)trans-138110.2176.7-174.5173.7000110.7R408 V412 F424 L425 L426 S427 A430 L435L399-R408 HydrophobicContact CD1-CG 3.44Å; L399-R408 VanDerWaalsContact CD1-CG 3.44Å; L399-R408 HydrophobicContact CD2-CG 4.34Å; L399-R408 HydrophobicContact CG-CG 3.86Å; L399-V412 HydrophobicContact CD1-CG2 4.04Å; L399-F424 HydrophobicContact CB-CE1 3.54Å; L399-F424 HydrophobicContact CB-CZ 4.02Å; L399-F424 HydrophobicContact CD1-CE1 4.31Å; L399-F424 HydrophobicContact CD1-CZ 3.98Å; L399-L425 PolarHBondContact N-O 2.83Å; L399-L426 HydrophobicContact CB-CD2 3.78Å; L399-L426 HydrophobicContact CD1-CD2 3.99Å; L399-L426 HydrophobicContact CD2-CD2 4.13Å; L399-L426 HydrophobicContact CG-CD2 4.19Å; L399-S427 PolarHBondContact O-N 3.32Å; L399-S427 VanDerWaalsContact O-N 3.16Å; L399-A430 HydrophobicContact CD2-CB 3.5Å; L399-L435 HydrophobicContact CD1-CD1 3.45Å; L399-L435 VanDerWaalsContact CD1-CD1 3.45Å; L399-L435 HydrophobicContact CD2-CD1 4.41Å
400D87.6Confident84.1Confident9 Ų968.3 Ų68.35%0.04838%0.375CS..  trans-127.8-174.5173.167.631.7000111.7T379 R398 S402 V403T379-D400 HydrophobicContact CG2-CB 4.33Å; R398-D400 IonicContact CZ-OD2 3.79Å; R398-D400 IonicContact NE-OD2 3.5Å; R398-D400 PolarHBondContact NE-OD2 2.75Å; R398-D400 IonicContact NH2-OD2 3.84Å; R398-D400 PolarHBondContact NH2-OD2 2.69Å; D400-S402 PolarHBondContact O-N 3.43Å; D400-S402 WeakPolarHBondContact OD1-CB 3.22Å; D400-S402 PolarHBondContact OD1-N 3.42Å; D400-S402 PolarHBondContact OD1-OG 2.72Å; D400-V403 PolarHBondContact O-N 2.61Å
401G80.2Confident84Confident66 Ų6665.6 Ų65.668%0.6836%0.359SS*.THydrogen-bonded Turntrans-67.5-12.5-177.200000114.9
402S80Confident83.9Confident102 Ų10263.8 Ų63.871%0.71335%0.35SS*.THydrogen-bonded Turntrans-87.4-17.4-179.773.40000113.5D400D400-S402 PolarHBondContact O-N 3.43Å; D400-S402 WeakPolarHBondContact OD1-CB 3.22Å; D400-S402 PolarHBondContact OD1-N 3.42Å; D400-S402 PolarHBondContact OD1-OG 2.72Å
403V80.1Confident83.8Confident35 Ų3566.3 Ų66.321%0.21236%0.362CS..SBendtrans-74.8131.8-177.2-175.80000111.2D400 D407 R408D400-V403 PolarHBondContact O-N 2.61Å; V403-D407 HydrophobicContact CG1-CB 3.73Å; V403-R408 HydrophobicContact CG1-CB 4.45Å
404R75.6Confident84Confident196 Ų19665.3 Ų65.374%0.7435%0.347SS*.  trans-65.8154.8178.1-65.3-178.6170.6-176.90.3111E406 D407 R408R404-E406 VanDerWaalsContact C-N 3.33Å; R404-E406 PolarHBondContact O-N 3.27Å; R404-D407 PolarHBondContact O-N 3.5Å; R404-R408 WeakPolarHBondContact O-CB 3.37Å; R404-R408 PolarHBondContact O-N 2.81Å
405G70.8Confident84.1Confident56 Ų5663.9 Ų63.958%0.57734%0.341SS*.Hα-helixtrans-61.1-35.1-175.900000114.7R408 F409G405-R408 WeakPolarHBondContact O-CB 3.32Å; G405-F409 PolarHBondContact O-N 2.92Å
406E74.5Confident84Confident168 Ų16864.1 Ų64.179%0.78534%0.339SS*.Hα-helixtrans-69.3-49.6177.1-67.5172-175.200111.1R404 R408 F409 Q410R404-E406 VanDerWaalsContact C-N 3.33Å; R404-E406 PolarHBondContact O-N 3.27Å; E406-R408 PolarHBondContact O-N 3.28Å; E406-F409 WeakPolarHBondContact O-CB 3.41Å; E406-F409 PolarHBondContact O-N 3.08Å; E406-F409 VanDerWaalsContact O-N 3.07Å; E406-Q410 PolarHBondContact O-N 3.48Å
407D81.4Confident83.7Confident91 Ų9167.3 Ų67.349%0.48736%0.356SS..Hα-helixtrans-59.6-36.4176-56.6-26.8000111.4V403 R404 F409 Q410 A411V403-D407 HydrophobicContact CG1-CB 3.73Å; R404-D407 PolarHBondContact O-N 3.5Å; D407-F409 PolarHBondContact O-N 3.2Å; D407-Q410 PolarHBondContact O-N 3.27Å; D407-A411 WeakPolarHBondContact O-CB 3.36Å; D407-A411 PolarHBondContact O-N 3Å
408R80.6Confident83.2Confident39 Ų3967.3 Ų67.315%0.14736%0.358CS..Hα-helixtrans-59.4-46174.3-173-171.9-63.2-171.1-2.3112L399 V403 R404 G405 E406 Q410 V412L399-R408 HydrophobicContact CD1-CG 3.44Å; L399-R408 VanDerWaalsContact CD1-CG 3.44Å; L399-R408 HydrophobicContact CD2-CG 4.34Å; L399-R408 HydrophobicContact CG-CG 3.86Å; V403-R408 HydrophobicContact CG1-CB 4.45Å; R404-R408 WeakPolarHBondContact O-CB 3.37Å; R404-R408 PolarHBondContact O-N 2.81Å; G405-R408 WeakPolarHBondContact O-CB 3.32Å; E406-R408 PolarHBondContact O-N 3.28Å; R408-Q410 VanDerWaalsContact C-N 3.35Å; R408-V412 VanDerWaalsContact O-CG2 3.26Å; R408-V412 WeakPolarHBondContact O-CG2 3.44Å; R408-V412 PolarHBondContact O-N 3.23Å; R408-V412 VanDerWaalsContact O-N 3.14Å
409F79.2Confident82.5Confident119 Ų11970.5 Ų70.552%0.52238%0.375SS..Hα-helixtrans-66.1-42178.6-178.1-95.7000110.7G405 E406 D407 V412 K413G405-F409 PolarHBondContact O-N 2.92Å; E406-F409 WeakPolarHBondContact O-CB 3.41Å; E406-F409 PolarHBondContact O-N 3.08Å; E406-F409 VanDerWaalsContact O-N 3.07Å; D407-F409 PolarHBondContact O-N 3.2Å; F409-V412 PolarHBondContact O-N 3.26Å; F409-K413 HydrophobicContact CE1-CD 4.36Å; F409-K413 WeakPolarHBondContact O-CB 3.43Å; F409-K413 PolarHBondContact O-N 3.44Å
410Q84.3Confident82Confident102 Ų10277.4 Ų77.448%0.47741%0.407SS..Hα-helixtrans-62.3-45.8177.1-172.457.836.300111.7E406 D407 R408 V412 K413 S414E406-Q410 PolarHBondContact O-N 3.48Å; D407-Q410 PolarHBondContact O-N 3.27Å; R408-Q410 VanDerWaalsContact C-N 3.35Å; Q410-V412 VanDerWaalsContact C-N 3.35Å; Q410-V412 PolarHBondContact O-N 2.91Å; Q410-K413 PolarHBondContact O-N 2.97Å; Q410-S414 WeakPolarHBondContact O-CB 3.25Å; Q410-S414 PolarHBondContact O-N 2.76Å; Q410-S414 PolarHBondContact O-OG 3.25Å
411A86.7Confident82Confident8 Ų877.4 Ų77.47%0.06641%0.408CS..Hα-helixtrans-61-40.7177.300000112.6D407 F415 F424D407-A411 WeakPolarHBondContact O-CB 3.36Å; D407-A411 PolarHBondContact O-N 3Å; A411-F415 WeakPolarHBondContact O-CB 3.33Å; A411-F415 PolarHBondContact O-N 3.27Å; A411-F424 HydrophobicContact CB-CZ 4.15Å
412V86.1Confident82.5Confident17 Ų1774.2 Ų74.210%0.10338%0.375CS..Hα-helixtrans-67.3-38.2176172.80000111.7L399 R408 F409 Q410 N416 F424 L435 L437L399-V412 HydrophobicContact CD1-CG2 4.04Å; R408-V412 VanDerWaalsContact O-CG2 3.26Å; R408-V412 WeakPolarHBondContact O-CG2 3.44Å; R408-V412 PolarHBondContact O-N 3.23Å; R408-V412 VanDerWaalsContact O-N 3.14Å; F409-V412 PolarHBondContact O-N 3.26Å; Q410-V412 VanDerWaalsContact C-N 3.35Å; Q410-V412 PolarHBondContact O-N 2.91Å; V412-N416 PolarHBondContact O-N 2.73Å; V412-N416 PolarHBondContact O-ND2 2.97Å; V412-F424 HydrophobicContact CG2-CE2 4.27Å; V412-F424 HydrophobicContact CG2-CZ 4.3Å; V412-L435 HydrophobicContact CG2-CD1 4.13Å; V412-L435 HydrophobicContact CG2-CD2 4.06Å; V412-L435 HydrophobicContact CG2-CG 4.5Å; V412-L437 HydrophobicContact CG1-CD2 4.14Å; V412-L437 HydrophobicContact CG2-CD2 4.39Å
413K86.1Confident83.2Confident84 Ų8469.4 Ų69.437%0.36534%0.341SS..Hα-helixtrans-66.8-49.3175.6-173.1-180176.6-172.30110.7F409 Q410 F415 N416 E417F409-K413 HydrophobicContact CE1-CD 4.36Å; F409-K413 WeakPolarHBondContact O-CB 3.43Å; F409-K413 PolarHBondContact O-N 3.44Å; Q410-K413 PolarHBondContact O-N 2.97Å; K413-F415 PolarHBondContact O-N 2.81Å; K413-N416 PolarHBondContact O-N 2.77Å; K413-N416 VanDerWaalsContact O-N 3.15Å; K413-E417 WeakPolarHBondContact CE-OE1 3.19Å; K413-E417 VanDerWaalsContact CE-OE2 3.22Å; K413-E417 WeakPolarHBondContact CE-OE2 3.44Å; K413-E417 HydrophobicContact CG-CG 4.26Å; K413-E417 WeakPolarHBondContact CG-OE1 3.12Å; K413-E417 IonicContact NZ-OE1 3.93Å; K413-E417 WeakPolarHBondContact O-CB 3.3Å; K413-E417 WeakPolarHBondContact O-CG 3.25Å; K413-E417 PolarHBondContact O-N 2.93Å
414S87.4Confident83.8Confident29 Ų2967.7 Ų67.720%0.20333%0.331CS..Hα-helixtrans-52.2-51.8174.3-62.80000110.7Q410 N416 E417 D418Q410-S414 WeakPolarHBondContact O-CB 3.25Å; Q410-S414 PolarHBondContact O-N 2.76Å; Q410-S414 PolarHBondContact O-OG 3.25Å; S414-N416 VanDerWaalsContact C-N 3.3Å; S414-N416 PolarHBondContact O-N 3.26Å; S414-E417 PolarHBondContact O-N 3.37Å; S414-D418 WeakPolarHBondContact O-CA 3.4Å; S414-D418 WeakPolarHBondContact O-CB 3.36Å; S414-D418 PolarHBondContact O-N 3.36Å
415F89.3Confident84.7Confident0 Ų058.4 Ų58.40%030%0.296CS..Hα-helixtrans-62.9-31.1-179.3-176.7-100.9000114.9K371 L373 A411 K413 T421 F424 L437 S439 A440K371-F415 HydrophobicContact CB-CZ 4.17Å; K371-F415 HydrophobicContact CD-CE2 4.47Å; K371-F415 HydrophobicContact CD-CZ 4.26Å; K371-F415 PolarHBondContact NZ-O 2.84Å; L373-F415 HydrophobicContact CD2-CE1 3.71Å; L373-F415 HydrophobicContact CD2-CZ 3.67Å; A411-F415 WeakPolarHBondContact O-CB 3.33Å; A411-F415 PolarHBondContact O-N 3.27Å; K413-F415 PolarHBondContact O-N 2.81Å; F415-T421 HydrophobicContact CD2-CG2 3.69Å; F415-T421 HydrophobicContact CE2-CG2 4.23Å; F415-F424 HydrophobicContact CB-CD2 3.66Å; F415-F424 HydrophobicContact CB-CE2 3.72Å; F415-F424 AromaticContact CD1-CD2 3.66Å; F415-F424 HydrophobicContact CD1-CD2 3.66Å; F415-F424 HydrophobicContact CD1-CE2 4.32Å; F415-F424 HydrophobicContact CD2-CB 3.89Å; F415-F424 AromaticContact CD2-CD2 3.7Å; F415-F424 HydrophobicContact CD2-CD2 3.7Å; F415-F424 HydrophobicContact CD2-CG 4.15Å; F415-F424 HydrophobicContact CE1-CD2 4.2Å; F415-F424 HydrophobicContact CE2-CB 3.74Å; F415-F424 HydrophobicContact CE2-CD2 4.26Å; F415-F424 HydrophobicContact CE2-CG 4.46Å; F415-F424 HydrophobicContact CG-CB 4.39Å; F415-F424 AromaticContact CG-CD2 3.37Å; F415-F424 HydrophobicContact CG-CD2 3.37Å; F415-F424 AromaticContact CG-CE2 3.97Å; F415-F424 HydrophobicContact CG-CE2 3.97Å; F415-F424 HydrophobicContact CG-CG 4.26Å; F415-F424 HydrophobicContact CZ-CB 4.08Å; F415-F424 HydrophobicContact CZ-CD2 4.48Å; F415-L437 HydrophobicContact CD1-CD2 3.96Å; F415-L437 HydrophobicContact CE1-CD2 4.47Å; F415-S439 WeakPolarHBondContact CD1-OG 3.06Å; F415-S439 WeakPolarHBondContact CE1-OG 3.24Å; F415-S439 PolarHBondContact O-OG 3.17Å; F415-A440 HydrophobicContact CE1-CB 3.97Å; F415-A440 HydrophobicContact CZ-CB 4.02Å
416N87.3Confident85.8Confident52 Ų5255.7 Ų55.728%0.27827%0.268SS..Hα-helixtrans-81.7-34.1178.1-76.5-52.7000112.6V412 K413 S414 N436 S439V412-N416 PolarHBondContact O-N 2.73Å; V412-N416 PolarHBondContact O-ND2 2.97Å; K413-N416 PolarHBondContact O-N 2.77Å; K413-N416 VanDerWaalsContact O-N 3.15Å; S414-N416 VanDerWaalsContact C-N 3.3Å; S414-N416 PolarHBondContact O-N 3.26Å; N416-N436 PolarHBondContact ND2-O 3.02Å; N416-S439 PolarHBondContact OD1-OG 3.27Å
417E87.3Confident86.7Confident131 Ų13148.2 Ų48.261%0.61224%0.235SC*.Hα-helixtrans-89.9-44.1-177.2-69179.117300113K413 S414K413-E417 WeakPolarHBondContact CE-OE1 3.19Å; K413-E417 VanDerWaalsContact CE-OE2 3.22Å; K413-E417 WeakPolarHBondContact CE-OE2 3.44Å; K413-E417 HydrophobicContact CG-CG 4.26Å; K413-E417 WeakPolarHBondContact CG-OE1 3.12Å; K413-E417 IonicContact NZ-OE1 3.93Å; K413-E417 WeakPolarHBondContact O-CB 3.3Å; K413-E417 WeakPolarHBondContact O-CG 3.25Å; K413-E417 PolarHBondContact O-N 2.93Å; S414-E417 PolarHBondContact O-N 3.37Å
418D81.5Confident86.9Confident57 Ų5743.9 Ų43.931%0.30521%0.212SC..  trans-74.5131-178.1177.430.5000110.8K371 S414 E420 T421K371-D418 PolarHBondContact NZ-O 2.88Å; S414-D418 WeakPolarHBondContact O-CA 3.4Å; S414-D418 WeakPolarHBondContact O-CB 3.36Å; S414-D418 PolarHBondContact O-N 3.36Å; D418-E420 WeakPolarHBondContact OD1-CB 3.31Å; D418-E420 PolarHBondContact OD1-N 3.49Å; D418-T421 PolarHBondContact OD2-N 3.03Å; D418-T421 PolarHBondContact OD2-OG1 2.8Å
419Q76.7Confident87Confident119 Ų11950.7 Ų50.756%0.55624%0.237SC*.SBendtrans-88.3-15.5176.2-67.3-173.8-10.100112.8
420E80.5Confident87Confident145 Ų14545.1 Ų45.168%0.67821%0.213SC*.SBendtrans-80.5-30.1-175.8-61.1-171.9168.400112.4S395 D418 F422S395-E420 PolarHBondContact OG-O 3.42Å; D418-E420 WeakPolarHBondContact OD1-CB 3.31Å; D418-E420 PolarHBondContact OD1-N 3.49Å; E420-F422 PolarHBondContact O-N 2.94Å
421T86.4Confident86.3Confident9 Ų940.2 Ų40.26%0.05519%0.19CC..  trans-65.4114.1177.9-55.60000111.9K371 S395 E397 F415 D418K371-T421 WeakPolarHBondContact CE-O 3.47Å; S395-T421 WeakPolarHBondContact OG-CA 3.35Å; E397-T421 HydrophobicContact CB-CG2 4.37Å; E397-T421 HydrophobicContact CG-CG2 3.9Å; F415-T421 HydrophobicContact CD2-CG2 3.69Å; F415-T421 HydrophobicContact CE2-CG2 4.23Å; D418-T421 PolarHBondContact OD2-N 3.03Å; D418-T421 PolarHBondContact OD2-OG1 2.8Å
422F91.1Very high85.4Confident0 Ų040.1 Ų40.10%019%0.19CC..  trans-86.5-48.5-178.8176-136.8000112.6L346 L349 Y350 P368 H370 V372 Y394 S395 E420L346-F422 HydrophobicContact CB-CE1 4.33Å; L346-F422 HydrophobicContact CD2-CE1 3.94Å; L346-F422 HydrophobicContact CD2-CZ 4Å; L349-F422 HydrophobicContact CB-CE2 4.3Å; L349-F422 HydrophobicContact CB-CZ 4.02Å; Y350-F422 AromaticContact CD2-CD1 3.78Å; Y350-F422 HydrophobicContact CD2-CD1 3.78Å; Y350-F422 HydrophobicContact CD2-CD2 4.25Å; Y350-F422 AromaticContact CD2-CE1 3.89Å; Y350-F422 HydrophobicContact CD2-CE1 3.89Å; Y350-F422 HydrophobicContact CD2-CE2 4.32Å; Y350-F422 AromaticContact CD2-CG 3.99Å; Y350-F422 HydrophobicContact CD2-CG 3.99Å; Y350-F422 HydrophobicContact CD2-CZ 4.16Å; Y350-F422 HydrophobicContact CE2-CD1 4.42Å; Y350-F422 HydrophobicContact CE2-CG 4.43Å; P368-F422 HydrophobicContact CB-CB 4.09Å; P368-F422 HydrophobicContact CB-CD2 3.45Å; P368-F422 VanDerWaalsContact CB-CD2 3.45Å; P368-F422 HydrophobicContact CB-CE2 4.15Å; P368-F422 HydrophobicContact CB-CG 4.01Å; P368-F422 HydrophobicContact CG-CB 4.12Å; P368-F422 HydrophobicContact CG-CD2 4.26Å; H370-F422 WeakPolarHBondContact O-CD2 3.49Å; H370-F422 WeakPolarHBondContact O-CE2 3.28Å; V372-F422 HydrophobicContact CG2-CD2 4.36Å; V372-F422 HydrophobicContact CG2-CE2 3.69Å; V372-F422 HydrophobicContact CG2-CZ 3.98Å; V372-F422 PolarHBondContact N-O 2.69Å; Y394-F422 AromaticContact CD1-CD1 3.92Å; Y394-F422 HydrophobicContact CD1-CD1 3.92Å; Y394-F422 HydrophobicContact CD1-CE1 4.21Å; Y394-F422 HydrophobicContact CE1-CD1 4.49Å; Y394-F422 HydrophobicContact CE1-CE1 4.36Å; Y394-F422 HydrophobicContact CG-CD1 4.01Å; Y394-F422 HydrophobicContact CG-CE1 4.32Å; S395-F422 PolarHBondContact O-N 3.09Å; S395-F422 PolarHBondContact OG-N 3.4Å; E420-F422 PolarHBondContact O-N 2.94Å
423V93.7Very high84.4Confident0 Ų043 Ų430%020%0.202CC..EExtended strand (participates in β ladder)trans-116.4138.9-171.9179.60000112.1L346 V372 I374 L389 S395 Y396 E397 L425L346-V423 HydrophobicContact CD2-CG2 4.32Å; V372-V423 CarbonylContact O-C 3.57Å; V372-V423 WeakPolarHBondContact O-CA 3.45Å; I374-V423 HydrophobicContact CB-CG1 4.48Å; I374-V423 HydrophobicContact CD1-CG1 3.57Å; I374-V423 HydrophobicContact CG1-CG1 3.84Å; L389-V423 HydrophobicContact CD1-CB 4.16Å; L389-V423 HydrophobicContact CD1-CG1 3.89Å; L389-V423 HydrophobicContact CD1-CG2 4.5Å; L389-V423 HydrophobicContact CD2-CG2 4.15Å; S395-V423 PolarHBondContact O-N 2.91Å; S395-V423 VanDerWaalsContact O-N 3.15Å; Y396-V423 CarbonylContact C-O 3.59Å; Y396-V423 WeakPolarHBondContact CA-O 3.37Å; E397-V423 PolarHBondContact N-O 3.35Å; V423-L425 HydrophobicContact CG1-CD2 3.87Å; V423-L425 HydrophobicContact CG1-CG 4.35Å
424F94.1Very high83.4Confident0 Ų039.7 Ų39.70%019%0.192CC..EExtended strand (participates in β ladder)trans-114.9111.7165-153.8-25.7000110.1V372 L373 I374 E397 L399 A411 V412 F415 L426 L437V372-F424 PolarHBondContact O-N 2.87Å; L373-F424 HydrophobicContact CD2-CB 3.58Å; L373-F424 HydrophobicContact CD2-CD2 4.38Å; L373-F424 HydrophobicContact CD2-CG 4.34Å; I374-F424 PolarHBondContact N-O 3.48Å; E397-F424 HydrophobicContact CB-CD1 3.94Å; E397-F424 HydrophobicContact CB-CE1 3.95Å; E397-F424 HydrophobicContact CB-CG 4.24Å; E397-F424 HydrophobicContact CB-CZ 4.29Å; E397-F424 WeakPolarHBondContact O-CD1 3.41Å; L399-F424 HydrophobicContact CB-CE1 3.54Å; L399-F424 HydrophobicContact CB-CZ 4.02Å; L399-F424 HydrophobicContact CD1-CE1 4.31Å; L399-F424 HydrophobicContact CD1-CZ 3.98Å; A411-F424 HydrophobicContact CB-CZ 4.15Å; V412-F424 HydrophobicContact CG2-CE2 4.27Å; V412-F424 HydrophobicContact CG2-CZ 4.3Å; F415-F424 HydrophobicContact CB-CD2 3.66Å; F415-F424 HydrophobicContact CB-CE2 3.72Å; F415-F424 AromaticContact CD1-CD2 3.66Å; F415-F424 HydrophobicContact CD1-CD2 3.66Å; F415-F424 HydrophobicContact CD1-CE2 4.32Å; F415-F424 HydrophobicContact CD2-CB 3.89Å; F415-F424 AromaticContact CD2-CD2 3.7Å; F415-F424 HydrophobicContact CD2-CD2 3.7Å; F415-F424 HydrophobicContact CD2-CG 4.15Å; F415-F424 HydrophobicContact CE1-CD2 4.2Å; F415-F424 HydrophobicContact CE2-CB 3.74Å; F415-F424 HydrophobicContact CE2-CD2 4.26Å; F415-F424 HydrophobicContact CE2-CG 4.46Å; F415-F424 HydrophobicContact CG-CB 4.39Å; F415-F424 AromaticContact CG-CD2 3.37Å; F415-F424 HydrophobicContact CG-CD2 3.37Å; F415-F424 AromaticContact CG-CE2 3.97Å; F415-F424 HydrophobicContact CG-CE2 3.97Å; F415-F424 HydrophobicContact CG-CG 4.26Å; F415-F424 HydrophobicContact CZ-CB 4.08Å; F415-F424 HydrophobicContact CZ-CD2 4.48Å; F424-L426 HydrophobicContact CB-CD1 4.47Å; F424-L426 HydrophobicContact CD1-CD1 4.37Å; F424-L426 HydrophobicContact CD1-CD2 4.08Å; F424-L426 HydrophobicContact CD1-CG 3.87Å; F424-L426 HydrophobicContact CE1-CD2 3.95Å; F424-L426 HydrophobicContact CE1-CG 4.26Å; F424-L426 HydrophobicContact CG-CD1 4.25Å; F424-L426 HydrophobicContact CG-CG 4.25Å; F424-L426 HydrophobicContact CZ-CD2 4.37Å; F424-L437 HydrophobicContact CD2-CD2 3.84Å; F424-L437 HydrophobicContact CE2-CD2 3.71Å
425L94.7Very high83Confident0 Ų039.1 Ų39.10%019%0.187CC..EExtended strand (participates in β ladder)trans-78.8117.9172.5-61-175.8000110.6I374 L382 I385 Q386 L389 Y396 E397 R398 L399 V423I374-L425 HydrophobicContact CB-CD2 3.97Å; I374-L425 HydrophobicContact CD1-CD2 4.24Å; I374-L425 HydrophobicContact CG2-CD2 4.33Å; L382-L425 HydrophobicContact CD2-CB 4.29Å; L382-L425 HydrophobicContact CD2-CD2 4.45Å; I385-L425 HydrophobicContact CG2-CD2 3.73Å; Q386-L425 HydrophobicContact CB-CD1 4.05Å; L389-L425 HydrophobicContact CD1-CD1 4.07Å; L389-L425 HydrophobicContact CD1-CD2 3.92Å; L389-L425 HydrophobicContact CD1-CG 4.12Å; Y396-L425 HydrophobicContact CD2-CD1 4.2Å; E397-L425 PolarHBondContact O-N 3.23Å; R398-L425 WeakPolarHBondContact CA-O 3.24Å; R398-L425 HydrophobicContact CB-CB 4.28Å; R398-L425 HydrophobicContact CG-CB 4.31Å; L399-L425 PolarHBondContact N-O 2.83Å; V423-L425 HydrophobicContact CG1-CD2 3.87Å; V423-L425 HydrophobicContact CG1-CG 4.35Å
426L93.5Very high82.7Confident0 Ų042 Ų420%020%0.202CC..EExtended strand (participates in β ladder)trans-127.6132.6-177.2-71.3156.9000110L373 I374 F375 S376 L399 F424 L435 L437L373-L426 HydrophobicContact CB-CD1 4.36Å; L373-L426 HydrophobicContact CD1-CD1 4.48Å; L373-L426 HydrophobicContact CD2-CD1 4.14Å; I374-L426 PolarHBondContact O-N 3.14Å; F375-L426 WeakPolarHBondContact CA-O 3.42Å; F375-L426 HydrophobicContact CD1-CB 3.52Å; F375-L426 HydrophobicContact CD1-CD1 4.45Å; F375-L426 HydrophobicContact CE1-CB 3.37Å; F375-L426 HydrophobicContact CE1-CD1 3.6Å; F375-L426 HydrophobicContact CE1-CG 4.06Å; F375-L426 HydrophobicContact CE2-CD1 4.46Å; F375-L426 HydrophobicContact CG-CB 4.47Å; F375-L426 HydrophobicContact CZ-CB 4.23Å; F375-L426 HydrophobicContact CZ-CD1 3.61Å; S376-L426 PolarHBondContact N-O 3.35Å; L399-L426 HydrophobicContact CB-CD2 3.78Å; L399-L426 HydrophobicContact CD1-CD2 3.99Å; L399-L426 HydrophobicContact CD2-CD2 4.13Å; L399-L426 HydrophobicContact CG-CD2 4.19Å; F424-L426 HydrophobicContact CB-CD1 4.47Å; F424-L426 HydrophobicContact CD1-CD1 4.37Å; F424-L426 HydrophobicContact CD1-CD2 4.08Å; F424-L426 HydrophobicContact CD1-CG 3.87Å; F424-L426 HydrophobicContact CE1-CD2 3.95Å; F424-L426 HydrophobicContact CE1-CG 4.26Å; F424-L426 HydrophobicContact CG-CD1 4.25Å; F424-L426 HydrophobicContact CG-CG 4.25Å; F424-L426 HydrophobicContact CZ-CD2 4.37Å; L426-L435 HydrophobicContact CD2-CD1 4.16Å; L426-L437 HydrophobicContact CD1-CD1 3.55Å
427S92Very high82.7Confident11 Ų1139.5 Ų39.58%0.07719%0.189CC..EExtended strand (participates in β ladder)trans-72.8135.9161.775.60000108.9S376 L399 R429 A430 G431S376-S427 VanDerWaalsContact O-CA 3.28Å; S376-S427 WeakPolarHBondContact O-CA 3.41Å; L399-S427 PolarHBondContact O-N 3.32Å; L399-S427 VanDerWaalsContact O-N 3.16Å; S427-R429 PolarHBondContact O-N 3.01Å; S427-R429 VanDerWaalsContact O-N 3.1Å; S427-A430 PolarHBondContact O-N 2.89Å; S427-A430 WeakPolarHBondContact OG-CB 3.22Å; S427-A430 PolarHBondContact OG-N 2.9Å; S427-G431 PolarHBondContact O-N 3.21Å
428T86.9Confident82.6Confident0 Ų034.8 Ų34.80%017%0.169CC..Hα-helixtrans-55-37.6-175.2-42.70000111.7S376 Q377 G432 F445 I454 D455 A458S376-T428 PolarHBondContact O-N 3.44Å; S376-T428 PolarHBondContact O-OG1 3.41Å; Q377-T428 PolarHBondContact NE2-OG1 2.92Å; T428-G432 PolarHBondContact O-N 3.1Å; T428-F445 HydrophobicContact CG2-CE1 4.34Å; T428-I454 HydrophobicContact CG2-CG2 3.75Å; T428-D455 WeakPolarHBondContact CG2-OD1 3.26Å; T428-A458 HydrophobicContact CG2-CB 4.13Å
429R81.5Confident82.9Confident181 Ų18133.4 Ų33.468%0.68316%0.164SC*.Hα-helixtrans-70.8-33.9176.4-65.9-174.1179.7-170.6-0.8114.3S427 Q433S427-R429 PolarHBondContact O-N 3.01Å; S427-R429 VanDerWaalsContact O-N 3.1Å; R429-Q433 VanDerWaalsContact O-CG 3.32Å; R429-Q433 WeakPolarHBondContact O-CG 2.78Å; R429-Q433 PolarHBondContact O-NE2 3.34Å
430A78.9Confident83.6Confident2 Ų227.7 Ų27.72%0.01714%0.137CC..Hα-helixtrans-80.1-39.1177.700000111.6L399 S427 G432 Q433L399-A430 HydrophobicContact CD2-CB 3.5Å; S427-A430 PolarHBondContact O-N 2.89Å; S427-A430 WeakPolarHBondContact OG-CB 3.22Å; S427-A430 PolarHBondContact OG-N 2.9Å; A430-G432 VanDerWaalsContact C-N 3.32Å; A430-G432 PolarHBondContact O-N 2.99Å; A430-Q433 WeakPolarHBondContact O-CB 3.46Å; A430-Q433 WeakPolarHBondContact O-CG 3.44Å; A430-Q433 PolarHBondContact O-N 2.82Å
431G71.4Confident84.2Confident0 Ų020.8 Ų20.80%011%0.105CC..Hα-helixtrans-69.1-27.5175.200000113.7S427 Q433S427-G431 PolarHBondContact O-N 3.21Å; G431-Q433 PolarHBondContact O-N 3.35Å; G431-Q433 VanDerWaalsContact O-N 3.12Å
432G66.1Low84.4Confident6 Ų620.5 Ų20.56%0.06210%0.103CC..THydrogen-bonded Turntrans-62.7-12.5172.900000114.8T428 A430 G434 Q457 R461T428-G432 PolarHBondContact O-N 3.1Å; A430-G432 VanDerWaalsContact C-N 3.32Å; A430-G432 PolarHBondContact O-N 2.99Å; G432-G434 VanDerWaalsContact C-N 3.33Å; G432-G434 PolarHBondContact O-N 3.43Å; G432-G434 VanDerWaalsContact O-N 3.17Å; G432-Q457 VanDerWaalsContact O-CD 3.25Å; G432-Q457 PolarHBondContact O-NE2 3.42Å; G432-Q457 PolarHBondContact O-OE1 3.19Å; G432-R461 PolarHBondContact O-NH2 2.94Å
433Q66.1Low84.5Confident76 Ų7620.5 Ų20.536%0.35510%0.103SC..THydrogen-bonded Turntrans-81.813.8-167.5-61.2-171.8900116.8S91 R429 A430 G431S91-Q433 WeakPolarHBondContact CB-O 3.05Å; S91-Q433 PolarHBondContact OG-O 3.43Å; R429-Q433 VanDerWaalsContact O-CG 3.32Å; R429-Q433 WeakPolarHBondContact O-CG 2.78Å; R429-Q433 PolarHBondContact O-NE2 3.34Å; A430-Q433 WeakPolarHBondContact O-CB 3.46Å; A430-Q433 WeakPolarHBondContact O-CG 3.44Å; A430-Q433 PolarHBondContact O-N 2.82Å; G431-Q433 PolarHBondContact O-N 3.35Å; G431-Q433 VanDerWaalsContact O-N 3.12Å
434G64.9Low84.6Confident15 Ų1520.5 Ų20.516%0.15510%0.103CC..THydrogen-bonded Turntrans110.213.1174.200000116.5G432 R461G432-G434 VanDerWaalsContact C-N 3.33Å; G432-G434 PolarHBondContact O-N 3.43Å; G432-G434 VanDerWaalsContact O-N 3.17Å; G434-R461 VanDerWaalsContact CA-CZ 3.45Å; G434-R461 VanDerWaalsContact CA-NH1 3.35Å
435L78.3Confident84.6Confident18 Ų1820.5 Ų20.59%0.09410%0.103CC..  trans-68154.4-176.9-53.8179.8000112.7L399 V412 L426 L437 R461L399-L435 HydrophobicContact CD1-CD1 3.45Å; L399-L435 VanDerWaalsContact CD1-CD1 3.45Å; L399-L435 HydrophobicContact CD2-CD1 4.41Å; V412-L435 HydrophobicContact CG2-CD1 4.13Å; V412-L435 HydrophobicContact CG2-CD2 4.06Å; V412-L435 HydrophobicContact CG2-CG 4.5Å; L426-L435 HydrophobicContact CD2-CD1 4.16Å; L435-L437 HydrophobicContact CB-CD1 4.38Å; L435-L437 HydrophobicContact CB-CG 4.24Å; L435-R461 WeakPolarHBondContact O-CD 3.4Å
436N83.9Confident84.6Confident59 Ų5920.6 Ų20.632%0.31610%0.103SC..  trans-110105.7173-170.318.6000109.4N416 V438 R464N416-N436 PolarHBondContact ND2-O 3.02Å; N436-V438 VanDerWaalsContact OD1-CG1 3.28Å; N436-V438 WeakPolarHBondContact OD1-CG1 3.13Å; N436-R464 VanDerWaalsContact OD1-CD 3.24Å; N436-R464 WeakPolarHBondContact OD1-CD 3.35Å; N436-R464 PolarHBondContact OD1-NE 2.98Å; N436-R464 VanDerWaalsContact OD1-NE 3.16Å; N436-R464 PolarHBondContact OD1-NH1 3.19Å
437L86.2Confident84.5Confident0 Ų020.6 Ų20.60%010%0.103CC..  trans-124.347.1-173.6-62.2172.7000110.7L373 V412 F415 F424 L426 L435 S439 A440 R461L373-L437 HydrophobicContact CD1-CB 3.94Å; L373-L437 HydrophobicContact CD1-CD1 3.82Å; L373-L437 HydrophobicContact CD2-CB 4.44Å; L373-L437 HydrophobicContact CD2-CD1 4.08Å; V412-L437 HydrophobicContact CG1-CD2 4.14Å; V412-L437 HydrophobicContact CG2-CD2 4.39Å; F415-L437 HydrophobicContact CD1-CD2 3.96Å; F415-L437 HydrophobicContact CE1-CD2 4.47Å; F424-L437 HydrophobicContact CD2-CD2 3.84Å; F424-L437 HydrophobicContact CE2-CD2 3.71Å; L426-L437 HydrophobicContact CD1-CD1 3.55Å; L435-L437 HydrophobicContact CB-CD1 4.38Å; L435-L437 HydrophobicContact CB-CG 4.24Å; L437-S439 PolarHBondContact O-N 3.19Å; L437-A440 PolarHBondContact O-N 3.35Å; L437-R461 HydrophobicContact CD1-CB 4.48Å; L437-R461 PolarHBondContact N-O 2.83Å
438V86.6Confident84.4Confident33 Ų3320.5 Ų20.520%0.210%0.103CC..THydrogen-bonded Turntrans-68.6-14.4-176.8-73.30000113.8N436 A440 R464 Q467N436-V438 VanDerWaalsContact OD1-CG1 3.28Å; N436-V438 WeakPolarHBondContact OD1-CG1 3.13Å; V438-A440 VanDerWaalsContact C-N 3.26Å; V438-A440 PolarHBondContact O-N 3.35Å; V438-R464 HydrophobicContact CG1-CG 3.52Å; V438-Q467 PolarHBondContact O-NE2 3.47Å
439S88Confident84.4Confident27 Ų2721.1 Ų21.119%0.18911%0.106CC..THydrogen-bonded Turntrans-70.8-20.7175.5610000113.3F415 N416 L437F415-S439 WeakPolarHBondContact CD1-OG 3.06Å; F415-S439 WeakPolarHBondContact CE1-OG 3.24Å; F415-S439 PolarHBondContact O-OG 3.17Å; N416-S439 PolarHBondContact OD1-OG 3.27Å; L437-S439 PolarHBondContact O-N 3.19Å
440A91.5Very high84.3Confident0 Ų016 Ų160%09%0.089CC..  trans-85.1140.1177.600000112.2K371 L373 F415 L437 V438 A462 Q467K371-A440 HydrophobicContact CB-CB 4.48Å; L373-A440 HydrophobicContact CD1-CB 3.91Å; L373-A440 HydrophobicContact CD2-CB 3.73Å; L373-A440 HydrophobicContact CG-CB 3.49Å; L373-A440 VanDerWaalsContact CG-CB 3.49Å; F415-A440 HydrophobicContact CE1-CB 3.97Å; F415-A440 HydrophobicContact CZ-CB 4.02Å; L437-A440 PolarHBondContact O-N 3.35Å; V438-A440 VanDerWaalsContact C-N 3.26Å; V438-A440 PolarHBondContact O-N 3.35Å; A440-A462 HydrophobicContact CB-CB 4.47Å; A440-Q467 PolarHBondContact O-NE2 3.36Å
441D91.4Very high84.1Confident0 Ų018.1 Ų18.10%010%0.1CC..  trans-112.1-15.9174.852.811.8000112.8H370 K371 K469 V471 R472H370-D441 WeakPolarHBondContact CB-OD1 3.42Å; H370-D441 IonicContact CE1-OD2 3.28Å; H370-D441 IonicContact CG-OD1 3.39Å; H370-D441 IonicContact CG-OD2 3.55Å; H370-D441 IonicContact ND1-OD1 3Å; H370-D441 IonicContact ND1-OD2 3.11Å; H370-D441 PolarHBondContact ND1-OD2 3.05Å; K371-D441 PolarHBondContact N-OD1 3.01Å; K371-D441 PolarHBondContact O-N 3.34Å; D441-K469 HydrophobicContact CB-CB 3.95Å; D441-K469 HydrophobicContact CB-CD 3.93Å; D441-K469 WeakPolarHBondContact OD2-CD 3.09Å; D441-K469 IonicContact OD2-NZ 3.55Å; D441-K469 PolarHBondContact OD2-NZ 2.83Å; D441-V471 CarbonylContact O-C 3.51Å; D441-V471 VanDerWaalsContact O-CA 3.22Å; D441-V471 WeakPolarHBondContact O-CA 3.42Å; D441-R472 PolarHBondContact O-N 2.7Å
442T91.6Very high84.6Confident2 Ų218.6 Ų18.61%0.01210%0.103CC..EExtended strand (participates in β ladder)trans-124.4132.1-179.1-49.80000110.7L349 K371 V372 L373 I444 R472L349-T442 HydrophobicContact CD1-CG2 3.79Å; L349-T442 HydrophobicContact CD2-CG2 4.34Å; K371-T442 PolarHBondContact O-N 3.14Å; V372-T442 CarbonylContact C-O 3.56Å; V372-T442 WeakPolarHBondContact CA-O 3.42Å; L373-T442 PolarHBondContact N-O 3.43Å; T442-I444 HydrophobicContact CG2-CG1 4.4Å; T442-R472 CarbonylContact C-O 3.37Å; T442-R472 WeakPolarHBondContact CA-O 3.27Å; T442-R472 HydrophobicContact CG2-CB 4.42Å
443V94.1Very high85.1Confident0 Ų019.7 Ų19.70%011%0.107CC..EExtended strand (participates in β ladder)trans-123125.4178.2179.10000108.8L373 F375 F445 A462 R472 I473 V474L373-V443 HydrophobicContact CB-CG2 4.34Å; L373-V443 HydrophobicContact CD1-CG2 4.2Å; L373-V443 CarbonylContact O-C 3.54Å; L373-V443 WeakPolarHBondContact O-CA 3.38Å; F375-V443 HydrophobicContact CD2-CG1 3.61Å; F375-V443 HydrophobicContact CE2-CG1 3.58Å; V443-F445 HydrophobicContact CG1-CD2 4.31Å; V443-F445 HydrophobicContact CG1-CE2 3.76Å; V443-F445 HydrophobicContact CG1-CZ 4.13Å; V443-A462 HydrophobicContact CG2-CB 3.95Å; V443-R472 PolarHBondContact N-O 2.92Å; V443-I473 HydrophobicContact CB-CG1 4.12Å; V443-I473 CarbonylContact O-C 3.49Å; V443-I473 WeakPolarHBondContact O-CA 3.41Å; V443-V474 PolarHBondContact O-N 3.09Å
444I94.8Very high85.9Confident0 Ų017.9 Ų17.90%010%0.099CC..EExtended strand (participates in β ladder)trans-116.9124.3179.6-55.2170.9000109L342 L345 L346 L349 V372 L373 I374 F375 T442 V474 L476L342-I444 HydrophobicContact CD1-CD1 3.92Å; L342-I444 HydrophobicContact CD1-CG2 4.17Å; L345-I444 HydrophobicContact CD2-CD1 3.29Å; L345-I444 HydrophobicContact CD2-CG1 4.21Å; L346-I444 HydrophobicContact CD2-CD1 4.34Å; L349-I444 HydrophobicContact CD1-CD1 4.33Å; V372-I444 HydrophobicContact CG1-CD1 3.42Å; V372-I444 VanDerWaalsContact CG1-CD1 3.42Å; V372-I444 HydrophobicContact CG1-CG1 3.85Å; L373-I444 PolarHBondContact O-N 3.41Å; I374-I444 WeakPolarHBondContact CA-O 3.26Å; I374-I444 HydrophobicContact CG1-CB 4.46Å; I374-I444 HydrophobicContact CG1-CD1 4.4Å; F375-I444 PolarHBondContact N-O 3.26Å; T442-I444 HydrophobicContact CG2-CG1 4.4Å; I444-V474 CarbonylContact C-O 3.59Å; I444-V474 VanDerWaalsContact CA-O 3.31Å; I444-V474 WeakPolarHBondContact CA-O 3.21Å; I444-V474 HydrophobicContact CG1-CB 4.33Å; I444-L476 HydrophobicContact CG2-CD1 4.21Å; I444-L476 HydrophobicContact CG2-CG 4.22Å
445F94.4Very high86.9Confident0 Ų017.2 Ų17.20%09%0.092CC..EExtended strand (participates in β ladder)trans-97.4111.5167.1-67.9-83.8000109F375 T428 V443 D455 A458 A459 I473 V474 R475 L476F375-F445 HydrophobicContact CB-CD1 3.63Å; F375-F445 HydrophobicContact CB-CE1 3.77Å; F375-F445 HydrophobicContact CB-CG 4.48Å; F375-F445 HydrophobicContact CD2-CD1 4.36Å; F375-F445 AromaticContact CD2-CE1 3.86Å; F375-F445 HydrophobicContact CD2-CE1 3.86Å; F375-F445 HydrophobicContact CD2-CZ 4.05Å; F375-F445 HydrophobicContact CG-CD1 4.28Å; F375-F445 AromaticContact CG-CE1 3.92Å; F375-F445 HydrophobicContact CG-CE1 3.92Å; T428-F445 HydrophobicContact CG2-CE1 4.34Å; V443-F445 HydrophobicContact CG1-CD2 4.31Å; V443-F445 HydrophobicContact CG1-CE2 3.76Å; V443-F445 HydrophobicContact CG1-CZ 4.13Å; F445-D455 HydrophobicContact CD1-CB 4.37Å; F445-D455 HydrophobicContact CE1-CB 3.8Å; F445-D455 HydrophobicContact CZ-CB 3.94Å; F445-D455 VanDerWaalsContact CZ-O 3.3Å; F445-D455 WeakPolarHBondContact CZ-O 3.32Å; F445-A458 HydrophobicContact CE1-CB 4.13Å; F445-A458 HydrophobicContact CZ-CB 4.15Å; F445-A459 HydrophobicContact CE2-CB 4.19Å; F445-A459 HydrophobicContact CZ-CB 4.16Å; F445-I473 HydrophobicContact CD2-CG2 3.93Å; F445-I473 HydrophobicContact CE2-CG2 3.72Å; F445-V474 PolarHBondContact N-O 2.93Å; F445-R475 HydrophobicContact CB-CG 4.19Å; F445-R475 HydrophobicContact CD2-CG 4.04Å; F445-R475 HydrophobicContact CG-CG 4.47Å; F445-L476 PolarHBondContact O-N 3.1Å
446V94.5Very high87.1Confident2 Ų218.9 Ų18.91%0.01210%0.103CC..SBendtrans-73.1-36.6176.3178.10000110.5K338 I374 F375 M381 I385K338-V446 HydrophobicContact CD-CG1 4.36Å; K338-V446 PolarHBondContact NZ-O 3.43Å; I374-V446 HydrophobicContact CG2-CG2 3.51Å; F375-V446 PolarHBondContact O-N 3.41Å; M381-V446 HydrophobicContact CE-CG1 4.06Å; M381-V446 HydrophobicContact CG-CG1 4.28Å; I385-V446 HydrophobicContact CD1-CG1 4.36Å; I385-V446 HydrophobicContact CD1-CG2 3.86Å
447D92.3Very high87Confident0 Ų018.1 Ų18.10%010%0.097CC..SBendtrans-139.4151.1169.759.51.1000110.8R309 N313 S376 Q377R309-D447 IonicContact NH2-OD2 3.52Å; N313-D447 PolarHBondContact ND2-OD2 2.94Å; S376-D447 WeakPolarHBondContact CA-OD1 3.42Å; Q377-D447 WeakPolarHBondContact CB-OD2 3.23Å; Q377-D447 PolarHBondContact N-OD1 3.46Å
448S88.4Confident87Confident10 Ų1018.1 Ų18.17%0.0710%0.097CC..  trans-96147.6-177.4-62.90000111.6R309R309-S448 PolarHBondContact NH2-O 3.41Å
449D86.6Confident87.1Confident13 Ų1316.6 Ų16.67%0.079%0.088CC..  trans-72.4156.9170.3-152.2-66.4000111Q377 N451 I454 D455Q377-D449 VanDerWaalsContact CD-OD2 3.27Å; Q377-D449 PolarHBondContact NE2-OD2 3.04Å; Q377-D449 PolarHBondContact OE1-OD2 3.27Å; D449-N451 PolarHBondContact O-N 2.65Å; D449-N451 PolarHBondContact OD1-N 2.86Å; D449-I454 HydrophobicContact CB-CB 4.38Å; D449-D455 WeakPolarHBondContact CB-OD1 3.31Å; D449-D455 PolarHBondContact N-OD1 3.06Å; D449-D455 PolarHBondContact N-OD2 3.19Å
450F79.9Confident86.9Confident73 Ų7315.7 Ų15.732%0.328%0.083SC..SBendtrans-69.4-22.7167.1-66.1-77.9000112I305 I486 F517I305-F450 HydrophobicContact CG2-CE1 4.3Å; I305-F450 HydrophobicContact CG2-CZ 3.87Å; F450-I486 HydrophobicContact CD1-CD1 4.2Å; F450-I486 HydrophobicContact CD1-CG1 3.95Å; F450-I486 HydrophobicContact CD1-CG2 3.88Å; F450-I486 HydrophobicContact CE1-CD1 3.47Å; F450-I486 VanDerWaalsContact CE1-CD1 3.47Å; F450-I486 HydrophobicContact CE1-CG1 3.54Å; F450-I486 HydrophobicContact CE1-CG2 4.25Å; F450-I486 HydrophobicContact CZ-CD1 3.9Å; F450-I486 HydrophobicContact CZ-CG1 4.46Å; F450-F517 AromaticContact CD1-CE2 3.8Å; F450-F517 HydrophobicContact CD1-CE2 3.8Å; F450-F517 HydrophobicContact CD1-CZ 4.08Å; F450-F517 AromaticContact CE1-CE2 3.44Å; F450-F517 HydrophobicContact CE1-CE2 3.44Å; F450-F517 VanDerWaalsContact CE1-CE2 3.44Å; F450-F517 AromaticContact CE1-CZ 3.75Å; F450-F517 HydrophobicContact CE1-CZ 3.75Å; F450-F517 HydrophobicContact CZ-CE2 4.37Å
451N75.9Confident86.5Confident47 Ų4716.7 Ų16.725%0.2519%0.087SC..SBendtrans-104.2106.5173.1-176-1.2000110.9D449 Q453 I454D449-N451 PolarHBondContact O-N 2.65Å; D449-N451 PolarHBondContact OD1-N 2.86Å; N451-Q453 PolarHBondContact O-N 3.38Å; N451-Q453 WeakPolarHBondContact OD1-CB 3.32Å; N451-Q453 WeakPolarHBondContact OD1-CG 3.33Å; N451-Q453 PolarHBondContact OD1-N 3.32Å; N451-Q453 VanDerWaalsContact OD1-N 3.1Å; N451-I454 HydrophobicContact CB-CD1 4.05Å; N451-I454 HydrophobicContact CB-CG1 4.14Å; N451-I454 PolarHBondContact O-N 2.94Å; N451-I454 VanDerWaalsContact O-N 3.1Å
452P81.5Confident86.3Confident9 Ų916.7 Ų16.76%0.0589%0.087CC..Hα-helixtrans-58.2-25.8-178.128.5-40000112.9I454 D455 V456 A490 K493 L494P452-I454 VanDerWaalsContact C-N 3.26Å; P452-I454 PolarHBondContact O-N 3.43Å; P452-D455 PolarHBondContact O-N 3.05Å; P452-V456 WeakPolarHBondContact O-CG2 3.34Å; P452-V456 PolarHBondContact O-N 2.7Å; P452-A490 HydrophobicContact CB-CB 3.97Å; P452-A490 HydrophobicContact CG-CB 4.28Å; P452-A490 VanDerWaalsContact CG-O 3.23Å; P452-A490 WeakPolarHBondContact CG-O 3.42Å; P452-K493 HydrophobicContact CG-CB 4.31Å; P452-L494 HydrophobicContact CB-CB 4.21Å; P452-L494 HydrophobicContact CB-CD1 4.03Å; P452-L494 HydrophobicContact CG-CB 4.01Å; P452-L494 HydrophobicContact CG-CD1 4.49Å
453Q76.2Confident86.1Confident29 Ų2917.3 Ų17.314%0.1369%0.09CC..Hα-helixtrans-66.5-30.7-177.3-60.7-176.24.500111.9T188 Q191 N451 Q457T188-Q453 HydrophobicContact CG2-CB 4.47Å; T188-Q453 HydrophobicContact CG2-CG 4.42Å; Q191-Q453 VanDerWaalsContact CG-OE1 3.24Å; N451-Q453 PolarHBondContact O-N 3.38Å; N451-Q453 WeakPolarHBondContact OD1-CB 3.32Å; N451-Q453 WeakPolarHBondContact OD1-CG 3.33Å; N451-Q453 PolarHBondContact OD1-N 3.32Å; N451-Q453 VanDerWaalsContact OD1-N 3.1Å; Q453-Q457 WeakPolarHBondContact O-CB 3.39Å; Q453-Q457 PolarHBondContact O-N 2.89Å
454I82.1Confident85.6Confident39 Ų3919.5 Ų19.520%0.210%0.098CC..Hα-helixtrans-67.2-43.9176.6-60179.5000109.5T428 D449 N451 P452 Q457 A458T428-I454 HydrophobicContact CG2-CG2 3.75Å; D449-I454 HydrophobicContact CB-CB 4.38Å; N451-I454 HydrophobicContact CB-CD1 4.05Å; N451-I454 HydrophobicContact CB-CG1 4.14Å; N451-I454 PolarHBondContact O-N 2.94Å; N451-I454 VanDerWaalsContact O-N 3.1Å; P452-I454 VanDerWaalsContact C-N 3.26Å; P452-I454 PolarHBondContact O-N 3.43Å; I454-Q457 WeakPolarHBondContact O-CB 3.28Å; I454-Q457 PolarHBondContact O-N 3.3Å; I454-A458 WeakPolarHBondContact O-CB 3.31Å; I454-A458 PolarHBondContact O-N 3.5Å
455D86.8Confident85Confident1 Ų122.1 Ų22.11%0.00511%0.112CC..Hα-helixtrans-68.3-42177.6-64.7-9.3000111.9T428 F445 D449 P452 Q457 A458 A459 R475T428-D455 WeakPolarHBondContact CG2-OD1 3.26Å; F445-D455 HydrophobicContact CD1-CB 4.37Å; F445-D455 HydrophobicContact CE1-CB 3.8Å; F445-D455 HydrophobicContact CZ-CB 3.94Å; F445-D455 VanDerWaalsContact CZ-O 3.3Å; F445-D455 WeakPolarHBondContact CZ-O 3.32Å; D449-D455 WeakPolarHBondContact CB-OD1 3.31Å; D449-D455 PolarHBondContact N-OD1 3.06Å; D449-D455 PolarHBondContact N-OD2 3.19Å; P452-D455 PolarHBondContact O-N 3.05Å; D455-Q457 VanDerWaalsContact C-N 3.27Å; D455-Q457 PolarHBondContact O-N 3.04Å; D455-A458 PolarHBondContact O-N 3.35Å; D455-A459 WeakPolarHBondContact O-CB 3.39Å; D455-A459 PolarHBondContact O-N 2.81Å; D455-R475 IonicContact OD2-CZ 2.66Å; D455-R475 IonicContact OD2-NH1 3.16Å; D455-R475 PolarHBondContact OD2-NH1 2.84Å
456V82.7Confident84.4Confident53 Ų5324.6 Ų24.632%0.32114%0.137SC..Hα-helixtrans-61.5-39.5174.7172.10000110.7P452 G460 L494P452-V456 WeakPolarHBondContact O-CG2 3.34Å; P452-V456 PolarHBondContact O-N 2.7Å; V456-G460 PolarHBondContact O-N 3.33Å; V456-L494 HydrophobicContact CG2-CD1 3.85Å
457Q82.3Confident84Confident42 Ų4225.2 Ų25.220%0.19614%0.14CC..Hα-helixtrans-65.2-40.4175177.3176.752.600111.8M60 G432 Q453 I454 D455 G460 R461M60-Q457 HydrophobicContact CE-CG 3.7Å; M60-Q457 HydrophobicContact SD-CB 3.97Å; M60-Q457 HydrophobicContact SD-CG 3.68Å; G432-Q457 VanDerWaalsContact O-CD 3.25Å; G432-Q457 PolarHBondContact O-NE2 3.42Å; G432-Q457 PolarHBondContact O-OE1 3.19Å; Q453-Q457 WeakPolarHBondContact O-CB 3.39Å; Q453-Q457 PolarHBondContact O-N 2.89Å; I454-Q457 WeakPolarHBondContact O-CB 3.28Å; I454-Q457 PolarHBondContact O-N 3.3Å; D455-Q457 VanDerWaalsContact C-N 3.27Å; D455-Q457 PolarHBondContact O-N 3.04Å; Q457-G460 PolarHBondContact O-N 2.83Å; Q457-R461 VanDerWaalsContact CG-NH2 3.26Å; Q457-R461 WeakPolarHBondContact O-CG 3.31Å; Q457-R461 PolarHBondContact O-NE 2.83Å
458A86.3Confident83.6Confident0 Ų033.7 Ų33.70%018%0.177CC..Hα-helixtrans-65.4-45.817600000111.6F375 T428 F445 I454 D455 G460 R461F375-A458 HydrophobicContact CD1-CB 4.17Å; F375-A458 HydrophobicContact CD2-CB 4.46Å; F375-A458 HydrophobicContact CE1-CB 3.86Å; F375-A458 HydrophobicContact CE2-CB 4.17Å; F375-A458 HydrophobicContact CG-CB 4.45Å; F375-A458 HydrophobicContact CZ-CB 3.87Å; T428-A458 HydrophobicContact CG2-CB 4.13Å; F445-A458 HydrophobicContact CE1-CB 4.13Å; F445-A458 HydrophobicContact CZ-CB 4.15Å; I454-A458 WeakPolarHBondContact O-CB 3.31Å; I454-A458 PolarHBondContact O-N 3.5Å; D455-A458 PolarHBondContact O-N 3.35Å; A458-G460 VanDerWaalsContact C-N 3.32Å; A458-G460 PolarHBondContact O-N 3.35Å; A458-R461 VanDerWaalsContact O-CB 3.25Å; A458-R461 WeakPolarHBondContact O-CB 3.42Å; A458-R461 WeakPolarHBondContact O-CG 3.38Å; A458-R461 PolarHBondContact O-N 3Å; A458-R461 VanDerWaalsContact O-N 3.14Å
459A87.1Confident83.5Confident2 Ų235.6 Ų35.62%0.01718%0.184CC..Hα-helixtrans-65.5-3517600000112.9F445 D455 R461 A462 H463 I473F445-A459 HydrophobicContact CE2-CB 4.19Å; F445-A459 HydrophobicContact CZ-CB 4.16Å; D455-A459 WeakPolarHBondContact O-CB 3.39Å; D455-A459 PolarHBondContact O-N 2.81Å; A459-R461 PolarHBondContact O-N 3.02Å; A459-R461 VanDerWaalsContact O-N 3.08Å; A459-A462 PolarHBondContact O-N 2.77Å; A459-H463 PolarHBondContact O-N 2.86Å; A459-I473 HydrophobicContact CB-CD1 3.53Å; A459-I473 HydrophobicContact CB-CG1 4.17Å
460G84.4Confident83.5Confident8 Ų835.8 Ų35.88%0.08219%0.186CC..THydrogen-bonded Turntrans-64.2-6.817400000114.7V456 Q457 A458V456-G460 PolarHBondContact O-N 3.33Å; Q457-G460 PolarHBondContact O-N 2.83Å; A458-G460 VanDerWaalsContact C-N 3.32Å; A458-G460 PolarHBondContact O-N 3.35Å
461R83.8Confident84Confident20 Ų2032.3 Ų32.38%0.07517%0.17CC..THydrogen-bonded Turntrans-74.9-30.7173-54.3-62.9161.5-161.56.7112.8M60 G432 G434 L435 L437 Q457 A458 A459 R464M60-R461 VanDerWaalsContact CE-NH2 3.25Å; G432-R461 PolarHBondContact O-NH2 2.94Å; G434-R461 VanDerWaalsContact CA-CZ 3.45Å; G434-R461 VanDerWaalsContact CA-NH1 3.35Å; L435-R461 WeakPolarHBondContact O-CD 3.4Å; L437-R461 HydrophobicContact CD1-CB 4.48Å; L437-R461 PolarHBondContact N-O 2.83Å; Q457-R461 VanDerWaalsContact CG-NH2 3.26Å; Q457-R461 WeakPolarHBondContact O-CG 3.31Å; Q457-R461 PolarHBondContact O-NE 2.83Å; A458-R461 VanDerWaalsContact O-CB 3.25Å; A458-R461 WeakPolarHBondContact O-CB 3.42Å; A458-R461 WeakPolarHBondContact O-CG 3.38Å; A458-R461 PolarHBondContact O-N 3Å; A458-R461 VanDerWaalsContact O-N 3.14Å; A459-R461 PolarHBondContact O-N 3.02Å; A459-R461 VanDerWaalsContact O-N 3.08Å; R461-R464 WeakPolarHBondContact O-CD 3.42Å
462A87.5Confident84.6Confident0 Ų030.5 Ų30.50%016%0.16CC..THydrogen-bonded Turntrans-93.7-45.9173.500000111.9L373 A440 V443 A459 R464 Q467L373-A462 HydrophobicContact CD1-CB 4Å; A440-A462 HydrophobicContact CB-CB 4.47Å; V443-A462 HydrophobicContact CG2-CB 3.95Å; A459-A462 PolarHBondContact O-N 2.77Å; A462-R464 PolarHBondContact O-N 3.15Å; A462-Q467 PolarHBondContact O-NE2 2.83Å
463H86.6Confident85Confident16 Ų1630.2 Ų30.27%0.07416%0.158CC..SBendtrans-84.676.6179-168.8-107.3000111.9K247 L254 P255 A459 V471K247-H463 PolarHBondContact NZ-O 3.28Å; L254-H463 WeakPolarHBondContact CD2-CE1 3.28Å; P255-H463 PolarHBondContact O-NE2 3.33Å; A459-H463 PolarHBondContact O-N 2.86Å; H463-V471 HydrophobicContact CB-CB 4.47Å; H463-V471 HydrophobicContact CB-CG1 4.42Å; H463-V471 HydrophobicContact CB-CG2 4.33Å
464R84.4Confident85.8Confident46 Ų4628.9 Ų28.917%0.17415%0.152CC..SBendtrans-141.5171.1179.959.5176.5-77.3176.1-3.1111.7L254 N436 V438 R461 A462 G466 Q467L254-R464 WeakPolarHBondContact CD1-O 3.32Å; N436-R464 VanDerWaalsContact OD1-CD 3.24Å; N436-R464 WeakPolarHBondContact OD1-CD 3.35Å; N436-R464 PolarHBondContact OD1-NE 2.98Å; N436-R464 VanDerWaalsContact OD1-NE 3.16Å; N436-R464 PolarHBondContact OD1-NH1 3.19Å; V438-R464 HydrophobicContact CG1-CG 3.52Å; R461-R464 WeakPolarHBondContact O-CD 3.42Å; A462-R464 PolarHBondContact O-N 3.15Å; R464-G466 PolarHBondContact O-N 2.71Å; R464-Q467 VanDerWaalsContact O-CB 3.27Å; R464-Q467 WeakPolarHBondContact O-CB 3.42Å; R464-Q467 PolarHBondContact O-N 3.2Å
465I81.1Confident86.2Confident55 Ų5529 Ų2928%0.28215%0.15SC..THydrogen-bonded Turntrans-53.8127.4172.8-60.4171.5000108.9Y36 G61 L251Y36-I465 VanDerWaalsContact OH-CD1 3.26Å; Y36-I465 WeakPolarHBondContact OH-CD1 3.43Å; G61-I465 WeakPolarHBondContact O-CD1 3.41Å; G61-I465 VanDerWaalsContact O-CG1 3.25Å; G61-I465 WeakPolarHBondContact O-CG1 3.46Å; L251-I465 HydrophobicContact CD1-CD1 4.09Å; L251-I465 HydrophobicContact CD1-CG1 3.64Å; L251-I465 HydrophobicContact CD2-CD1 4.3Å; L251-I465 HydrophobicContact CD2-CG1 4.32Å
466G82.2Confident86.5Confident52 Ų5229 Ų2954%0.53615%0.15SC..THydrogen-bonded Turntrans112.2-20.8-172.700000113.2R464 K468R464-G466 PolarHBondContact O-N 2.71Å; G466-K468 PolarHBondContact O-N 3.25Å
467Q86.2Confident86.8Confident14 Ų1426.5 Ų26.57%0.06514%0.135CC..  trans-67.9127.3172.7-179.357.1-88.100110.6L254 P255 V438 A440 A462 R464 K469 V471L254-Q467 HydrophobicContact CD1-CB 4.38Å; P255-Q467 WeakPolarHBondContact CD-O 3.32Å; V438-Q467 PolarHBondContact O-NE2 3.47Å; A440-Q467 PolarHBondContact O-NE2 3.36Å; A462-Q467 PolarHBondContact O-NE2 2.83Å; R464-Q467 VanDerWaalsContact O-CB 3.27Å; R464-Q467 WeakPolarHBondContact O-CB 3.42Å; R464-Q467 PolarHBondContact O-N 3.2Å; Q467-K469 VanDerWaalsContact CD-O 3.24Å; Q467-K469 WeakPolarHBondContact CG-O 3.38Å; Q467-K469 PolarHBondContact OE1-O 3.49Å; Q467-V471 HydrophobicContact CG-CG2 3.74Å
468K84.6Confident87Confident179 Ų17924.5 Ų24.578%0.77813%0.125SC*.  trans-105.8-25177.4-63.6-177.6-180-179.60112.3P255 G466P255-K468 WeakPolarHBondContact CG-O 3.07Å; G466-K468 PolarHBondContact O-N 3.25Å
469K86Confident86.7Confident50 Ų5027.2 Ų27.222%0.21714%0.136CC..SBendtrans-94.6143.2-179.7-56.5-168.2178.1-171.50111.2P255 D441 Q467P255-K469 WeakPolarHBondContact CB-O 3.4Å; D441-K469 HydrophobicContact CB-CB 3.95Å; D441-K469 HydrophobicContact CB-CD 3.93Å; D441-K469 WeakPolarHBondContact OD2-CD 3.09Å; D441-K469 IonicContact OD2-NZ 3.55Å; D441-K469 PolarHBondContact OD2-NZ 2.83Å; Q467-K469 VanDerWaalsContact CD-O 3.24Å; Q467-K469 WeakPolarHBondContact CG-O 3.38Å; Q467-K469 PolarHBondContact OE1-O 3.49Å
470P86.3Confident86.2Confident17 Ų1729.3 Ų29.311%0.1115%0.145CC..  trans-57142.4166.719.9-28.2000110.8P255 P256 H568 W569P255-P470 HydrophobicContact CB-CB 4.45Å; P256-P470 HydrophobicContact CG-CB 4.36Å; P470-H568 HydrophobicContact CG-CB 4.5Å; P470-W569 HydrophobicContact CB-CB 4.26Å; P470-W569 HydrophobicContact CG-CB 3.76Å; P470-W569 WeakPolarHBondContact CG-O 3.45Å
471V89.3Confident86.1Confident0 Ų029 Ų290%014%0.141CC..EExtended strand (participates in β ladder)trans-109.8132.6-172.5179.70000111.3P256 R257 A258 D441 H463 Q467 I473P256-V471 PolarHBondContact O-N 3.34Å; R257-V471 WeakPolarHBondContact CA-O 3.26Å; A258-V471 PolarHBondContact N-O 3.42Å; D441-V471 CarbonylContact O-C 3.51Å; D441-V471 VanDerWaalsContact O-CA 3.22Å; D441-V471 WeakPolarHBondContact O-CA 3.42Å; H463-V471 HydrophobicContact CB-CB 4.47Å; H463-V471 HydrophobicContact CB-CG1 4.42Å; H463-V471 HydrophobicContact CB-CG2 4.33Å; Q467-V471 HydrophobicContact CG-CG2 3.74Å; V471-I473 HydrophobicContact CG1-CG1 4.37Å
472R89.6Confident86.2Confident8 Ų828 Ų283%0.0314%0.138CC..EExtended strand (participates in β ladder)trans-107.4124.2172.2-63.7-57.8-165-127.4-9.1110.2D441 T442 V443 L559 W569 L570 I572D441-R472 PolarHBondContact O-N 2.7Å; T442-R472 CarbonylContact C-O 3.37Å; T442-R472 WeakPolarHBondContact CA-O 3.27Å; T442-R472 HydrophobicContact CG2-CB 4.42Å; V443-R472 PolarHBondContact N-O 2.92Å; R472-L559 PolarHBondContact NE-O 3.01Å; R472-L559 PolarHBondContact NH2-O 3.22Å; R472-W569 HydrophobicContact CG-CD2 3.87Å; R472-W569 HydrophobicContact CG-CG 3.96Å; R472-W569 HydrophobicContact CG-CZ2 4.24Å; R472-L570 PolarHBondContact NH2-O 3.04Å; R472-I572 VanDerWaalsContact NH2-CG1 3.27Å
473I90.5Very high86.1Confident3 Ų328.6 Ų28.62%0.01514%0.14CC..EExtended strand (participates in β ladder)trans-107.8112.8172.5-65163.7000107.8R257 A258 D259 I260 V443 F445 A459 V471R257-I473 HydrophobicContact CG-CD1 3.69Å; R257-I473 HydrophobicContact CG-CG1 4.37Å; A258-I473 PolarHBondContact O-N 2.94Å; D259-I473 WeakPolarHBondContact OD1-CD1 3.45Å; I260-I473 PolarHBondContact N-O 2.61Å; V443-I473 HydrophobicContact CB-CG1 4.12Å; V443-I473 CarbonylContact O-C 3.49Å; V443-I473 WeakPolarHBondContact O-CA 3.41Å; F445-I473 HydrophobicContact CD2-CG2 3.93Å; F445-I473 HydrophobicContact CE2-CG2 3.72Å; A459-I473 HydrophobicContact CB-CD1 3.53Å; A459-I473 HydrophobicContact CB-CG1 4.17Å; V471-I473 HydrophobicContact CG1-CG1 4.37Å
474V91.2Very high86Confident1 Ų128.6 Ų28.61%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-104.4125.4-179.5-178.30000109I260 I262 L345 V443 I444 F445 L476 L559I260-V474 CarbonylContact O-C 3.57Å; I260-V474 WeakPolarHBondContact O-CA 3.28Å; I262-V474 HydrophobicContact CD1-CG1 3.45Å; I262-V474 VanDerWaalsContact CD1-CG1 3.45Å; I262-V474 HydrophobicContact CG1-CG1 3.89Å; L345-V474 HydrophobicContact CD1-CG1 4.06Å; V443-V474 PolarHBondContact O-N 3.09Å; I444-V474 CarbonylContact C-O 3.59Å; I444-V474 VanDerWaalsContact CA-O 3.31Å; I444-V474 WeakPolarHBondContact CA-O 3.21Å; I444-V474 HydrophobicContact CG1-CB 4.33Å; F445-V474 PolarHBondContact N-O 2.93Å; V474-L476 HydrophobicContact CG1-CD2 3.93Å; V474-L559 HydrophobicContact CG2-CD2 3.84Å
475R91.6Very high85.7Confident41 Ų4126.4 Ų26.416%0.15513%0.132CC..EExtended strand (participates in β ladder)trans-110.3123.6171.8-66.6-179-178.3-87.3-2.1109.3I260 L261 I262 F445 D455I260-R475 PolarHBondContact O-N 3.26Å; L261-R475 HydrophobicContact CD1-CB 3.95Å; I262-R475 PolarHBondContact N-O 3.39Å; F445-R475 HydrophobicContact CB-CG 4.19Å; F445-R475 HydrophobicContact CD2-CG 4.04Å; F445-R475 HydrophobicContact CG-CG 4.47Å; D455-R475 IonicContact OD2-CZ 2.66Å; D455-R475 IonicContact OD2-NH1 3.16Å; D455-R475 PolarHBondContact OD2-NH1 2.84Å
476L92Very high85.8Confident1 Ų124 Ų241%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-91.1120.9174.9-52.9-175.6000108.8I262 L341 I444 F445 V474I262-L476 HydrophobicContact CB-CD2 4.12Å; I262-L476 HydrophobicContact CD1-CD2 4.47Å; L341-L476 HydrophobicContact CD2-CD2 3.79Å; L341-L476 HydrophobicContact CG-CD2 4.36Å; I444-L476 HydrophobicContact CG2-CD1 4.21Å; I444-L476 HydrophobicContact CG2-CG 4.22Å; F445-L476 PolarHBondContact O-N 3.1Å; V474-L476 HydrophobicContact CG1-CD2 3.93Å
477V90Very high85.9Confident1 Ų122.2 Ų22.21%0.00610%0.098CC..EExtended strand (participates in β ladder)trans-134.2132.3-178.8175.20000110.8L261 I262 Y263 H264 E483 E484 L487L261-V477 HydrophobicContact CD1-CB 3.91Å; L261-V477 HydrophobicContact CD1-CG2 3.49Å; L261-V477 VanDerWaalsContact CD1-CG2 3.49Å; I262-V477 PolarHBondContact O-N 2.87Å; Y263-V477 CarbonylContact C-O 3.56Å; Y263-V477 VanDerWaalsContact CA-O 3.25Å; Y263-V477 WeakPolarHBondContact CA-O 3.28Å; Y263-V477 HydrophobicContact CD1-CB 4.28Å; Y263-V477 HydrophobicContact CD1-CG1 4.19Å; Y263-V477 HydrophobicContact CE1-CB 4.32Å; Y263-V477 HydrophobicContact CE1-CG1 3.96Å; H264-V477 VanDerWaalsContact CD2-C 3.48Å; H264-V477 PolarHBondContact CD2-O 3.33Å; H264-V477 VanDerWaalsContact CD2-O 3.28Å; H264-V477 PolarHBondContact N-O 3.31Å; V477-E483 HydrophobicContact CG1-CB 4.09Å; V477-E484 HydrophobicContact CG1-CG 4.23Å; V477-L487 HydrophobicContact CG2-CD2 4.23Å
478C87Confident85.5Confident0 Ų022.2 Ų22.20%010%0.1CC..EExtended strand (participates in β ladder)trans-85127.8177-163.50000112.1H264 L266 V312 T481 E483H264-C478 WeakPolarHBondContact CE1-CB 3.41Å; H264-C478 VanDerWaalsContact CE1-SG 3.57Å; H264-C478 WeakPolarHBondContact NE2-CB 3.49Å; H264-C478 PolarHBondContact NE2-N 3.3Å; H264-C478 WeakPolarHBondContact O-CA 3.42Å; H264-C478 PolarHBondContact O-SG 3.21Å; H264-C478 VanDerWaalsContact O-SG 3.35Å; L266-C478 WeakPolarHBondContact CD2-SG 3.34Å; L266-C478 VanDerWaalsContact CG-SG 3.59Å; V312-C478 HydrophobicContact CG1-CB 3.33Å; C478-T481 HydrophobicContact CB-CG2 3.93Å; C478-T481 PolarHBondContact O-OG1 3.39Å; C478-E483 PolarHBondContact N-OE2 2.82Å
479R79.5Confident85.1Confident58 Ų5815.8 Ų15.822%0.2197%0.071CC..THydrogen-bonded Turntrans-69.4146.7178.8-76.3-172.9161.7-153.5-10.6113.1Y263 H264 T481 E484 T595Y263-R479 HydrophobicContact CD1-CG 3.36Å; Y263-R479 HydrophobicContact CE1-CG 4.18Å; Y263-R479 HydrophobicContact CG-CG 3.72Å; H264-R479 PolarHBondContact O-N 3.11Å; R479-T481 WeakPolarHBondContact O-CG2 3.26Å; R479-T481 PolarHBondContact O-N 3.29Å; R479-E484 WeakPolarHBondContact CA-OE2 3.47Å; R479-T595 PolarHBondContact NH2-OG1 3.06Å; R479-T595 VanDerWaalsContact NH2-OG1 3.15Å
480H75.6Confident84.7Confident45 Ų4513.7 Ų13.721%0.2086%0.062CC..THydrogen-bonded Turntrans58.831.8177.6-53.7-41.9000111.9E484 K532 L533H480-E484 PolarHBondContact N-OE2 3.03Å; H480-K532 PolarHBondContact CE1-NZ 3.46Å; H480-K532 VanDerWaalsContact CE1-NZ 3.34Å; H480-K532 VanDerWaalsContact NE2-CD 3.27Å; H480-K532 WeakPolarHBondContact NE2-CD 3.29Å; H480-K532 PolarHBondContact NE2-NZ 3.44Å; H480-L533 WeakPolarHBondContact O-CD1 3.34Å
481T84.4Confident84.2Confident1 Ų116.6 Ų16.61%0.0067%0.074CC..SBendtrans-130.2171.9177.875.60000112L266 Y274 V312 C478 R479 E483 E484L266-T481 HydrophobicContact CD1-CG2 3.96Å; L266-T481 HydrophobicContact CD2-CG2 4.34Å; L266-T481 HydrophobicContact CG-CG2 4.18Å; Y274-T481 HydrophobicContact CE2-CG2 4.48Å; V312-T481 HydrophobicContact CG2-CG2 4.08Å; C478-T481 HydrophobicContact CB-CG2 3.93Å; C478-T481 PolarHBondContact O-OG1 3.39Å; R479-T481 WeakPolarHBondContact O-CG2 3.26Å; R479-T481 PolarHBondContact O-N 3.29Å; T481-E483 PolarHBondContact O-N 3.5Å; T481-E483 VanDerWaalsContact O-N 3.07Å; T481-E483 PolarHBondContact OG1-N 3.27Å; T481-E484 WeakPolarHBondContact O-CB 3.23Å; T481-E484 PolarHBondContact O-N 3.27Å; T481-E484 VanDerWaalsContact O-N 3.16Å
482V84.4Confident83.4Confident1 Ų120.5 Ų20.51%0.00610%0.095CC..Hα-helixtrans-54.3-24.2174.3172.50000113.4Y274 I305 L308 A485 I486 V525 L526Y274-V482 WeakPolarHBondContact OH-CG2 3.22Å; Y274-V482 PolarHBondContact OH-N 3.41Å; I305-V482 HydrophobicContact CG1-CG1 4.36Å; I305-V482 HydrophobicContact CG2-CG1 4.02Å; L308-V482 HydrophobicContact CB-CG2 4.18Å; L308-V482 HydrophobicContact CD1-CG2 3.66Å; V482-A485 WeakPolarHBondContact O-CB 3.38Å; V482-A485 PolarHBondContact O-N 3.33Å; V482-I486 HydrophobicContact CG1-CD1 3.83Å; V482-I486 HydrophobicContact CG1-CG1 4.22Å; V482-I486 VanDerWaalsContact O-CG1 3.25Å; V482-I486 WeakPolarHBondContact O-CG1 3.16Å; V482-I486 PolarHBondContact O-N 2.97Å; V482-V525 HydrophobicContact CB-CG1 4.39Å; V482-V525 HydrophobicContact CG1-CG1 4.17Å; V482-V525 HydrophobicContact CG2-CG1 4.06Å; V482-L526 HydrophobicContact CG2-CD2 4.23Å
483E86.9Confident82.5Confident12 Ų1223.7 Ų23.76%0.05611%0.109CC..Hα-helixtrans-66.8-38.2178.2-66.5-160.1144.400113.3V312 K338 V477 C478 T481 A485 I486 L487V312-E483 HydrophobicContact CB-CG 4.38Å; V312-E483 HydrophobicContact CG1-CG 3.83Å; V312-E483 VanDerWaalsContact CG1-OE2 3.26Å; V312-E483 WeakPolarHBondContact CG1-OE2 3.29Å; K338-E483 VanDerWaalsContact CE-OE2 3.23Å; K338-E483 WeakPolarHBondContact CE-OE2 3.15Å; K338-E483 IonicContact NZ-OE1 2.8Å; K338-E483 PolarHBondContact NZ-OE1 2.84Å; K338-E483 IonicContact NZ-OE2 3.57Å; K338-E483 PolarHBondContact NZ-OE2 3.29Å; V477-E483 HydrophobicContact CG1-CB 4.09Å; C478-E483 PolarHBondContact N-OE2 2.82Å; T481-E483 PolarHBondContact O-N 3.5Å; T481-E483 VanDerWaalsContact O-N 3.07Å; T481-E483 PolarHBondContact OG1-N 3.27Å; E483-A485 VanDerWaalsContact C-N 3.31Å; E483-A485 PolarHBondContact O-N 3.02Å; E483-I486 PolarHBondContact O-N 3.4Å; E483-L487 PolarHBondContact O-N 3.34Å
484E82.7Confident81.6Confident15 Ų1526.7 Ų26.77%0.0713%0.125CC..Hα-helixtrans-60.9-44.3176.1-126.1-177.9143.600110.8Y263 V477 R479 H480 T481 I486 L487 S488 F528 F599Y263-E484 HydrophobicContact CE1-CG 3.82Å; V477-E484 HydrophobicContact CG1-CG 4.23Å; R479-E484 WeakPolarHBondContact CA-OE2 3.47Å; H480-E484 PolarHBondContact N-OE2 3.03Å; T481-E484 WeakPolarHBondContact O-CB 3.23Å; T481-E484 PolarHBondContact O-N 3.27Å; T481-E484 VanDerWaalsContact O-N 3.16Å; E484-I486 VanDerWaalsContact C-N 3.33Å; E484-I486 PolarHBondContact O-N 3.17Å; E484-L487 PolarHBondContact O-N 3.07Å; E484-S488 PolarHBondContact O-N 3.14Å; E484-F528 HydrophobicContact CB-CE1 4.26Å; E484-F528 WeakPolarHBondContact OE2-CE1 3.45Å; E484-F599 VanDerWaalsContact C-CZ 3.45Å; E484-F599 HydrophobicContact CB-CD2 4.36Å; E484-F599 HydrophobicContact CB-CE2 3.44Å; E484-F599 VanDerWaalsContact CB-CE2 3.44Å; E484-F599 HydrophobicContact CB-CZ 3.63Å; E484-F599 HydrophobicContact CG-CD2 3.66Å; E484-F599 HydrophobicContact CG-CE2 3.15Å; E484-F599 HydrophobicContact CG-CZ 3.88Å; E484-F599 WeakPolarHBondContact O-CZ 3.25Å; E484-F599 WeakPolarHBondContact OE1-CD2 3.43Å; E484-F599 WeakPolarHBondContact OE1-CE2 3.38Å
485A78.4Confident80.5Confident0 Ų031.4 Ų31.40%015%0.145CC..Hα-helixtrans-62.4-36.6175.100000114.3V482 E483 R489 V525 C601V482-A485 WeakPolarHBondContact O-CB 3.38Å; V482-A485 PolarHBondContact O-N 3.33Å; E483-A485 VanDerWaalsContact C-N 3.31Å; E483-A485 PolarHBondContact O-N 3.02Å; A485-R489 PolarHBondContact O-N 3.01Å; A485-V525 HydrophobicContact CB-CB 3.85Å; A485-V525 HydrophobicContact CB-CG1 3.3Å; A485-V525 HydrophobicContact CB-CG2 3.4Å; A485-V525 VanDerWaalsContact CB-CG2 3.4Å; A485-C601 VanDerWaalsContact CA-SG 3.55Å; A485-C601 VanDerWaalsContact CB-SG 3.54Å
486I83.8Confident79.1Confident5 Ų533 Ų333%0.02616%0.157CC..Hα-helixtrans-68.1-45.6175.3-69.1168.6000109.6R309 F450 V482 E483 E484 S488 R489 A490 F517R309-I486 HydrophobicContact CG-CD1 4.03Å; F450-I486 HydrophobicContact CD1-CD1 4.2Å; F450-I486 HydrophobicContact CD1-CG1 3.95Å; F450-I486 HydrophobicContact CD1-CG2 3.88Å; F450-I486 HydrophobicContact CE1-CD1 3.47Å; F450-I486 VanDerWaalsContact CE1-CD1 3.47Å; F450-I486 HydrophobicContact CE1-CG1 3.54Å; F450-I486 HydrophobicContact CE1-CG2 4.25Å; F450-I486 HydrophobicContact CZ-CD1 3.9Å; F450-I486 HydrophobicContact CZ-CG1 4.46Å; V482-I486 HydrophobicContact CG1-CD1 3.83Å; V482-I486 HydrophobicContact CG1-CG1 4.22Å; V482-I486 VanDerWaalsContact O-CG1 3.25Å; V482-I486 WeakPolarHBondContact O-CG1 3.16Å; V482-I486 PolarHBondContact O-N 2.97Å; E483-I486 PolarHBondContact O-N 3.4Å; E484-I486 VanDerWaalsContact C-N 3.33Å; E484-I486 PolarHBondContact O-N 3.17Å; I486-S488 PolarHBondContact O-N 3.4Å; I486-R489 PolarHBondContact O-N 2.9Å; I486-A490 WeakPolarHBondContact O-CB 3.49Å; I486-A490 PolarHBondContact O-N 3.04Å; I486-F517 HydrophobicContact CG1-CZ 4.24Å
487L84.2Confident77.7Confident14 Ų1433.6 Ų33.67%0.07316%0.162CC..Hα-helixtrans-59.4-46.9179.2-178.367.7000111.2L261 V477 E483 E484 R489 A490 E491L261-L487 HydrophobicContact CD1-CD2 3.71Å; L261-L487 HydrophobicContact CD2-CD2 3.59Å; L261-L487 HydrophobicContact CG-CD2 4.32Å; V477-L487 HydrophobicContact CG2-CD2 4.23Å; E483-L487 PolarHBondContact O-N 3.34Å; E484-L487 PolarHBondContact O-N 3.07Å; L487-R489 VanDerWaalsContact C-N 3.35Å; L487-R489 PolarHBondContact O-N 3.38Å; L487-A490 CarbonylContact O-C 3.58Å; L487-A490 WeakPolarHBondContact O-CA 3.43Å; L487-A490 WeakPolarHBondContact O-CB 2.89Å; L487-A490 PolarHBondContact O-N 3.47Å; L487-A490 VanDerWaalsContact O-N 3.07Å; L487-E491 PolarHBondContact O-N 3.49Å
488S78.1Confident76.5Confident15 Ų1536 Ų3611%0.10518%0.177CC..Hα-helixtrans-57.5-44.3177.3-177.90000114.1E484 I486 A490 E491 N492 F599E484-S488 PolarHBondContact O-N 3.14Å; I486-S488 PolarHBondContact O-N 3.4Å; S488-A490 VanDerWaalsContact C-N 3.31Å; S488-A490 PolarHBondContact O-N 3.18Å; S488-E491 PolarHBondContact O-N 2.76Å; S488-N492 WeakPolarHBondContact O-CB 3.4Å; S488-N492 VanDerWaalsContact O-CG 3.28Å; S488-N492 PolarHBondContact O-N 3.12Å; S488-N492 PolarHBondContact O-ND2 3.15Å; S488-F599 WeakPolarHBondContact OG-CD1 3.45Å; S488-F599 WeakPolarHBondContact OG-CE1 3.36Å
489R75.4Confident75.1Confident44 Ų4443 Ų4317%0.16620%0.203CC..Hα-helixtrans-63.8-41.6174.6-82-170.7175.768.23.7111.6A485 I486 L487 E491 N492 K493 F517 E521A485-R489 PolarHBondContact O-N 3.01Å; I486-R489 PolarHBondContact O-N 2.9Å; L487-R489 VanDerWaalsContact C-N 3.35Å; L487-R489 PolarHBondContact O-N 3.38Å; R489-E491 VanDerWaalsContact C-N 3.33Å; R489-N492 PolarHBondContact O-N 3.24Å; R489-K493 WeakPolarHBondContact O-CB 3.39Å; R489-K493 VanDerWaalsContact O-CG 3.27Å; R489-K493 WeakPolarHBondContact O-CG 3.35Å; R489-K493 PolarHBondContact O-N 3.4Å; R489-F517 VanDerWaalsContact CZ-CE1 3.44Å; R489-F517 VanDerWaalsContact NE-CD1 3.34Å; R489-F517 VanDerWaalsContact NH1-CE1 3.31Å; R489-E521 IonicContact CZ-OE2 2.83Å; R489-E521 IonicContact NE-OE2 3.73Å; R489-E521 PolarHBondContact NE-OE2 3.37Å; R489-E521 VanDerWaalsContact NH2-CD 3.33Å; R489-E521 PolarHBondContact NH2-O 3.22Å; R489-E521 IonicContact NH2-OE2 3.42Å; R489-E521 PolarHBondContact NH2-OE2 2.91Å
490A78Confident74Confident5 Ų541.8 Ų41.84%0.04120%0.202CC..Hα-helixtrans-61.3-45177.800000110.3P452 I486 L487 S488 K493 L494P452-A490 HydrophobicContact CB-CB 3.97Å; P452-A490 HydrophobicContact CG-CB 4.28Å; P452-A490 VanDerWaalsContact CG-O 3.23Å; P452-A490 WeakPolarHBondContact CG-O 3.42Å; I486-A490 WeakPolarHBondContact O-CB 3.49Å; I486-A490 PolarHBondContact O-N 3.04Å; L487-A490 CarbonylContact O-C 3.58Å; L487-A490 WeakPolarHBondContact O-CA 3.43Å; L487-A490 WeakPolarHBondContact O-CB 2.89Å; L487-A490 PolarHBondContact O-N 3.47Å; L487-A490 VanDerWaalsContact O-N 3.07Å; S488-A490 VanDerWaalsContact C-N 3.31Å; S488-A490 PolarHBondContact O-N 3.18Å; A490-K493 PolarHBondContact O-N 3.22Å; A490-L494 WeakPolarHBondContact O-CB 3.35Å; A490-L494 PolarHBondContact O-N 3.41Å
491E76.2Confident73.4Confident79 Ų7941.2 Ų41.237%0.36920%0.2SC..Hα-helixtrans-63.4-44.2175.2-73-172.3-174.900113.1L487 S488 R489 K493 L494 K495L487-E491 PolarHBondContact O-N 3.49Å; S488-E491 PolarHBondContact O-N 2.76Å; R489-E491 VanDerWaalsContact C-N 3.33Å; E491-K493 VanDerWaalsContact C-N 3.33Å; E491-K493 PolarHBondContact O-N 3.23Å; E491-L494 PolarHBondContact O-N 3.41Å; E491-L494 VanDerWaalsContact O-N 3.17Å; E491-K495 WeakPolarHBondContact O-CB 3.37Å; E491-K495 WeakPolarHBondContact O-CG 3.32Å; E491-K495 PolarHBondContact O-N 3.05Å; E491-K495 IonicContact OE2-NZ 2.73Å
492N72.1Confident72.1Confident82 Ų8245 Ų4544%0.43922%0.221SC..Hα-helixtrans-61.5-42.8177.2-72.8-21.4000111.1S488 R489 L494 K495 L496S488-N492 WeakPolarHBondContact O-CB 3.4Å; S488-N492 VanDerWaalsContact O-CG 3.28Å; S488-N492 PolarHBondContact O-N 3.12Å; S488-N492 PolarHBondContact O-ND2 3.15Å; R489-N492 PolarHBondContact O-N 3.24Å; N492-L494 VanDerWaalsContact C-N 3.34Å; N492-L494 PolarHBondContact O-N 2.94Å; N492-K495 PolarHBondContact O-N 3.45Å; N492-L496 WeakPolarHBondContact O-CB 3.46Å; N492-L496 VanDerWaalsContact O-CG 3.23Å; N492-L496 WeakPolarHBondContact O-CG 3.3Å; N492-L496 PolarHBondContact O-N 2.97Å
493K70.3Confident70.4Confident75 Ų7548 Ų4833%0.32624%0.239SC..Hα-helixtrans-61.3-41.2173.4-74.5179.2-179.4-171.90112.2P452 R489 A490 E491 L496 A497P452-K493 HydrophobicContact CG-CB 4.31Å; R489-K493 WeakPolarHBondContact O-CB 3.39Å; R489-K493 VanDerWaalsContact O-CG 3.27Å; R489-K493 WeakPolarHBondContact O-CG 3.35Å; R489-K493 PolarHBondContact O-N 3.4Å; A490-K493 PolarHBondContact O-N 3.22Å; E491-K493 VanDerWaalsContact C-N 3.33Å; E491-K493 PolarHBondContact O-N 3.23Å; K493-L496 PolarHBondContact O-N 3.41Å; K493-A497 WeakPolarHBondContact O-CB 3.5Å; K493-A497 PolarHBondContact O-N 3.13Å
494L71.4Confident68.5Low65 Ų6550.1 Ų50.134%0.3425%0.253SS..Hα-helixtrans-69.1-41.1178-172139.8000112.1P452 V456 A490 E491 N492 A497 T498P452-L494 HydrophobicContact CB-CB 4.21Å; P452-L494 HydrophobicContact CB-CD1 4.03Å; P452-L494 HydrophobicContact CG-CB 4.01Å; P452-L494 HydrophobicContact CG-CD1 4.49Å; V456-L494 HydrophobicContact CG2-CD1 3.85Å; A490-L494 WeakPolarHBondContact O-CB 3.35Å; A490-L494 PolarHBondContact O-N 3.41Å; E491-L494 PolarHBondContact O-N 3.41Å; E491-L494 VanDerWaalsContact O-N 3.17Å; N492-L494 VanDerWaalsContact C-N 3.34Å; N492-L494 PolarHBondContact O-N 2.94Å; L494-A497 PolarHBondContact O-N 3.37Å; L494-T498 VanDerWaalsContact O-CB 3.28Å; L494-T498 WeakPolarHBondContact O-CB 3.46Å; L494-T498 PolarHBondContact O-N 3.24Å; L494-T498 PolarHBondContact O-OG1 3.34Å
495K68Low66.5Low100 Ų10053 Ų5344%0.43527%0.268SS..Hα-helixtrans-60.9-44.9173.4-74.2171.5-176165.90110.9E491 N492 T498 R499E491-K495 WeakPolarHBondContact O-CB 3.37Å; E491-K495 WeakPolarHBondContact O-CG 3.32Å; E491-K495 PolarHBondContact O-N 3.05Å; E491-K495 IonicContact OE2-NZ 2.73Å; N492-K495 PolarHBondContact O-N 3.45Å; K495-T498 PolarHBondContact O-N 3.4Å; K495-R499 WeakPolarHBondContact O-CB 3.22Å; K495-R499 WeakPolarHBondContact O-CG 3.48Å; K495-R499 PolarHBondContact O-N 3.47Å
496L63Low65Low75 Ų7554.1 Ų54.139%0.39328%0.275SS..Hα-helixtrans-61.2-51175.6-73.4169.8000111.5N492 K493 T498 R499 V500N492-L496 WeakPolarHBondContact O-CB 3.46Å; N492-L496 VanDerWaalsContact O-CG 3.23Å; N492-L496 WeakPolarHBondContact O-CG 3.3Å; N492-L496 PolarHBondContact O-N 2.97Å; K493-L496 PolarHBondContact O-N 3.41Å; L496-T498 VanDerWaalsContact C-N 3.28Å; L496-T498 PolarHBondContact O-N 2.81Å; L496-R499 PolarHBondContact O-N 2.95Å; L496-V500 VanDerWaalsContact O-CG2 3.3Å; L496-V500 WeakPolarHBondContact O-CG2 3.31Å; L496-V500 PolarHBondContact O-N 3.24Å
497A63.3Low62.9Low13 Ų1356.5 Ų56.511%0.10729%0.287CS..Hα-helixtrans-58.8-4117700000111.9K493 L494 L501K493-A497 WeakPolarHBondContact O-CB 3.5Å; K493-A497 PolarHBondContact O-N 3.13Å; L494-A497 PolarHBondContact O-N 3.37Å; A497-L501 VanDerWaalsContact O-CB 3.32Å; A497-L501 WeakPolarHBondContact O-CB 3.37Å; A497-L501 WeakPolarHBondContact O-CD1 3.4Å; A497-L501 WeakPolarHBondContact O-CG 3.31Å; A497-L501 PolarHBondContact O-N 2.94Å
498T63.5Low60.8Low53 Ų5362 Ų6233%0.32532%0.316SS..Hα-helixtrans-67.8-40.9179.8-56.40000111.8L494 K495 L496 L501 N502L494-T498 VanDerWaalsContact O-CB 3.28Å; L494-T498 WeakPolarHBondContact O-CB 3.46Å; L494-T498 PolarHBondContact O-N 3.24Å; L494-T498 PolarHBondContact O-OG1 3.34Å; K495-T498 PolarHBondContact O-N 3.4Å; L496-T498 VanDerWaalsContact C-N 3.28Å; L496-T498 PolarHBondContact O-N 2.81Å; T498-L501 PolarHBondContact O-N 3.28Å; T498-N502 VanDerWaalsContact CG2-ND2 3.33Å; T498-N502 WeakPolarHBondContact CG2-ND2 3.32Å; T498-N502 VanDerWaalsContact O-CB 3.31Å; T498-N502 WeakPolarHBondContact O-CB 3.44Å; T498-N502 PolarHBondContact O-N 3.3Å
499R58.1Low59.1Low145 Ų14565 Ų6555%0.54733%0.331SS..Hα-helixtrans-61.2-50.2175-76.6176.6-1761710.8111.7K495 L496 L501 N502 T503K495-R499 WeakPolarHBondContact O-CB 3.22Å; K495-R499 WeakPolarHBondContact O-CG 3.48Å; K495-R499 PolarHBondContact O-N 3.47Å; L496-R499 PolarHBondContact O-N 2.95Å; R499-L501 PolarHBondContact O-N 2.96Å; R499-L501 VanDerWaalsContact O-N 3.12Å; R499-N502 PolarHBondContact O-N 3.11Å; R499-T503 PolarHBondContact O-N 3.16Å; R499-T503 VanDerWaalsContact O-N 3.1Å; R499-T503 VanDerWaalsContact O-O 3.11Å
500V57.2Low57.4Low34 Ų3470.9 Ų70.921%0.20636%0.36CS..Hα-helixtrans-58.9-27.5178.31750000112.2I190 L496 L506 L509I190-V500 HydrophobicContact CB-CG1 4.45Å; I190-V500 HydrophobicContact CD1-CG1 3.75Å; I190-V500 HydrophobicContact CG2-CG1 3.98Å; L496-V500 VanDerWaalsContact O-CG2 3.3Å; L496-V500 WeakPolarHBondContact O-CG2 3.31Å; L496-V500 PolarHBondContact O-N 3.24Å; V500-L506 HydrophobicContact CG1-CD2 4.26Å; V500-L506 HydrophobicContact CG2-CD2 4.23Å; V500-L509 HydrophobicContact CG2-CD1 4.19Å; V500-L509 HydrophobicContact CG2-CD2 4.45Å
501L61.6Low55.7Low32 Ų3276.4 Ų76.417%0.16839%0.389CS..Hα-helixtrans-97.4-26.6-174.6-68.4163.9000114.8P189 I190 R244 A497 T498 R499P189-L501 HydrophobicContact CG-CD2 3.58Å; I190-L501 HydrophobicContact CB-CD2 4.04Å; I190-L501 HydrophobicContact CD1-CD2 3.77Å; I190-L501 HydrophobicContact CG1-CD2 3.93Å; R244-L501 VanDerWaalsContact NH1-CD1 3.25Å; A497-L501 VanDerWaalsContact O-CB 3.32Å; A497-L501 WeakPolarHBondContact O-CB 3.37Å; A497-L501 WeakPolarHBondContact O-CD1 3.4Å; A497-L501 WeakPolarHBondContact O-CG 3.31Å; A497-L501 PolarHBondContact O-N 2.94Å; T498-L501 PolarHBondContact O-N 3.28Å; R499-L501 PolarHBondContact O-N 2.96Å; R499-L501 VanDerWaalsContact O-N 3.12Å
502N57.3Low54.1Low82 Ų8276.8 Ų76.844%0.43939%0.394SS..Hα-helixtrans-100.8-19-176.1-71-6000113T498 R499T498-N502 VanDerWaalsContact CG2-ND2 3.33Å; T498-N502 WeakPolarHBondContact CG2-ND2 3.32Å; T498-N502 VanDerWaalsContact O-CB 3.31Å; T498-N502 WeakPolarHBondContact O-CB 3.44Å; T498-N502 PolarHBondContact O-N 3.3Å; R499-N502 PolarHBondContact O-N 3.11Å
503T50Low52.8Low62 Ų6275.4 Ų75.438%0.3839%0.388SS..  trans-141.5132.7-174.1-37.90000109.4R499 D505R499-T503 PolarHBondContact O-N 3.16Å; R499-T503 VanDerWaalsContact O-N 3.1Å; R499-T503 VanDerWaalsContact O-O 3.11Å; T503-D505 HydrophobicContact CG2-CB 3.76Å; T503-D505 WeakPolarHBondContact CG2-OD2 3.33Å; T503-D505 PolarHBondContact O-N 3.14Å
504T46.1Very low51.7Low57 Ų5776.3 Ų76.335%0.3540%0.397SS..SBendtrans-5858.4152.849.60000110.4D231 A235D231-T504 WeakPolarHBondContact CB-O 3.47Å; D231-T504 WeakPolarHBondContact O-CB 3.36Å; D231-T504 WeakPolarHBondContact O-CG2 3.28Å; A235-T504 HydrophobicContact CB-CG2 3.13Å
505D40.2Very low50.4Low75 Ų7579.1 Ų79.140%0.40141%0.407SS..  trans-14281.1175.5-89.8-51.7000107.6D231 T503 N507D231-D505 WeakPolarHBondContact OD2-CA 3.43Å; T503-D505 HydrophobicContact CG2-CB 3.76Å; T503-D505 WeakPolarHBondContact CG2-OD2 3.33Å; T503-D505 PolarHBondContact O-N 3.14Å; D505-N507 PolarHBondContact O-N 3.07Å; D505-N507 PolarHBondContact OD1-ND2 3.49Å
506L47.1Very low49.5Very low25 Ų2578 Ų7813%0.13141%0.41CS..  trans-77.528.2175.1-64.6-175.3000112.3D231 M234 V500 N508 L509D231-L506 WeakPolarHBondContact OD1-CB 3.48Å; D231-L506 WeakPolarHBondContact OD1-CD1 3.42Å; D231-L506 WeakPolarHBondContact OD1-CG 3.48Å; D231-L506 PolarHBondContact OD2-N 3.35Å; M234-L506 HydrophobicContact CE-CD1 3.29Å; M234-L506 HydrophobicContact CE-CG 4.47Å; M234-L506 HydrophobicContact SD-CD1 3.92Å; V500-L506 HydrophobicContact CG1-CD2 4.26Å; V500-L506 HydrophobicContact CG2-CD2 4.23Å; L506-N508 VanDerWaalsContact C-N 3.25Å; L506-N508 PolarHBondContact O-N 3.13Å; L506-L509 HydrophobicContact CB-CD1 3.73Å; L506-L509 HydrophobicContact CD2-CD1 3.47Å; L506-L509 VanDerWaalsContact CD2-CD1 3.47Å; L506-L509 HydrophobicContact CG-CD1 4.07Å
507N38.9Very low49.1Very low54 Ų5476 Ų7629%0.28940%0.398SS..THydrogen-bonded Turntrans-741.6-158.5-93-40.7000116.1K227 D505K227-N507 VanDerWaalsContact CB-OD1 3.24Å; K227-N507 WeakPolarHBondContact CB-OD1 3.44Å; K227-N507 WeakPolarHBondContact CD-OD1 3.42Å; D505-N507 PolarHBondContact O-N 3.07Å; D505-N507 PolarHBondContact OD1-ND2 3.49Å
508N41.4Very low48.7Very low129 Ų12977.4 Ų77.469%0.6941%0.405SS*.THydrogen-bonded Turntrans-152.438.9176.2-84.9-33.9000114.9L506 E510L506-N508 VanDerWaalsContact C-N 3.25Å; L506-N508 PolarHBondContact O-N 3.13Å; N508-E510 VanDerWaalsContact C-N 3.28Å; N508-E510 PolarHBondContact O-N 2.85Å
509L42.7Very low48.3Very low79 Ų7975.9 Ų75.941%0.41439%0.394SS..  trans-76.675.5172.7-83129.2000111.7V500 L506V500-L509 HydrophobicContact CG2-CD1 4.19Å; V500-L509 HydrophobicContact CG2-CD2 4.45Å; L506-L509 HydrophobicContact CB-CD1 3.73Å; L506-L509 HydrophobicContact CD2-CD1 3.47Å; L506-L509 VanDerWaalsContact CD2-CD1 3.47Å; L506-L509 HydrophobicContact CG-CD1 4.07Å
510E39.4Very low48.5Very low167 Ų16774.2 Ų74.278%0.7840%0.396SS*.  trans-75.1132.4156.8-74.3-170163.700109.6N508 N512N508-E510 VanDerWaalsContact C-N 3.28Å; N508-E510 PolarHBondContact O-N 2.85Å; E510-N512 PolarHBondContact O-N 3.24Å
511N42.4Very low48.8Very low121 Ų12175 Ų7565%0.64740%0.398SS*.SBendtrans-64.547.8-167.6-67.6-56.3000116.5
512N42Very low48.9Very low87 Ų8773.7 Ų73.747%0.46539%0.391SS..  trans-100.223.5177-75.6-14.8000113.5E510E510-N512 PolarHBondContact O-N 3.24Å
513T44.4Very low49.3Very low53 Ų5370.4 Ų70.433%0.32537%0.373SS..SBendtrans-77121.5178.452.30000110.4N192 K515N192-T513 WeakPolarHBondContact O-CB 3.5Å; N192-T513 VanDerWaalsContact O-CG2 3.3Å; N192-T513 WeakPolarHBondContact O-CG2 3.38Å; N192-T513 PolarHBondContact O-OG1 2.84Å; N192-T513 VanDerWaalsContact O-OG1 3.12Å; T513-K515 VanDerWaalsContact C-N 3.26Å; T513-K515 PolarHBondContact O-N 2.99Å; T513-K515 VanDerWaalsContact O-N 3.13Å
514D46.6Very low50.1Low95 Ų9570.7 Ų70.751%0.50837%0.372SS..SBendtrans60.88.5177.1-78.4-8000119.5N192N192-D514 WeakPolarHBondContact CB-OD2 3.34Å; N192-D514 PolarHBondContact ND2-OD1 3.35Å; N192-D514 PolarHBondContact ND2-OD2 3.14Å; N192-D514 PolarHBondContact OD1-OD1 2.87Å
515K45.4Very low51.1Low124 Ų12468.1 Ų68.154%0.53936%0.356SS..  trans-66.6132.7167-71.6179.3-176.4166.40108.4T513 F517T513-K515 VanDerWaalsContact C-N 3.26Å; T513-K515 PolarHBondContact O-N 2.99Å; T513-K515 VanDerWaalsContact O-N 3.13Å; K515-F517 PolarHBondContact O-N 2.81Å
516P49.8Very low52.4Low77 Ų7764.7 Ų64.750%0.534%0.338SS..SBendtrans-48.4142.916023.7-31.8000106.9T518P516-T518 PolarHBondContact O-N 2.92Å; P516-T518 VanDerWaalsContact O-N 3.11Å
517F53.4Low53.4Low32 Ų3265.5 Ų65.514%0.1434%0.341CS..  trans-30.8122.6-174-73.6-106.5000110.5I305 F450 I486 R489 K515 L522 V525I305-F517 HydrophobicContact CD1-CD2 4.34Å; I305-F517 HydrophobicContact CD1-CE2 4.14Å; I305-F517 HydrophobicContact CD1-CZ 4.34Å; F450-F517 AromaticContact CD1-CE2 3.8Å; F450-F517 HydrophobicContact CD1-CE2 3.8Å; F450-F517 HydrophobicContact CD1-CZ 4.08Å; F450-F517 AromaticContact CE1-CE2 3.44Å; F450-F517 HydrophobicContact CE1-CE2 3.44Å; F450-F517 VanDerWaalsContact CE1-CE2 3.44Å; F450-F517 AromaticContact CE1-CZ 3.75Å; F450-F517 HydrophobicContact CE1-CZ 3.75Å; F450-F517 HydrophobicContact CZ-CE2 4.37Å; I486-F517 HydrophobicContact CG1-CZ 4.24Å; R489-F517 VanDerWaalsContact CZ-CE1 3.44Å; R489-F517 VanDerWaalsContact NE-CD1 3.34Å; R489-F517 VanDerWaalsContact NH1-CE1 3.31Å; K515-F517 PolarHBondContact O-N 2.81Å; F517-L522 HydrophobicContact CB-CB 4.44Å; F517-L522 HydrophobicContact CB-CD1 4.04Å; F517-L522 HydrophobicContact CB-CD2 3.23Å; F517-L522 HydrophobicContact CB-CG 3.27Å; F517-L522 HydrophobicContact CD1-CD2 3.82Å; F517-L522 HydrophobicContact CD1-CG 4.42Å; F517-L522 HydrophobicContact CD2-CD2 3.75Å; F517-L522 HydrophobicContact CG-CD2 3.38Å; F517-L522 HydrophobicContact CG-CG 3.98Å; F517-V525 HydrophobicContact CD1-CG2 4.48Å; F517-V525 HydrophobicContact CE1-CG2 4.08Å
518T54.9Low54.8Low43 Ų4364 Ų6426%0.26433%0.331SS..  trans-57.3151.8175.256.70000108P516 D520 E521 L522P516-T518 PolarHBondContact O-N 2.92Å; P516-T518 VanDerWaalsContact O-N 3.11Å; T518-D520 VanDerWaalsContact C-N 3.27Å; T518-D520 PolarHBondContact O-N 3.36Å; T518-E521 CarbonylContact O-C 3.6Å; T518-E521 WeakPolarHBondContact O-CA 3.26Å; T518-E521 WeakPolarHBondContact O-CB 3.5Å; T518-E521 PolarHBondContact O-N 2.91Å; T518-E521 WeakPolarHBondContact OG1-CB 3.43Å; T518-E521 WeakPolarHBondContact OG1-CG 3.28Å; T518-E521 PolarHBondContact OG1-OE1 3.41Å; T518-L522 PolarHBondContact O-N 3.18Å
519F56.4Low56Low20 Ų2057.9 Ų57.99%0.08830%0.299CS..Hα-helixtrans-59.5-40.7-169.3-173.4-118.2000113I288 I297 L301 E521 L522 N523I288-F519 HydrophobicContact CB-CD1 4.4Å; I288-F519 HydrophobicContact CB-CE1 3.63Å; I288-F519 HydrophobicContact CB-CE2 4.32Å; I288-F519 HydrophobicContact CB-CZ 3.62Å; I288-F519 HydrophobicContact CD1-CE2 4.44Å; I288-F519 HydrophobicContact CG1-CD1 4.36Å; I288-F519 HydrophobicContact CG1-CD2 4.18Å; I288-F519 HydrophobicContact CG1-CE1 3.71Å; I288-F519 HydrophobicContact CG1-CE2 3.45Å; I288-F519 VanDerWaalsContact CG1-CE2 3.45Å; I288-F519 HydrophobicContact CG1-CZ 3.23Å; I288-F519 HydrophobicContact CG2-CD1 3.8Å; I288-F519 HydrophobicContact CG2-CE1 3.45Å; I288-F519 VanDerWaalsContact CG2-CE1 3.45Å; I288-F519 HydrophobicContact CG2-CZ 3.96Å; I288-F519 WeakPolarHBondContact O-CE1 3.43Å; I297-F519 HydrophobicContact CG2-CE2 3.74Å; I297-F519 HydrophobicContact CG2-CZ 4.27Å; L301-F519 HydrophobicContact CD1-CD2 3.93Å; L301-F519 HydrophobicContact CD1-CE2 3.82Å; F519-E521 VanDerWaalsContact C-N 3.31Å; F519-E521 PolarHBondContact O-N 3.04Å; F519-L522 WeakPolarHBondContact O-CB 3.33Å; F519-L522 PolarHBondContact O-N 3.07Å; F519-N523 PolarHBondContact O-N 2.8Å; F519-N523 VanDerWaalsContact O-N 3.1Å
520D60.9Low57.3Low110 Ų11054.3 Ų54.359%0.58828%0.281SS*.Hα-helixtrans-66.5-37.6175.7-61.3-29.8000111.7T518 N523 N524T518-D520 VanDerWaalsContact C-N 3.27Å; T518-D520 PolarHBondContact O-N 3.36Å; D520-N523 WeakPolarHBondContact O-CB 3.48Å; D520-N523 PolarHBondContact O-N 2.9Å; D520-N524 VanDerWaalsContact O-CG 3.29Å; D520-N524 PolarHBondContact O-N 2.79Å
521E64Low58.6Low52 Ų5246.7 Ų46.724%0.24325%0.246CC..Hα-helixtrans-63.4-42.3174.8-93.8-172.3-132.300112.7R489 T518 F519 N523 V525R489-E521 IonicContact CZ-OE2 2.83Å; R489-E521 IonicContact NE-OE2 3.73Å; R489-E521 PolarHBondContact NE-OE2 3.37Å; R489-E521 VanDerWaalsContact NH2-CD 3.33Å; R489-E521 PolarHBondContact NH2-O 3.22Å; R489-E521 IonicContact NH2-OE2 3.42Å; R489-E521 PolarHBondContact NH2-OE2 2.91Å; T518-E521 CarbonylContact O-C 3.6Å; T518-E521 WeakPolarHBondContact O-CA 3.26Å; T518-E521 WeakPolarHBondContact O-CB 3.5Å; T518-E521 PolarHBondContact O-N 2.91Å; T518-E521 WeakPolarHBondContact OG1-CB 3.43Å; T518-E521 WeakPolarHBondContact OG1-CG 3.28Å; T518-E521 PolarHBondContact OG1-OE1 3.41Å; F519-E521 VanDerWaalsContact C-N 3.31Å; F519-E521 PolarHBondContact O-N 3.04Å; E521-N523 VanDerWaalsContact C-N 3.32Å; E521-V525 VanDerWaalsContact O-CG2 3.24Å; E521-V525 WeakPolarHBondContact O-CG2 3.47Å; E521-V525 PolarHBondContact O-N 2.88Å; E521-V525 VanDerWaalsContact O-N 3.14Å
522L63.7Low59.9Low4 Ų446.6 Ų46.62%0.02124%0.24CC..Hα-helixtrans-59.8-44.9171.5-73.5171000111L301 I305 F517 T518 F519 N524 V525 L526L301-L522 HydrophobicContact CB-CD1 3.98Å; L301-L522 HydrophobicContact CD1-CD1 3.87Å; I305-L522 HydrophobicContact CD1-CD2 3.13Å; I305-L522 HydrophobicContact CG1-CD2 4.45Å; F517-L522 HydrophobicContact CB-CB 4.44Å; F517-L522 HydrophobicContact CB-CD1 4.04Å; F517-L522 HydrophobicContact CB-CD2 3.23Å; F517-L522 HydrophobicContact CB-CG 3.27Å; F517-L522 HydrophobicContact CD1-CD2 3.82Å; F517-L522 HydrophobicContact CD1-CG 4.42Å; F517-L522 HydrophobicContact CD2-CD2 3.75Å; F517-L522 HydrophobicContact CG-CD2 3.38Å; F517-L522 HydrophobicContact CG-CG 3.98Å; T518-L522 PolarHBondContact O-N 3.18Å; F519-L522 WeakPolarHBondContact O-CB 3.33Å; F519-L522 PolarHBondContact O-N 3.07Å; L522-N524 PolarHBondContact O-N 3.4Å; L522-V525 PolarHBondContact O-N 2.95Å; L522-L526 WeakPolarHBondContact O-CG 3.4Å; L522-L526 PolarHBondContact O-N 3.18Å
523N65Low61.1Low12 Ų1243.6 Ų43.66%0.06422%0.224CC..Hα-helixtrans-62.1-45-178.4-163.813.7000111.2I288 F519 D520 E521 V525 L526 K527I288-N523 HydrophobicContact CD1-CB 4.4Å; I288-N523 HydrophobicContact CG2-CB 4.07Å; I288-N523 VanDerWaalsContact CG2-ND2 3.34Å; I288-N523 WeakPolarHBondContact CG2-ND2 3.45Å; F519-N523 PolarHBondContact O-N 2.8Å; F519-N523 VanDerWaalsContact O-N 3.1Å; D520-N523 WeakPolarHBondContact O-CB 3.48Å; D520-N523 PolarHBondContact O-N 2.9Å; E521-N523 VanDerWaalsContact C-N 3.32Å; N523-V525 VanDerWaalsContact C-N 3.33Å; N523-V525 PolarHBondContact O-N 3.34Å; N523-L526 PolarHBondContact O-N 3.37Å; N523-K527 PolarHBondContact ND2-NZ 3.15Å; N523-K527 WeakPolarHBondContact O-CB 3.37Å; N523-K527 VanDerWaalsContact O-CG 3.25Å; N523-K527 WeakPolarHBondContact O-CG 3.47Å; N523-K527 PolarHBondContact O-N 3.5Å; N523-K527 WeakPolarHBondContact OD1-CE 3.35Å
524N67.6Low62.1Low68 Ų6841.8 Ų41.836%0.36421%0.212SC..Hα-helixtrans-63.9-39.5178.2-69.5-12.8000112D520 L522 K527 F528D520-N524 VanDerWaalsContact O-CG 3.29Å; D520-N524 PolarHBondContact O-N 2.79Å; L522-N524 PolarHBondContact O-N 3.4Å; N524-K527 PolarHBondContact O-N 2.86Å; N524-F528 WeakPolarHBondContact O-CB 3.39Å; N524-F528 PolarHBondContact O-N 2.83Å
525V67.4Low63Low3 Ų341.7 Ų41.72%0.01821%0.211CC..Hα-helixtrans-64.4-40.7176.1165.80000112.8V482 A485 F517 E521 L522 N523V482-V525 HydrophobicContact CB-CG1 4.39Å; V482-V525 HydrophobicContact CG1-CG1 4.17Å; V482-V525 HydrophobicContact CG2-CG1 4.06Å; A485-V525 HydrophobicContact CB-CB 3.85Å; A485-V525 HydrophobicContact CB-CG1 3.3Å; A485-V525 HydrophobicContact CB-CG2 3.4Å; A485-V525 VanDerWaalsContact CB-CG2 3.4Å; F517-V525 HydrophobicContact CD1-CG2 4.48Å; F517-V525 HydrophobicContact CE1-CG2 4.08Å; E521-V525 VanDerWaalsContact O-CG2 3.24Å; E521-V525 WeakPolarHBondContact O-CG2 3.47Å; E521-V525 PolarHBondContact O-N 2.88Å; E521-V525 VanDerWaalsContact O-N 3.14Å; L522-V525 PolarHBondContact O-N 2.95Å; N523-V525 VanDerWaalsContact C-N 3.33Å; N523-V525 PolarHBondContact O-N 3.34Å
526L67Low63.6Low4 Ų439.5 Ų39.52%0.02121%0.209CC..Hα-helixtrans-73.4-31.3178.8-69.8171.7000112L278 F285 L301 L304 L308 V482 L522 N523 L530L278-L526 HydrophobicContact CD2-CD2 4.42Å; F285-L526 HydrophobicContact CE1-CB 3.66Å; F285-L526 HydrophobicContact CE1-CD1 3.84Å; F285-L526 HydrophobicContact CE1-CG 4.39Å; F285-L526 HydrophobicContact CZ-CB 4.06Å; F285-L526 HydrophobicContact CZ-CD1 4.26Å; L301-L526 HydrophobicContact CD2-CD1 3.81Å; L304-L526 HydrophobicContact CD2-CD1 4.03Å; L304-L526 HydrophobicContact CD2-CD2 4.04Å; L304-L526 HydrophobicContact CG-CD2 4.41Å; L308-L526 HydrophobicContact CD1-CD2 3.45Å; L308-L526 VanDerWaalsContact CD1-CD2 3.45Å; V482-L526 HydrophobicContact CG2-CD2 4.23Å; L522-L526 WeakPolarHBondContact O-CG 3.4Å; L522-L526 PolarHBondContact O-N 3.18Å; N523-L526 PolarHBondContact O-N 3.37Å; L526-L530 VanDerWaalsContact O-CD1 3.26Å; L526-L530 WeakPolarHBondContact O-CD1 3.27Å; L526-L530 VanDerWaalsContact O-CG 3.31Å; L526-L530 WeakPolarHBondContact O-CG 3.25Å
527K67.7Low63.6Low42 Ų4237.8 Ų37.818%0.18320%0.197CC..Hα-helixtrans-70.7-38.7175.7-77.7167172.9175.90112.3N523 N524 G529 L530 P603 D607 V611N523-K527 PolarHBondContact ND2-NZ 3.15Å; N523-K527 WeakPolarHBondContact O-CB 3.37Å; N523-K527 VanDerWaalsContact O-CG 3.25Å; N523-K527 WeakPolarHBondContact O-CG 3.47Å; N523-K527 PolarHBondContact O-N 3.5Å; N523-K527 WeakPolarHBondContact OD1-CE 3.35Å; N524-K527 PolarHBondContact O-N 2.86Å; K527-G529 PolarHBondContact O-N 3.21Å; K527-L530 WeakPolarHBondContact O-CB 3.06Å; K527-L530 VanDerWaalsContact O-CG 3.26Å; K527-L530 WeakPolarHBondContact O-CG 3.17Å; K527-L530 PolarHBondContact O-N 3.24Å; K527-P603 HydrophobicContact CB-CB 3.56Å; K527-P603 HydrophobicContact CB-CG 4.13Å; K527-P603 HydrophobicContact CD-CG 4.48Å; K527-D607 VanDerWaalsContact O-CB 3.29Å; K527-D607 WeakPolarHBondContact O-CB 3.18Å; K527-V611 HydrophobicContact CG-CG2 3.78Å
528F67.9Low63.3Low21 Ų2140.6 Ų40.69%0.09221%0.213CC..THydrogen-bonded Turntrans-55.9125.6-173.7178.2-100.2000113E484 N524 L530 F599 H600E484-F528 HydrophobicContact CB-CE1 4.26Å; E484-F528 WeakPolarHBondContact OE2-CE1 3.45Å; N524-F528 WeakPolarHBondContact O-CB 3.39Å; N524-F528 PolarHBondContact O-N 2.83Å; F528-L530 VanDerWaalsContact C-N 3.28Å; F528-L530 PolarHBondContact O-N 2.88Å; F528-F599 AromaticContact CE1-CE2 3.92Å; F528-F599 HydrophobicContact CE1-CE2 3.92Å; F528-F599 HydrophobicContact CE1-CZ 4.02Å; F528-F599 AromaticContact CZ-CE2 3.73Å; F528-F599 HydrophobicContact CZ-CE2 3.73Å; F528-F599 HydrophobicContact CZ-CZ 4.03Å; F528-H600 VanDerWaalsContact CE2-O 3.29Å; F528-H600 WeakPolarHBondContact CE2-O 3.5Å
529G67Low62.7Low2 Ų244.7 Ų44.72%0.02123%0.234CC..THydrogen-bonded Turntrans81-2.5173.600000115.7K527 A531 K532 L533 D607K527-G529 PolarHBondContact O-N 3.21Å; G529-A531 VanDerWaalsContact C-N 3.34Å; G529-A531 PolarHBondContact O-N 3.21Å; G529-K532 PolarHBondContact O-N 3.23Å; G529-L533 WeakPolarHBondContact O-CG 3.47Å; G529-L533 PolarHBondContact O-N 3.45Å; G529-L533 VanDerWaalsContact O-N 3.14Å; G529-D607 VanDerWaalsContact C-OD1 3.3Å; G529-D607 WeakPolarHBondContact CA-OD1 3.24Å; G529-D607 PolarHBondContact N-OD1 2.77Å; G529-D607 PolarHBondContact N-OD2 3.18Å
530L70.3Confident62.2Low4 Ų448.2 Ų48.22%0.02125%0.253CS..Hα-helixtrans-58.9-40.4-179.1-73.1179.2000113.4L278 L526 K527 F528 K532 L533 L534 D607 A610 V611L278-L530 HydrophobicContact CD1-CD2 3.29Å; L278-L530 HydrophobicContact CD2-CD2 4.48Å; L278-L530 HydrophobicContact CG-CD2 4.44Å; L526-L530 VanDerWaalsContact O-CD1 3.26Å; L526-L530 WeakPolarHBondContact O-CD1 3.27Å; L526-L530 VanDerWaalsContact O-CG 3.31Å; L526-L530 WeakPolarHBondContact O-CG 3.25Å; K527-L530 WeakPolarHBondContact O-CB 3.06Å; K527-L530 VanDerWaalsContact O-CG 3.26Å; K527-L530 WeakPolarHBondContact O-CG 3.17Å; K527-L530 PolarHBondContact O-N 3.24Å; F528-L530 VanDerWaalsContact C-N 3.28Å; F528-L530 PolarHBondContact O-N 2.88Å; L530-K532 VanDerWaalsContact C-N 3.34Å; L530-K532 PolarHBondContact O-N 2.91Å; L530-L533 PolarHBondContact O-N 3.27Å; L530-L534 WeakPolarHBondContact O-CG 3.27Å; L530-L534 PolarHBondContact O-N 3.4Å; L530-D607 PolarHBondContact N-OD1 2.76Å; L530-A610 HydrophobicContact CB-CB 4.09Å; L530-V611 HydrophobicContact CD1-CG2 3.32Å
531A66.5Low61.3Low7 Ų748.3 Ų48.36%0.05826%0.258CS..Hα-helixtrans-62.7-43.6-178.400000111.8G529 L534 N535 A606 D607 A610G529-A531 VanDerWaalsContact C-N 3.34Å; G529-A531 PolarHBondContact O-N 3.21Å; A531-L534 PolarHBondContact O-N 3.13Å; A531-N535 WeakPolarHBondContact O-CB 3.18Å; A531-N535 PolarHBondContact O-N 2.95Å; A531-N535 PolarHBondContact O-ND2 2.94Å; A531-N535 PolarHBondContact O-OD1 2.65Å; A531-A606 VanDerWaalsContact CB-C 3.48Å; A531-A606 HydrophobicContact CB-CB 3.68Å; A531-A606 WeakPolarHBondContact CB-O 3.43Å; A531-D607 VanDerWaalsContact CB-OD1 3.29Å; A531-D607 WeakPolarHBondContact CB-OD1 3.31Å; A531-D607 PolarHBondContact N-OD1 3.41Å; A531-A610 HydrophobicContact CB-CB 4.14Å
532K69Low59.9Low119 Ų11952.7 Ų52.752%0.51728%0.283SS..Hα-helixtrans-63.9-44.6176.7-73.1-177.9174.2179.30110.9H480 G529 L530 L534 N535 T536H480-K532 PolarHBondContact CE1-NZ 3.46Å; H480-K532 VanDerWaalsContact CE1-NZ 3.34Å; H480-K532 VanDerWaalsContact NE2-CD 3.27Å; H480-K532 WeakPolarHBondContact NE2-CD 3.29Å; H480-K532 PolarHBondContact NE2-NZ 3.44Å; G529-K532 PolarHBondContact O-N 3.23Å; L530-K532 VanDerWaalsContact C-N 3.34Å; L530-K532 PolarHBondContact O-N 2.91Å; K532-L534 VanDerWaalsContact C-N 3.31Å; K532-L534 PolarHBondContact O-N 2.83Å; K532-N535 PolarHBondContact O-N 3.33Å; K532-T536 PolarHBondContact O-N 3.38Å; K532-T536 PolarHBondContact O-OG1 2.97Å
533L67.4Low58.3Low24 Ų2459.3 Ų59.313%0.12632%0.318CS..Hα-helixtrans-62.3-35.2177.8-70.4177.5000113.3L266 Y274 H480 G529 L530L266-L533 HydrophobicContact CD1-CD2 3.93Å; Y274-L533 HydrophobicContact CD1-CD1 3.78Å; Y274-L533 HydrophobicContact CE1-CD1 3.61Å; H480-L533 WeakPolarHBondContact O-CD1 3.34Å; G529-L533 WeakPolarHBondContact O-CG 3.47Å; G529-L533 PolarHBondContact O-N 3.45Å; G529-L533 VanDerWaalsContact O-N 3.14Å; L530-L533 PolarHBondContact O-N 3.27Å
534L67.1Low56.6Low15 Ų1564.5 Ų64.58%0.07935%0.346CS..Hα-helixtrans-76.8-37.4177.1-67.4-179.2000112.5R275 L530 A531 K532 T536 T537 A610 L614R275-L534 HydrophobicContact CG-CD2 4.19Å; L530-L534 WeakPolarHBondContact O-CG 3.27Å; L530-L534 PolarHBondContact O-N 3.4Å; A531-L534 PolarHBondContact O-N 3.13Å; K532-L534 VanDerWaalsContact C-N 3.31Å; K532-L534 PolarHBondContact O-N 2.83Å; L534-T536 PolarHBondContact O-N 2.83Å; L534-T537 PolarHBondContact O-N 2.96Å; L534-T537 PolarHBondContact O-OG1 3.17Å; L534-T537 VanDerWaalsContact O-OG1 3.04Å; L534-A610 HydrophobicContact CD1-CB 3.61Å; L534-L614 HydrophobicContact CD1-CD1 4.2Å; L534-L614 HydrophobicContact CD1-CD2 4.45Å; L534-L614 HydrophobicContact CD1-CG 4.04Å; L534-L614 HydrophobicContact CD2-CD2 4.22Å
535N63.5Low54.8Low92 Ų9268.2 Ų68.249%0.49237%0.366SS..Hα-helixtrans-71.9-29.1-177.4-69.7-11.7000113A531 K532 T537 D538A531-N535 WeakPolarHBondContact O-CB 3.18Å; A531-N535 PolarHBondContact O-N 2.95Å; A531-N535 PolarHBondContact O-ND2 2.94Å; A531-N535 PolarHBondContact O-OD1 2.65Å; K532-N535 PolarHBondContact O-N 3.33Å; N535-T537 PolarHBondContact O-N 3.07Å; N535-D538 PolarHBondContact O-N 3.48Å
536T58.5Low53Low79 Ų7976.4 Ų76.449%0.48540%0.404SS..Hα-helixtrans-62.3-22.9177.8-47.10000112.6K532 L534K532-T536 PolarHBondContact O-N 3.38Å; K532-T536 PolarHBondContact O-OG1 2.97Å; L534-T536 PolarHBondContact O-N 2.83Å
537T50.2Low51.3Low40 Ų4081.7 Ų81.725%0.24543%0.432CS..Hα-helixtrans-88.8-20.9-18058.70000114.5T271 R275 L534 N535 V541T271-T537 HydrophobicContact CG2-CG2 4.13Å; R275-T537 PolarHBondContact NH1-OG1 3.31Å; L534-T537 PolarHBondContact O-N 2.96Å; L534-T537 PolarHBondContact O-OG1 3.17Å; L534-T537 VanDerWaalsContact O-OG1 3.04Å; N535-T537 PolarHBondContact O-N 3.07Å; T537-V541 WeakPolarHBondContact O-CG2 3.13Å
538D47.6Very low49.7Very low92 Ų9288.2 Ų88.249%0.49247%0.469SS..Hα-helixtrans-88.2-19.1-173.4-69-3.7000112.2N535 K613N535-D538 PolarHBondContact O-N 3.48Å; D538-K613 IonicContact OD2-NZ 2.77Å
539N42.3Very low48.2Very low129 Ų12993.6 Ų93.669%0.6949%0.492SS*.Hα-helixtrans-106.9-16.6-177.5-69.4-34.4000115.4
540D44.8Very low47Very low93 Ų93101.7 Ų101.750%0.49753%0.527SS..SBendtrans-100.110.4-173.3-78.3-38.2000114.7N544D540-N544 PolarHBondContact OD1-ND2 2.89Å
541V42.2Very low45.9Very low113 Ų113103.8 Ų103.869%0.68554%0.54SS*.SBendtrans-89.4-19.8-178.8-179.10000113.1T537T537-V541 WeakPolarHBondContact O-CG2 3.13Å
542D35.2Very low45Very low144 Ų144109.6 Ų109.677%0.7757%0.57SS**SBendtrans-123.7-0.7-172.2-72.3-33.5000117
543N29.3Very low44.4Very low143 Ų143105.6 Ų105.677%0.76555%0.554SS**  trans-145.548.9-171.5-84.6-38000117.1
544N30.5Very low44.1Very low120 Ų120108 Ų10864%0.64257%0.567SS**  trans-134.966.8168.4-72.5-45.8000112.4D540D540-N544 PolarHBondContact OD1-ND2 2.89Å
545N28.9Very low44.2Very low146 Ų146107.9 Ų107.978%0.78157%0.566SS**  trans-82.6132.6141.4-73.7-46.1000105.8
546E29.5Very low44.1Very low176 Ų176105.4 Ų105.482%0.82255%0.554SS**SBendtrans87.383.5179.1-50.3-179.7170.100115.9
547D31.8Very low44.2Very low115 Ų115107.4 Ų107.462%0.61556%0.558SS**  173.877.8129.9-89.2-19.7000111.4K549D547-K549 HydrophobicContact CB-CD 4.36Å; D547-K549 HydrophobicContact CB-CG 4.29Å; D547-K549 PolarHBondContact O-N 3.47Å; D547-K549 IonicContact OD1-NZ 2.8Å; D547-K549 WeakPolarHBondContact OD2-CE 3.38Å; D547-K549 IonicContact OD2-NZ 3.54Å; D547-K549 PolarHBondContact OD2-NZ 3.47Å
548D35.2Very low44.9Very low178 Ų178106.4 Ų106.495%0.95255%0.551SS**  trans-68.553.6157.2-96.9-21.7000109.9K550D548-K550 VanDerWaalsContact C-N 3.35Å; D548-K550 PolarHBondContact O-N 3.4Å
549K36.3Very low45.8Very low134 Ų134102.1 Ų102.158%0.58353%0.528SS*.  trans-70.896.7170.6-79.3174.1-178.8148.60107.3D547 V551D547-K549 HydrophobicContact CB-CD 4.36Å; D547-K549 HydrophobicContact CB-CG 4.29Å; D547-K549 PolarHBondContact O-N 3.47Å; D547-K549 IonicContact OD1-NZ 2.8Å; D547-K549 WeakPolarHBondContact OD2-CE 3.38Å; D547-K549 IonicContact OD2-NZ 3.54Å; D547-K549 PolarHBondContact OD2-NZ 3.47Å; K549-V551 PolarHBondContact O-N 3.29Å
550K41.2Very low46.9Very low172 Ų17296.1 Ų96.175%0.74850%0.497SS*.  trans-39.1113.1162.9-84.3179.9176.9177.60108D548 N552D548-K550 VanDerWaalsContact C-N 3.35Å; D548-K550 PolarHBondContact O-N 3.4Å; K550-N552 VanDerWaalsContact C-N 3.29Å; K550-N552 PolarHBondContact O-N 2.83Å
551V47.2Very low47.9Very low48 Ų4897.6 Ų97.629%0.29150%0.501SS..  trans-64.291.9176.6170.40000107.6K549 L553K549-V551 PolarHBondContact O-N 3.29Å; V551-L553 VanDerWaalsContact C-N 3.27Å; V551-L553 HydrophobicContact CG1-CD1 4Å; V551-L553 HydrophobicContact CG1-CD2 4.22Å; V551-L553 HydrophobicContact CG1-CG 3.62Å; V551-L553 PolarHBondContact O-N 3.48Å; V551-L553 VanDerWaalsContact O-N 3.07Å
552N46.3Very low49.2Very low129 Ų12992.6 Ų92.669%0.6947%0.47SS*.  trans-81.178173.4-92-9.8000108.2K550 N554K550-N552 VanDerWaalsContact C-N 3.29Å; K550-N552 PolarHBondContact O-N 2.83Å; N552-N554 PolarHBondContact O-N 3.25Å
553L57.9Low50.6Low36 Ų3687.9 Ų87.919%0.18845%0.445CS..  trans-70.6111.4167.6-70.5170.8000108.4L341 L344 V551 F555 V592L341-L553 HydrophobicContact CD1-CD1 4.24Å; L344-L553 HydrophobicContact CD1-CD1 3.87Å; V551-L553 VanDerWaalsContact C-N 3.27Å; V551-L553 HydrophobicContact CG1-CD1 4Å; V551-L553 HydrophobicContact CG1-CD2 4.22Å; V551-L553 HydrophobicContact CG1-CG 3.62Å; V551-L553 PolarHBondContact O-N 3.48Å; V551-L553 VanDerWaalsContact O-N 3.07Å; L553-F555 VanDerWaalsContact C-N 3.31Å; L553-F555 HydrophobicContact CB-CD2 4.17Å; L553-F555 HydrophobicContact CB-CE2 3.75Å; L553-F555 HydrophobicContact CB-CZ 4.02Å; L553-F555 HydrophobicContact CD1-CE2 4.26Å; L553-F555 HydrophobicContact CD1-CZ 3.83Å; L553-F555 PolarHBondContact O-N 3.48Å; L553-V592 HydrophobicContact CD1-CG2 3.68Å; L553-V592 HydrophobicContact CD2-CB 3.64Å; L553-V592 HydrophobicContact CD2-CG2 3.38Å; L553-V592 HydrophobicContact CG-CG2 4.18Å
554N60.7Low52.3Low74 Ų7488 Ų8840%0.39644%0.441SS..  trans-82.780.1174.6-1601.7000109.9N552 T556 Q557 I558N552-N554 PolarHBondContact O-N 3.25Å; N554-T556 VanDerWaalsContact CG-OG1 3.28Å; N554-T556 PolarHBondContact O-N 3.29Å; N554-T556 VanDerWaalsContact O-N 3.09Å; N554-T556 PolarHBondContact OD1-OG1 3.1Å; N554-Q557 HydrophobicContact CB-CG 4.35Å; N554-Q557 PolarHBondContact ND2-NE2 3.49Å; N554-Q557 PolarHBondContact O-N 2.9Å; N554-I558 PolarHBondContact O-N 3.35Å
555F68.5Low53.6Low12 Ų1291.2 Ų91.25%0.05345%0.452CS..Hα-helixtrans-57.8-23.2179.4-71.4-76.1000113.2L341 L344 L345 F348 L553 Q557 I558 L559L341-F555 HydrophobicContact CD1-CE1 4.38Å; L341-F555 HydrophobicContact CD1-CZ 4.27Å; L344-F555 HydrophobicContact CB-CE2 3.72Å; L344-F555 HydrophobicContact CB-CZ 3.76Å; L345-F555 HydrophobicContact CB-CE1 4.12Å; L345-F555 HydrophobicContact CB-CZ 4.27Å; L345-F555 HydrophobicContact CD1-CE1 4.34Å; F348-F555 HydrophobicContact CB-CB 4.25Å; F348-F555 HydrophobicContact CB-CD2 4.08Å; F348-F555 HydrophobicContact CB-CG 4.28Å; F348-F555 HydrophobicContact CD1-CB 3.57Å; F348-F555 HydrophobicContact CD1-CG 4.28Å; F348-F555 HydrophobicContact CD2-CB 3.78Å; F348-F555 HydrophobicContact CE1-CB 3.75Å; F348-F555 HydrophobicContact CE2-CB 3.97Å; F348-F555 HydrophobicContact CG-CB 3.57Å; F348-F555 HydrophobicContact CG-CD2 4.29Å; F348-F555 HydrophobicContact CG-CG 4.13Å; F348-F555 HydrophobicContact CZ-CB 3.95Å; L553-F555 VanDerWaalsContact C-N 3.31Å; L553-F555 HydrophobicContact CB-CD2 4.17Å; L553-F555 HydrophobicContact CB-CE2 3.75Å; L553-F555 HydrophobicContact CB-CZ 4.02Å; L553-F555 HydrophobicContact CD1-CE2 4.26Å; L553-F555 HydrophobicContact CD1-CZ 3.83Å; L553-F555 PolarHBondContact O-N 3.48Å; F555-Q557 VanDerWaalsContact C-N 3.25Å; F555-Q557 PolarHBondContact O-N 3.31Å; F555-I558 PolarHBondContact O-N 3.34Å; F555-L559 HydrophobicContact CB-CD1 4.32Å; F555-L559 HydrophobicContact CD1-CD1 4.15Å; F555-L559 WeakPolarHBondContact O-CB 3.4Å; F555-L559 PolarHBondContact O-N 3.18Å
556T61.5Low55.3Low41 Ų4187.6 Ų87.625%0.25244%0.435SS..Hα-helixtrans-60.4-35.317365.80000112.3F348 N554 G560F348-T556 HydrophobicContact CE2-CG2 3.63Å; F348-T556 HydrophobicContact CZ-CG2 3.88Å; N554-T556 VanDerWaalsContact CG-OG1 3.28Å; N554-T556 PolarHBondContact O-N 3.29Å; N554-T556 VanDerWaalsContact O-N 3.09Å; N554-T556 PolarHBondContact OD1-OG1 3.1Å; T556-G560 CarbonylContact O-C 3.58Å; T556-G560 WeakPolarHBondContact O-CA 3.25Å; T556-G560 PolarHBondContact O-N 3.02Å; T556-G560 VanDerWaalsContact O-N 3.09Å
557Q60.9Low57.2Low121 Ų12179.9 Ų79.957%0.56540%0.403SS*.Hα-helixtrans-77.7-34.5175.9-67176.6-11.200111.7N554 F555 T576N554-Q557 HydrophobicContact CB-CG 4.35Å; N554-Q557 PolarHBondContact ND2-NE2 3.49Å; N554-Q557 PolarHBondContact O-N 2.9Å; F555-Q557 VanDerWaalsContact C-N 3.25Å; F555-Q557 PolarHBondContact O-N 3.31Å; Q557-T576 WeakPolarHBondContact O-CG2 3.34Å
558I64.3Low59.4Low18 Ų1877.3 Ų77.39%0.09239%0.387CS..Hα-helixtrans-78.6-48.4-175.4-64165.9000111.8I262 N554 F555 V592 L594I262-I558 HydrophobicContact CD1-CG2 4.41Å; N554-I558 PolarHBondContact O-N 3.35Å; F555-I558 PolarHBondContact O-N 3.34Å; I558-V592 HydrophobicContact CD1-CG1 3.81Å; I558-L594 HydrophobicContact CB-CD1 4.42Å; I558-L594 HydrophobicContact CG1-CD1 4.2Å; I558-L594 HydrophobicContact CG2-CD1 4.12Å
559L67.2Low61.4Low2 Ų269.2 Ų69.21%0.0134%0.343CS..Hα-helixtrans-95.9-16.6-175.3-60.6176000112.6I260 L345 F348 L349 R472 V474 F555 W569I260-L559 HydrophobicContact CD1-CD2 3.71Å; L345-L559 HydrophobicContact CD1-CD1 4.37Å; L345-L559 HydrophobicContact CG-CD1 4.47Å; F348-L559 HydrophobicContact CD1-CD1 3.86Å; F348-L559 HydrophobicContact CE1-CB 4.39Å; F348-L559 HydrophobicContact CE1-CD1 3.92Å; L349-L559 HydrophobicContact CD2-CD1 4.5Å; R472-L559 PolarHBondContact NE-O 3.01Å; R472-L559 PolarHBondContact NH2-O 3.22Å; V474-L559 HydrophobicContact CG2-CD2 3.84Å; F555-L559 HydrophobicContact CB-CD1 4.32Å; F555-L559 HydrophobicContact CD1-CD1 4.15Å; F555-L559 WeakPolarHBondContact O-CB 3.4Å; F555-L559 PolarHBondContact O-N 3.18Å; L559-W569 HydrophobicContact CB-CH2 3.94Å; L559-W569 HydrophobicContact CB-CZ3 3.81Å; L559-W569 HydrophobicContact CD1-CH2 4.21Å
560G64.8Low63Low3 Ų365.9 Ų65.93%0.03133%0.332CS..  trans95.2164.9-170.700000112.3T556 W569T556-G560 CarbonylContact O-C 3.58Å; T556-G560 WeakPolarHBondContact O-CA 3.25Å; T556-G560 PolarHBondContact O-N 3.02Å; T556-G560 VanDerWaalsContact O-N 3.09Å; G560-W569 WeakPolarHBondContact O-CZ3 3.22Å
561E67.5Low64.1Low125 Ų12562.8 Ų62.858%0.58433%0.329SS*.PPolyproline II helixtrans-74.4151.9175.1-69175.8-176.900110.9L570E561-L570 HydrophobicContact CB-CD1 3.88Å; E561-L570 WeakPolarHBondContact O-CB 3.31Å; E561-L570 PolarHBondContact O-N 2.77Å
562T67.8Low64.9Low8 Ų862.6 Ų62.65%0.04933%0.326CS..BIsolated β-bridgetrans-101.2130.4171-53.90000107.8P352 V369 H370 H564P352-T562 HydrophobicContact CG-CG2 4.17Å; V369-T562 HydrophobicContact CG1-CG2 4.06Å; H370-T562 WeakPolarHBondContact NE2-CG2 3.32Å; H370-T562 PolarHBondContact NE2-OG1 2.94Å; T562-H564 PolarHBondContact O-N 2.71Å
563D65.9Low65.3Low45 Ų4559.6 Ų59.624%0.24131%0.314CS..PPolyproline II helixtrans-61.8121173.3178.69000109.6E565 T566 G567 H568 L570D563-E565 PolarHBondContact O-N 3Å; D563-E565 PolarHBondContact OD1-N 3.45Å; D563-E565 VanDerWaalsContact OD1-N 3.11Å; D563-T566 WeakPolarHBondContact CB-OG1 3.43Å; D563-T566 VanDerWaalsContact CG-OG1 3.27Å; D563-T566 WeakPolarHBondContact OD2-CB 3.35Å; D563-T566 VanDerWaalsContact OD2-CG2 3.26Å; D563-T566 WeakPolarHBondContact OD2-CG2 3.36Å; D563-T566 PolarHBondContact OD2-OG1 2.99Å; D563-G567 WeakPolarHBondContact O-CA 3.37Å; D563-G567 PolarHBondContact O-N 2.59Å; D563-H568 PolarHBondContact N-O 3.04Å; D563-L570 HydrophobicContact CB-CD2 3.95Å; D563-L570 HydrophobicContact CB-CG 4.08Å
564H63.9Low64.8Low146 Ų14662.7 Ų62.768%0.67634%0.336SS*.THydrogen-bonded Turntrans-65-25-176.8-62.7-59.2000113N353 T562N353-H564 VanDerWaalsContact CG-ND1 3.35Å; N353-H564 PolarHBondContact OD1-CE1 3.41Å; N353-H564 VanDerWaalsContact OD1-CE1 3.3Å; N353-H564 PolarHBondContact OD1-ND1 3.02Å; T562-H564 PolarHBondContact O-N 2.71Å
565E59.2Low63.9Low186 Ų18662.4 Ų62.487%0.86934%0.339SS*.THydrogen-bonded Turntrans-88.3-43.7-179.1-65.1-171.9175.200112.5D563D563-E565 PolarHBondContact O-N 3Å; D563-E565 PolarHBondContact OD1-N 3.45Å; D563-E565 VanDerWaalsContact OD1-N 3.11Å
566T64.7Low62.9Low70 Ų7063.7 Ų63.743%0.42935%0.349SS..THydrogen-bonded Turntrans-97.2-16.7-174.264.60000114.1D563 H568D563-T566 WeakPolarHBondContact CB-OG1 3.43Å; D563-T566 VanDerWaalsContact CG-OG1 3.27Å; D563-T566 WeakPolarHBondContact OD2-CB 3.35Å; D563-T566 VanDerWaalsContact OD2-CG2 3.26Å; D563-T566 WeakPolarHBondContact OD2-CG2 3.36Å; D563-T566 PolarHBondContact OD2-OG1 2.99Å; T566-H568 PolarHBondContact O-CE1 3.06Å; T566-H568 PolarHBondContact O-N 2.85Å; T566-H568 PolarHBondContact O-ND1 2.88Å; T566-H568 WeakPolarHBondContact OG1-CB 3.47Å; T566-H568 PolarHBondContact OG1-N 3.28Å
567G69.4Low62.2Low15 Ų1566 Ų6616%0.15536%0.358CS..  trans63.427.7-171.900000112.5H370 D563H370-G567 PolarHBondContact CE1-O 3.41Å; D563-G567 WeakPolarHBondContact O-CA 3.37Å; D563-G567 PolarHBondContact O-N 2.59Å
568H77.7Confident61.2Low60 Ų6066.5 Ų66.528%0.27837%0.365SS..  trans-104.5149.6178.7-63.8-13.4000110.6P470 D563 T566 L570P470-H568 HydrophobicContact CG-CB 4.5Å; D563-H568 PolarHBondContact N-O 3.04Å; T566-H568 PolarHBondContact O-CE1 3.06Å; T566-H568 PolarHBondContact O-N 2.85Å; T566-H568 PolarHBondContact O-ND1 2.88Å; T566-H568 WeakPolarHBondContact OG1-CB 3.47Å; T566-H568 PolarHBondContact OG1-N 3.28Å; H568-L570 PolarHBondContact O-N 2.92Å
569W77Confident59.8Low8 Ų869.8 Ų69.83%0.0338%0.383CS..BIsolated β-bridgetrans-62.9130.5172.2-61.2103.4000110.7F348 L349 H370 P470 R472 L559 G560F348-W569 AromaticContact CE1-CH2 3.96Å; F348-W569 HydrophobicContact CE1-CH2 3.96Å; F348-W569 HydrophobicContact CE1-CZ3 4.1Å; L349-W569 HydrophobicContact CD2-CH2 3.53Å; L349-W569 HydrophobicContact CD2-CZ2 3.37Å; H370-W569 AromaticContact CD2-CZ2 3.85Å; H370-W569 AromaticContact CE1-CE2 3.67Å; H370-W569 AromaticContact CE1-NE1 3.72Å; H370-W569 AromaticContact ND1-CE2 3.91Å; H370-W569 AromaticContact ND1-NE1 3.66Å; H370-W569 AromaticContact NE2-CE2 3.9Å; H370-W569 AromaticContact NE2-CZ2 3.83Å; P470-W569 HydrophobicContact CB-CB 4.26Å; P470-W569 HydrophobicContact CG-CB 3.76Å; P470-W569 WeakPolarHBondContact CG-O 3.45Å; R472-W569 HydrophobicContact CG-CD2 3.87Å; R472-W569 HydrophobicContact CG-CG 3.96Å; R472-W569 HydrophobicContact CG-CZ2 4.24Å; L559-W569 HydrophobicContact CB-CH2 3.94Å; L559-W569 HydrophobicContact CB-CZ3 3.81Å; L559-W569 HydrophobicContact CD1-CH2 4.21Å; G560-W569 WeakPolarHBondContact O-CZ3 3.22Å
570L70.2Confident58.5Low64 Ų6472.1 Ų72.134%0.33541%0.408SS..PPolyproline II helixtrans-74.1153.5168.4-69.2170.7000110.1R472 E561 D563 H568 I572R472-L570 PolarHBondContact NH2-O 3.04Å; E561-L570 HydrophobicContact CB-CD1 3.88Å; E561-L570 WeakPolarHBondContact O-CB 3.31Å; E561-L570 PolarHBondContact O-N 2.77Å; D563-L570 HydrophobicContact CB-CD2 3.95Å; D563-L570 HydrophobicContact CB-CG 4.08Å; H568-L570 PolarHBondContact O-N 2.92Å; L570-I572 PolarHBondContact O-N 3.37Å
571P63.9Low57.2Low107 Ų10775.9 Ų75.970%0.69543%0.43SS*.PPolyproline II helixtrans-55.2136171.1-20.931.8000110.1P573P571-P573 WeakPolarHBondContact O-CD 3.47Å
572I63Low55.9Low45 Ų4572.1 Ų72.123%0.23141%0.413CS..PPolyproline II helixtrans-67.5121.7175.5-53175.1000106.7A258 R472 L570A258-I572 HydrophobicContact CB-CD1 3.95Å; R472-I572 VanDerWaalsContact NH2-CG1 3.27Å; L570-I572 PolarHBondContact O-N 3.37Å
573P54.5Low54.5Low66 Ų6674.6 Ų74.643%0.42942%0.424SS..PPolyproline II helixtrans-61.7136.2177.620.1-26.6000109.6P571 S575 T576P571-P573 WeakPolarHBondContact O-CD 3.47Å; P573-S575 PolarHBondContact O-N 3.48Å; P573-T576 PolarHBondContact O-N 3.12Å; P573-T576 VanDerWaalsContact O-N 3.07Å; P573-T576 PolarHBondContact O-OG1 3.33Å; P573-T576 VanDerWaalsContact O-OG1 3.13Å
574P49.1Very low53.1Low101 Ų10179.5 Ų79.566%0.65645%0.446SS*.THydrogen-bonded Turntrans-60.5-19-175.822-32.1000113.3T576 I577P574-T576 VanDerWaalsContact C-N 3.25Å; P574-T576 PolarHBondContact O-N 3.06Å; P574-I577 PolarHBondContact O-N 3.27Å
575S41.5Very low51.9Low67 Ų6779.6 Ų79.647%0.46945%0.447SS..Hα-helixtrans-65.9-20.9176.249.40000114.2P573 I577 N579P573-S575 PolarHBondContact O-N 3.48Å; S575-I577 VanDerWaalsContact C-N 3.31Å; S575-N579 PolarHBondContact O-ND2 3.07Å
576T47.7Very low51Low40 Ų4072.6 Ų72.625%0.24542%0.415CS..Hα-helixtrans-78.8-16.4178.9-29.50000112.9Q557 P573 P574 I582Q557-T576 WeakPolarHBondContact O-CG2 3.34Å; P573-T576 PolarHBondContact O-N 3.12Å; P573-T576 VanDerWaalsContact O-N 3.07Å; P573-T576 PolarHBondContact O-OG1 3.33Å; P573-T576 VanDerWaalsContact O-OG1 3.13Å; P574-T576 VanDerWaalsContact C-N 3.25Å; P574-T576 PolarHBondContact O-N 3.06Å; T576-I582 HydrophobicContact CG2-CD1 3.79Å; T576-I582 WeakPolarHBondContact O-CD1 3.34Å
577I46.4Very low49.8Very low89 Ų8974.2 Ų74.246%0.45642%0.421SS..Hα-helixtrans-100.3-24.8-175.1-57.5174.2000111.4P574 S575 N596P574-I577 PolarHBondContact O-N 3.27Å; S575-I577 VanDerWaalsContact C-N 3.31Å; I577-N596 PolarHBondContact O-ND2 3.48Å
578N39.6Very low48.4Very low131 Ų13178.2 Ų78.270%0.70145%0.446SS*.Hα-helixtrans-110.10.1-169.4-75.4-16.5000115.9
579N34.2Very low46.5Very low87 Ų8777.6 Ų77.647%0.46545%0.448SS..  trans-101.3103-177.9-73-8.4000110S575 T581 I582S575-N579 PolarHBondContact O-ND2 3.07Å; N579-T581 PolarHBondContact O-N 3.27Å; N579-I582 PolarHBondContact O-N 3.26Å
580G39.8Very low44.9Very low52 Ų5280.2 Ų80.254%0.53648%0.477SS..THydrogen-bonded Turntrans-55.7-4.6174.600000115.3I582G580-I582 VanDerWaalsContact C-N 3.32Å
581T37.6Very low44.1Very low82 Ų8281.6 Ų81.650%0.50348%0.478SS..Hα-helixtrans-71.1-21.217034.10000114.1N579 Q585N579-T581 PolarHBondContact O-N 3.27Å; T581-Q585 PolarHBondContact O-N 2.66Å
582I40.4Very low43.7Very low45 Ų4576.6 Ų76.623%0.23145%0.446CS..Hα-helixtrans-71.2-35.4176.5-67.8171.1000110.6T576 N579 G580 E584 I586T576-I582 HydrophobicContact CG2-CD1 3.79Å; T576-I582 WeakPolarHBondContact O-CD1 3.34Å; N579-I582 PolarHBondContact O-N 3.26Å; G580-I582 VanDerWaalsContact C-N 3.32Å; I582-E584 PolarHBondContact O-N 2.97Å; I582-I586 HydrophobicContact CG2-CD1 3.29Å; I582-I586 HydrophobicContact CG2-CG1 3.97Å; I582-I586 VanDerWaalsContact O-CB 3.22Å; I582-I586 WeakPolarHBondContact O-CB 3.38Å; I582-I586 WeakPolarHBondContact O-CG1 3.36Å; I582-I586 PolarHBondContact O-N 3.46Å
583E38.1Very low43.1Very low61 Ų6175.9 Ų75.929%0.28544%0.442SS..Hα-helixtrans-63.4-41.1175.7-74.5177.4160.900111.5N587E583-N587 VanDerWaalsContact O-CB 3.3Å; E583-N587 WeakPolarHBondContact O-CB 3.45Å; E583-N587 PolarHBondContact O-N 3.39Å; E583-N587 PolarHBondContact O-ND2 3.39Å; E583-N587 PolarHBondContact O-OD1 2.86Å
584E37.9Very low43.1Very low148 Ų14875.1 Ų75.169%0.69244%0.435SS*.Hα-helixtrans-71.9-36.5179.6-72-177.2162.400114I582I582-E584 PolarHBondContact O-N 2.97Å
585Q38.8Very low43Very low148 Ų14871.9 Ų71.969%0.69241%0.413SS*.Hα-helixtrans-77.2-34.7179.1-72.3-173.9-19.100112.4T581 N587 S588T581-Q585 PolarHBondContact O-N 2.66Å; Q585-N587 VanDerWaalsContact C-N 3.35Å; Q585-S588 PolarHBondContact O-N 3.3Å; Q585-S588 PolarHBondContact O-OG 3.31Å
586I40.1Very low43.1Very low38 Ų3874.3 Ų74.320%0.19542%0.421CS..Hα-helixtrans-74.2-27176-64.8-177.2000111.7I582 S588 C589 V592 L593I582-I586 HydrophobicContact CG2-CD1 3.29Å; I582-I586 HydrophobicContact CG2-CG1 3.97Å; I582-I586 VanDerWaalsContact O-CB 3.22Å; I582-I586 WeakPolarHBondContact O-CB 3.38Å; I582-I586 WeakPolarHBondContact O-CG1 3.36Å; I582-I586 PolarHBondContact O-N 3.46Å; I586-S588 PolarHBondContact O-N 2.86Å; I586-C589 CarbonylContact O-C 3.56Å; I586-C589 PolarHBondContact O-N 2.83Å; I586-V592 WeakPolarHBondContact CG2-O 3.44Å; I586-L593 HydrophobicContact CB-CD1 4.2Å; I586-L593 HydrophobicContact CG2-CD1 3.72Å
587N38.2Very low43.1Very low105 Ų10579.1 Ų79.156%0.56144%0.44SS*.THydrogen-bonded Turntrans-58.2-15.5174-82.6-23.7000114.3E583 Q585 L593E583-N587 VanDerWaalsContact O-CB 3.3Å; E583-N587 WeakPolarHBondContact O-CB 3.45Å; E583-N587 PolarHBondContact O-N 3.39Å; E583-N587 PolarHBondContact O-ND2 3.39Å; E583-N587 PolarHBondContact O-OD1 2.86Å; Q585-N587 VanDerWaalsContact C-N 3.35Å; N587-L593 WeakPolarHBondContact OD1-CD1 3.37Å
588S41.2Very low43.1Very low99 Ų9979.7 Ų79.769%0.69245%0.45SS*.THydrogen-bonded Turntrans-83.7-12.8175.7710000114.7Q585 I586Q585-S588 PolarHBondContact O-N 3.3Å; Q585-S588 PolarHBondContact O-OG 3.31Å; I586-S588 PolarHBondContact O-N 2.86Å
589C36.7Very low43.9Very low47 Ų4775.4 Ų75.432%0.31843%0.425SS..SBendtrans-13288.4179-91.80000108.9I586 W591I586-C589 CarbonylContact O-C 3.56Å; I586-C589 PolarHBondContact O-N 2.83Å; C589-W591 PolarHBondContact O-N 3.01Å
590G45.1Very low44.8Very low62 Ų6277.5 Ų77.564%0.63943%0.432SS*.THydrogen-bonded Turntrans-63.230.2-166.600000119.2
591W52.1Low45.7Very low93 Ų9376.3 Ų76.335%0.35242%0.415SS..THydrogen-bonded Turntrans-121.3-12.5-172.2-69.788.2000116.1Y263 S265 C589Y263-W591 VanDerWaalsContact O-O 3.05Å; S265-W591 WeakPolarHBondContact OG-CH2 3.47Å; S265-W591 WeakPolarHBondContact OG-CZ3 3.16Å; C589-W591 PolarHBondContact O-N 3.01Å
592V55.5Low46.8Very low3 Ų379.5 Ų79.52%0.01842%0.424CS..  trans-147.986.5175177.10000111.3I262 Y263 L341 L553 I558 I586I262-V592 HydrophobicContact CG2-CG1 3.85Å; I262-V592 HydrophobicContact CG2-CG2 4.12Å; Y263-V592 WeakPolarHBondContact O-CA 3.32Å; L341-V592 HydrophobicContact CD1-CG2 4.06Å; L553-V592 HydrophobicContact CD1-CG2 3.68Å; L553-V592 HydrophobicContact CD2-CB 3.64Å; L553-V592 HydrophobicContact CD2-CG2 3.38Å; L553-V592 HydrophobicContact CG-CG2 4.18Å; I558-V592 HydrophobicContact CD1-CG1 3.81Å; I586-V592 WeakPolarHBondContact CG2-O 3.44Å
593L50.8Low47.8Very low30 Ų3078.4 Ų78.416%0.15742%0.42CS..  trans-93.8110.5173.2-14983.8000109.5Y263 I586 N587 T595Y263-L593 WeakPolarHBondContact CD2-O 3.34Å; I586-L593 HydrophobicContact CB-CD1 4.2Å; I586-L593 HydrophobicContact CG2-CD1 3.72Å; N587-L593 WeakPolarHBondContact OD1-CD1 3.37Å; L593-T595 HydrophobicContact CD2-CG2 3.35Å; L593-T595 HydrophobicContact CG-CG2 3.86Å
594L54Low49.2Very low50 Ų5078 Ų7826%0.26242%0.424SS..  trans-77.8116.7162-73.2166.7000106.9I260 L261 I558I260-L594 HydrophobicContact CG2-CD2 4.12Å; L261-L594 WeakPolarHBondContact O-CD2 3.3Å; I558-L594 HydrophobicContact CB-CD1 4.42Å; I558-L594 HydrophobicContact CG1-CD1 4.2Å; I558-L594 HydrophobicContact CG2-CD1 4.12Å
595T46.7Very low50.8Low33 Ų3379.1 Ų79.120%0.20243%0.429CS..  trans-119.5132.5174.848.70000110.5R479 L593 E597R479-T595 PolarHBondContact NH2-OG1 3.06Å; R479-T595 VanDerWaalsContact NH2-OG1 3.15Å; L593-T595 HydrophobicContact CD2-CG2 3.35Å; L593-T595 HydrophobicContact CG-CG2 3.86Å; T595-E597 VanDerWaalsContact C-N 3.29Å
596N44.9Very low52.3Low118 Ų11874.3 Ų74.363%0.63141%0.414SS*.  trans-85.1-7168.4-72-20.3000112.2I577I577-N596 PolarHBondContact O-ND2 3.48Å
597E46.5Very low53.7Low141 Ų14172.8 Ų72.866%0.65941%0.407SS*.SBendtrans-64127.1180-66.6-165.314800111.2T595 F599T595-E597 VanDerWaalsContact C-N 3.29Å; E597-F599 PolarHBondContact O-N 2.81Å
598P46.8Very low55.2Low100 Ų10072.3 Ų72.365%0.64940%0.401SS*.PPolyproline II helixtrans-61.8131.517724.8-31.6000109.8H600P598-H600 PolarHBondContact O-CD2 2.95Å; P598-H600 VanDerWaalsContact O-CD2 3.27Å; P598-H600 PolarHBondContact O-N 3.22Å
599F56.3Low56.8Low42 Ų4274.2 Ų74.218%0.18440%0.399CS..PPolyproline II helixtrans-65.9125.1-175.6177.2-91.8000112.3E484 S488 F528 E597 C601E484-F599 VanDerWaalsContact C-CZ 3.45Å; E484-F599 HydrophobicContact CB-CD2 4.36Å; E484-F599 HydrophobicContact CB-CE2 3.44Å; E484-F599 VanDerWaalsContact CB-CE2 3.44Å; E484-F599 HydrophobicContact CB-CZ 3.63Å; E484-F599 HydrophobicContact CG-CD2 3.66Å; E484-F599 HydrophobicContact CG-CE2 3.15Å; E484-F599 HydrophobicContact CG-CZ 3.88Å; E484-F599 WeakPolarHBondContact O-CZ 3.25Å; E484-F599 WeakPolarHBondContact OE1-CD2 3.43Å; E484-F599 WeakPolarHBondContact OE1-CE2 3.38Å; S488-F599 WeakPolarHBondContact OG-CD1 3.45Å; S488-F599 WeakPolarHBondContact OG-CE1 3.36Å; F528-F599 AromaticContact CE1-CE2 3.92Å; F528-F599 HydrophobicContact CE1-CE2 3.92Å; F528-F599 HydrophobicContact CE1-CZ 4.02Å; F528-F599 AromaticContact CZ-CE2 3.73Å; F528-F599 HydrophobicContact CZ-CE2 3.73Å; F528-F599 HydrophobicContact CZ-CZ 4.03Å; E597-F599 PolarHBondContact O-N 2.81Å; F599-C601 HydrophobicContact CD1-CB 4.15Å; F599-C601 HydrophobicContact CE1-CB 3.27Å; F599-C601 WeakPolarHBondContact CE1-SG 3.43Å; F599-C601 HydrophobicContact CZ-CB 3.79Å; F599-C601 WeakPolarHBondContact CZ-SG 3.33Å
600H53.4Low58.5Low131 Ų13172.3 Ų72.361%0.60639%0.387SS*.  trans-113.5106.2171.6-74.3-76.2000110.1F528 P598 E602F528-H600 VanDerWaalsContact CE2-O 3.29Å; F528-H600 WeakPolarHBondContact CE2-O 3.5Å; P598-H600 PolarHBondContact O-CD2 2.95Å; P598-H600 VanDerWaalsContact O-CD2 3.27Å; P598-H600 PolarHBondContact O-N 3.22Å; H600-E602 PolarHBondContact O-N 3.03Å
601C57.9Low59.6Low26 Ų2669.8 Ų69.818%0.17636%0.359CS..  trans-79.134.8179.2-140.20000113.1A485 F599A485-C601 VanDerWaalsContact CA-SG 3.55Å; A485-C601 VanDerWaalsContact CB-SG 3.54Å; F599-C601 HydrophobicContact CD1-CB 4.15Å; F599-C601 HydrophobicContact CE1-CB 3.27Å; F599-C601 WeakPolarHBondContact CE1-SG 3.43Å; F599-C601 HydrophobicContact CZ-CB 3.79Å; F599-C601 WeakPolarHBondContact CZ-SG 3.33Å
602E61.8Low60.5Low149 Ų14971.3 Ų71.370%0.69637%0.368SS*.PPolyproline II helixtrans-95.4124-176.8-66.4-170.2176.900109H600 S604H600-E602 PolarHBondContact O-N 3.03Å; E602-S604 PolarHBondContact O-N 2.94Å
603P61.9Low61.5Low22 Ų2275.3 Ų75.314%0.14339%0.385CS..PPolyproline II helixtrans-63.7126.1177.826.6-32.7000109.1K527 D607K527-P603 HydrophobicContact CB-CB 3.56Å; K527-P603 HydrophobicContact CB-CG 4.13Å; K527-P603 HydrophobicContact CD-CG 4.48Å; P603-D607 HydrophobicContact CB-CB 4.11Å
604S67.6Low62.3Low53 Ų5374.2 Ų74.237%0.37138%0.379SS..PPolyproline II helixtrans-63.8160.3175.4640000111.1E602 A606 D607 Q608E602-S604 PolarHBondContact O-N 2.94Å; S604-A606 PolarHBondContact O-N 3.34Å; S604-D607 PolarHBondContact N-OD2 2.79Å; S604-D607 WeakPolarHBondContact O-CA 3.45Å; S604-D607 VanDerWaalsContact O-CB 3.31Å; S604-D607 WeakPolarHBondContact O-CB 3.23Å; S604-D607 PolarHBondContact O-N 3.41Å; S604-D607 PolarHBondContact OG-N 2.66Å; S604-D607 VanDerWaalsContact OG-N 3.11Å; S604-D607 PolarHBondContact OG-OD2 2.64Å; S604-Q608 PolarHBondContact O-N 2.93Å; S604-Q608 VanDerWaalsContact O-N 3.09Å
605E69.9Low63Low172 Ų17273.8 Ų73.880%0.80438%0.376SS*.Hα-helixtrans-56.1-37.8173.2-68-175.6166.700111.3D607 Q608 E609E605-D607 VanDerWaalsContact C-N 3.32Å; E605-D607 PolarHBondContact O-N 2.98Å; E605-Q608 WeakPolarHBondContact O-CB 3.42Å; E605-Q608 PolarHBondContact O-N 2.85Å; E605-E609 PolarHBondContact O-N 3.15Å
606A70.8Confident64.1Low46 Ų4677.9 Ų77.938%0.3839%0.393SS..Hα-helixtrans-61.4-38.4173.300000112.3A531 S604 Q608 E609 A610A531-A606 VanDerWaalsContact CB-C 3.48Å; A531-A606 HydrophobicContact CB-CB 3.68Å; A531-A606 WeakPolarHBondContact CB-O 3.43Å; S604-A606 PolarHBondContact O-N 3.34Å; A606-Q608 VanDerWaalsContact C-N 3.32Å; A606-Q608 PolarHBondContact O-N 2.91Å; A606-E609 PolarHBondContact O-N 2.91Å; A606-A610 WeakPolarHBondContact O-CB 3.44Å; A606-A610 PolarHBondContact O-N 3.2Å
607D70Confident65.3Low7 Ų774.7 Ų74.74%0.03738%0.376CS..Hα-helixtrans-65.3-37.4176.3-69.7-36.6000111.7K527 G529 L530 A531 P603 S604 E605 E609 A610 V611K527-D607 VanDerWaalsContact O-CB 3.29Å; K527-D607 WeakPolarHBondContact O-CB 3.18Å; G529-D607 VanDerWaalsContact C-OD1 3.3Å; G529-D607 WeakPolarHBondContact CA-OD1 3.24Å; G529-D607 PolarHBondContact N-OD1 2.77Å; G529-D607 PolarHBondContact N-OD2 3.18Å; L530-D607 PolarHBondContact N-OD1 2.76Å; A531-D607 VanDerWaalsContact CB-OD1 3.29Å; A531-D607 WeakPolarHBondContact CB-OD1 3.31Å; A531-D607 PolarHBondContact N-OD1 3.41Å; P603-D607 HydrophobicContact CB-CB 4.11Å; S604-D607 PolarHBondContact N-OD2 2.79Å; S604-D607 WeakPolarHBondContact O-CA 3.45Å; S604-D607 VanDerWaalsContact O-CB 3.31Å; S604-D607 WeakPolarHBondContact O-CB 3.23Å; S604-D607 PolarHBondContact O-N 3.41Å; S604-D607 PolarHBondContact OG-N 2.66Å; S604-D607 VanDerWaalsContact OG-N 3.11Å; S604-D607 PolarHBondContact OG-OD2 2.64Å; E605-D607 VanDerWaalsContact C-N 3.32Å; E605-D607 PolarHBondContact O-N 2.98Å; D607-E609 VanDerWaalsContact C-N 3.34Å; D607-A610 WeakPolarHBondContact O-CB 3.5Å; D607-A610 PolarHBondContact O-N 3.02Å; D607-V611 PolarHBondContact O-N 2.96Å
608Q69.3Low66.3Low94 Ų9471.3 Ų71.344%0.43936%0.357SS..Hα-helixtrans-67-38.3175.1-60.9-178.21900111.4S604 E605 A606 V611 K612S604-Q608 PolarHBondContact O-N 2.93Å; S604-Q608 VanDerWaalsContact O-N 3.09Å; E605-Q608 WeakPolarHBondContact O-CB 3.42Å; E605-Q608 PolarHBondContact O-N 2.85Å; A606-Q608 VanDerWaalsContact C-N 3.32Å; A606-Q608 PolarHBondContact O-N 2.91Å; Q608-V611 PolarHBondContact O-N 2.59Å; Q608-K612 PolarHBondContact O-N 3.25Å
609E74.3Confident67.3Low139 Ų13972.5 Ų72.565%0.6535%0.354SS*.Hα-helixtrans-67.2-39.8174.3-169.3169.2-160.600112.1E605 A606 D607 V611 K612 K613E605-E609 PolarHBondContact O-N 3.15Å; A606-E609 PolarHBondContact O-N 2.91Å; D607-E609 VanDerWaalsContact C-N 3.34Å; E609-V611 VanDerWaalsContact C-N 3.31Å; E609-V611 PolarHBondContact O-N 2.93Å; E609-K612 WeakPolarHBondContact O-CB 3.43Å; E609-K612 PolarHBondContact O-N 2.93Å; E609-K612 VanDerWaalsContact O-N 3.08Å; E609-K613 PolarHBondContact O-N 3.05Å
610A72.3Confident67.8Low8 Ų875.1 Ų75.17%0.06637%0.37CS..Hα-helixtrans-58.2-40.7172.800000112.4L530 A531 L534 A606 D607 K613 L614L530-A610 HydrophobicContact CB-CB 4.09Å; A531-A610 HydrophobicContact CB-CB 4.14Å; L534-A610 HydrophobicContact CD1-CB 3.61Å; A606-A610 WeakPolarHBondContact O-CB 3.44Å; A606-A610 PolarHBondContact O-N 3.2Å; D607-A610 WeakPolarHBondContact O-CB 3.5Å; D607-A610 PolarHBondContact O-N 3.02Å; A610-K613 PolarHBondContact O-N 3.29Å; A610-L614 WeakPolarHBondContact O-CG 3.42Å; A610-L614 PolarHBondContact O-N 3.15Å
611V69.6Low68.3Low8 Ų872.3 Ų72.35%0.04836%0.362CS..Hα-helixtrans-62.4-44172.5172.30000111.6F285 K527 L530 D607 Q608 E609 K613 L614 Q615F285-V611 HydrophobicContact CG-CG1 4.5Å; K527-V611 HydrophobicContact CG-CG2 3.78Å; L530-V611 HydrophobicContact CD1-CG2 3.32Å; D607-V611 PolarHBondContact O-N 2.96Å; Q608-V611 PolarHBondContact O-N 2.59Å; E609-V611 VanDerWaalsContact C-N 3.31Å; E609-V611 PolarHBondContact O-N 2.93Å; V611-K613 VanDerWaalsContact C-N 3.31Å; V611-K613 PolarHBondContact O-N 3.43Å; V611-L614 PolarHBondContact O-N 3.17Å; V611-Q615 HydrophobicContact CG1-CG 4.34Å; V611-Q615 VanDerWaalsContact O-CG 3.32Å; V611-Q615 WeakPolarHBondContact O-CG 3.39Å; V611-Q615 PolarHBondContact O-N 3.08Å
612K71.2Confident68.4Low125 Ų12575.7 Ų75.754%0.54337%0.374SS..Hα-helixtrans-61.2-40.8176.3-68.9176.4-177.3173.70111.5Q608 E609 Q615 Q616Q608-K612 PolarHBondContact O-N 3.25Å; E609-K612 WeakPolarHBondContact O-CB 3.43Å; E609-K612 PolarHBondContact O-N 2.93Å; E609-K612 VanDerWaalsContact O-N 3.08Å; K612-Q615 WeakPolarHBondContact O-CB 3.22Å; K612-Q615 PolarHBondContact O-N 3.03Å; K612-Q616 WeakPolarHBondContact O-CG 3.13Å; K612-Q616 PolarHBondContact O-N 2.75Å
613K74.6Confident68.2Low88 Ų8871.1 Ų71.138%0.38336%0.358SS..Hα-helixtrans-61.5-45175.1-169.4179.3179.2-1760111.3D538 E609 A610 V611 Q615 Q616 D617D538-K613 IonicContact OD2-NZ 2.77Å; E609-K613 PolarHBondContact O-N 3.05Å; A610-K613 PolarHBondContact O-N 3.29Å; V611-K613 VanDerWaalsContact C-N 3.31Å; V611-K613 PolarHBondContact O-N 3.43Å; K613-Q615 VanDerWaalsContact C-N 3.33Å; K613-Q615 PolarHBondContact O-N 3.48Å; K613-Q616 WeakPolarHBondContact O-CB 3.27Å; K613-Q616 PolarHBondContact O-N 2.88Å; K613-D617 PolarHBondContact O-N 3.47Å
614L68.9Low68Low7 Ų776.8 Ų76.84%0.03738%0.38CS..Hα-helixtrans-64.1-36.6175.6-74.7172.6000113L534 A610 V611 D617 Y618L534-L614 HydrophobicContact CD1-CD1 4.2Å; L534-L614 HydrophobicContact CD1-CD2 4.45Å; L534-L614 HydrophobicContact CD1-CG 4.04Å; L534-L614 HydrophobicContact CD2-CD2 4.22Å; A610-L614 WeakPolarHBondContact O-CG 3.42Å; A610-L614 PolarHBondContact O-N 3.15Å; V611-L614 PolarHBondContact O-N 3.17Å; L614-D617 PolarHBondContact O-N 3.23Å; L614-Y618 WeakPolarHBondContact O-CB 3.46Å; L614-Y618 PolarHBondContact O-N 3.35Å
615Q68.3Low67Low41 Ų4175.3 Ų75.319%0.19237%0.369CS..Hα-helixtrans-64.5-45.1173.7-74.4173.7-28.300111V611 K612 K613 Y618 E619V611-Q615 HydrophobicContact CG1-CG 4.34Å; V611-Q615 VanDerWaalsContact O-CG 3.32Å; V611-Q615 WeakPolarHBondContact O-CG 3.39Å; V611-Q615 PolarHBondContact O-N 3.08Å; K612-Q615 WeakPolarHBondContact O-CB 3.22Å; K612-Q615 PolarHBondContact O-N 3.03Å; K613-Q615 VanDerWaalsContact C-N 3.33Å; K613-Q615 PolarHBondContact O-N 3.48Å; Q615-Y618 WeakPolarHBondContact O-CB 2.81Å; Q615-Y618 PolarHBondContact O-N 3.13Å; Q615-E619 WeakPolarHBondContact O-CG 3.25Å; Q615-E619 PolarHBondContact O-N 3.4Å
616Q69.8Low65.7Low118 Ų11873.2 Ų73.255%0.55136%0.357SS*.Hα-helixtrans-60.9-44.6174.9-71.9171.61.800111.5K612 K613 Y618 E619 L620K612-Q616 WeakPolarHBondContact O-CG 3.13Å; K612-Q616 PolarHBondContact O-N 2.75Å; K613-Q616 WeakPolarHBondContact O-CB 3.27Å; K613-Q616 PolarHBondContact O-N 2.88Å; Q616-Y618 VanDerWaalsContact C-N 3.29Å; Q616-Y618 PolarHBondContact O-N 2.78Å; Q616-E619 PolarHBondContact O-N 3.47Å; Q616-L620 VanDerWaalsContact O-CB 3.31Å; Q616-L620 WeakPolarHBondContact O-CB 3.18Å; Q616-L620 PolarHBondContact O-N 2.99Å
617D69.9Low64.7Low52 Ų5277.3 Ų77.328%0.27838%0.376SS..Hα-helixtrans-59.7-41.1175.5-74.9-10.3000111.4K613 L614 T621K613-D617 PolarHBondContact O-N 3.47Å; L614-D617 PolarHBondContact O-N 3.23Å; D617-T621 WeakPolarHBondContact O-CB 3.12Å; D617-T621 PolarHBondContact O-N 2.72Å; D617-T621 PolarHBondContact O-OG1 3.37Å
618Y68.1Low63.3Low69 Ų6982.6 Ų82.627%0.27140%0.401SS..Hα-helixtrans-66.3-44.2175.9179.4-95.9000112A282 L614 Q615 Q616 T621 K622A282-Y618 HydrophobicContact CB-CD2 4.21Å; A282-Y618 HydrophobicContact CB-CG 4.01Å; L614-Y618 WeakPolarHBondContact O-CB 3.46Å; L614-Y618 PolarHBondContact O-N 3.35Å; Q615-Y618 WeakPolarHBondContact O-CB 2.81Å; Q615-Y618 PolarHBondContact O-N 3.13Å; Q616-Y618 VanDerWaalsContact C-N 3.29Å; Q616-Y618 PolarHBondContact O-N 2.78Å; Y618-T621 PolarHBondContact O-N 2.92Å; Y618-K622 HydrophobicContact CE1-CD 4.05Å; Y618-K622 VanDerWaalsContact O-CB 3.28Å; Y618-K622 WeakPolarHBondContact O-CB 3.48Å; Y618-K622 PolarHBondContact O-N 2.84Å
619E67.5Low61.5Low125 Ų12580.8 Ų80.858%0.58441%0.408SS*.Hα-helixtrans-66.8-37.9176.8-73.3-175.6168.700112.5Q615 Q616 T621 K622 S623Q615-E619 WeakPolarHBondContact O-CG 3.25Å; Q615-E619 PolarHBondContact O-N 3.4Å; Q616-E619 PolarHBondContact O-N 3.47Å; E619-T621 VanDerWaalsContact C-N 3.35Å; E619-K622 PolarHBondContact O-N 2.8Å; E619-S623 VanDerWaalsContact O-CB 3.26Å; E619-S623 WeakPolarHBondContact O-CB 3.34Å; E619-S623 PolarHBondContact O-N 3.4Å; E619-S623 PolarHBondContact O-OG 3.05Å
620L67.7Low59.8Low97 Ų9777.1 Ų77.151%0.50839%0.392SS..Hα-helixtrans-61.3-43.7170.6-88.6154.6000110.9Q616 S623 K624Q616-L620 VanDerWaalsContact O-CB 3.31Å; Q616-L620 WeakPolarHBondContact O-CB 3.18Å; Q616-L620 PolarHBondContact O-N 2.99Å; L620-S623 WeakPolarHBondContact CA-OG 3.34Å; L620-S623 PolarHBondContact O-N 3.26Å; L620-S623 PolarHBondContact O-OG 3.15Å; L620-K624 WeakPolarHBondContact O-CB 2.91Å; L620-K624 VanDerWaalsContact O-CG 3.3Å; L620-K624 WeakPolarHBondContact O-CG 3.21Å; L620-K624 PolarHBondContact O-N 3.34Å
621T62.4Low57.9Low72 Ų7280.4 Ų80.444%0.44241%0.407SS..Hα-helixtrans-66.7-42.1176.3-52.40000111.1D617 Y618 E619 L625D617-T621 WeakPolarHBondContact O-CB 3.12Å; D617-T621 PolarHBondContact O-N 2.72Å; D617-T621 PolarHBondContact O-OG1 3.37Å; Y618-T621 PolarHBondContact O-N 2.92Å; E619-T621 VanDerWaalsContact C-N 3.35Å; T621-L625 HydrophobicContact CG2-CD1 4.23Å; T621-L625 WeakPolarHBondContact O-CB 3.43Å; T621-L625 WeakPolarHBondContact O-CD1 3.45Å; T621-L625 VanDerWaalsContact O-CG 3.22Å; T621-L625 WeakPolarHBondContact O-CG 3.42Å; T621-L625 PolarHBondContact O-N 3.04Å
622K60.8Low55.9Low98 Ų9887.3 Ų87.343%0.42644%0.444SS..Hα-helixtrans-66.3-37.4177.4-172.4176.2-177.8176.20112.1Y618 E619 K626Y618-K622 HydrophobicContact CE1-CD 4.05Å; Y618-K622 VanDerWaalsContact O-CB 3.28Å; Y618-K622 WeakPolarHBondContact O-CB 3.48Å; Y618-K622 PolarHBondContact O-N 2.84Å; E619-K622 PolarHBondContact O-N 2.8Å; K622-K626 WeakPolarHBondContact O-CG 3.15Å; K622-K626 PolarHBondContact O-N 3.18Å
623S57.6Low53.8Low53 Ų5384.3 Ų84.337%0.37145%0.448SS..Hα-helixtrans-74.5-40.3177.456.30000111.9E619 L620 L625 K626 V627E619-S623 VanDerWaalsContact O-CB 3.26Å; E619-S623 WeakPolarHBondContact O-CB 3.34Å; E619-S623 PolarHBondContact O-N 3.4Å; E619-S623 PolarHBondContact O-OG 3.05Å; L620-S623 WeakPolarHBondContact CA-OG 3.34Å; L620-S623 PolarHBondContact O-N 3.26Å; L620-S623 PolarHBondContact O-OG 3.15Å; S623-L625 VanDerWaalsContact C-N 3.28Å; S623-L625 PolarHBondContact O-N 3.25Å; S623-K626 PolarHBondContact O-N 3Å; S623-V627 WeakPolarHBondContact O-CG2 3.44Å; S623-V627 PolarHBondContact O-N 3.44Å
624K57.6Low51.6Low140 Ų14087 Ų8761%0.60947%0.467SS*.Hα-helixtrans-55.1-45.6168.8-76.6-179.7179.1-173.50111.3L620 K626 V627 E628L620-K624 WeakPolarHBondContact O-CB 2.91Å; L620-K624 VanDerWaalsContact O-CG 3.3Å; L620-K624 WeakPolarHBondContact O-CG 3.21Å; L620-K624 PolarHBondContact O-N 3.34Å; K624-K626 VanDerWaalsContact C-N 3.29Å; K624-K626 PolarHBondContact O-N 3.5Å; K624-V627 PolarHBondContact O-N 3.33Å; K624-E628 WeakPolarHBondContact O-CG 3.27Å; K624-E628 PolarHBondContact O-N 2.77Å
625L46Very low49.6Very low23 Ų2395.3 Ų95.312%0.1251%0.506CS..Hα-helixtrans-68.1-22.4176.1-69.7169.8000114.4T621 S623 K1050T621-L625 HydrophobicContact CG2-CD1 4.23Å; T621-L625 WeakPolarHBondContact O-CB 3.43Å; T621-L625 WeakPolarHBondContact O-CD1 3.45Å; T621-L625 VanDerWaalsContact O-CG 3.22Å; T621-L625 WeakPolarHBondContact O-CG 3.42Å; T621-L625 PolarHBondContact O-N 3.04Å; S623-L625 VanDerWaalsContact C-N 3.28Å; S623-L625 PolarHBondContact O-N 3.25Å; L625-K1050 HydrophobicContact CD1-CD 4.28Å; L625-K1050 HydrophobicContact CD2-CD 3.93Å
626K43.1Very low47.7Very low128 Ų128100.5 Ų100.556%0.55754%0.535SS*.Hα-helixtrans-81.7-37.9172-81.6-176.5174.3-172.30112.2K622 S623 K624 E628 G629K622-K626 WeakPolarHBondContact O-CG 3.15Å; K622-K626 PolarHBondContact O-N 3.18Å; S623-K626 PolarHBondContact O-N 3Å; K624-K626 VanDerWaalsContact C-N 3.29Å; K624-K626 PolarHBondContact O-N 3.5Å; K626-E628 VanDerWaalsContact C-N 3.3Å; K626-G629 PolarHBondContact O-N 2.9Å
627V49.8Very low45.8Very low131 Ų131102.9 Ų102.979%0.79455%0.551SS**Hα-helixtrans-69.7-30.3177.9174.60000111.1S623 K624 G629S623-V627 WeakPolarHBondContact O-CG2 3.44Å; S623-V627 PolarHBondContact O-N 3.44Å; K624-V627 PolarHBondContact O-N 3.33Å; V627-G629 PolarHBondContact O-N 2.96Å
628E41.1Very low43.9Very low119 Ų119108.5 Ų108.556%0.55658%0.576SS**THydrogen-bonded Turntrans-79.17.6174-71.2179.8170.200114.5K624 K626 I630K624-E628 WeakPolarHBondContact O-CG 3.27Å; K624-E628 PolarHBondContact O-N 2.77Å; K626-E628 VanDerWaalsContact C-N 3.3Å; E628-I630 VanDerWaalsContact C-N 3.31Å; E628-I630 HydrophobicContact CB-CD1 4.31Å; E628-I630 HydrophobicContact CB-CG1 4.31Å; E628-I630 WeakPolarHBondContact O-CG1 3.32Å; E628-I630 PolarHBondContact O-N 3.37Å
629G29.9Very low42Very low56 Ų56112.5 Ų112.558%0.57760%0.601SS**THydrogen-bonded Turntrans73.113.2171.300000115.9K626 V627K626-G629 PolarHBondContact O-N 2.9Å; V627-G629 PolarHBondContact O-N 2.96Å
630I39.1Very low40Very low62 Ų62114.8 Ų114.832%0.31862%0.616SS.*  trans-89.40.4-173.9-49.5179.7000112.4E628 K1050E628-I630 VanDerWaalsContact C-N 3.31Å; E628-I630 HydrophobicContact CB-CD1 4.31Å; E628-I630 HydrophobicContact CB-CG1 4.31Å; E628-I630 WeakPolarHBondContact O-CG1 3.32Å; E628-I630 PolarHBondContact O-N 3.37Å; I630-K1050 HydrophobicContact CG2-CD 4.22Å; I630-K1050 HydrophobicContact CG2-CG 3.92Å
631I32.7Very low38Very low76 Ų76115.1 Ų115.139%0.3962%0.623SS.*  trans-135.693.2175.2-50.7177.3000109.3G633I631-G633 PolarHBondContact O-N 3.37Å
632N27.6Very low36.2Very low154 Ų154116.8 Ų116.882%0.82464%0.637SS**  trans-65.7123.4160-80.5-23.5000108N634N632-N634 PolarHBondContact O-N 3.12Å
633G27.3Very low34.5Very low61 Ų61119.9 Ų119.963%0.62965%0.653SS**  trans-63.5119.9169.300000109.4I631I631-G633 PolarHBondContact O-N 3.37Å
634N28.1Very low33Very low144 Ų144123.2 Ų123.277%0.7767%0.667SS**SBendtrans160.9120.7139.3-76-18.7000108.1N632N632-N634 PolarHBondContact O-N 3.12Å
635E27.1Very low31.4Very low183 Ų183124.6 Ų124.686%0.85568%0.679SS**  trans55.876.5149.5-56.6178170.500117.7
636D28Very low30.3Very low149 Ų149130.6 Ų130.680%0.79772%0.717SS**  trans-15758.1161.1-85.1-38000111E638D636-E638 VanDerWaalsContact C-N 3.27Å; D636-E638 PolarHBondContact O-N 3.07Å
637D29.9Very low29.4Very low168 Ų168127.8 Ų127.890%0.89872%0.724SS**  trans-88.619.7173.2-102.3-25.8000112.5
638E30.5Very low28.2Very low170 Ų170131.2 Ų131.279%0.79473%0.729SS**  trans-119.31-161.6-103.3-174.8167.100118.1D636D636-E638 VanDerWaalsContact C-N 3.27Å; D636-E638 PolarHBondContact O-N 3.07Å
639L27.4Very low27.3Very low154 Ų154130.6 Ų130.681%0.80674%0.737SS**SBendtrans-124.417.4-165.6-92.2160.2000118.9
640L26.9Very low27Very low172 Ų172134.5 Ų134.590%0.90174%0.744SS**SBendtrans-124.823.6171.7-75.6170.2000114.2
641T25.3Very low26.3Very low105 Ų105136 Ų13664%0.64476%0.76SS**  trans-133.871.3-179.958.40000112.7
642S24.9Very low26Very low107 Ų107140.1 Ų140.175%0.74878%0.783SS**  trans-171.6153.2159.647.70000109.6
643E25.2Very low25.8Very low163 Ų163138.5 Ų138.576%0.76278%0.784SS**  trans90103.6-173.1-54.2-177.6-172.200112.1
644N25.4Very low25.8Very low123 Ų123139.6 Ų139.666%0.65879%0.787SS**SBendcis-158.3101.926.1-78.6-43.9000110.7
645I23.8Very low25.7Very low169 Ų169143 Ų14387%0.86780%0.796SS**SBendtrans-143.688.6154.1-56.4179.3000107.2
646T23.6Very low25.7Very low148 Ų148139.6 Ų139.691%0.90879%0.787SS**  trans-175.7130.1148.341.60000110.6
647G24.8Very low25.6Very low69 Ų69141.4 Ų141.471%0.71179%0.788SS**  trans121.592.3151.100000115.9
648F24.7Very low25.5Very low204 Ų204140.9 Ų140.990%0.89579%0.785SS**  -176.9103.4105.1-120.3-98.4000111.4
649S21Very low25.5Very low105 Ų105139.7 Ų139.773%0.73478%0.783SS**  trans-107.2120.6149.9157.50000105.1
650L24Very low25.5Very low138 Ų138139.6 Ų139.672%0.72378%0.784SS**  trans159.8125.3136.2-89.5144.4000112.4
651S23.8Very low25.5Very low94 Ų94142.3 Ų142.366%0.65778%0.784SS**  trans69.9117.3152.266.80000119.5
652N27.3Very low25.7Very low163 Ų163148.4 Ų148.487%0.87280%0.795SS**  -169.9104.4110.4-92.8-28.5000112.1
653S23.4Very low26.2Very low120 Ų120152.5 Ų152.584%0.83980%0.799SS**  trans-91.6110.1162.252.80000109.4
654A27Very low26.8Very low84 Ų84155 Ų15569%0.69481%0.808SS**  trans-171.4106.3154.600000108.5
655F26.9Very low27.8Very low215 Ų215151.3 Ų151.394%0.94379%0.787SS**  trans179.292.8133.5-106.1-78.2000109
656T26.5Very low29.1Very low111 Ų111147.4 Ų147.468%0.68177%0.772SS**  trans-87.8151.4172.53.20000111
657K26.4Very low30.8Very low187 Ų187144.7 Ų144.781%0.81376%0.759SS**  trans79.8127.2141.7-69.5164.4-176-178.40118.7
658L27.6Very low32.8Very low158 Ų158147.7 Ų147.783%0.82776%0.757SS**  trans147.8116.4151.6-79.4158000104.7
659N28.8Very low34.7Very low144 Ų144142.2 Ų142.277%0.7774%0.735SS**  cis-167.7137.932.5-93.7-38000110.2
660N27.4Very low36.7Very low152 Ų152141 Ų14181%0.81372%0.719SS**  trans-100144.3158.1-89.1-22.6000108.8
661Y28.5Very low38.9Very low230 Ų230141.4 Ų141.490%0.90272%0.717SS**  trans152.6104.1147.2-87.5-68.3000109.9
662R28.5Very low41.3Very low232 Ų232139.6 Ų139.688%0.87571%0.708SS**  trans179.5122.4139.5-104.6167.2173.8175.7-1.7114.7
663K36.5Very low43.1Very low193 Ų193137.9 Ų137.984%0.83969%0.689SS**  trans37123.6152.3-106.5179.1174.2-1770119.5L665K663-L665 WeakPolarHBondContact O-CD1 3.38Å
664K37.9Very low45.4Very low217 Ų217136.6 Ų136.694%0.94367%0.673SS**  trans-67.8126.7169.3-79.8-178.2174.2-178.30110.8
665L45.5Very low47.8Very low44 Ų44139.5 Ų139.523%0.2367%0.67CS.*  trans-105.8152.4174.3-87.486.6000110.2K663 E669 I670 R673K663-L665 WeakPolarHBondContact O-CD1 3.38Å; L665-E669 HydrophobicContact CB-CB 3.76Å; L665-E669 HydrophobicContact CD2-CB 3.61Å; L665-E669 HydrophobicContact CD2-CG 4.12Å; L665-E669 HydrophobicContact CG-CB 4.13Å; L665-I670 HydrophobicContact CB-CG1 4.28Å; L665-I670 WeakPolarHBondContact O-CD1 3.4Å; L665-I670 WeakPolarHBondContact O-CG1 3.37Å; L665-R673 VanDerWaalsContact CD1-CZ 3.49Å
666T51.5Low50.2Low87 Ų87136.2 Ų136.253%0.53466%0.655SS.*  trans-66.3162.8178.154.20000112.3I668 E669 I670T666-I668 PolarHBondContact O-N 2.96Å; T666-E669 PolarHBondContact N-OE2 3.42Å; T666-E669 CarbonylContact O-C 3.26Å; T666-E669 WeakPolarHBondContact O-CA 3.3Å; T666-E669 WeakPolarHBondContact O-CB 3.37Å; T666-E669 PolarHBondContact O-N 2.98Å; T666-E669 VanDerWaalsContact OG1-CB 3.32Å; T666-E669 WeakPolarHBondContact OG1-CB 3.4Å; T666-E669 WeakPolarHBondContact OG1-CG 3.42Å; T666-E669 PolarHBondContact OG1-OE2 3.18Å; T666-I670 VanDerWaalsContact O-CG1 3.31Å; T666-I670 WeakPolarHBondContact O-CG1 3.4Å; T666-I670 PolarHBondContact O-N 3.46Å
667S58.7Low52.4Low92 Ų92133.3 Ų133.364%0.64364%0.643SS**Hα-helixtrans-58.2-42.2-174.5500000114E669 I670 E671S667-E669 VanDerWaalsContact C-N 3.33Å; S667-I670 PolarHBondContact O-N 3.41Å; S667-E671 PolarHBondContact O-N 2.94Å
668I66.2Low54.7Low132 Ų132129.3 Ų129.368%0.67763%0.634SS**Hα-helixtrans-66.9-38.2174.4-62.5170.4000110.5T666 I670 A672T666-I668 PolarHBondContact O-N 2.96Å; I668-I670 VanDerWaalsContact C-N 3.33Å; I668-A672 VanDerWaalsContact O-CB 3.27Å; I668-A672 WeakPolarHBondContact O-CB 3.31Å; I668-A672 PolarHBondContact O-N 3.39Å
669E65.5Low57.2Low89 Ų89126.3 Ų126.342%0.41662%0.615SS.*Hα-helixtrans-69.9-28.1173.1-76.9176.9144.300112.8L665 T666 S667 R673L665-E669 HydrophobicContact CB-CB 3.76Å; L665-E669 HydrophobicContact CD2-CB 3.61Å; L665-E669 HydrophobicContact CD2-CG 4.12Å; L665-E669 HydrophobicContact CG-CB 4.13Å; T666-E669 PolarHBondContact N-OE2 3.42Å; T666-E669 CarbonylContact O-C 3.26Å; T666-E669 WeakPolarHBondContact O-CA 3.3Å; T666-E669 WeakPolarHBondContact O-CB 3.37Å; T666-E669 PolarHBondContact O-N 2.98Å; T666-E669 VanDerWaalsContact OG1-CB 3.32Å; T666-E669 WeakPolarHBondContact OG1-CB 3.4Å; T666-E669 WeakPolarHBondContact OG1-CG 3.42Å; T666-E669 PolarHBondContact OG1-OE2 3.18Å; S667-E669 VanDerWaalsContact C-N 3.33Å; E669-R673 WeakPolarHBondContact O-CA 3.11Å; E669-R673 WeakPolarHBondContact O-CB 3.21Å; E669-R673 PolarHBondContact O-N 2.71Å
670I62.9Low59.3Low79 Ų79122.1 Ų122.141%0.40560%0.595SS.*Hα-helixtrans-71.7-43.3175.4-71.7164.4000109.6L665 T666 S667 I668 R673 N674L665-I670 HydrophobicContact CB-CG1 4.28Å; L665-I670 WeakPolarHBondContact O-CD1 3.4Å; L665-I670 WeakPolarHBondContact O-CG1 3.37Å; T666-I670 VanDerWaalsContact O-CG1 3.31Å; T666-I670 WeakPolarHBondContact O-CG1 3.4Å; T666-I670 PolarHBondContact O-N 3.46Å; S667-I670 PolarHBondContact O-N 3.41Å; I668-I670 VanDerWaalsContact C-N 3.33Å; I670-R673 CarbonylContact O-C 3.51Å; I670-R673 PolarHBondContact O-N 2.82Å; I670-N674 WeakPolarHBondContact O-CB 3.3Å; I670-N674 PolarHBondContact O-N 2.91Å; I670-N674 PolarHBondContact O-ND2 3.18Å; I670-N674 PolarHBondContact O-OD1 3.45Å
671E70.2Confident61.6Low146 Ų146122 Ų12268%0.68259%0.588SS**Hα-helixtrans-65.3-45.8172.8-88.4-174.1152.600112S667 R673 N674 K675S667-E671 PolarHBondContact O-N 2.94Å; E671-R673 VanDerWaalsContact C-N 3.27Å; E671-R673 PolarHBondContact O-N 3.25Å; E671-N674 PolarHBondContact O-N 2.74Å; E671-K675 WeakPolarHBondContact O-CB 3.4Å; E671-K675 PolarHBondContact O-N 3Å
672A73.8Confident64Low57 Ų57113.8 Ų113.847%0.47157%0.567SS.*Hα-helixtrans-61.7-37.2174.700000111.5I668 K676I668-A672 VanDerWaalsContact O-CB 3.27Å; I668-A672 WeakPolarHBondContact O-CB 3.31Å; I668-A672 PolarHBondContact O-N 3.39Å; A672-K676 WeakPolarHBondContact O-CB 3.23Å; A672-K676 PolarHBondContact O-N 3.3Å
673R66Low66.5Low126 Ų126109.9 Ų109.948%0.47556%0.556SS.*Hα-helixtrans-75.9-30.1177.1-165.4-174.9-167.5101.7-8.5112.1L665 E669 I670 E671 A677L665-R673 VanDerWaalsContact CD1-CZ 3.49Å; E669-R673 WeakPolarHBondContact O-CA 3.11Å; E669-R673 WeakPolarHBondContact O-CB 3.21Å; E669-R673 PolarHBondContact O-N 2.71Å; I670-R673 CarbonylContact O-C 3.51Å; I670-R673 PolarHBondContact O-N 2.82Å; E671-R673 VanDerWaalsContact C-N 3.27Å; E671-R673 PolarHBondContact O-N 3.25Å; R673-A677 WeakPolarHBondContact O-CA 2.98Å; R673-A677 WeakPolarHBondContact O-CB 3.4Å; R673-A677 PolarHBondContact O-N 2.82Å
674N71.9Confident68.2Low93 Ų93109.6 Ų109.650%0.49755%0.55SS..Hα-helixtrans-71.8-46173.5-75.3-15.4000110.5I670 E671 A677 V678I670-N674 WeakPolarHBondContact O-CB 3.3Å; I670-N674 PolarHBondContact O-N 2.91Å; I670-N674 PolarHBondContact O-ND2 3.18Å; I670-N674 PolarHBondContact O-OD1 3.45Å; E671-N674 PolarHBondContact O-N 2.74Å; N674-A677 PolarHBondContact O-N 3.39Å; N674-A677 VanDerWaalsContact O-N 3.17Å; N674-V678 WeakPolarHBondContact O-CG2 3.37Å; N674-V678 PolarHBondContact O-N 3.29Å
675K76.7Confident70Confident145 Ų145104.2 Ų104.263%0.6353%0.528SS*.Hα-helixtrans-60.9-47.1173.1-167173.9-179.2177.40110.9E671 A677 V678 E679E671-K675 WeakPolarHBondContact O-CB 3.4Å; E671-K675 PolarHBondContact O-N 3Å; K675-A677 VanDerWaalsContact C-N 3.31Å; K675-A677 PolarHBondContact O-N 3.13Å; K675-V678 PolarHBondContact O-N 2.93Å; K675-E679 WeakPolarHBondContact O-CB 3.06Å; K675-E679 WeakPolarHBondContact O-CG 3.24Å; K675-E679 PolarHBondContact O-N 3.37Å
676K77.2Confident71.6Confident146 Ų146110.1 Ų110.164%0.63555%0.548SS*.Hα-helixtrans-66.4-29.8175.1-156.3171.6-1681730112.3A672 T680A672-K676 WeakPolarHBondContact O-CB 3.23Å; A672-K676 PolarHBondContact O-N 3.3Å; K676-T680 WeakPolarHBondContact O-CB 3.45Å; K676-T680 PolarHBondContact O-N 2.69Å; K676-T680 PolarHBondContact O-OG1 3.4Å
677A72.2Confident72.8Confident50 Ų50112.1 Ų112.141%0.41355%0.55SS..Hα-helixtrans-75.9-38.3176.300000112.4R673 N674 K675 T680 K681R673-A677 WeakPolarHBondContact O-CA 2.98Å; R673-A677 WeakPolarHBondContact O-CB 3.4Å; R673-A677 PolarHBondContact O-N 2.82Å; N674-A677 PolarHBondContact O-N 3.39Å; N674-A677 VanDerWaalsContact O-N 3.17Å; K675-A677 VanDerWaalsContact C-N 3.31Å; K675-A677 PolarHBondContact O-N 3.13Å; A677-T680 PolarHBondContact O-N 3.47Å; A677-K681 VanDerWaalsContact O-CB 3.23Å; A677-K681 WeakPolarHBondContact O-CB 3.4Å; A677-K681 PolarHBondContact O-N 3.36Å
678V75.6Confident73.5Confident103 Ų103116.6 Ų116.662%0.62455%0.552SS**Hα-helixtrans-64.5-47171.71730000109.6N674 K675 T680 K681 A682N674-V678 WeakPolarHBondContact O-CG2 3.37Å; N674-V678 PolarHBondContact O-N 3.29Å; K675-V678 PolarHBondContact O-N 2.93Å; V678-T680 VanDerWaalsContact C-N 3.34Å; V678-T680 PolarHBondContact O-N 3.21Å; V678-K681 PolarHBondContact O-N 2.76Å; V678-A682 WeakPolarHBondContact O-CB 3.39Å; V678-A682 PolarHBondContact O-N 3.19Å
679E79Confident73.9Confident95 Ų95117.2 Ų117.244%0.44455%0.55SS.*Hα-helixtrans-61.9-39173.5-74.4175.3-166.400112.3K675 K683K675-E679 WeakPolarHBondContact O-CB 3.06Å; K675-E679 WeakPolarHBondContact O-CG 3.24Å; K675-E679 PolarHBondContact O-N 3.37Å; E679-K683 VanDerWaalsContact O-CB 3.29Å; E679-K683 WeakPolarHBondContact O-CB 3.32Å; E679-K683 VanDerWaalsContact O-CG 3.29Å; E679-K683 WeakPolarHBondContact O-CG 3.37Å; E679-K683 PolarHBondContact O-N 3.37Å
680T73.7Confident74.5Confident56 Ų56116.1 Ų116.134%0.34455%0.545SS..Hα-helixtrans-71.4-35.3177.1-56.20000111.6K676 A677 V678 R684K676-T680 WeakPolarHBondContact O-CB 3.45Å; K676-T680 PolarHBondContact O-N 2.69Å; K676-T680 PolarHBondContact O-OG1 3.4Å; A677-T680 PolarHBondContact O-N 3.47Å; V678-T680 VanDerWaalsContact C-N 3.34Å; V678-T680 PolarHBondContact O-N 3.21Å; T680-R684 HydrophobicContact CG2-CG 4.39Å; T680-R684 VanDerWaalsContact O-CB 3.27Å; T680-R684 WeakPolarHBondContact O-CB 3.14Å; T680-R684 WeakPolarHBondContact O-CG 2.92Å; T680-R684 PolarHBondContact O-N 3.43Å
681K75.2Confident75.2Confident151 Ų151115.8 Ų115.866%0.65754%0.544SS*.Hα-helixtrans-67.4-46175-172-178.2176.9-171.90110.1A677 V678 R684 E685A677-K681 VanDerWaalsContact O-CB 3.23Å; A677-K681 WeakPolarHBondContact O-CB 3.4Å; A677-K681 PolarHBondContact O-N 3.36Å; V678-K681 PolarHBondContact O-N 2.76Å; K681-R684 PolarHBondContact O-N 2.94Å; K681-E685 WeakPolarHBondContact O-CB 3.43Å; K681-E685 PolarHBondContact O-N 2.85Å
682A79.5Confident75.3Confident56 Ų56112.8 Ų112.846%0.46354%0.535SS..Hα-helixtrans-59.8-46.1173.100000111.6V678 R684 E685 Y686V678-A682 WeakPolarHBondContact O-CB 3.39Å; V678-A682 PolarHBondContact O-N 3.19Å; A682-R684 PolarHBondContact O-N 3.06Å; A682-E685 PolarHBondContact O-N 3.42Å; A682-Y686 VanDerWaalsContact O-CB 3.3Å; A682-Y686 WeakPolarHBondContact O-CB 3.07Å; A682-Y686 PolarHBondContact O-N 2.93Å
683K80.1Confident75.3Confident151 Ų151112.5 Ų112.566%0.65753%0.534SS*.Hα-helixtrans-63.4-36.4173.8-77.7177.3179.6175.40112.9E679 K687E679-K683 VanDerWaalsContact O-CB 3.29Å; E679-K683 WeakPolarHBondContact O-CB 3.32Å; E679-K683 VanDerWaalsContact O-CG 3.29Å; E679-K683 WeakPolarHBondContact O-CG 3.37Å; E679-K683 PolarHBondContact O-N 3.37Å; K683-K687 WeakPolarHBondContact O-CB 3.28Å; K683-K687 PolarHBondContact O-N 2.83Å
684R73.5Confident75.8Confident186 Ų186111.5 Ų111.570%0.70253%0.532SS*.Hα-helixtrans-69.8-38.8175.8-81.2175.3-177.9-179.81.8111.9T680 K681 A682 R688T680-R684 HydrophobicContact CG2-CG 4.39Å; T680-R684 VanDerWaalsContact O-CB 3.27Å; T680-R684 WeakPolarHBondContact O-CB 3.14Å; T680-R684 WeakPolarHBondContact O-CG 2.92Å; T680-R684 PolarHBondContact O-N 3.43Å; K681-R684 PolarHBondContact O-N 2.94Å; A682-R684 PolarHBondContact O-N 3.06Å; R684-R688 WeakPolarHBondContact O-CB 2.93Å; R684-R688 PolarHBondContact O-N 3.17Å
685E74.5Confident75.7Confident104 Ų104115.6 Ų115.649%0.48654%0.541SS..Hα-helixtrans-71.5-42177.9-164.3167.3-177.800110.9K681 A682 R688 K689K681-E685 WeakPolarHBondContact O-CB 3.43Å; K681-E685 PolarHBondContact O-N 2.85Å; A682-E685 PolarHBondContact O-N 3.42Å; E685-R688 PolarHBondContact O-N 2.72Å; E685-K689 WeakPolarHBondContact O-CG 3.37Å; E685-K689 PolarHBondContact O-N 3.16Å
686Y79.7Confident75.3Confident168 Ų168112 Ų11266%0.65953%0.534SS*.Hα-helixtrans-58-51.5169-175.4-92.5000111.1A682 R688 K689 E690A682-Y686 VanDerWaalsContact O-CB 3.3Å; A682-Y686 WeakPolarHBondContact O-CB 3.07Å; A682-Y686 PolarHBondContact O-N 2.93Å; Y686-R688 VanDerWaalsContact C-N 3.27Å; Y686-R688 PolarHBondContact O-N 2.81Å; Y686-K689 PolarHBondContact O-N 3.11Å; Y686-E690 VanDerWaalsContact O-CB 3.27Å; Y686-E690 WeakPolarHBondContact O-CB 3.31Å; Y686-E690 PolarHBondContact O-N 3.38Å
687K76.6Confident75.2Confident130 Ų130107.1 Ų107.157%0.56552%0.521SS*.Hα-helixtrans-65.4-27.5177.6-159.8173-170.9176.10112.8K683 N691K683-K687 WeakPolarHBondContact O-CB 3.28Å; K683-K687 PolarHBondContact O-N 2.83Å; K687-N691 WeakPolarHBondContact O-CB 3.18Å; K687-N691 PolarHBondContact O-N 3.39Å; K687-N691 PolarHBondContact O-ND2 2.81Å; K687-N691 PolarHBondContact O-OD1 3.27Å
688R74.7Confident75.3Confident185 Ų185110.3 Ų110.370%0.69853%0.527SS*.Hα-helixtrans-71.9-47.2172.8-179.3179.7169.8154.5-1.7110.7R684 E685 Y686 E690 N691 V692R684-R688 WeakPolarHBondContact O-CB 2.93Å; R684-R688 PolarHBondContact O-N 3.17Å; E685-R688 PolarHBondContact O-N 2.72Å; Y686-R688 VanDerWaalsContact C-N 3.27Å; Y686-R688 PolarHBondContact O-N 2.81Å; R688-E690 VanDerWaalsContact C-N 3.32Å; R688-N691 PolarHBondContact O-N 2.9Å; R688-V692 WeakPolarHBondContact O-CB 3.43Å; R688-V692 VanDerWaalsContact O-CG2 3.25Å; R688-V692 WeakPolarHBondContact O-CG2 3.45Å; R688-V692 PolarHBondContact O-N 3.39Å
689K73.8Confident75.3Confident146 Ų146110 Ų11064%0.63552%0.519SS*.Hα-helixtrans-60.1-43.8173.4-72.5-176.9179.3-176.40110.6E685 Y686 V692 A693E685-K689 WeakPolarHBondContact O-CG 3.37Å; E685-K689 PolarHBondContact O-N 3.16Å; Y686-K689 PolarHBondContact O-N 3.11Å; K689-V692 PolarHBondContact O-N 2.74Å; K689-A693 VanDerWaalsContact O-CB 3.31Å; K689-A693 WeakPolarHBondContact O-CB 3.3Å; K689-A693 PolarHBondContact O-N 2.94Å
690E78.8Confident75Confident66 Ų66109.1 Ų109.131%0.30852%0.517SS..Hα-helixtrans-63-43.5175.1-167.2-164.3159.800112.1Y686 R688 A693 K694Y686-E690 VanDerWaalsContact O-CB 3.27Å; Y686-E690 WeakPolarHBondContact O-CB 3.31Å; Y686-E690 PolarHBondContact O-N 3.38Å; R688-E690 VanDerWaalsContact C-N 3.32Å; E690-A693 PolarHBondContact O-N 3.27Å; E690-K694 HydrophobicContact CG-CD 4.39Å; E690-K694 WeakPolarHBondContact O-CB 3.29Å; E690-K694 WeakPolarHBondContact O-CG 3.2Å; E690-K694 PolarHBondContact O-N 3.24Å; E690-K694 WeakPolarHBondContact OE1-CE 3.27Å; E690-K694 IonicContact OE1-NZ 3.25Å; E690-K694 PolarHBondContact OE1-NZ 3.3Å
691N76.3Confident75.1Confident72 Ų72113.8 Ų113.839%0.38553%0.533SS..Hα-helixtrans-68.1-36.2176.1-76.5-13.7000112.3K687 R688 R695K687-N691 WeakPolarHBondContact O-CB 3.18Å; K687-N691 PolarHBondContact O-N 3.39Å; K687-N691 PolarHBondContact O-ND2 2.81Å; K687-N691 PolarHBondContact O-OD1 3.27Å; R688-N691 PolarHBondContact O-N 2.9Å; N691-R695 WeakPolarHBondContact O-CB 3.29Å; N691-R695 VanDerWaalsContact O-CG 3.23Å; N691-R695 WeakPolarHBondContact O-CG 3.46Å; N691-R695 PolarHBondContact O-N 3.33Å
692V73.4Confident75.2Confident82 Ų82113 Ų11350%0.49753%0.531SS..Hα-helixtrans-66-44173.6170.30000109.7R688 K689 R695 S696R688-V692 WeakPolarHBondContact O-CB 3.43Å; R688-V692 VanDerWaalsContact O-CG2 3.25Å; R688-V692 WeakPolarHBondContact O-CG2 3.45Å; R688-V692 PolarHBondContact O-N 3.39Å; K689-V692 PolarHBondContact O-N 2.74Å; V692-R695 PolarHBondContact O-N 3.24Å; V692-S696 WeakPolarHBondContact O-CB 3.49Å; V692-S696 PolarHBondContact O-N 2.99Å; V692-S696 PolarHBondContact O-OG 3.19Å
693A73.3Confident75.1Confident52 Ų52111.5 Ų111.543%0.4351%0.514SS..Hα-helixtrans-63.8-39.4175.100000112.6K689 E690 S696 A697K689-A693 VanDerWaalsContact O-CB 3.31Å; K689-A693 WeakPolarHBondContact O-CB 3.3Å; K689-A693 PolarHBondContact O-N 2.94Å; E690-A693 PolarHBondContact O-N 3.27Å; A693-S696 VanDerWaalsContact CA-OG 3.31Å; A693-S696 WeakPolarHBondContact CA-OG 3.38Å; A693-S696 PolarHBondContact O-OG 2.82Å; A693-A697 WeakPolarHBondContact O-CB 3.43Å; A693-A697 PolarHBondContact O-N 3.01Å
694K75.7Confident74.9Confident104 Ų104107.4 Ų107.445%0.45250%0.499SS..Hα-helixtrans-64.6-45.2173.4-80.4173.9170.31680111.5E690 A697 E698E690-K694 HydrophobicContact CG-CD 4.39Å; E690-K694 WeakPolarHBondContact O-CB 3.29Å; E690-K694 WeakPolarHBondContact O-CG 3.2Å; E690-K694 PolarHBondContact O-N 3.24Å; E690-K694 WeakPolarHBondContact OE1-CE 3.27Å; E690-K694 IonicContact OE1-NZ 3.25Å; E690-K694 PolarHBondContact OE1-NZ 3.3Å; K694-A697 PolarHBondContact O-N 2.92Å; K694-E698 WeakPolarHBondContact O-CB 3.38Å; K694-E698 VanDerWaalsContact O-CG 3.3Å; K694-E698 WeakPolarHBondContact O-CG 2.98Å; K694-E698 PolarHBondContact O-N 3.49Å
695R71.4Confident75.2Confident179 Ų179102 Ų10268%0.67549%0.489SS*.Hα-helixtrans-63.7-42.2175.7-75.7173.4-178.6-174.7-1.4112.1N691 V692 E698 H699N691-R695 WeakPolarHBondContact O-CB 3.29Å; N691-R695 VanDerWaalsContact O-CG 3.23Å; N691-R695 WeakPolarHBondContact O-CG 3.46Å; N691-R695 PolarHBondContact O-N 3.33Å; V692-R695 PolarHBondContact O-N 3.24Å; R695-E698 PolarHBondContact O-N 3.45Å; R695-H699 VanDerWaalsContact O-CB 3.31Å; R695-H699 WeakPolarHBondContact O-CB 2.95Å; R695-H699 PolarHBondContact O-N 3.27Å
696S67.2Low75.4Confident69 Ų69101.1 Ų101.148%0.48349%0.488SS..Hα-helixtrans-66.9-38.7176.260.90000111.3V692 A693 H699 L700V692-S696 WeakPolarHBondContact O-CB 3.49Å; V692-S696 PolarHBondContact O-N 2.99Å; V692-S696 PolarHBondContact O-OG 3.19Å; A693-S696 VanDerWaalsContact CA-OG 3.31Å; A693-S696 WeakPolarHBondContact CA-OG 3.38Å; A693-S696 PolarHBondContact O-OG 2.82Å; S696-H699 PolarHBondContact O-N 3.41Å; S696-L700 WeakPolarHBondContact O-CB 3.44Å; S696-L700 PolarHBondContact O-N 3.48Å
697A74.2Confident75.6Confident45 Ų4594.2 Ų94.237%0.37246%0.46SS..Hα-helixtrans-68-37.9174.500000112.8A693 K694 L700 K701A693-A697 WeakPolarHBondContact O-CB 3.43Å; A693-A697 PolarHBondContact O-N 3.01Å; K694-A697 PolarHBondContact O-N 2.92Å; A697-L700 PolarHBondContact O-N 3.49Å; A697-K701 WeakPolarHBondContact O-CB 3.2Å; A697-K701 VanDerWaalsContact O-CG 3.32Å; A697-K701 WeakPolarHBondContact O-CG 3.33Å; A697-K701 PolarHBondContact O-N 3.36Å
698E76.1Confident75.7Confident116 Ų11694.6 Ų94.654%0.54246%0.464SS..Hα-helixtrans-64.6-44.7172.4-77.9169.4-174.800111.3K694 R695 L700 K701 Q702K694-E698 WeakPolarHBondContact O-CB 3.38Å; K694-E698 VanDerWaalsContact O-CG 3.3Å; K694-E698 WeakPolarHBondContact O-CG 2.98Å; K694-E698 PolarHBondContact O-N 3.49Å; R695-E698 PolarHBondContact O-N 3.45Å; E698-L700 VanDerWaalsContact C-N 3.34Å; E698-K701 PolarHBondContact O-N 3.11Å; E698-Q702 WeakPolarHBondContact O-CG 3.36Å; E698-Q702 PolarHBondContact O-N 2.93Å
699H74.8Confident76Confident97 Ų9790 Ų9045%0.44946%0.46SS..Hα-helixtrans-62.9-41.2175.5-164.3-104.6000111.5R695 S696 Q702 K703 D839R695-H699 VanDerWaalsContact O-CB 3.31Å; R695-H699 WeakPolarHBondContact O-CB 2.95Å; R695-H699 PolarHBondContact O-N 3.27Å; S696-H699 PolarHBondContact O-N 3.41Å; H699-Q702 PolarHBondContact O-N 3.14Å; H699-K703 WeakPolarHBondContact CE1-CE 3.25Å; H699-K703 WeakPolarHBondContact O-CG 3.48Å; H699-K703 PolarHBondContact O-N 3.33Å; H699-D839 IonicContact CE1-OD2 2.7Å
700L72.5Confident76.2Confident77 Ų7787.1 Ų87.140%0.40346%0.455SS..Hα-helixtrans-62.2-44.1173.6-168.391.8000111.5S696 A697 E698 Q702 K703 I704S696-L700 WeakPolarHBondContact O-CB 3.44Å; S696-L700 PolarHBondContact O-N 3.48Å; A697-L700 PolarHBondContact O-N 3.49Å; E698-L700 VanDerWaalsContact C-N 3.34Å; L700-Q702 VanDerWaalsContact C-N 3.34Å; L700-Q702 PolarHBondContact O-N 3.09Å; L700-K703 WeakPolarHBondContact O-CB 3.02Å; L700-K703 PolarHBondContact O-N 2.83Å; L700-I704 HydrophobicContact CD2-CD1 3.95Å; L700-I704 HydrophobicContact CG-CD1 3.95Å; L700-I704 VanDerWaalsContact O-CG1 3.32Å; L700-I704 WeakPolarHBondContact O-CG1 3.21Å; L700-I704 PolarHBondContact O-N 3.25Å
701K75.8Confident76.2Confident154 Ų15491.2 Ų91.267%0.6748%0.479SS*.Hα-helixtrans-61.3-40.8175.2-78.1177.9-179.7-174.90112.3A697 E698 I704 S705A697-K701 WeakPolarHBondContact O-CB 3.2Å; A697-K701 VanDerWaalsContact O-CG 3.32Å; A697-K701 WeakPolarHBondContact O-CG 3.33Å; A697-K701 PolarHBondContact O-N 3.36Å; E698-K701 PolarHBondContact O-N 3.11Å; K701-I704 PolarHBondContact O-N 3.44Å; K701-S705 VanDerWaalsContact O-CB 3.32Å; K701-S705 WeakPolarHBondContact O-CB 3.46Å; K701-S705 PolarHBondContact O-N 2.57Å
702Q78.3Confident76.4Confident133 Ų13388.9 Ų88.962%0.62147%0.465SS*.Hα-helixtrans-63.6-42.9174.9-72.9173.24.900111.3E698 H699 L700 S705 L706E698-Q702 WeakPolarHBondContact O-CG 3.36Å; E698-Q702 PolarHBondContact O-N 2.93Å; H699-Q702 PolarHBondContact O-N 3.14Å; L700-Q702 VanDerWaalsContact C-N 3.34Å; L700-Q702 PolarHBondContact O-N 3.09Å; Q702-S705 PolarHBondContact O-N 3.28Å; Q702-L706 WeakPolarHBondContact O-CB 3.39Å; Q702-L706 PolarHBondContact O-N 2.88Å
703K77.1Confident76.6Confident26 Ų2689.6 Ų89.611%0.11346%0.461CS..Hα-helixtrans-60.3-50.8173.6-75.1-172.8177.9-1700112.1H699 L700 S705 L706 W707 D839H699-K703 WeakPolarHBondContact CE1-CE 3.25Å; H699-K703 WeakPolarHBondContact O-CG 3.48Å; H699-K703 PolarHBondContact O-N 3.33Å; L700-K703 WeakPolarHBondContact O-CB 3.02Å; L700-K703 PolarHBondContact O-N 2.83Å; K703-S705 VanDerWaalsContact C-N 3.3Å; K703-S705 PolarHBondContact O-N 3.19Å; K703-L706 WeakPolarHBondContact O-CB 3.47Å; K703-L706 PolarHBondContact O-N 2.8Å; K703-L706 VanDerWaalsContact O-N 3.11Å; K703-W707 HydrophobicContact CB-CZ2 4.33Å; K703-W707 VanDerWaalsContact O-CD1 3.24Å; K703-W707 PolarHBondContact O-N 3.45Å; K703-D839 WeakPolarHBondContact CE-O 2.91Å; K703-D839 WeakPolarHBondContact CE-OD2 3.49Å; K703-D839 PolarHBondContact NZ-O 3.33Å; K703-D839 IonicContact NZ-OD1 2.95Å; K703-D839 IonicContact NZ-OD2 2.73Å; K703-D839 PolarHBondContact NZ-OD2 2.99Å
704I75.9Confident76.9Confident65 Ų6589.5 Ų89.533%0.33346%0.456SS..Hα-helixtrans-60.6-40.8179.3-67.6166000110.8L700 K701 W707 Q708L700-I704 HydrophobicContact CD2-CD1 3.95Å; L700-I704 HydrophobicContact CG-CD1 3.95Å; L700-I704 VanDerWaalsContact O-CG1 3.32Å; L700-I704 WeakPolarHBondContact O-CG1 3.21Å; L700-I704 PolarHBondContact O-N 3.25Å; K701-I704 PolarHBondContact O-N 3.44Å; I704-W707 HydrophobicContact CG1-CE3 4.28Å; I704-W707 HydrophobicContact CG1-CZ3 4.37Å; I704-W707 PolarHBondContact O-N 2.94Å; I704-Q708 HydrophobicContact CG2-CG 4.48Å; I704-Q708 WeakPolarHBondContact O-CB 3.27Å; I704-Q708 VanDerWaalsContact O-CG 3.3Å; I704-Q708 WeakPolarHBondContact O-CG 3.45Å; I704-Q708 PolarHBondContact O-N 2.66Å
705S79.1Confident77.2Confident71 Ų7185.1 Ų85.150%0.49744%0.436SS..Hα-helixtrans-64.6-38.6175.6-175.50000112.4K701 Q702 K703 S709K701-S705 VanDerWaalsContact O-CB 3.32Å; K701-S705 WeakPolarHBondContact O-CB 3.46Å; K701-S705 PolarHBondContact O-N 2.57Å; Q702-S705 PolarHBondContact O-N 3.28Å; K703-S705 VanDerWaalsContact C-N 3.3Å; K703-S705 PolarHBondContact O-N 3.19Å; S705-S709 PolarHBondContact O-N 2.83Å; S705-S709 VanDerWaalsContact O-N 3.11Å
706L80.1Confident77.6Confident86 Ų8677.3 Ų77.345%0.4541%0.41SS..Hα-helixtrans-64.3-45.2173.5179.468.2000110.4Q702 K703 Q708 S709 V710Q702-L706 WeakPolarHBondContact O-CB 3.39Å; Q702-L706 PolarHBondContact O-N 2.88Å; K703-L706 WeakPolarHBondContact O-CB 3.47Å; K703-L706 PolarHBondContact O-N 2.8Å; K703-L706 VanDerWaalsContact O-N 3.11Å; L706-Q708 VanDerWaalsContact C-N 3.34Å; L706-Q708 PolarHBondContact O-N 2.94Å; L706-S709 PolarHBondContact O-N 2.92Å; L706-S709 VanDerWaalsContact O-N 3.08Å; L706-S709 PolarHBondContact O-OG 3.47Å; L706-V710 WeakPolarHBondContact O-CG2 3.15Å; L706-V710 PolarHBondContact O-N 2.91Å
707W83Confident77.9Confident23 Ų2374.9 Ų74.99%0.08739%0.391CS..Hα-helixtrans-61.4-42.3178.2-61.5-12000112.2K703 I704 S709 V710 D711 Y712 M838 D840K703-W707 HydrophobicContact CB-CZ2 4.33Å; K703-W707 VanDerWaalsContact O-CD1 3.24Å; K703-W707 PolarHBondContact O-N 3.45Å; I704-W707 HydrophobicContact CG1-CE3 4.28Å; I704-W707 HydrophobicContact CG1-CZ3 4.37Å; I704-W707 PolarHBondContact O-N 2.94Å; W707-S709 VanDerWaalsContact C-N 3.28Å; W707-S709 PolarHBondContact O-N 2.84Å; W707-V710 CarbonylContact O-C 3.52Å; W707-V710 PolarHBondContact O-N 2.85Å; W707-D711 PolarHBondContact O-N 3.12Å; W707-Y712 HydrophobicContact CB-CD1 4Å; W707-Y712 AromaticContact CD1-CD1 3.7Å; W707-Y712 AromaticContact CD2-CD1 3.77Å; W707-Y712 HydrophobicContact CD2-CD1 3.77Å; W707-Y712 HydrophobicContact CD2-CE1 4.11Å; W707-Y712 AromaticContact CE2-CE1 4Å; W707-Y712 HydrophobicContact CE3-CD1 4.39Å; W707-Y712 AromaticContact CG-CD1 3.57Å; W707-Y712 HydrophobicContact CG-CD1 3.57Å; W707-Y712 HydrophobicContact CG-CE1 4.33Å; W707-Y712 HydrophobicContact CG-CG 4.44Å; W707-Y712 HydrophobicContact CZ2-CE1 4.39Å; W707-Y712 AromaticContact NE1-CD1 3.97Å; W707-Y712 PolarHBondContact O-N 3.15Å; W707-M838 PolarHBondContact NE1-O 2.73Å; W707-D840 VanDerWaalsContact CH2-OD1 3.29Å; W707-D840 WeakPolarHBondContact CH2-OD1 3.37Å; W707-D840 HydrophobicContact CZ2-CB 3.87Å; W707-D840 WeakPolarHBondContact CZ2-OD1 3.31Å
708Q78.5Confident77.5Confident138 Ų13874.4 Ų74.465%0.64538%0.381SS*.Hα-helixtrans-62.8-32.2173.7-74.3174-14.500112.8I704 L706 V710I704-Q708 HydrophobicContact CG2-CG 4.48Å; I704-Q708 WeakPolarHBondContact O-CB 3.27Å; I704-Q708 VanDerWaalsContact O-CG 3.3Å; I704-Q708 WeakPolarHBondContact O-CG 3.45Å; I704-Q708 PolarHBondContact O-N 2.66Å; L706-Q708 VanDerWaalsContact C-N 3.34Å; L706-Q708 PolarHBondContact O-N 2.94Å; Q708-V710 VanDerWaalsContact C-N 3.27Å; Q708-V710 PolarHBondContact O-N 3.39Å
709S80.5Confident76.6Confident88 Ų8871.5 Ų71.562%0.61537%0.365SS*.Hα-helixtrans-75.2-16.8177.671.60000114.1S705 L706 W707S705-S709 PolarHBondContact O-N 2.83Å; S705-S709 VanDerWaalsContact O-N 3.11Å; L706-S709 PolarHBondContact O-N 2.92Å; L706-S709 VanDerWaalsContact O-N 3.08Å; L706-S709 PolarHBondContact O-OG 3.47Å; W707-S709 VanDerWaalsContact C-N 3.28Å; W707-S709 PolarHBondContact O-N 2.84Å
710V79Confident75.5Confident86 Ų8673.1 Ų73.152%0.52138%0.377SS..THydrogen-bonded Turntrans-1178.5-176.9-170.30000110.9L706 W707 Q708 Y712 M838L706-V710 WeakPolarHBondContact O-CG2 3.15Å; L706-V710 PolarHBondContact O-N 2.91Å; W707-V710 CarbonylContact O-C 3.52Å; W707-V710 PolarHBondContact O-N 2.85Å; Q708-V710 VanDerWaalsContact C-N 3.27Å; Q708-V710 PolarHBondContact O-N 3.39Å; V710-Y712 PolarHBondContact O-N 3.44Å; V710-M838 HydrophobicContact CB-CE 3.65Å; V710-M838 HydrophobicContact CG1-CE 3.83Å; V710-M838 HydrophobicContact CG2-CE 4.03Å
711D79.2Confident74.2Confident153 Ų15373.7 Ų73.782%0.81838%0.378SS*.THydrogen-bonded Turntrans49.636-174-69-34.2000114W707W707-D711 PolarHBondContact O-N 3.12Å
712Y80Confident72.5Confident22 Ų2267.5 Ų67.59%0.08635%0.354CS..PPolyproline II helixtrans-84.2125.8177.9176-97.5000111.5W707 V710 L834 M838 D840W707-Y712 HydrophobicContact CB-CD1 4Å; W707-Y712 AromaticContact CD1-CD1 3.7Å; W707-Y712 AromaticContact CD2-CD1 3.77Å; W707-Y712 HydrophobicContact CD2-CD1 3.77Å; W707-Y712 HydrophobicContact CD2-CE1 4.11Å; W707-Y712 AromaticContact CE2-CE1 4Å; W707-Y712 HydrophobicContact CE3-CD1 4.39Å; W707-Y712 AromaticContact CG-CD1 3.57Å; W707-Y712 HydrophobicContact CG-CD1 3.57Å; W707-Y712 HydrophobicContact CG-CE1 4.33Å; W707-Y712 HydrophobicContact CG-CG 4.44Å; W707-Y712 HydrophobicContact CZ2-CE1 4.39Å; W707-Y712 AromaticContact NE1-CD1 3.97Å; W707-Y712 PolarHBondContact O-N 3.15Å; V710-Y712 PolarHBondContact O-N 3.44Å; Y712-L834 HydrophobicContact CD2-CD2 3.76Å; Y712-L834 HydrophobicContact CD2-CG 3.94Å; Y712-L834 HydrophobicContact CE2-CD2 3.79Å; Y712-L834 HydrophobicContact CE2-CG 3.79Å; Y712-M838 VanDerWaalsContact CB-CE 3.44Å; Y712-M838 HydrophobicContact CD1-CB 4.31Å; Y712-M838 HydrophobicContact CD1-CE 4.4Å; Y712-M838 HydrophobicContact CD1-CG 4.35Å; Y712-M838 HydrophobicContact CD2-CE 4.38Å; Y712-M838 HydrophobicContact CD2-CG 3.92Å; Y712-M838 HydrophobicContact CE1-CB 4.14Å; Y712-M838 HydrophobicContact CE2-CB 4.38Å; Y712-M838 HydrophobicContact CE2-CG 4.11Å; Y712-M838 HydrophobicContact CG-CB 4.5Å; Y712-M838 HydrophobicContact CG-CE 3.84Å; Y712-M838 HydrophobicContact CG-CG 4.05Å; Y712-D840 HydrophobicContact CE1-CB 4.23Å; Y712-D840 WeakPolarHBondContact CE1-OD2 3.38Å; Y712-D840 PolarHBondContact OH-OD2 3.32Å
713K77.2Confident70.5Confident97 Ų9766.1 Ų66.142%0.42235%0.35SS..PPolyproline II helixtrans-103.3132.3169.1-61.6-177177.5-179.20110T869 D872K713-T869 HydrophobicContact CB-CG2 3.52Å; K713-T869 HydrophobicContact CD-CG2 3.91Å; K713-T869 HydrophobicContact CG-CG2 4.39Å; K713-D872 IonicContact NZ-OD1 3.53Å; K713-D872 IonicContact NZ-OD2 3.24Å; K713-D872 PolarHBondContact NZ-OD2 2.79Å
714T80Confident68.6Low51 Ų5169.4 Ų69.431%0.31337%0.367SS..PPolyproline II helixtrans-71.7140.5178.6-1750000111.9S716 D840T714-S716 PolarHBondContact OG1-N 3.2Å; T714-D840 VanDerWaalsContact CB-OD2 3.32Å; T714-D840 WeakPolarHBondContact CB-OD2 3.41Å; T714-D840 PolarHBondContact OG1-OD1 2.83Å; T714-D840 PolarHBondContact OG1-OD2 3.2Å
715F80.7Confident66.7Low11 Ų1167.9 Ų67.95%0.04837%0.365CS..  trans-96.6-3.6172.3-71.5-91.5000113V831 L847 I848 V849 I867F715-V831 HydrophobicContact CB-CG1 4.25Å; F715-V831 HydrophobicContact CD1-CG1 4.29Å; F715-V831 HydrophobicContact CD2-CG1 3.48Å; F715-V831 VanDerWaalsContact CD2-CG1 3.48Å; F715-V831 HydrophobicContact CE2-CG1 3.77Å; F715-V831 HydrophobicContact CE2-CG2 4.06Å; F715-V831 HydrophobicContact CG-CG1 3.75Å; F715-V831 HydrophobicContact CZ-CG1 4.26Å; F715-V831 HydrophobicContact CZ-CG2 4.01Å; F715-L847 HydrophobicContact CB-CB 4.46Å; F715-L847 HydrophobicContact CB-CD2 4.48Å; F715-L847 WeakPolarHBondContact O-CA 3.35Å; F715-I848 WeakPolarHBondContact CD1-O 3.17Å; F715-I848 PolarHBondContact O-N 3.36Å; F715-V849 HydrophobicContact CD1-CG2 4.46Å; F715-I867 HydrophobicContact CE1-CG2 4.38Å; F715-I867 HydrophobicContact CE2-CG2 4.45Å; F715-I867 HydrophobicContact CZ-CG2 3.56Å
716S79.8Confident64.8Low16 Ų1670.7 Ų70.711%0.11237%0.37CS..BIsolated β-bridgetrans-76.4132178.8-66.60000110.7T714 C846T714-S716 PolarHBondContact OG1-N 3.2Å; S716-C846 WeakPolarHBondContact CA-O 3.3Å
717V74.6Confident62.5Low17 Ų1770.6 Ų70.610%0.10338%0.376CS..  trans-106.5138.7-175.3-153.90000111.4C846 I848 F870V717-C846 PolarHBondContact N-O 3.31Å; V717-I848 HydrophobicContact CB-CD1 4.5Å; V717-I848 HydrophobicContact CG2-CB 4.03Å; V717-I848 HydrophobicContact CG2-CD1 3.66Å; V717-I848 HydrophobicContact CG2-CG1 3.73Å; V717-F870 HydrophobicContact CG1-CD1 4.25Å; V717-F870 HydrophobicContact CG2-CD1 4.41Å
718F64.8Low59.9Low35 Ų3574.9 Ų74.915%0.15440%0.401CS..  trans58.442.3171.4-49.3-58.2000117.8D720 E721 A932 M935 A936F718-D720 VanDerWaalsContact C-N 3.27Å; F718-D720 PolarHBondContact O-N 3.41Å; F718-E721 HydrophobicContact CB-CB 4.47Å; F718-E721 VanDerWaalsContact CD1-OE2 3.29Å; F718-E721 WeakPolarHBondContact CD1-OE2 3.23Å; F718-A932 WeakPolarHBondContact CD2-O 3.4Å; F718-M935 HydrophobicContact CB-CE 3.7Å; F718-M935 HydrophobicContact CD2-CB 3.69Å; F718-M935 HydrophobicContact CD2-CE 4.06Å; F718-M935 HydrophobicContact CE2-CB 3.69Å; F718-M935 HydrophobicContact CG-CB 4.41Å; F718-M935 HydrophobicContact CG-CE 3.98Å; F718-M935 HydrophobicContact CZ-CB 4.47Å; F718-A936 HydrophobicContact CE2-CB 3.93Å
719R58.9Low57.6Low56 Ų5677 Ų7721%0.21141%0.411CS..THydrogen-bonded Turntrans-53.6-38.8175.4-88.1-170.8169.3149.95.9114.7S722 D840 N842 D845R719-S722 PolarHBondContact O-OG 2.96Å; R719-D840 IonicContact CZ-OD1 3.48Å; R719-D840 IonicContact NH1-OD1 3.55Å; R719-D840 PolarHBondContact NH1-OD1 2.89Å; R719-D840 PolarHBondContact NH2-O 3.42Å; R719-D840 IonicContact NH2-OD1 3.27Å; R719-D840 PolarHBondContact NH2-OD1 3.4Å; R719-N842 VanDerWaalsContact CZ-ND2 3.31Å; R719-N842 PolarHBondContact NE-ND2 3.24Å; R719-N842 PolarHBondContact NH2-ND2 3.08Å; R719-D845 IonicContact CZ-OD2 3.57Å; R719-D845 VanDerWaalsContact CZ-OD2 3.25Å; R719-D845 IonicContact NE-OD1 3.8Å; R719-D845 IonicContact NE-OD2 3.57Å; R719-D845 PolarHBondContact NE-OD2 2.83Å; R719-D845 IonicContact NH2-OD2 3.27Å; R719-D845 PolarHBondContact NH2-OD2 2.77Å
720D49.7Very low55.2Low130 Ų13079.1 Ų79.170%0.69541%0.406SS*.THydrogen-bonded Turntrans-95.2-22.2-172.7-68.9-30.4000114.5F718F718-D720 VanDerWaalsContact C-N 3.27Å; F718-D720 PolarHBondContact O-N 3.41Å
721E45.5Very low52.7Low89 Ų8979.4 Ų79.442%0.41641%0.41SS..THydrogen-bonded Turntrans-84-22.7-178.4-70.8179.8163.200113F718 I723 I724 R939F718-E721 HydrophobicContact CB-CB 4.47Å; F718-E721 VanDerWaalsContact CD1-OE2 3.29Å; F718-E721 WeakPolarHBondContact CD1-OE2 3.23Å; E721-I723 PolarHBondContact O-N 2.92Å; E721-I724 PolarHBondContact O-N 3.41Å; E721-I724 VanDerWaalsContact O-N 3.16Å; E721-R939 IonicContact OE2-NH2 2.65Å
722S41Very low50.3Low24 Ų2479.4 Ų79.417%0.16841%0.405CS..THydrogen-bonded Turntrans-65.6-22.2179.764.30000114.2R719R719-S722 PolarHBondContact O-OG 2.96Å
723I37.2Very low47.8Very low105 Ų10584 Ų8454%0.53844%0.437SS..THydrogen-bonded Turntrans-79.2-27.4177.8-56.9173.8000111E721 A725 E726E721-I723 PolarHBondContact O-N 2.92Å; I723-A725 VanDerWaalsContact C-N 3.29Å; I723-A725 PolarHBondContact O-N 2.7Å; I723-E726 PolarHBondContact O-N 3.32Å
724I35.7Very low45.6Very low94 Ų9485.2 Ų85.248%0.48245%0.448SS..Hα-helixtrans-71.5-29.3-177.9-56.3175000110.6E721 E726 S727 N728E721-I724 PolarHBondContact O-N 3.41Å; E721-I724 VanDerWaalsContact O-N 3.16Å; I724-E726 PolarHBondContact O-N 3.32Å; I724-S727 PolarHBondContact O-N 3.05Å; I724-S727 VanDerWaalsContact O-N 3.13Å; I724-S727 PolarHBondContact O-OG 3.33Å; I724-N728 PolarHBondContact O-N 3.28Å
725A37.4Very low43.1Very low34 Ų3487.7 Ų87.728%0.28146%0.456SS..Hα-helixtrans-65-22.6174.400000113.7I723I723-A725 VanDerWaalsContact C-N 3.29Å; I723-A725 PolarHBondContact O-N 2.7Å
726E37.4Very low40.7Very low130 Ų13098.2 Ų98.261%0.60750%0.495SS*.Hα-helixtrans-83.6-18.6174.9-72.6179.217900112.7I723 I724 K928I723-E726 PolarHBondContact O-N 3.32Å; I724-E726 PolarHBondContact O-N 3.32Å; E726-K928 WeakPolarHBondContact OE1-CE 3.47Å; E726-K928 IonicContact OE1-NZ 2.72Å; E726-K928 PolarHBondContact OE1-NZ 3.43Å; E726-K928 IonicContact OE2-NZ 2.81Å
727S33Very low38.6Very low83 Ų83102.8 Ų102.858%0.5852%0.519SS*.Hα-helixtrans-94.9-20.7-177.256.10000115.1I724 H729I724-S727 PolarHBondContact O-N 3.05Å; I724-S727 VanDerWaalsContact O-N 3.13Å; I724-S727 PolarHBondContact O-OG 3.33Å; S727-H729 PolarHBondContact O-N 3.49Å
728N28.7Very low36.6Very low114 Ų114108 Ų10861%0.6154%0.542SS*.SBendtrans-90103.2170.2-72-19.7000108.3I724 Y730I724-N728 PolarHBondContact O-N 3.28Å; N728-Y730 PolarHBondContact O-N 3.12Å
729H28.8Very low34.9Very low182 Ų182113.9 Ų113.984%0.84357%0.574SS**  trans-44.9112.5164.4-94.637.4000108.9S727 P731S727-H729 PolarHBondContact O-N 3.49Å; H729-P731 WeakPolarHBondContact O-CD 3.29Å
730Y30.8Very low33.6Very low132 Ų132119 Ų11952%0.51860%0.6SS.*  trans-61.5121.4166.9-79.9-83.8000107.5N728 H732 H973N728-Y730 PolarHBondContact O-N 3.12Å; Y730-H732 PolarHBondContact O-N 2.74Å; Y730-H973 AromaticContact CE1-CE1 3.34Å; Y730-H973 WeakPolarHBondContact CE1-CE1 3.45Å; Y730-H973 AromaticContact CE1-NE2 3.67Å; Y730-H973 AromaticContact CZ-CE1 4Å; Y730-H973 AromaticContact CZ-NE2 3.95Å
731P25.6Very low32.8Very low93 Ų93119.2 Ų119.260%0.60460%0.601SS**  trans-64.3135.8174.328.1-30.8000107.5H729H729-P731 WeakPolarHBondContact O-CD 3.29Å
732H29.3Very low32.1Very low152 Ų152121.1 Ų121.170%0.70462%0.619SS**  trans-42.9153.2166-107.3-89.8000110.9Y730 N734Y730-H732 PolarHBondContact O-N 2.74Å; H732-N734 PolarHBondContact O-N 3.47Å
733P27.5Very low31.6Very low119 Ų119127.6 Ų127.677%0.77365%0.651SS**THydrogen-bonded Turntrans-62.518.6176.9-17.930.7000116.2
734N31Very low31.2Very low122 Ų122127.8 Ų127.865%0.65266%0.657SS**THydrogen-bonded Turntrans-103.89.9-177.7-74.2-4.4000114.4H732H732-N734 PolarHBondContact O-N 3.47Å
735H28.6Very low30.9Very low104 Ų104129.9 Ų129.948%0.48167%0.669SS.*  trans-104.365.8174.4-93-58.2000112.8D737 Q738H735-D737 VanDerWaalsContact C-N 3.29Å; H735-Q738 PolarHBondContact CE1-NE2 2.86Å; H735-Q738 PolarHBondContact CE1-OE1 3.33Å; H735-Q738 VanDerWaalsContact CE1-OE1 3.32Å; H735-Q738 WeakPolarHBondContact ND1-CG 3.13Å; H735-Q738 PolarHBondContact ND1-OE1 3.27Å
736R29.5Very low30.6Very low231 Ų231136 Ų13687%0.87270%0.697SS**SBendtrans-83-8.4161.4-153.3172-176.3169.80.6112.5
737D35.1Very low30.2Very low112 Ų112136.4 Ų136.460%0.59970%0.703SS**SBendtrans-107.811.1-169.6-63.1-11.9000115.2H735H735-D737 VanDerWaalsContact C-N 3.29Å
738Q32.7Very low30.3Very low127 Ų127139.7 Ų139.759%0.59371%0.714SS**SBendtrans-1161.9-178.8-81.8-174.4-2.600115.6H735H735-Q738 PolarHBondContact CE1-NE2 2.86Å; H735-Q738 PolarHBondContact CE1-OE1 3.33Å; H735-Q738 VanDerWaalsContact CE1-OE1 3.32Å; H735-Q738 WeakPolarHBondContact ND1-CG 3.13Å; H735-Q738 PolarHBondContact ND1-OE1 3.27Å
739L29.9Very low30.3Very low158 Ų158143.7 Ų143.783%0.82773%0.727SS**SBendtrans-93.80172.4-93.8153.4000113.9
740E32.1Very low30.2Very low164 Ų164143.1 Ų143.177%0.76672%0.722SS**SBendtrans-98.5-3.4176.1-79.8-176.8155.600114.5
741N33.1Very low30.2Very low134 Ų134144.5 Ų144.572%0.71774%0.738SS**SBendtrans-116.514.5-172.1-75.8-41.4000115.6
742V30.8Very low30.4Very low129 Ų129149 Ų14978%0.78275%0.751SS**SBendtrans-118.18.9177.5-173.80000112.4
743L29Very low30.5Very low161 Ų161149.3 Ų149.384%0.84376%0.756SS**  trans-10663.1173.5-66.5172000110.5
744V29.5Very low30.6Very low108 Ų108149 Ų14966%0.65575%0.753SS**  trans-137.8123.2168.2-1760000106.6
745N28.8Very low30.4Very low138 Ų138150.7 Ų150.774%0.73876%0.761SS**SBendtrans85.685.1-178.6-40.3-46.3000114.6
746D31.3Very low30.4Very low164 Ų164154.8 Ų154.888%0.87778%0.781SS**  179.896.9119.8-84.7-18.2000107.2
747D28.8Very low30.3Very low137 Ų137153.1 Ų153.173%0.73379%0.785SS**  trans-65.3120.6166.3-62.4-52.3000107.7
748D34.6Very low29.9Very low153 Ų153152.2 Ų152.282%0.81879%0.793SS**SBendtrans1638.5152.5-83.4-16.2000115.6
749F29.7Very low29.5Very low197 Ų197151.3 Ų151.386%0.86480%0.801SS**  trans-134.144178.1-101.2-86.7000114.7
750K27.5Very low29.4Very low171 Ų171153 Ų15374%0.74381%0.805SS**  trans-102.46.5-168.2-101.7-178.4-179170.90118.4
751D30.5Very low29Very low161 Ų161154.7 Ų154.786%0.86181%0.812SS**SBendtrans-117.15.8-171.8-73.5-23.5000117.7
752E30Very low28.7Very low188 Ų188152.9 Ų152.988%0.87981%0.81SS**SBendtrans-132.32-175.1-88.8-174.6166.300118.2
753I31.6Very low28.6Very low158 Ų158151.9 Ų151.981%0.8181%0.807SS**SBendtrans-120.7-4-174.2-58.7-179.8000113.9
754T28.4Very low28.7Very low113 Ų113149.2 Ų149.269%0.69379%0.786SS**SBendtrans-110.13.8-168.536.90000116.3
755N27.4Very low28.7Very low156 Ų156148 Ų14883%0.83480%0.795SS**SBendtrans-127.611.1-175.5-82.4-26.7000117.3
756E27.8Very low29.4Very low190 Ų190146.5 Ų146.589%0.88879%0.791SS**SBendtrans-120.38.5178.4-76.3-166.516400116.4
757M27.8Very low30.6Very low196 Ų196145.8 Ų145.897%0.96679%0.787SS**SBendtrans-11415176.6-74.3-169.7167.500114.9
758A26.2Very low32.4Very low93 Ų93140.9 Ų140.977%0.76977%0.766SS**SBendtrans-113.456.417500000110.9
759S25.5Very low34.5Very low109 Ų109134.2 Ų134.276%0.76273%0.733SS**SBendtrans174.177.316039.60000110.6
760E27.1Very low37Very low194 Ų194125.2 Ų125.291%0.90769%0.694SS**  trans-163.6101.4152.4-109.6171.5-150.900107.8S762E760-S762 PolarHBondContact O-N 3.3Å
761E24.7Very low39.6Very low198 Ų198120.7 Ų120.793%0.92567%0.673SS**  trans-58103.7172.4-70.2178.4152.100109.2
762S26.8Very low42Very low96 Ų96115.6 Ų115.667%0.67164%0.642SS**  trans-68.8130.9170.481.80000109.2E760 Y764E760-S762 PolarHBondContact O-N 3.3Å; S762-Y764 PolarHBondContact O-N 2.95Å
763P27.8Very low44Very low108 Ų108108.6 Ų108.670%0.70161%0.609SS**SBendtrans-75.916.8-165.6-15.230.4000117.2
764Y32Very low45.8Very low106 Ų106106.4 Ų106.442%0.41660%0.597SS.*  trans-12776-169.5-53-64.5000113.4S762 T766 M787 I793S762-Y764 PolarHBondContact O-N 2.95Å; Y764-T766 PolarHBondContact O-N 3.32Å; Y764-M787 HydrophobicContact CE1-SD 4.48Å; Y764-I793 HydrophobicContact CD1-CD1 4.37Å; Y764-I793 HydrophobicContact CE1-CD1 3.28Å; Y764-I793 HydrophobicContact CE1-CG1 3.91Å; Y764-I793 VanDerWaalsContact OH-CD1 3.31Å; Y764-I793 WeakPolarHBondContact OH-CD1 3.43Å; Y764-I793 WeakPolarHBondContact OH-CG1 3.23Å; Y764-I793 VanDerWaalsContact OH-CG2 3.27Å; Y764-I793 WeakPolarHBondContact OH-CG2 3.4Å
765G28.4Very low47.7Very low82 Ų82102.2 Ų102.285%0.84558%0.576SS**  trans-83.585.817500000114
766T42.8Very low49.8Very low106 Ų10698 Ų9865%0.6555%0.554SS**  trans-140117.6161.5430000110Y764Y764-T766 PolarHBondContact O-N 3.32Å
767D57.9Low52.1Low149 Ų14989.2 Ų89.280%0.79751%0.514SS*.  trans-51.9136.8172.6-75-30000111G769 Y771D767-G769 PolarHBondContact O-N 3.08Å; D767-Y771 PolarHBondContact O-OH 3.22Å
768A65.9Low54.2Low35 Ų3580 Ų8029%0.28947%0.469SS..  trans-60.1129.2175.300000110.2V971 H975A768-V971 WeakPolarHBondContact O-CG1 3.38Å; A768-H975 HydrophobicContact CB-CB 4.26Å; A768-H975 VanDerWaalsContact CB-O 3.31Å; A768-H975 WeakPolarHBondContact CB-O 3.27Å
769G78Confident56.4Low12 Ų1282.1 Ų82.112%0.12446%0.463CS..  trans-159177.9-173.500000113.7D767 Y771 V978D767-G769 PolarHBondContact O-N 3.08Å; G769-Y771 VanDerWaalsContact O-CD2 3.32Å; G769-Y771 WeakPolarHBondContact O-CD2 3.42Å; G769-Y771 WeakPolarHBondContact O-CE2 3.08Å; G769-V978 PolarHBondContact O-N 3.35Å
770I82.7Confident58.3Low9 Ų977.5 Ų77.55%0.04643%0.43CS..EExtended strand (participates in β ladder)trans-96.9122.9172.3-54.4-178000108.2P325 Y772 E963 L966 R967 V971 V978 V980P325-I770 HydrophobicContact CB-CB 4.37Å; I770-Y772 HydrophobicContact CG2-CE2 4.15Å; I770-E963 HydrophobicContact CD1-CG 3.66Å; I770-L966 HydrophobicContact CD1-CB 4.21Å; I770-R967 HydrophobicContact CD1-CB 4.05Å; I770-V971 HydrophobicContact CD1-CG2 4.49Å; I770-V971 HydrophobicContact CG1-CG2 3.81Å; I770-V978 CarbonylContact C-O 3.53Å; I770-V978 WeakPolarHBondContact CA-O 3.14Å; I770-V978 HydrophobicContact CG1-CB 4.41Å; I770-V980 HydrophobicContact CG2-CG2 3.74Å
771Y81.5Confident59.8Low75 Ų7574.2 Ų74.229%0.29442%0.418SS..EExtended strand (participates in β ladder)trans-119.6122.4-173.6-63.3-81.5000110.6D767 G769 V978 Y979 V980D767-Y771 PolarHBondContact O-OH 3.22Å; G769-Y771 VanDerWaalsContact O-CD2 3.32Å; G769-Y771 WeakPolarHBondContact O-CD2 3.42Å; G769-Y771 WeakPolarHBondContact O-CE2 3.08Å; Y771-V978 PolarHBondContact N-O 3.17Å; Y771-Y979 HydrophobicContact CD2-CD1 4.41Å; Y771-Y979 AromaticContact CD2-CE1 3.99Å; Y771-Y979 HydrophobicContact CD2-CE1 3.99Å; Y771-Y979 HydrophobicContact CG-CD1 4.24Å; Y771-Y979 AromaticContact CG-CE1 3.92Å; Y771-Y979 HydrophobicContact CG-CE1 3.92Å; Y771-Y979 CarbonylContact O-C 3.5Å; Y771-Y979 VanDerWaalsContact O-CA 3.25Å; Y771-Y979 WeakPolarHBondContact O-CA 3.49Å; Y771-V980 PolarHBondContact O-N 3.45Å
772Y80.8Confident61.2Low54 Ų5466.4 Ų66.421%0.21239%0.385CS..EExtended strand (participates in β ladder)trans-90.5126.9179-69.7-85.8000111.2E324 P325 I770 W959 E963 V980E324-Y772 HydrophobicContact CB-CD2 4.35Å; E324-Y772 HydrophobicContact CB-CE2 3.69Å; E324-Y772 WeakPolarHBondContact OE2-CE1 3.25Å; P325-Y772 HydrophobicContact CB-CE2 4.21Å; I770-Y772 HydrophobicContact CG2-CE2 4.15Å; Y772-W959 HydrophobicContact CE1-CZ2 4.12Å; Y772-W959 AromaticContact CE1-NE1 3.94Å; Y772-W959 AromaticContact CZ-NE1 3.9Å; Y772-W959 PolarHBondContact OH-NE1 2.85Å; Y772-E963 PolarHBondContact OH-OE2 3.3Å; Y772-V980 CarbonylContact C-O 3.58Å; Y772-V980 WeakPolarHBondContact CA-O 3.4Å; Y772-V980 HydrophobicContact CD1-CB 3.75Å; Y772-V980 HydrophobicContact CD1-CG1 3.97Å; Y772-V980 HydrophobicContact CE1-CB 3.81Å; Y772-V980 HydrophobicContact CE1-CG1 3.82Å; Y772-V980 HydrophobicContact CE1-CG2 4.2Å
773K72.7Confident62.3Low42 Ų4264.8 Ų64.818%0.18337%0.369CS..EExtended strand (participates in β ladder)trans-128.3142-179.2-75.5-171.3172.3177.60113Y979 V980 Y981 Y982K773-Y979 HydrophobicContact CD-CD1 3.8Å; K773-Y979 HydrophobicContact CD-CE1 4.38Å; K773-Y979 HydrophobicContact CG-CD1 4.29Å; K773-V980 PolarHBondContact N-O 3.24Å; K773-Y981 HydrophobicContact CB-CD1 4.16Å; K773-Y981 HydrophobicContact CB-CE1 4.09Å; K773-Y981 HydrophobicContact CD-CE1 4.42Å; K773-Y981 VanDerWaalsContact O-CA 3.27Å; K773-Y981 WeakPolarHBondContact O-CA 3.46Å; K773-Y982 WeakPolarHBondContact O-CD1 3.31Å; K773-Y982 VanDerWaalsContact O-CE1 3.29Å; K773-Y982 WeakPolarHBondContact O-CE1 3.27Å; K773-Y982 PolarHBondContact O-N 3.2Å
774I68.8Low63.5Low111 Ų11162.2 Ų62.257%0.56935%0.347SS*.EExtended strand (participates in β ladder)trans-78.2128.7165.3-60171.8000107.6Y982I774-Y982 HydrophobicContact CB-CE2 4.34Å; I774-Y982 HydrophobicContact CD1-CE2 4.04Å; I774-Y982 HydrophobicContact CG1-CD2 4.08Å; I774-Y982 HydrophobicContact CG1-CE1 4.22Å; I774-Y982 HydrophobicContact CG1-CE2 3.24Å; I774-Y982 VanDerWaalsContact CG1-OH 3.23Å; I774-Y982 WeakPolarHBondContact CG1-OH 3.22Å
775G69.1Low64.1Low25 Ų2560.5 Ų60.526%0.25835%0.35SS..SBendtrans152.5-171.9172.900000113.3Y982G775-Y982 PolarHBondContact N-O 3.04Å
776D71Confident64.9Low69 Ų6962.8 Ų62.837%0.36934%0.342SS..  trans-91.5119.2174.8-165.7-27.2000109.6S778 E779D776-S778 PolarHBondContact O-N 2.79Å; D776-S778 VanDerWaalsContact O-N 3.17Å; D776-S778 VanDerWaalsContact OD1-CB 3.27Å; D776-S778 WeakPolarHBondContact OD1-CB 3.48Å; D776-S778 PolarHBondContact OD1-N 2.82Å; D776-S778 PolarHBondContact OD1-OG 2.86Å; D776-S778 PolarHBondContact OD2-OG 2.78Å; D776-E779 CarbonylContact O-C 3.44Å; D776-E779 PolarHBondContact O-N 3.45Å
777A76Confident64.9Low5 Ų561 Ų614%0.04133%0.327CS..THydrogen-bonded Turntrans-59.2-25.5175.700000112.5E779 V801 I816 P948 Y981A777-E779 VanDerWaalsContact C-N 3.28Å; A777-E779 PolarHBondContact O-N 3.06Å; A777-V801 WeakPolarHBondContact O-CG1 3.46Å; A777-I816 HydrophobicContact CB-CD1 4.06Å; A777-P948 HydrophobicContact CB-CB 4.3Å; A777-Y981 HydrophobicContact CB-CD2 3.9Å; A777-Y981 HydrophobicContact CB-CG 3.94Å
778S72.9Confident64.2Low2 Ų259.8 Ų59.81%0.01432%0.315CS..THydrogen-bonded Turntrans-75.5-14.8178.773.10000113.5D776 A819 R823D776-S778 PolarHBondContact O-N 2.79Å; D776-S778 VanDerWaalsContact O-N 3.17Å; D776-S778 VanDerWaalsContact OD1-CB 3.27Å; D776-S778 WeakPolarHBondContact OD1-CB 3.48Å; D776-S778 PolarHBondContact OD1-N 2.82Å; D776-S778 PolarHBondContact OD1-OG 2.86Å; D776-S778 PolarHBondContact OD2-OG 2.78Å; S778-A819 VanDerWaalsContact OG-CB 3.23Å; S778-A819 WeakPolarHBondContact OG-CB 3.35Å; S778-R823 WeakPolarHBondContact O-CD 3.46Å; S778-R823 PolarHBondContact O-NH1 2.84Å
779E70.9Confident63.3Low138 Ų13862.3 Ų62.365%0.64534%0.335SS*.SBendtrans-131.274175.9-69.6-174178.600109.4D776 A777 L781D776-E779 CarbonylContact O-C 3.44Å; D776-E779 PolarHBondContact O-N 3.45Å; A777-E779 VanDerWaalsContact C-N 3.28Å; A777-E779 PolarHBondContact O-N 3.06Å; E779-L781 PolarHBondContact O-N 3.44Å; E779-L781 VanDerWaalsContact O-N 3.1Å
780P67.4Low61.7Low12 Ų1267.4 Ų67.48%0.07836%0.356CS..  trans-62.4121.9-177.925.5-31.6000109.5S782 Y799 V801 H946 Y981P780-S782 PolarHBondContact O-N 2.82Å; P780-Y799 HydrophobicContact CG-CD2 3.64Å; P780-Y799 HydrophobicContact CG-CE1 4.22Å; P780-Y799 HydrophobicContact CG-CE2 3.27Å; P780-Y799 HydrophobicContact CG-CG 4.26Å; P780-V801 HydrophobicContact CG-CG2 4.3Å; P780-H946 HydrophobicContact CB-CB 4.35Å; P780-H946 WeakPolarHBondContact CB-ND1 3.25Å; P780-Y981 WeakPolarHBondContact CA-OH 3.42Å; P780-Y981 WeakPolarHBondContact CB-OH 3.38Å
781L58.4Low59.8Low124 Ų12474.6 Ų74.665%0.64939%0.394SS*.  trans-59.2107169.9-71.5168.5000107.2E779 I783E779-L781 PolarHBondContact O-N 3.44Å; E779-L781 VanDerWaalsContact O-N 3.1Å; L781-I783 PolarHBondContact O-N 2.91Å
782S52.4Low58Low34 Ų3478.4 Ų78.424%0.23841%0.413CS..  trans-56.6102.6172.2149.80000107.2P780 F784 S785P780-S782 PolarHBondContact O-N 2.82Å; S782-F784 PolarHBondContact O-N 2.75Å; S782-F784 VanDerWaalsContact O-N 3.15Å; S782-S785 WeakPolarHBondContact CB-OG 3.5Å; S782-S785 VanDerWaalsContact O-CB 3.32Å; S782-S785 WeakPolarHBondContact O-CB 3.45Å; S782-S785 PolarHBondContact O-N 3.4Å; S782-S785 WeakPolarHBondContact OG-CB 3.34Å; S782-S785 PolarHBondContact OG-N 3.3Å; S782-S785 PolarHBondContact OG-OG 3.22Å
783I51.6Low56.2Low63 Ų6377.2 Ų77.232%0.32341%0.41SS..Hα-helixtrans-53.4-31.7170.9-108.9165.4000109.2L781 S785 L786 M787 Y979L781-I783 PolarHBondContact O-N 2.91Å; I783-S785 VanDerWaalsContact C-N 3.31Å; I783-S785 PolarHBondContact O-N 3.37Å; I783-L786 PolarHBondContact O-N 3.05Å; I783-M787 PolarHBondContact O-N 2.73Å; I783-Y979 HydrophobicContact CD1-CE1 3.97Å
784F51.9Low54.6Low54 Ų5483 Ų8324%0.23744%0.442CS..Hα-helixtrans-67.7-23.1174.5-63.6-81.5000113.2S782 M787 K788 I793 T796 P797S782-F784 PolarHBondContact O-N 2.75Å; S782-F784 VanDerWaalsContact O-N 3.15Å; F784-M787 CarbonylContact O-C 3.54Å; F784-M787 PolarHBondContact O-N 2.85Å; F784-K788 WeakPolarHBondContact O-CA 3.42Å; F784-K788 WeakPolarHBondContact O-CB 3.26Å; F784-K788 PolarHBondContact O-N 2.8Å; F784-I793 HydrophobicContact CD1-CD1 3.69Å; F784-I793 HydrophobicContact CE1-CD1 4.04Å; F784-T796 HydrophobicContact CB-CG2 3.96Å; F784-P797 HydrophobicContact CD1-CG 4.49Å; F784-P797 HydrophobicContact CD2-CG 3.81Å; F784-P797 HydrophobicContact CE1-CG 4.05Å; F784-P797 HydrophobicContact CE2-CG 3.26Å; F784-P797 HydrophobicContact CG-CG 4.41Å; F784-P797 HydrophobicContact CZ-CG 3.42Å; F784-P797 VanDerWaalsContact CZ-CG 3.42Å
785S45.5Very low53.7Low70 Ų7079 Ų7949%0.4943%0.429SS..Hα-helixtrans-71.4-32.8175.5-66.40000111.7S782 I783 A789S782-S785 WeakPolarHBondContact CB-OG 3.5Å; S782-S785 VanDerWaalsContact O-CB 3.32Å; S782-S785 WeakPolarHBondContact O-CB 3.45Å; S782-S785 PolarHBondContact O-N 3.4Å; S782-S785 WeakPolarHBondContact OG-CB 3.34Å; S782-S785 PolarHBondContact OG-N 3.3Å; S782-S785 PolarHBondContact OG-OG 3.22Å; I783-S785 VanDerWaalsContact C-N 3.31Å; I783-S785 PolarHBondContact O-N 3.37Å; S785-A789 WeakPolarHBondContact O-CB 3.36Å; S785-A789 PolarHBondContact O-N 2.97Å
786L44.7Very low53.1Low129 Ų12981.1 Ų81.168%0.67544%0.437SS*.Hα-helixtrans-69.4-36170.3-96.6149.4000111.7I783 Q790I783-L786 PolarHBondContact O-N 3.05Å; L786-Q790 WeakPolarHBondContact O-CG 3.4Å; L786-Q790 PolarHBondContact O-N 3.43Å
787M42.1Very low52.8Low70 Ų7079.6 Ų79.635%0.34543%0.431SS..Hα-helixtrans-78.7-27.2175.1-68.6-172.2176.500113.5Y764 I783 F784 Q790 N791 K792 I793Y764-M787 HydrophobicContact CE1-SD 4.48Å; I783-M787 PolarHBondContact O-N 2.73Å; F784-M787 CarbonylContact O-C 3.54Å; F784-M787 PolarHBondContact O-N 2.85Å; M787-Q790 CarbonylContact O-C 3.38Å; M787-Q790 WeakPolarHBondContact O-CA 3.48Å; M787-Q790 WeakPolarHBondContact O-CB 3.28Å; M787-Q790 PolarHBondContact O-N 2.92Å; M787-N791 PolarHBondContact O-N 3.25Å; M787-K792 PolarHBondContact O-N 3.31Å; M787-I793 HydrophobicContact CB-CD1 3.75Å; M787-I793 HydrophobicContact CB-CG1 4.25Å; M787-I793 HydrophobicContact CG-CD1 4.36Å; M787-I793 HydrophobicContact SD-CD1 3.66Å
788K44.4Very low52.6Low123 Ų12379.7 Ų79.754%0.53543%0.431SS..Hα-helixtrans-69.5-37.3172.6-160.4176.2-171.1-177.90110.4F784 Q790 N791F784-K788 WeakPolarHBondContact O-CA 3.42Å; F784-K788 WeakPolarHBondContact O-CB 3.26Å; F784-K788 PolarHBondContact O-N 2.8Å; K788-Q790 PolarHBondContact O-N 2.87Å; K788-N791 PolarHBondContact O-N 3.45Å; K788-N791 VanDerWaalsContact O-N 3.11Å
789A47.3Very low52.9Low87 Ų8781.4 Ų81.472%0.71944%0.438SS*.THydrogen-bonded Turntrans-64.2-15.8167.500000113.4S785S785-A789 WeakPolarHBondContact O-CB 3.36Å; S785-A789 PolarHBondContact O-N 2.97Å
790Q44.6Very low53.7Low120 Ų12074.9 Ų74.956%0.56141%0.407SS*.THydrogen-bonded Turntrans-101.211174.2-66.3-179.7-400113.5L786 M787 K788 K792L786-Q790 WeakPolarHBondContact O-CG 3.4Å; L786-Q790 PolarHBondContact O-N 3.43Å; M787-Q790 CarbonylContact O-C 3.38Å; M787-Q790 WeakPolarHBondContact O-CA 3.48Å; M787-Q790 WeakPolarHBondContact O-CB 3.28Å; M787-Q790 PolarHBondContact O-N 2.92Å; K788-Q790 PolarHBondContact O-N 2.87Å; Q790-K792 PolarHBondContact O-N 3.06Å; Q790-K792 VanDerWaalsContact O-N 3.17Å
791N40.9Very low54.6Low159 Ų15974.3 Ų74.385%0.8540%0.403SS*.THydrogen-bonded Turntrans52.431.2179.7-74.6-13000115.1M787 K788M787-N791 PolarHBondContact O-N 3.25Å; K788-N791 PolarHBondContact O-N 3.45Å; K788-N791 VanDerWaalsContact O-N 3.11Å
792K44.1Very low56Low155 Ų15568.4 Ų68.467%0.67437%0.372SS*.  trans-97.3-12.8-175.3-81.1-178.8177.3-178.90115.5M787 Q790M787-K792 PolarHBondContact O-N 3.31Å; Q790-K792 PolarHBondContact O-N 3.06Å; Q790-K792 VanDerWaalsContact O-N 3.17Å
793I43.3Very low57.7Low29 Ų2967 Ų6715%0.14936%0.362CS..  trans-150.6128.7-167.8-34.9-178.6000112.3Y764 F784 M787Y764-I793 HydrophobicContact CD1-CD1 4.37Å; Y764-I793 HydrophobicContact CE1-CD1 3.28Å; Y764-I793 HydrophobicContact CE1-CG1 3.91Å; Y764-I793 VanDerWaalsContact OH-CD1 3.31Å; Y764-I793 WeakPolarHBondContact OH-CD1 3.43Å; Y764-I793 WeakPolarHBondContact OH-CG1 3.23Å; Y764-I793 VanDerWaalsContact OH-CG2 3.27Å; Y764-I793 WeakPolarHBondContact OH-CG2 3.4Å; F784-I793 HydrophobicContact CD1-CD1 3.69Å; F784-I793 HydrophobicContact CE1-CD1 4.04Å; M787-I793 HydrophobicContact CB-CD1 3.75Å; M787-I793 HydrophobicContact CB-CG1 4.25Å; M787-I793 HydrophobicContact CG-CD1 4.36Å; M787-I793 HydrophobicContact SD-CD1 3.66Å
794D40.1Very low59.4Low163 Ų16364.6 Ų64.687%0.87235%0.35SS*.SBendtrans-92.795.5167.2-77.2-27000110.5
795G49.7Very low61.1Low27 Ų2762.2 Ų62.228%0.27834%0.34SS..  trans119.3150.4171.200000115
796T56.6Low63.1Low70 Ų7060 Ų6043%0.42932%0.323SS..  trans-105.3125.5174.652.20000109.3F784F784-T796 HydrophobicContact CB-CG2 3.96Å
797P64.1Low65.1Low38 Ų3856.4 Ų56.425%0.24731%0.305CS..  trans-64.2150.3175.226.5-32.8000110.9F784F784-P797 HydrophobicContact CD1-CG 4.49Å; F784-P797 HydrophobicContact CD2-CG 3.81Å; F784-P797 HydrophobicContact CE1-CG 4.05Å; F784-P797 HydrophobicContact CE2-CG 3.26Å; F784-P797 HydrophobicContact CG-CG 4.41Å; F784-P797 HydrophobicContact CZ-CG 3.42Å; F784-P797 VanDerWaalsContact CZ-CG 3.42Å
798P71.5Confident67Low7 Ų754.3 Ų54.35%0.04530%0.297CS..  trans-63.2147.8179.827.2-34.4000110.9W895 S942 C943 S944P798-W895 HydrophobicContact CB-CB 4.27Å; P798-W895 HydrophobicContact CG-CB 3.91Å; P798-W895 HydrophobicContact CG-CD2 4.24Å; P798-W895 HydrophobicContact CG-CE3 4.14Å; P798-W895 HydrophobicContact CG-CG 4.19Å; P798-S942 WeakPolarHBondContact CD-O 3.33Å; P798-S942 WeakPolarHBondContact CG-O 3.34Å; P798-C943 HydrophobicContact CG-CB 4.47Å; P798-C943 VanDerWaalsContact O-CA 3.23Å; P798-C943 WeakPolarHBondContact O-CA 3.32Å; P798-C943 WeakPolarHBondContact O-CB 3.39Å; P798-S944 PolarHBondContact O-N 3.39Å
799Y80.2Confident68.8Low38 Ų3849 Ų4915%0.14928%0.276CS..EExtended strand (participates in β ladder)trans-130.2155.1175.161.5-100.4000112.5P780 V801 R823 N898 F899 S944P780-Y799 HydrophobicContact CG-CD2 3.64Å; P780-Y799 HydrophobicContact CG-CE1 4.22Å; P780-Y799 HydrophobicContact CG-CE2 3.27Å; P780-Y799 HydrophobicContact CG-CG 4.26Å; Y799-V801 HydrophobicContact CD2-CG2 4.09Å; Y799-V801 HydrophobicContact CE2-CG2 4Å; Y799-R823 PolarHBondContact OH-NH2 3.45Å; Y799-N898 VanDerWaalsContact CD1-OD1 3.23Å; Y799-N898 WeakPolarHBondContact CD1-OD1 3.4Å; Y799-N898 HydrophobicContact CD2-CB 4.3Å; Y799-N898 HydrophobicContact CE1-CB 4.37Å; Y799-N898 VanDerWaalsContact CE1-CG 3.43Å; Y799-N898 WeakPolarHBondContact CE1-OD1 3.48Å; Y799-N898 HydrophobicContact CE2-CB 3.87Å; Y799-N898 PolarHBondContact OH-ND2 3.11Å; Y799-F899 PolarHBondContact O-N 2.86Å; Y799-S944 CarbonylContact C-O 3.57Å; Y799-S944 VanDerWaalsContact CA-O 3.29Å; Y799-S944 WeakPolarHBondContact CA-O 3.48Å; Y799-S944 WeakPolarHBondContact CB-O 3.46Å; Y799-S944 WeakPolarHBondContact CB-OG 3.36Å
800F86.8Confident70.5Confident0 Ų051.6 Ų51.60%027%0.273CS..EExtended strand (participates in β ladder)trans-107.3126.2175.9-76.2-95.9000110.3I848 F870 F899 L933 L940 C943 S944 I945 H946F800-I848 HydrophobicContact CE1-CD1 3.98Å; F800-I848 HydrophobicContact CE1-CG1 4.42Å; F800-I848 HydrophobicContact CE1-CG2 3.76Å; F800-F870 HydrophobicContact CZ-CE2 4.14Å; F800-F899 CarbonylContact C-O 3.55Å; F800-F899 VanDerWaalsContact CA-O 3.31Å; F800-F899 WeakPolarHBondContact CA-O 3.45Å; F800-F899 HydrophobicContact CD1-CB 3.49Å; F800-F899 VanDerWaalsContact CD1-CB 3.49Å; F800-F899 HydrophobicContact CD1-CG 4.44Å; F800-F899 HydrophobicContact CE1-CB 3.38Å; F800-F899 HydrophobicContact CE1-CD2 4.25Å; F800-F899 AromaticContact CE1-CG 3.9Å; F800-F899 HydrophobicContact CE1-CG 3.9Å; F800-F899 HydrophobicContact CE2-CD2 4.27Å; F800-F899 HydrophobicContact CG-CB 4.14Å; F800-F899 HydrophobicContact CZ-CB 3.96Å; F800-F899 AromaticContact CZ-CD2 3.94Å; F800-F899 HydrophobicContact CZ-CD2 3.94Å; F800-F899 HydrophobicContact CZ-CG 4.05Å; F800-L933 HydrophobicContact CD1-CD1 4.22Å; F800-L940 HydrophobicContact CE2-CD1 3.5Å; F800-L940 HydrophobicContact CE2-CG 4.37Å; F800-L940 HydrophobicContact CZ-CD1 3.67Å; F800-L940 HydrophobicContact CZ-CG 4.48Å; F800-C943 HydrophobicContact CD2-CB 4.15Å; F800-C943 HydrophobicContact CE2-CB 4.13Å; F800-S944 PolarHBondContact N-O 2.83Å; F800-I945 HydrophobicContact CB-CG1 4.26Å; F800-I945 CarbonylContact O-C 3.58Å; F800-H946 PolarHBondContact O-N 3.49Å
801V86.4Confident72.5Confident0 Ų046.8 Ų46.80%025%0.25CC..EExtended strand (participates in β ladder)trans-97.2115.2165.2-179.50000108.3A777 P780 Y799 L820 F899 C900 G901 H946A777-V801 WeakPolarHBondContact O-CG1 3.46Å; P780-V801 HydrophobicContact CG-CG2 4.3Å; Y799-V801 HydrophobicContact CD2-CG2 4.09Å; Y799-V801 HydrophobicContact CE2-CG2 4Å; V801-L820 HydrophobicContact CG1-CD2 4.01Å; V801-F899 PolarHBondContact N-O 3.44Å; V801-C900 CarbonylContact O-C 3.56Å; V801-C900 WeakPolarHBondContact O-CA 3.37Å; V801-C900 PolarHBondContact O-SG 3.38Å; V801-G901 PolarHBondContact O-N 3.48Å; V801-H946 CarbonylContact C-O 3.57Å; V801-H946 WeakPolarHBondContact CA-O 3.45Å
802C88.8Confident74.2Confident0 Ų042.1 Ų42.10%023%0.23CC..EExtended strand (participates in β ladder)trans-114.4144.6-173.9-64.20000112.9G901 L933 H946 I947 P948C802-G901 WeakPolarHBondContact CA-O 3.4Å; C802-L933 HydrophobicContact CB-CD2 4.49Å; C802-H946 PolarHBondContact N-O 3.35Å; C802-I947 HydrophobicContact CB-CG2 3.48Å; C802-I947 VanDerWaalsContact CB-CG2 3.48Å; C802-P948 WeakPolarHBondContact O-CD 3.44Å
803T87.5Confident75.6Confident5 Ų543 Ų433%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-149.4158174.7-171.40000110.8L820 G901 L902 L903T803-L820 HydrophobicContact CG2-CD1 4.1Å; T803-G901 PolarHBondContact N-O 2.91Å; T803-G901 VanDerWaalsContact N-O 3.09Å; T803-L902 HydrophobicContact CG2-CD2 3.73Å; T803-L903 PolarHBondContact O-N 2.99Å
804T87.4Confident76.8Confident12 Ų1243.6 Ų43.67%0.07425%0.25CC..EExtended strand (participates in β ladder)trans-86.7142.5174.552.90000111.7L903 A905 L921 L926 L950T804-L903 WeakPolarHBondContact CA-O 3.17Å; T804-L903 HydrophobicContact CG2-CB 4.3Å; T804-A905 HydrophobicContact CG2-CB 4.48Å; T804-L921 HydrophobicContact CG2-CD1 3.9Å; T804-L926 HydrophobicContact CG2-CD1 4.03Å; T804-L950 HydrophobicContact CG2-CD1 3.91Å; T804-L950 HydrophobicContact CG2-CD2 3.77Å; T804-L950 HydrophobicContact CG2-CG 4.33Å
805I87.6Confident78.5Confident4 Ų439 Ų392%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-132.1163.517949.4161.4000111.1F817 Y832 L847 L902 L903 V904 A905 Q906I805-F817 HydrophobicContact CG2-CE1 4.04Å; I805-Y832 HydrophobicContact CB-CE2 4.12Å; I805-Y832 HydrophobicContact CD1-CD2 3.64Å; I805-Y832 HydrophobicContact CD1-CE2 3.41Å; I805-Y832 VanDerWaalsContact CD1-CE2 3.41Å; I805-Y832 HydrophobicContact CG1-CE2 4.31Å; I805-L847 HydrophobicContact CD1-CD1 4.35Å; I805-L902 HydrophobicContact CD1-CB 3.49Å; I805-L902 VanDerWaalsContact CD1-CB 3.49Å; I805-L902 HydrophobicContact CD1-CD1 4.32Å; I805-L902 HydrophobicContact CD1-CG 4.48Å; I805-L902 HydrophobicContact CG1-CB 3.96Å; I805-L902 HydrophobicContact CG2-CB 4.38Å; I805-L902 HydrophobicContact CG2-CD2 4.22Å; I805-L903 WeakPolarHBondContact CG1-O 3.27Å; I805-L903 PolarHBondContact N-O 3.29Å; I805-V904 HydrophobicContact CD1-CG2 3.69Å; I805-V904 HydrophobicContact CG1-CG2 4.08Å; I805-A905 PolarHBondContact O-N 3Å; I805-Q906 PolarHBondContact O-N 3.35Å
806D86.6Confident79.7Confident25 Ų2539 Ų3913%0.13423%0.234CC..EExtended strand (participates in β ladder)trans-94.8171.9172.580.1-4.7000112.8S808 Y832 Q906 H908D806-S808 VanDerWaalsContact C-N 3.27Å; D806-S808 VanDerWaalsContact CG-OG 3.25Å; D806-S808 PolarHBondContact O-N 3.45Å; D806-S808 VanDerWaalsContact OD1-CB 3.26Å; D806-S808 WeakPolarHBondContact OD1-CB 3.36Å; D806-S808 PolarHBondContact OD1-N 3.13Å; D806-S808 PolarHBondContact OD1-OG 3.4Å; D806-S808 WeakPolarHBondContact OD2-CB 3.28Å; D806-S808 PolarHBondContact OD2-OG 3Å; D806-Y832 PolarHBondContact O-OH 3.44Å; D806-Y832 PolarHBondContact OD1-OH 3.08Å; D806-Q906 VanDerWaalsContact CA-O 3.28Å; D806-Q906 WeakPolarHBondContact CA-O 3.08Å; D806-Q906 HydrophobicContact CB-CB 3.91Å; D806-H908 IonicContact OD2-CG 3.58Å; D806-H908 IonicContact OD2-ND1 3.28Å; D806-H908 PolarHBondContact OD2-ND1 3.47Å; D806-H908 VanDerWaalsContact OD2-ND1 3.12Å
807D85.9Confident81Confident53 Ų5337.7 Ų37.728%0.28322%0.222SC..SBendtrans-86.618178.561.2-14.2000113.4V904 Q906 H908D807-V904 HydrophobicContact CB-CG1 4.43Å; D807-Q906 PolarHBondContact N-O 3.37Å; D807-H908 WeakPolarHBondContact OD1-CA 3.29Å; D807-H908 WeakPolarHBondContact OD1-CB 3.48Å; D807-H908 PolarHBondContact OD1-N 3.47Å
808S83.9Confident81.7Confident26 Ų2636.6 Ų36.618%0.18222%0.218CC..SBendtrans-88.5-23.2-172.376.90000115.4D806 H810 H908D806-S808 VanDerWaalsContact C-N 3.27Å; D806-S808 VanDerWaalsContact CG-OG 3.25Å; D806-S808 PolarHBondContact O-N 3.45Å; D806-S808 VanDerWaalsContact OD1-CB 3.26Å; D806-S808 WeakPolarHBondContact OD1-CB 3.36Å; D806-S808 PolarHBondContact OD1-N 3.13Å; D806-S808 PolarHBondContact OD1-OG 3.4Å; D806-S808 WeakPolarHBondContact OD2-CB 3.28Å; D806-S808 PolarHBondContact OD2-OG 3Å; S808-H810 VanDerWaalsContact C-N 3.26Å; S808-H810 PolarHBondContact O-N 3.1Å; S808-H810 PolarHBondContact O-ND1 2.62Å; S808-H810 PolarHBondContact OG-N 3.42Å; S808-H810 VanDerWaalsContact OG-N 3.1Å; S808-H908 WeakPolarHBondContact CB-ND1 3.44Å
809G81.3Confident82Confident10 Ų1036.6 Ų36.610%0.10322%0.219CC..  trans71.213.8-171.500000114.8Y832G809-Y832 PolarHBondContact N-OH 3.34Å
810H83.8Confident82.1Confident142 Ų14234.8 Ų34.866%0.65721%0.212SC*.  trans-109117178.6-7073.6000111.4S808 S812S808-H810 VanDerWaalsContact C-N 3.26Å; S808-H810 PolarHBondContact O-N 3.1Å; S808-H810 PolarHBondContact O-ND1 2.62Å; S808-H810 PolarHBondContact OG-N 3.42Å; S808-H810 VanDerWaalsContact OG-N 3.1Å; H810-S812 PolarHBondContact O-N 3.17Å
811W84.8Confident81.9Confident19 Ų1935.4 Ų35.47%0.07222%0.216CC..  trans-72.1129.9-178.7-167.2-103.3000112.3F817 L820 S821 I828 K829 Y832 L902W811-F817 HydrophobicContact CD2-CD1 4.24Å; W811-F817 AromaticContact CE2-CD1 3.9Å; W811-F817 HydrophobicContact CE3-CD1 4.36Å; W811-F817 AromaticContact CH2-CD1 3.92Å; W811-F817 HydrophobicContact CH2-CD1 3.92Å; W811-F817 HydrophobicContact CZ2-CB 4.06Å; W811-F817 AromaticContact CZ2-CD1 3.76Å; W811-F817 HydrophobicContact CZ2-CD1 3.76Å; W811-F817 HydrophobicContact CZ2-CG 4.42Å; W811-F817 HydrophobicContact CZ3-CD1 4.21Å; W811-F817 PolarHBondContact NE1-O 2.8Å; W811-L820 HydrophobicContact CZ2-CB 4.26Å; W811-S821 PolarHBondContact NE1-OG 3.23Å; W811-I828 HydrophobicContact CH2-CG2 3.69Å; W811-I828 HydrophobicContact CZ2-CG2 4.46Å; W811-I828 HydrophobicContact CZ3-CG2 4.16Å; W811-K829 HydrophobicContact CB-CD 4.36Å; W811-K829 HydrophobicContact CB-CG 3.81Å; W811-K829 HydrophobicContact CD2-CB 4.16Å; W811-K829 HydrophobicContact CD2-CG 4.21Å; W811-K829 HydrophobicContact CG-CB 4.16Å; W811-K829 HydrophobicContact CG-CD 4.26Å; W811-K829 HydrophobicContact CG-CG 3.72Å; W811-Y832 AromaticContact CE3-CD1 3.62Å; W811-Y832 HydrophobicContact CE3-CD1 3.62Å; W811-Y832 HydrophobicContact CE3-CE1 4.36Å; W811-Y832 AromaticContact CE3-CG 3.99Å; W811-Y832 HydrophobicContact CE3-CG 3.99Å; W811-Y832 HydrophobicContact CZ3-CD1 4.31Å; W811-Y832 HydrophobicContact CZ3-CG 4.24Å; W811-L902 HydrophobicContact CH2-CD2 4.37Å; W811-L902 HydrophobicContact CZ3-CD1 4.38Å; W811-L902 HydrophobicContact CZ3-CD2 4.43Å
812S76.7Confident81.5Confident61 Ų6144 Ų4443%0.42725%0.249SC..  trans-72.8159.2179.5-1700000112.6H810 F817H810-S812 PolarHBondContact O-N 3.17Å; S812-F817 WeakPolarHBondContact O-CB 3.31Å
813H73.6Confident80.9Confident173 Ų17347 Ų4780%0.80126%0.26SS*.  trans-105.1136.4178.9-64.4-46000111.5
814G69.5Low80.3Confident43 Ų4347.2 Ų47.244%0.44326%0.262SS..SBendtrans86177.2175.900000114.5F817 G818G814-F817 PolarHBondContact O-N 3.13Å; G814-G818 PolarHBondContact O-N 3.34Å; G814-G818 VanDerWaalsContact O-N 3.13Å
815G74.7Confident80Confident66 Ų6653.3 Ų53.368%0.6829%0.294SS*.Hα-helixtrans55.5-142.4-178.400000113.9F817 G818 A819G815-F817 VanDerWaalsContact C-N 3.26Å; G815-F817 PolarHBondContact O-N 3.23Å; G815-G818 PolarHBondContact O-N 3.17Å; G815-A819 PolarHBondContact O-N 3.48Å; G815-A819 VanDerWaalsContact O-N 3.14Å
816I76.5Confident79.7Confident28 Ų2856.8 Ų56.814%0.14431%0.313CS..Hα-helixtrans-61.1-32.4178.7-164.6168.7000112.6A777 A819 L820 P948A777-I816 HydrophobicContact CB-CD1 4.06Å; I816-A819 PolarHBondContact O-N 3.43Å; I816-L820 HydrophobicContact CG1-CD1 4.07Å; I816-L820 HydrophobicContact CG1-CG 4.19Å; I816-L820 WeakPolarHBondContact O-CB 3.44Å; I816-L820 WeakPolarHBondContact O-CG 3.31Å; I816-L820 PolarHBondContact O-N 3.14Å; I816-P948 HydrophobicContact CD1-CB 4.21Å; I816-P948 HydrophobicContact CD1-CG 3.67Å
817F82.6Confident79.5Confident41 Ų4159 Ų5918%0.1832%0.322CS..Hα-helixtrans-63.9-44177.3-62.3-78.3000111.5I805 W811 S812 G814 G815 A819 S821I805-F817 HydrophobicContact CG2-CE1 4.04Å; W811-F817 HydrophobicContact CD2-CD1 4.24Å; W811-F817 AromaticContact CE2-CD1 3.9Å; W811-F817 HydrophobicContact CE3-CD1 4.36Å; W811-F817 AromaticContact CH2-CD1 3.92Å; W811-F817 HydrophobicContact CH2-CD1 3.92Å; W811-F817 HydrophobicContact CZ2-CB 4.06Å; W811-F817 AromaticContact CZ2-CD1 3.76Å; W811-F817 HydrophobicContact CZ2-CD1 3.76Å; W811-F817 HydrophobicContact CZ2-CG 4.42Å; W811-F817 HydrophobicContact CZ3-CD1 4.21Å; W811-F817 PolarHBondContact NE1-O 2.8Å; S812-F817 WeakPolarHBondContact O-CB 3.31Å; G814-F817 PolarHBondContact O-N 3.13Å; G815-F817 VanDerWaalsContact C-N 3.26Å; G815-F817 PolarHBondContact O-N 3.23Å; F817-A819 VanDerWaalsContact C-N 3.34Å; F817-S821 PolarHBondContact O-N 2.7Å; F817-S821 VanDerWaalsContact O-N 3.08Å; F817-S821 PolarHBondContact O-OG 2.84Å
818G79Confident79.4Confident15 Ų1556.5 Ų56.516%0.15531%0.309CS..Hα-helixtrans-65.3-37.2174.500000112.8G814 G815 R822G814-G818 PolarHBondContact O-N 3.34Å; G814-G818 VanDerWaalsContact O-N 3.13Å; G815-G818 PolarHBondContact O-N 3.17Å; G818-R822 WeakPolarHBondContact O-CG 3.33Å; G818-R822 PolarHBondContact O-N 3.43Å
819A78.8Confident79.5Confident7 Ų758.1 Ų58.16%0.05831%0.312CS..Hα-helixtrans-69.9-44.8178.600000112.4S778 G815 I816 F817 S821 R822 R823S778-A819 VanDerWaalsContact OG-CB 3.23Å; S778-A819 WeakPolarHBondContact OG-CB 3.35Å; G815-A819 PolarHBondContact O-N 3.48Å; G815-A819 VanDerWaalsContact O-N 3.14Å; I816-A819 PolarHBondContact O-N 3.43Å; F817-A819 VanDerWaalsContact C-N 3.34Å; A819-S821 VanDerWaalsContact C-N 3.34Å; A819-S821 PolarHBondContact O-N 3.27Å; A819-R822 PolarHBondContact O-N 3.32Å; A819-R823 WeakPolarHBondContact O-CB 3.3Å; A819-R823 PolarHBondContact O-N 3.33Å
820L81.4Confident79.7Confident0 Ų061.7 Ų61.70%033%0.329CS..Hα-helixtrans-62.3-38.4175.1-72.7173.2000112.5V801 T803 W811 I816 R823 S824 I828V801-L820 HydrophobicContact CG1-CD2 4.01Å; T803-L820 HydrophobicContact CG2-CD1 4.1Å; W811-L820 HydrophobicContact CZ2-CB 4.26Å; I816-L820 HydrophobicContact CG1-CD1 4.07Å; I816-L820 HydrophobicContact CG1-CG 4.19Å; I816-L820 WeakPolarHBondContact O-CB 3.44Å; I816-L820 WeakPolarHBondContact O-CG 3.31Å; I816-L820 PolarHBondContact O-N 3.14Å; L820-R823 PolarHBondContact O-N 3.33Å; L820-S824 WeakPolarHBondContact O-CB 3.38Å; L820-S824 PolarHBondContact O-N 3.32Å; L820-S824 PolarHBondContact O-OG 2.9Å; L820-I828 HydrophobicContact CB-CD1 4.27Å; L820-I828 HydrophobicContact CD2-CD1 4.17Å
821S82.8Confident79.8Confident14 Ų1455.5 Ų55.510%0.09830%0.301CS..Hα-helixtrans-62.2-43.2174.2-63.60000112.4W811 F817 A819 N825 N826W811-S821 PolarHBondContact NE1-OG 3.23Å; F817-S821 PolarHBondContact O-N 2.7Å; F817-S821 VanDerWaalsContact O-N 3.08Å; F817-S821 PolarHBondContact O-OG 2.84Å; A819-S821 VanDerWaalsContact C-N 3.34Å; A819-S821 PolarHBondContact O-N 3.27Å; S821-N825 PolarHBondContact O-N 3.03Å; S821-N826 PolarHBondContact O-N 3.19Å
822R79Confident79.9Confident181 Ų18154.8 Ų54.868%0.68330%0.298SS*.Hα-helixtrans-64.6-45.2176.3-73.8-172.8-63.8-97.82.9111.6G818 A819 S824 N825G818-R822 WeakPolarHBondContact O-CG 3.33Å; G818-R822 PolarHBondContact O-N 3.43Å; A819-R822 PolarHBondContact O-N 3.32Å; R822-S824 VanDerWaalsContact C-N 3.34Å; R822-S824 PolarHBondContact O-N 2.91Å; R822-N825 PolarHBondContact O-N 3.16Å
823R75.7Confident80.4Confident62 Ų6254.6 Ų54.623%0.23429%0.291CS..Hα-helixtrans-65.9-34.5-176.2-176.3172.7170.9-169.3-8113.4S778 Y799 A819 L820S778-R823 WeakPolarHBondContact O-CD 3.46Å; S778-R823 PolarHBondContact O-NH1 2.84Å; Y799-R823 PolarHBondContact OH-NH2 3.45Å; A819-R823 WeakPolarHBondContact O-CB 3.3Å; A819-R823 PolarHBondContact O-N 3.33Å; L820-R823 PolarHBondContact O-N 3.33Å
824S75.5Confident81Confident10 Ų1049.6 Ų49.67%0.0727%0.27CS..THydrogen-bonded Turntrans-100.29.4-176.862.80000114.2L820 R822 N826 Q827 I828L820-S824 WeakPolarHBondContact O-CB 3.38Å; L820-S824 PolarHBondContact O-N 3.32Å; L820-S824 PolarHBondContact O-OG 2.9Å; R822-S824 VanDerWaalsContact C-N 3.34Å; R822-S824 PolarHBondContact O-N 2.91Å; S824-N826 PolarHBondContact O-N 2.65Å; S824-Q827 WeakPolarHBondContact O-CB 3.49Å; S824-Q827 PolarHBondContact O-N 3Å; S824-I828 WeakPolarHBondContact OG-CG1 3.49Å; S824-I828 PolarHBondContact OG-N 3.2Å
825N79.3Confident81.8Confident140 Ų14047.5 Ų47.575%0.74925%0.249SC*.THydrogen-bonded Turntrans4746.8-170.6-74.4-24.4000112.4S821 R822 Q827S821-N825 PolarHBondContact O-N 3.03Å; R822-N825 PolarHBondContact O-N 3.16Å; N825-Q827 PolarHBondContact O-N 2.84Å
826N81.9Confident82.2Confident77 Ų7745.7 Ų45.741%0.41223%0.23SC..THydrogen-bonded Turntrans660-175.6-59.2-42.8000117.5S821 S824 I828 K829 D830S821-N826 PolarHBondContact O-N 3.19Å; S824-N826 PolarHBondContact O-N 2.65Å; N826-I828 VanDerWaalsContact C-N 3.31Å; N826-I828 PolarHBondContact O-N 2.85Å; N826-K829 WeakPolarHBondContact O-CB 3.41Å; N826-K829 PolarHBondContact O-N 2.89Å; N826-D830 VanDerWaalsContact O-CG 3.26Å; N826-D830 PolarHBondContact O-N 3.09Å
827Q83.7Confident82.6Confident71 Ų7151.6 Ų51.633%0.33226%0.257SS..Hα-helixtrans-54.9-43.4-179.4-175-175.4-5.200113.2S824 N825 K829 D830 V831S824-Q827 WeakPolarHBondContact O-CB 3.49Å; S824-Q827 PolarHBondContact O-N 3Å; N825-Q827 PolarHBondContact O-N 2.84Å; Q827-K829 VanDerWaalsContact C-N 3.33Å; Q827-K829 PolarHBondContact O-N 2.91Å; Q827-D830 PolarHBondContact O-N 2.84Å; Q827-V831 WeakPolarHBondContact O-CG2 3.34Å; Q827-V831 PolarHBondContact O-N 2.68Å; Q827-V831 VanDerWaalsContact O-N 3.11Å
828I83.9Confident82.7Confident1 Ų150.5 Ų50.51%0.00525%0.252CS..Hα-helixtrans-65.6-39.5179.8-63.3167000111.2W811 L820 S824 N826 Y832 V849 I851 C900 L902W811-I828 HydrophobicContact CH2-CG2 3.69Å; W811-I828 HydrophobicContact CZ2-CG2 4.46Å; W811-I828 HydrophobicContact CZ3-CG2 4.16Å; L820-I828 HydrophobicContact CB-CD1 4.27Å; L820-I828 HydrophobicContact CD2-CD1 4.17Å; S824-I828 WeakPolarHBondContact OG-CG1 3.49Å; S824-I828 PolarHBondContact OG-N 3.2Å; N826-I828 VanDerWaalsContact C-N 3.31Å; N826-I828 PolarHBondContact O-N 2.85Å; I828-Y832 PolarHBondContact O-N 3.4Å; I828-Y832 VanDerWaalsContact O-N 3.15Å; I828-V849 HydrophobicContact CG1-CB 4.48Å; I828-V849 HydrophobicContact CG1-CG1 4.15Å; I828-I851 HydrophobicContact CD1-CG1 4.41Å; I828-C900 HydrophobicContact CD1-CB 3.8Å; I828-C900 HydrophobicContact CG1-CB 4.36Å; I828-L902 HydrophobicContact CG2-CD1 4.15Å; I828-L902 HydrophobicContact CG2-CD2 4.37Å
829K85.5Confident82.8Confident59 Ų5953.8 Ų53.826%0.25727%0.267SS..Hα-helixtrans-63.2-48.3178.1172.9-172.4173.9-151.40110.2W811 N826 Q827 V831 Y832 E833W811-K829 HydrophobicContact CB-CD 4.36Å; W811-K829 HydrophobicContact CB-CG 3.81Å; W811-K829 HydrophobicContact CD2-CB 4.16Å; W811-K829 HydrophobicContact CD2-CG 4.21Å; W811-K829 HydrophobicContact CG-CB 4.16Å; W811-K829 HydrophobicContact CG-CD 4.26Å; W811-K829 HydrophobicContact CG-CG 3.72Å; N826-K829 WeakPolarHBondContact O-CB 3.41Å; N826-K829 PolarHBondContact O-N 2.89Å; Q827-K829 VanDerWaalsContact C-N 3.33Å; Q827-K829 PolarHBondContact O-N 2.91Å; K829-V831 VanDerWaalsContact C-N 3.31Å; K829-V831 PolarHBondContact O-N 2.88Å; K829-Y832 PolarHBondContact O-N 2.77Å; K829-E833 WeakPolarHBondContact CE-OE1 3.31Å; K829-E833 HydrophobicContact CG-CG 4.48Å; K829-E833 IonicContact NZ-OE1 2.72Å; K829-E833 PolarHBondContact O-N 3.37Å
830D85.8Confident83.1Confident86 Ų8653.5 Ų53.546%0.4626%0.264SS..Hα-helixtrans-63.8-38.6-176.8-61.4-19.4000111.1N826 Q827 L834N826-D830 VanDerWaalsContact O-CG 3.26Å; N826-D830 PolarHBondContact O-N 3.09Å; Q827-D830 PolarHBondContact O-N 2.84Å; D830-L834 WeakPolarHBondContact O-CB 3.21Å; D830-L834 PolarHBondContact O-N 2.72Å
831V85.2Confident83.3Confident11 Ų1154 Ų547%0.06727%0.267CS..Hα-helixtrans-63.9-43.4175171.80000111.9F715 Q827 K829 L834 A835 V849F715-V831 HydrophobicContact CB-CG1 4.25Å; F715-V831 HydrophobicContact CD1-CG1 4.29Å; F715-V831 HydrophobicContact CD2-CG1 3.48Å; F715-V831 VanDerWaalsContact CD2-CG1 3.48Å; F715-V831 HydrophobicContact CE2-CG1 3.77Å; F715-V831 HydrophobicContact CE2-CG2 4.06Å; F715-V831 HydrophobicContact CG-CG1 3.75Å; F715-V831 HydrophobicContact CZ-CG1 4.26Å; F715-V831 HydrophobicContact CZ-CG2 4.01Å; Q827-V831 WeakPolarHBondContact O-CG2 3.34Å; Q827-V831 PolarHBondContact O-N 2.68Å; Q827-V831 VanDerWaalsContact O-N 3.11Å; K829-V831 VanDerWaalsContact C-N 3.31Å; K829-V831 PolarHBondContact O-N 2.88Å; V831-L834 PolarHBondContact O-N 2.76Å; V831-A835 WeakPolarHBondContact O-CB 3.32Å; V831-A835 PolarHBondContact O-N 2.87Å; V831-V849 HydrophobicContact CB-CG2 4.26Å; V831-V849 HydrophobicContact CG1-CG2 3.78Å; V831-V849 HydrophobicContact CG2-CG1 4.24Å
832Y87Confident83.4Confident4 Ų456.6 Ų56.62%0.01628%0.279CS..Hα-helixtrans-67.4-43.7179.2175.3-106000112.6I805 D806 G809 W811 I828 K829 L834 A835 G836 L841 L902I805-Y832 HydrophobicContact CB-CE2 4.12Å; I805-Y832 HydrophobicContact CD1-CD2 3.64Å; I805-Y832 HydrophobicContact CD1-CE2 3.41Å; I805-Y832 VanDerWaalsContact CD1-CE2 3.41Å; I805-Y832 HydrophobicContact CG1-CE2 4.31Å; D806-Y832 PolarHBondContact O-OH 3.44Å; D806-Y832 PolarHBondContact OD1-OH 3.08Å; G809-Y832 PolarHBondContact N-OH 3.34Å; W811-Y832 AromaticContact CE3-CD1 3.62Å; W811-Y832 HydrophobicContact CE3-CD1 3.62Å; W811-Y832 HydrophobicContact CE3-CE1 4.36Å; W811-Y832 AromaticContact CE3-CG 3.99Å; W811-Y832 HydrophobicContact CE3-CG 3.99Å; W811-Y832 HydrophobicContact CZ3-CD1 4.31Å; W811-Y832 HydrophobicContact CZ3-CG 4.24Å; I828-Y832 PolarHBondContact O-N 3.4Å; I828-Y832 VanDerWaalsContact O-N 3.15Å; K829-Y832 PolarHBondContact O-N 2.77Å; Y832-L834 VanDerWaalsContact C-N 3.34Å; Y832-A835 PolarHBondContact O-N 3.48Å; Y832-G836 PolarHBondContact O-N 2.98Å; Y832-L841 HydrophobicContact CD2-CD1 4.18Å; Y832-L841 HydrophobicContact CD2-CD2 4.1Å; Y832-L841 HydrophobicContact CE2-CD1 3.56Å; Y832-L841 HydrophobicContact CE2-CD2 3.96Å; Y832-L841 HydrophobicContact CE2-CG 4.44Å; Y832-L902 HydrophobicContact CD2-CD1 4.42Å
833E88Confident83.6Confident58 Ų5850.6 Ų50.627%0.27126%0.261SS..Hα-helixtrans-65-39.1176.5-70-176.8173.400111.3K829 G836 Q837K829-E833 WeakPolarHBondContact CE-OE1 3.31Å; K829-E833 HydrophobicContact CG-CG 4.48Å; K829-E833 IonicContact NZ-OE1 2.72Å; K829-E833 PolarHBondContact O-N 3.37Å; E833-G836 PolarHBondContact O-N 3.36Å; E833-Q837 WeakPolarHBondContact O-CG 3.41Å; E833-Q837 PolarHBondContact O-N 3.3Å
834L86Confident84Confident67 Ų6748 Ų4835%0.35125%0.253SS..Hα-helixtrans-64.7-43174.5-173.466.2000111.7Y712 D830 V831 Y832 G836 Q837 M838Y712-L834 HydrophobicContact CD2-CD2 3.76Å; Y712-L834 HydrophobicContact CD2-CG 3.94Å; Y712-L834 HydrophobicContact CE2-CD2 3.79Å; Y712-L834 HydrophobicContact CE2-CG 3.79Å; D830-L834 WeakPolarHBondContact O-CB 3.21Å; D830-L834 PolarHBondContact O-N 2.72Å; V831-L834 PolarHBondContact O-N 2.76Å; Y832-L834 VanDerWaalsContact C-N 3.34Å; L834-G836 VanDerWaalsContact C-N 3.26Å; L834-G836 PolarHBondContact O-N 3.16Å; L834-Q837 PolarHBondContact O-N 3.07Å; L834-Q837 VanDerWaalsContact O-N 3.16Å; L834-M838 HydrophobicContact CD1-CG 4.34Å; L834-M838 HydrophobicContact CG-CG 4.43Å; L834-M838 WeakPolarHBondContact O-CB 2.91Å; L834-M838 VanDerWaalsContact O-CG 3.28Å; L834-M838 WeakPolarHBondContact O-CG 3.46Å; L834-M838 PolarHBondContact O-N 2.87Å
835A85.2Confident84.5Confident0 Ų048.4 Ų48.40%026%0.255CS..Hα-helixtrans-60.5-37.1175.100000111.9V831 Y832 M838 D839 D840 L841 L847V831-A835 WeakPolarHBondContact O-CB 3.32Å; V831-A835 PolarHBondContact O-N 2.87Å; Y832-A835 PolarHBondContact O-N 3.48Å; A835-M838 PolarHBondContact O-N 3.45Å; A835-D839 PolarHBondContact O-N 3.25Å; A835-D840 HydrophobicContact CB-CB 4.25Å; A835-D840 PolarHBondContact O-N 3.16Å; A835-L841 HydrophobicContact CB-CD2 3.8Å; A835-L841 HydrophobicContact CB-CG 4.06Å; A835-L847 HydrophobicContact CB-CD2 3.87Å
836G84.4Confident84.9Confident28 Ų2841.8 Ų41.829%0.28922%0.219SC..Hα-helixtrans-64.4-43.8172.300000113.4Y832 E833 L834 M838 D839Y832-G836 PolarHBondContact O-N 2.98Å; E833-G836 PolarHBondContact O-N 3.36Å; L834-G836 VanDerWaalsContact C-N 3.26Å; L834-G836 PolarHBondContact O-N 3.16Å; G836-M838 VanDerWaalsContact C-N 3.28Å; G836-M838 PolarHBondContact O-N 2.95Å; G836-D839 PolarHBondContact O-N 3.01Å
837Q85Confident85.2Confident152 Ų15238.1 Ų38.171%0.7120%0.199SC*.Hα-helixtrans-65-33.1176.7-70174.917.200112.7E833 L834 D839E833-Q837 WeakPolarHBondContact O-CG 3.41Å; E833-Q837 PolarHBondContact O-N 3.3Å; L834-Q837 PolarHBondContact O-N 3.07Å; L834-Q837 VanDerWaalsContact O-N 3.16Å; Q837-D839 VanDerWaalsContact C-N 3.31Å
838M83.3Confident85.4Confident17 Ų1734.7 Ų34.78%0.08418%0.184CC..THydrogen-bonded Turntrans-90.18-179-61.6-57.6-104.200113.6W707 V710 Y712 L834 A835 G836 D840W707-M838 PolarHBondContact NE1-O 2.73Å; V710-M838 HydrophobicContact CB-CE 3.65Å; V710-M838 HydrophobicContact CG1-CE 3.83Å; V710-M838 HydrophobicContact CG2-CE 4.03Å; Y712-M838 VanDerWaalsContact CB-CE 3.44Å; Y712-M838 HydrophobicContact CD1-CB 4.31Å; Y712-M838 HydrophobicContact CD1-CE 4.4Å; Y712-M838 HydrophobicContact CD1-CG 4.35Å; Y712-M838 HydrophobicContact CD2-CE 4.38Å; Y712-M838 HydrophobicContact CD2-CG 3.92Å; Y712-M838 HydrophobicContact CE1-CB 4.14Å; Y712-M838 HydrophobicContact CE2-CB 4.38Å; Y712-M838 HydrophobicContact CE2-CG 4.11Å; Y712-M838 HydrophobicContact CG-CB 4.5Å; Y712-M838 HydrophobicContact CG-CE 3.84Å; Y712-M838 HydrophobicContact CG-CG 4.05Å; L834-M838 HydrophobicContact CD1-CG 4.34Å; L834-M838 HydrophobicContact CG-CG 4.43Å; L834-M838 WeakPolarHBondContact O-CB 2.91Å; L834-M838 VanDerWaalsContact O-CG 3.28Å; L834-M838 WeakPolarHBondContact O-CG 3.46Å; L834-M838 PolarHBondContact O-N 2.87Å; A835-M838 PolarHBondContact O-N 3.45Å; G836-M838 VanDerWaalsContact C-N 3.28Å; G836-M838 PolarHBondContact O-N 2.95Å; M838-D840 PolarHBondContact O-N 3.02Å
839D82.4Confident85.5Confident85 Ų8534.7 Ų34.746%0.45518%0.183SC..THydrogen-bonded Turntrans52.142.1-178.4-164.326.5000112H699 K703 A835 G836 Q837H699-D839 IonicContact CE1-OD2 2.7Å; K703-D839 WeakPolarHBondContact CE-O 2.91Å; K703-D839 WeakPolarHBondContact CE-OD2 3.49Å; K703-D839 PolarHBondContact NZ-O 3.33Å; K703-D839 IonicContact NZ-OD1 2.95Å; K703-D839 IonicContact NZ-OD2 2.73Å; K703-D839 PolarHBondContact NZ-OD2 2.99Å; A835-D839 PolarHBondContact O-N 3.25Å; G836-D839 PolarHBondContact O-N 3.01Å; Q837-D839 VanDerWaalsContact C-N 3.31Å
840D85.1Confident85.3Confident0 Ų032.3 Ų32.30%017%0.174CC..  trans-104.315.5-175.3-164.126.1000113.2W707 Y712 T714 R719 A835 M838W707-D840 VanDerWaalsContact CH2-OD1 3.29Å; W707-D840 WeakPolarHBondContact CH2-OD1 3.37Å; W707-D840 HydrophobicContact CZ2-CB 3.87Å; W707-D840 WeakPolarHBondContact CZ2-OD1 3.31Å; Y712-D840 HydrophobicContact CE1-CB 4.23Å; Y712-D840 WeakPolarHBondContact CE1-OD2 3.38Å; Y712-D840 PolarHBondContact OH-OD2 3.32Å; T714-D840 VanDerWaalsContact CB-OD2 3.32Å; T714-D840 WeakPolarHBondContact CB-OD2 3.41Å; T714-D840 PolarHBondContact OG1-OD1 2.83Å; T714-D840 PolarHBondContact OG1-OD2 3.2Å; R719-D840 IonicContact CZ-OD1 3.48Å; R719-D840 IonicContact NH1-OD1 3.55Å; R719-D840 PolarHBondContact NH1-OD1 2.89Å; R719-D840 PolarHBondContact NH2-O 3.42Å; R719-D840 IonicContact NH2-OD1 3.27Å; R719-D840 PolarHBondContact NH2-OD1 3.4Å; A835-D840 HydrophobicContact CB-CB 4.25Å; A835-D840 PolarHBondContact O-N 3.16Å; M838-D840 PolarHBondContact O-N 3.02Å
841L85.1Confident84.8Confident12 Ų1228.3 Ų28.36%0.06315%0.153CC..  trans-111.294.6179.8-61.8176000110.8Y832 A835 L847 V904Y832-L841 HydrophobicContact CD2-CD1 4.18Å; Y832-L841 HydrophobicContact CD2-CD2 4.1Å; Y832-L841 HydrophobicContact CE2-CD1 3.56Å; Y832-L841 HydrophobicContact CE2-CD2 3.96Å; Y832-L841 HydrophobicContact CE2-CG 4.44Å; A835-L841 HydrophobicContact CB-CD2 3.8Å; A835-L841 HydrophobicContact CB-CG 4.06Å; L841-L847 HydrophobicContact CD2-CD1 3.84Å; L841-L847 HydrophobicContact CD2-CD2 3.93Å; L841-V904 HydrophobicContact CD2-CG2 4.4Å
842N84.7Confident83.7Confident68 Ų6830.2 Ų30.236%0.36417%0.174SC..  trans-104.2146.1171.2-53.8-67.4000111.4R719 G844 D845 V904R719-N842 VanDerWaalsContact CZ-ND2 3.31Å; R719-N842 PolarHBondContact NE-ND2 3.24Å; R719-N842 PolarHBondContact NH2-ND2 3.08Å; N842-G844 PolarHBondContact O-N 3.01Å; N842-D845 WeakPolarHBondContact CB-OD2 3.23Å; N842-D845 PolarHBondContact N-OD2 3.24Å; N842-D845 PolarHBondContact ND2-OD2 3.34Å; N842-D845 WeakPolarHBondContact O-CB 3.33Å; N842-D845 PolarHBondContact O-N 2.9Å; N842-V904 WeakPolarHBondContact O-CB 3.4Å; N842-V904 WeakPolarHBondContact O-CG1 3.4Å
843L84.1Confident82.2Confident55 Ų5534.2 Ų34.229%0.28820%0.196SC..THydrogen-bonded Turntrans-58.3120.5173.3-69.4168.7000110.8Q906 K907L843-Q906 WeakPolarHBondContact CD2-O 3.44Å; L843-K907 HydrophobicContact CD1-CB 4.26Å; L843-K907 HydrophobicContact CD1-CD 4.27Å; L843-K907 HydrophobicContact CD1-CG 4.25Å; L843-K907 HydrophobicContact CD2-CB 4.34Å
844G83.1Confident80.1Confident8 Ų836.6 Ų36.68%0.08222%0.219CC..THydrogen-bonded Turntrans104.3-9.6-175.900000115N842 V904 S925 K928 S929N842-G844 PolarHBondContact O-N 3.01Å; G844-V904 PolarHBondContact N-O 2.93Å; G844-S925 WeakPolarHBondContact CA-O 3.41Å; G844-K928 CarbonylContact O-C 3.57Å; G844-S929 VanDerWaalsContact O-CA 3.28Å; G844-S929 WeakPolarHBondContact O-CA 3.32Å; G844-S929 PolarHBondContact O-N 3.04Å
845D85.9Confident78Confident18 Ų1841.8 Ų41.810%0.09624%0.242CC..  trans-74.4154.9176.4-69.5-16.7000111.6R719 N842 V904R719-D845 IonicContact CZ-OD2 3.57Å; R719-D845 VanDerWaalsContact CZ-OD2 3.25Å; R719-D845 IonicContact NE-OD1 3.8Å; R719-D845 IonicContact NE-OD2 3.57Å; R719-D845 PolarHBondContact NE-OD2 2.83Å; R719-D845 IonicContact NH2-OD2 3.27Å; R719-D845 PolarHBondContact NH2-OD2 2.77Å; N842-D845 WeakPolarHBondContact CB-OD2 3.23Å; N842-D845 PolarHBondContact N-OD2 3.24Å; N842-D845 PolarHBondContact ND2-OD2 3.34Å; N842-D845 WeakPolarHBondContact O-CB 3.33Å; N842-D845 PolarHBondContact O-N 2.9Å; D845-V904 HydrophobicContact CB-CG2 4.26Å; D845-V904 PolarHBondContact O-N 2.86Å
846C88.3Confident75.6Confident0 Ų048.9 Ų48.90%028%0.28CS..EExtended strand (participates in β ladder)trans-124.4116.31721780000109.5S716 V717 L902 L903 A932S716-C846 WeakPolarHBondContact CA-O 3.3Å; V717-C846 PolarHBondContact N-O 3.31Å; C846-L902 WeakPolarHBondContact CA-O 3.37Å; C846-L903 HydrophobicContact CB-CD2 4.24Å; C846-A932 HydrophobicContact CB-CB 3.9Å
847L88.3Confident73.1Confident0 Ų051.6 Ų51.60%029%0.294CS..EExtended strand (participates in β ladder)trans-93.5127.5176.5-68.582.4000109.8F715 I805 A835 L841 G901 L902 V904F715-L847 HydrophobicContact CB-CB 4.46Å; F715-L847 HydrophobicContact CB-CD2 4.48Å; F715-L847 WeakPolarHBondContact O-CA 3.35Å; I805-L847 HydrophobicContact CD1-CD1 4.35Å; A835-L847 HydrophobicContact CB-CD2 3.87Å; L841-L847 HydrophobicContact CD2-CD1 3.84Å; L841-L847 HydrophobicContact CD2-CD2 3.93Å; L847-G901 CarbonylContact O-C 3.55Å; L847-G901 WeakPolarHBondContact O-CA 3.44Å; L847-L902 HydrophobicContact CB-CB 4.25Å; L847-L902 PolarHBondContact N-O 3.23Å; L847-L902 PolarHBondContact O-N 3.47Å; L847-V904 HydrophobicContact CD1-CG2 3.59Å
848I86.9Confident70.5Confident0 Ų048.9 Ų48.90%029%0.292CS..EExtended strand (participates in β ladder)trans-113.4116179.3-61.5-177.2000110.1F715 V717 F800 F870 F899 C900 A936F715-I848 WeakPolarHBondContact CD1-O 3.17Å; F715-I848 PolarHBondContact O-N 3.36Å; V717-I848 HydrophobicContact CB-CD1 4.5Å; V717-I848 HydrophobicContact CG2-CB 4.03Å; V717-I848 HydrophobicContact CG2-CD1 3.66Å; V717-I848 HydrophobicContact CG2-CG1 3.73Å; F800-I848 HydrophobicContact CE1-CD1 3.98Å; F800-I848 HydrophobicContact CE1-CG1 4.42Å; F800-I848 HydrophobicContact CE1-CG2 3.76Å; I848-F870 HydrophobicContact CB-CB 4.34Å; I848-F870 HydrophobicContact CB-CD2 4.46Å; I848-F870 HydrophobicContact CB-CG 4.42Å; I848-F870 HydrophobicContact CG2-CB 4.22Å; I848-F870 HydrophobicContact CG2-CD2 3.65Å; I848-F870 HydrophobicContact CG2-CE2 4.23Å; I848-F870 HydrophobicContact CG2-CG 4.08Å; I848-F899 HydrophobicContact CG2-CB 4.12Å; I848-F899 HydrophobicContact CG2-CD1 3.84Å; I848-F899 HydrophobicContact CG2-CG 4.25Å; I848-C900 WeakPolarHBondContact CA-O 3.19Å; I848-A936 HydrophobicContact CD1-CB 3.3Å
849V85.5Confident68.1Low0 Ų054.8 Ų54.80%033%0.331CS..EExtended strand (participates in β ladder)trans-114127.5-177.5-173.10000110.4F715 I828 V831 F899 C900F715-V849 HydrophobicContact CD1-CG2 4.46Å; I828-V849 HydrophobicContact CG1-CB 4.48Å; I828-V849 HydrophobicContact CG1-CG1 4.15Å; V831-V849 HydrophobicContact CB-CG2 4.26Å; V831-V849 HydrophobicContact CG1-CG2 3.78Å; V831-V849 HydrophobicContact CG2-CG1 4.24Å; V849-F899 CarbonylContact O-C 3.55Å; V849-F899 WeakPolarHBondContact O-CA 3.38Å; V849-C900 PolarHBondContact N-O 2.89Å; V849-C900 PolarHBondContact O-N 2.75Å
850P81.3Confident65.6Low9 Ų955.3 Ų55.36%0.05834%0.342CS..EExtended strand (participates in β ladder)trans-70.8136.8174.929.4-34.3000111.4Y873 F899P850-Y873 HydrophobicContact CB-CE2 3.9Å; P850-Y873 HydrophobicContact CG-CE2 3.98Å; P850-F899 HydrophobicContact CB-CD1 4.22Å; P850-F899 HydrophobicContact CB-CE1 4.13Å
851I76.1Confident63.1Low3 Ų360 Ų602%0.01538%0.375CS..EExtended strand (participates in β ladder)trans-101.1108.5174.4-52.3173.9000107.3I828 N898 C900I828-I851 HydrophobicContact CD1-CG1 4.41Å; I851-N898 HydrophobicContact CB-CB 4.27Å; I851-N898 HydrophobicContact CD1-CB 4.48Å; I851-N898 PolarHBondContact N-O 3.45Å; I851-C900 HydrophobicContact CD1-CB 4.09Å; I851-C900 HydrophobicContact CG1-CB 4.2Å
852G62.7Low60.4Low50 Ų5065.7 Ų65.752%0.51542%0.415SS..  trans-71.6133.7176.600000112.3
853N54.7Low57.9Low88 Ų8867.6 Ų67.647%0.47143%0.429SS..  trans-75.5125.3172.1-68.1-21.4000109.7E855 L896 N898N853-E855 PolarHBondContact O-N 2.69Å; N853-E855 VanDerWaalsContact O-N 3.13Å; N853-L896 PolarHBondContact ND2-O 3.22Å; N853-L896 VanDerWaalsContact ND2-O 3.08Å; N853-N898 PolarHBondContact OD1-ND2 3.1Å
854S44Very low55.6Low109 Ų10974.3 Ų74.376%0.76246%0.46SS*.THydrogen-bonded Turntrans-72.12.4-175.948.20000115.4
855E41.5Very low53.8Low176 Ų17682.9 Ų82.982%0.82249%0.494SS*.THydrogen-bonded Turntrans-98.2-3.3-166.4-67.4-172.6163.600116N853N853-E855 PolarHBondContact O-N 2.69Å; N853-E855 VanDerWaalsContact O-N 3.13Å
856N35.5Very low52.3Low149 Ų14989.3 Ų89.380%0.79752%0.524SS*.SBendtrans-124.220.7-173.4-80.9-10.2000117
857S31Very low50.9Low85 Ų8594.6 Ų94.659%0.59455%0.551SS**  trans-120.598.9176.462.40000113.2
858S31.1Very low49.8Very low95 Ų9599 Ų9966%0.66457%0.57SS**  trans-58.6138.5158.8440000110.5S860S858-S860 VanDerWaalsContact C-N 3.25Å; S858-S860 PolarHBondContact O-N 2.71Å
859P32.3Very low49.1Very low140 Ų14099.4 Ų99.491%0.90957%0.573SS**SBendtrans-8258.2-169.634.4-36.2000112.6
860S29.6Very low48.5Very low97 Ų9799.8 Ų99.868%0.67857%0.574SS**  trans-147.362.8-176.165.20000113.6S858S858-S860 VanDerWaalsContact C-N 3.25Å; S858-S860 PolarHBondContact O-N 2.71Å
861S33.5Very low48.1Very low99 Ų99105.2 Ų105.269%0.69260%0.599SS**  trans-166.7113.7148.850.30000109.9T863S861-T863 VanDerWaalsContact C-N 3.28Å; S861-T863 PolarHBondContact O-N 3.44Å
862S28.8Very low47.6Very low130 Ų130106.6 Ų106.691%0.90961%0.606SS**  trans-7874.9173.451.90000110
863T30.9Very low47.8Very low108 Ų108106.9 Ų106.966%0.66359%0.592SS**  trans-128123.4169.244.40000107.8S861 K865S861-T863 VanDerWaalsContact C-N 3.28Å; S861-T863 PolarHBondContact O-N 3.44Å; T863-K865 PolarHBondContact O-N 2.89Å
864E36.1Very low48.4Very low197 Ų197104.7 Ų104.792%0.92158%0.58SS**  trans-42.9117.8-179.2-68.3171.4154.600110.8E866E864-E866 PolarHBondContact O-N 3.15Å
865K46.5Very low49.1Very low187 Ų187102.3 Ų102.381%0.81356%0.561SS**  trans-69.398.3177.4-79.4-176.7176.5-179.50108.6T863 I867T863-K865 PolarHBondContact O-N 2.89Å; K865-I867 PolarHBondContact O-N 2.94Å
866E53.1Low49.5Very low154 Ų15498.5 Ų98.572%0.7255%0.546SS*.  trans-58.1124174.3-152.8179.6-17500110.2E864 K868E864-E866 PolarHBondContact O-N 3.15Å; E866-K868 PolarHBondContact O-N 2.86Å
867I60.1Low50Low110 Ų11097.2 Ų97.256%0.56454%0.535SS*.  trans-76.1107.8-177.6-59.8175.9000108.8F715 K865F715-I867 HydrophobicContact CE1-CG2 4.38Å; F715-I867 HydrophobicContact CE2-CG2 4.45Å; F715-I867 HydrophobicContact CZ-CG2 3.56Å; K865-I867 PolarHBondContact O-N 2.94Å
868K64.6Low50.3Low92 Ų92101 Ų10140%0.454%0.543SS..  trans-84.3128.1179.1-62.9-171.2179.8-169.40111.7E866 D872 Y873E866-K868 PolarHBondContact O-N 2.86Å; K868-D872 HydrophobicContact CB-CB 4.21Å; K868-Y873 HydrophobicContact CB-CD2 4.11Å; K868-Y873 HydrophobicContact CB-CE2 3.6Å; K868-Y873 HydrophobicContact CD-CE2 4.45Å
869T71.5Confident50.6Low10 Ų10103.3 Ų103.36%0.06155%0.548CS..  trans-81.2165.4171.362.20000111.7K713 H871 D872 Y873K713-T869 HydrophobicContact CB-CG2 3.52Å; K713-T869 HydrophobicContact CD-CG2 3.91Å; K713-T869 HydrophobicContact CG-CG2 4.39Å; T869-H871 PolarHBondContact O-N 2.73Å; T869-D872 PolarHBondContact N-OD2 3.25Å; T869-D872 WeakPolarHBondContact O-CB 3.15Å; T869-D872 PolarHBondContact O-N 2.88Å; T869-D872 PolarHBondContact OG1-N 3.01Å; T869-D872 PolarHBondContact OG1-OD2 3.43Å; T869-Y873 WeakPolarHBondContact O-CD2 3.38Å; T869-Y873 PolarHBondContact O-N 2.86Å; T869-Y873 VanDerWaalsContact O-N 3.17Å
870F74.2Confident50.7Low7 Ų7103.7 Ų103.73%0.03154%0.542CS..Hα-helixtrans-56-34.5174.3-175.1-106.5000112.7V717 F800 I848 Y873 L874 F899 A936 L940V717-F870 HydrophobicContact CG1-CD1 4.25Å; V717-F870 HydrophobicContact CG2-CD1 4.41Å; F800-F870 HydrophobicContact CZ-CE2 4.14Å; I848-F870 HydrophobicContact CB-CB 4.34Å; I848-F870 HydrophobicContact CB-CD2 4.46Å; I848-F870 HydrophobicContact CB-CG 4.42Å; I848-F870 HydrophobicContact CG2-CB 4.22Å; I848-F870 HydrophobicContact CG2-CD2 3.65Å; I848-F870 HydrophobicContact CG2-CE2 4.23Å; I848-F870 HydrophobicContact CG2-CG 4.08Å; F870-Y873 WeakPolarHBondContact O-CB 3.21Å; F870-Y873 PolarHBondContact O-N 3.24Å; F870-L874 HydrophobicContact CD1-CD1 4.04Å; F870-L874 HydrophobicContact CE1-CD1 3.77Å; F870-L874 HydrophobicContact CE1-CG 4.39Å; F870-L874 HydrophobicContact CZ-CD1 4.49Å; F870-L874 PolarHBondContact O-N 2.72Å; F870-F899 HydrophobicContact CD2-CD1 4.2Å; F870-F899 AromaticContact CD2-CE1 3.89Å; F870-F899 HydrophobicContact CD2-CE1 3.89Å; F870-F899 HydrophobicContact CD2-CZ 4.33Å; F870-F899 HydrophobicContact CE2-CE1 4.32Å; F870-F899 HydrophobicContact CE2-CZ 4.37Å; F870-A936 HydrophobicContact CE1-CB 3.82Å; F870-A936 HydrophobicContact CZ-CB 3.88Å; F870-L940 HydrophobicContact CE2-CD1 4.24Å; F870-L940 HydrophobicContact CE2-CD2 3.72Å; F870-L940 HydrophobicContact CE2-CG 4.43Å; F870-L940 HydrophobicContact CZ-CD2 3.44Å; F870-L940 VanDerWaalsContact CZ-CD2 3.44Å; F870-L940 HydrophobicContact CZ-CG 4.27Å
871H71.7Confident50.7Low124 Ų124105.9 Ų105.957%0.57455%0.546SS*.Hα-helixtrans-69.3-39175.6-165.766.8000112.4T869 Y873 L874 T875T869-H871 PolarHBondContact O-N 2.73Å; H871-Y873 PolarHBondContact O-N 3.33Å; H871-L874 PolarHBondContact O-N 2.7Å; H871-T875 PolarHBondContact O-N 2.85Å; H871-T875 PolarHBondContact O-OG1 3.17Å
872D66.8Low50.6Low31 Ų31108.5 Ų108.517%0.16655%0.553CS.*Hα-helixtrans-61.9-28174.4-59.3-43.7000111.9K713 K868 T869 N876K713-D872 IonicContact NZ-OD1 3.53Å; K713-D872 IonicContact NZ-OD2 3.24Å; K713-D872 PolarHBondContact NZ-OD2 2.79Å; K868-D872 HydrophobicContact CB-CB 4.21Å; T869-D872 PolarHBondContact N-OD2 3.25Å; T869-D872 WeakPolarHBondContact O-CB 3.15Å; T869-D872 PolarHBondContact O-N 2.88Å; T869-D872 PolarHBondContact OG1-N 3.01Å; T869-D872 PolarHBondContact OG1-OD2 3.43Å; D872-N876 PolarHBondContact O-N 3.47Å; D872-N876 PolarHBondContact O-ND2 3.44Å
873Y66.9Low51Low57 Ų57110.3 Ų110.322%0.22455%0.552CS.*Hα-helixtrans-74.4-28.1172.6-84.5-76.9000113.3P850 K868 T869 F870 H871 H877 N897 F899P850-Y873 HydrophobicContact CB-CE2 3.9Å; P850-Y873 HydrophobicContact CG-CE2 3.98Å; K868-Y873 HydrophobicContact CB-CD2 4.11Å; K868-Y873 HydrophobicContact CB-CE2 3.6Å; K868-Y873 HydrophobicContact CD-CE2 4.45Å; T869-Y873 WeakPolarHBondContact O-CD2 3.38Å; T869-Y873 PolarHBondContact O-N 2.86Å; T869-Y873 VanDerWaalsContact O-N 3.17Å; F870-Y873 WeakPolarHBondContact O-CB 3.21Å; F870-Y873 PolarHBondContact O-N 3.24Å; H871-Y873 PolarHBondContact O-N 3.33Å; Y873-H877 PolarHBondContact O-CD2 3.29Å; Y873-N897 WeakPolarHBondContact CE1-ND2 3.5Å; Y873-N897 PolarHBondContact OH-ND2 3.06Å; Y873-F899 HydrophobicContact CD2-CE1 4.47Å
874L66Low51Low42 Ų42111.3 Ų111.322%0.2256%0.558CS.*Hα-helixtrans-80.2-35.7177.1-68.4170.6000112.3F870 H871 W895 R939 L940F870-L874 HydrophobicContact CD1-CD1 4.04Å; F870-L874 HydrophobicContact CE1-CD1 3.77Å; F870-L874 HydrophobicContact CE1-CG 4.39Å; F870-L874 HydrophobicContact CZ-CD1 4.49Å; F870-L874 PolarHBondContact O-N 2.72Å; H871-L874 PolarHBondContact O-N 2.7Å; L874-W895 HydrophobicContact CD2-CH2 4.45Å; L874-R939 HydrophobicContact CD2-CB 4.16Å; L874-L940 HydrophobicContact CD2-CD2 4.11Å
875T58.8Low50.8Low58 Ų58109.1 Ų109.136%0.35655%0.553SS.*Hα-helixtrans-83.1-36.3-173.351.60000114.3H871 H877 H878H871-T875 PolarHBondContact O-N 2.85Å; H871-T875 PolarHBondContact O-OG1 3.17Å; T875-H877 PolarHBondContact O-N 2.68Å; T875-H878 PolarHBondContact O-N 3.5Å; T875-H878 VanDerWaalsContact O-N 3.17Å
876N50.4Low50Low97 Ų97104.9 Ų104.952%0.51955%0.547SS..THydrogen-bonded Turntrans-63.9-8.7-178.5-82.3-49.5000114.7D872D872-N876 PolarHBondContact O-N 3.47Å; D872-N876 PolarHBondContact O-ND2 3.44Å
877H46.3Very low48.9Very low122 Ų122104.3 Ų104.357%0.56555%0.554SS**THydrogen-bonded Turntrans-88.9-6.5177.7-85.2-73.8000114.4Y873 T875Y873-H877 PolarHBondContact O-CD2 3.29Å; T875-H877 PolarHBondContact O-N 2.68Å
878H38.3Very low47.3Very low165 Ų165107.9 Ų107.976%0.76457%0.565SS**SBendtrans-99.2-14.6-175.2-102.1-66.4000116.1T875T875-H878 PolarHBondContact O-N 3.5Å; T875-H878 VanDerWaalsContact O-N 3.17Å
879D36.1Very low45.6Very low142 Ų142109.4 Ų109.476%0.75958%0.584SS**SBendtrans-100.36-167.2-80.2-19.3000116.7
880N34.7Very low43.5Very low148 Ų148114.8 Ų114.879%0.79162%0.617SS**  trans-103.811.5-174.7-84.6-14.3000116.7
881N30.6Very low41.5Very low143 Ų143120.4 Ų120.477%0.76565%0.652SS**  trans-113.674.2-177.4-72.9-16.8000112.7
882N30.6Very low39.8Very low155 Ų155120.6 Ų120.683%0.82965%0.652SS**  trans-125.370.1159.5-83.2-31.7000107.7
883D36.4Very low38.2Very low167 Ų167125.3 Ų125.389%0.89368%0.678SS**SBendtrans-160.6145.8158.1-95.3-33.8000110.8
884V31.1Very low37.1Very low130 Ų130128.1 Ų128.179%0.78869%0.693SS**  trans-75.3116-161.6176.50000111.7
885D32Very low36.4Very low150 Ų150129.9 Ų129.980%0.80270%0.697SS**  trans177.9117.7131-105-19.1000111.7
886S29.1Very low36Very low99 Ų99132.4 Ų132.469%0.69271%0.707SS**  trans-71144.8168.847.30000111.2
887T30.6Very low36.6Very low141 Ų141129.8 Ų129.887%0.86569%0.693SS**  trans122.225.5163.1680000119.4
888K27.4Very low38.2Very low186 Ų186124.6 Ų124.681%0.80967%0.67SS**SBendtrans-138.7139.2161.7-71.8-176179.8174.40112.2V890K888-V890 PolarHBondContact O-N 2.9Å
889P28.8Very low40.4Very low123 Ų123116.9 Ų116.980%0.79963%0.634SS**  trans-66.3120.3174.228.1-30.7000108.6V891P889-V891 PolarHBondContact O-N 2.81Å
890V26.8Very low42.8Very low123 Ų123110.1 Ų110.175%0.74560%0.598SS**  trans-69.7101.5-1801790000108.5K888 H892K888-V890 PolarHBondContact O-N 2.9Å; V890-H892 PolarHBondContact O-N 2.95Å
891V32.2Very low45.3Very low126 Ų126103.1 Ų103.176%0.76456%0.56SS**  trans-61.9115.2166.9178.40000107.1P889 D893P889-V891 PolarHBondContact O-N 2.81Å; V891-D893 PolarHBondContact O-N 2.95Å
892H36.1Very low48.2Very low127 Ų12796.3 Ų96.359%0.58852%0.524SS*.  trans-59.2105.6-179.4-81.8-68000110.6V890 H894 K941V890-H892 PolarHBondContact O-N 2.95Å; H892-H894 PolarHBondContact O-N 2.99Å; H892-K941 PolarHBondContact NE2-NZ 3.48Å; H892-K941 VanDerWaalsContact NE2-NZ 3.12Å
893D33Very low51Low131 Ų13189 Ų8970%0.70149%0.485SS*.  trans-56.1121177.5-100.9-28000112V891V891-D893 PolarHBondContact O-N 2.95Å
894H44.2Very low53.5Low116 Ų11681 Ų8154%0.53744%0.442SS..  trans-4.8110.7175.8-62.8-72.1000120.2H892 L896H892-H894 PolarHBondContact O-N 2.99Å; H894-L896 VanDerWaalsContact C-N 3.32Å; H894-L896 HydrophobicContact CB-CD1 4.28Å; H894-L896 HydrophobicContact CB-CG 4.11Å; H894-L896 PolarHBondContact O-N 3.45Å
895W51.3Low56.1Low79 Ų7974.9 Ų74.930%0.29941%0.405SS..  trans-66.385.7158.8-66.361.4000109.8P798 L874 N897 L940P798-W895 HydrophobicContact CB-CB 4.27Å; P798-W895 HydrophobicContact CG-CB 3.91Å; P798-W895 HydrophobicContact CG-CD2 4.24Å; P798-W895 HydrophobicContact CG-CE3 4.14Å; P798-W895 HydrophobicContact CG-CG 4.19Å; L874-W895 HydrophobicContact CD2-CH2 4.45Å; W895-N897 VanDerWaalsContact C-N 3.29Å; W895-N897 PolarHBondContact O-N 2.75Å; W895-L940 HydrophobicContact CE3-CB 4.26Å; W895-L940 HydrophobicContact CE3-CD1 3.94Å; W895-L940 HydrophobicContact CE3-CD2 4.31Å; W895-L940 HydrophobicContact CE3-CG 4.36Å; W895-L940 HydrophobicContact CH2-CB 3.8Å; W895-L940 HydrophobicContact CH2-CD1 4.4Å; W895-L940 HydrophobicContact CH2-CD2 3.33Å; W895-L940 HydrophobicContact CH2-CG 3.97Å; W895-L940 HydrophobicContact CZ2-CB 4.33Å; W895-L940 HydrophobicContact CZ3-CB 3.74Å; W895-L940 HydrophobicContact CZ3-CD1 3.55Å; W895-L940 HydrophobicContact CZ3-CD2 3.17Å; W895-L940 HydrophobicContact CZ3-CG 3.61Å
896L51.1Low58.7Low111 Ų11169.1 Ų69.158%0.58137%0.373SS*.  trans-76.6-5.9-174.4-86.4150000115.1N853 H894N853-L896 PolarHBondContact ND2-O 3.22Å; N853-L896 VanDerWaalsContact ND2-O 3.08Å; H894-L896 VanDerWaalsContact C-N 3.32Å; H894-L896 HydrophobicContact CB-CD1 4.28Å; H894-L896 HydrophobicContact CB-CG 4.11Å; H894-L896 PolarHBondContact O-N 3.45Å
897N62.9Low61.2Low41 Ų4169.9 Ų69.922%0.21936%0.364CS..  trans-114139.3-173.2-64-42.8000113Y873 W895Y873-N897 WeakPolarHBondContact CE1-ND2 3.5Å; Y873-N897 PolarHBondContact OH-ND2 3.06Å; W895-N897 VanDerWaalsContact C-N 3.29Å; W895-N897 PolarHBondContact O-N 2.75Å
898N78.2Confident63.2Low13 Ų1366 Ų667%0.0734%0.336CS..EExtended strand (participates in β ladder)trans-91.8160.4171.4-60.3-53.2000109.6Y799 I851 N853Y799-N898 VanDerWaalsContact CD1-OD1 3.23Å; Y799-N898 WeakPolarHBondContact CD1-OD1 3.4Å; Y799-N898 HydrophobicContact CD2-CB 4.3Å; Y799-N898 HydrophobicContact CE1-CB 4.37Å; Y799-N898 VanDerWaalsContact CE1-CG 3.43Å; Y799-N898 WeakPolarHBondContact CE1-OD1 3.48Å; Y799-N898 HydrophobicContact CE2-CB 3.87Å; Y799-N898 PolarHBondContact OH-ND2 3.11Å; I851-N898 HydrophobicContact CB-CB 4.27Å; I851-N898 HydrophobicContact CD1-CB 4.48Å; I851-N898 PolarHBondContact N-O 3.45Å; N853-N898 PolarHBondContact OD1-ND2 3.1Å
899F85Confident65.1Low4 Ų459.6 Ų59.62%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-126.3152.7-176.8-63-83000112.1Y799 F800 V801 I848 V849 P850 F870 Y873 L940Y799-F899 PolarHBondContact O-N 2.86Å; F800-F899 CarbonylContact C-O 3.55Å; F800-F899 VanDerWaalsContact CA-O 3.31Å; F800-F899 WeakPolarHBondContact CA-O 3.45Å; F800-F899 HydrophobicContact CD1-CB 3.49Å; F800-F899 VanDerWaalsContact CD1-CB 3.49Å; F800-F899 HydrophobicContact CD1-CG 4.44Å; F800-F899 HydrophobicContact CE1-CB 3.38Å; F800-F899 HydrophobicContact CE1-CD2 4.25Å; F800-F899 AromaticContact CE1-CG 3.9Å; F800-F899 HydrophobicContact CE1-CG 3.9Å; F800-F899 HydrophobicContact CE2-CD2 4.27Å; F800-F899 HydrophobicContact CG-CB 4.14Å; F800-F899 HydrophobicContact CZ-CB 3.96Å; F800-F899 AromaticContact CZ-CD2 3.94Å; F800-F899 HydrophobicContact CZ-CD2 3.94Å; F800-F899 HydrophobicContact CZ-CG 4.05Å; V801-F899 PolarHBondContact N-O 3.44Å; I848-F899 HydrophobicContact CG2-CB 4.12Å; I848-F899 HydrophobicContact CG2-CD1 3.84Å; I848-F899 HydrophobicContact CG2-CG 4.25Å; V849-F899 CarbonylContact O-C 3.55Å; V849-F899 WeakPolarHBondContact O-CA 3.38Å; P850-F899 HydrophobicContact CB-CD1 4.22Å; P850-F899 HydrophobicContact CB-CE1 4.13Å; F870-F899 HydrophobicContact CD2-CD1 4.2Å; F870-F899 AromaticContact CD2-CE1 3.89Å; F870-F899 HydrophobicContact CD2-CE1 3.89Å; F870-F899 HydrophobicContact CD2-CZ 4.33Å; F870-F899 HydrophobicContact CE2-CE1 4.32Å; F870-F899 HydrophobicContact CE2-CZ 4.37Å; Y873-F899 HydrophobicContact CD2-CE1 4.47Å; F899-L940 HydrophobicContact CD2-CD1 4.21Å; F899-L940 HydrophobicContact CE2-CD1 3.93Å
900C87.1Confident66.6Low0 Ų063.2 Ų63.20%032%0.318CS..EExtended strand (participates in β ladder)trans-114.9124.7169.3-173.50000109.5V801 I828 I848 V849 I851V801-C900 CarbonylContact O-C 3.56Å; V801-C900 WeakPolarHBondContact O-CA 3.37Å; V801-C900 PolarHBondContact O-SG 3.38Å; I828-C900 HydrophobicContact CD1-CB 3.8Å; I828-C900 HydrophobicContact CG1-CB 4.36Å; I848-C900 WeakPolarHBondContact CA-O 3.19Å; V849-C900 PolarHBondContact N-O 2.89Å; V849-C900 PolarHBondContact O-N 2.75Å; I851-C900 HydrophobicContact CD1-CB 4.09Å; I851-C900 HydrophobicContact CG1-CB 4.2Å
901G87.9Confident67.9Low0 Ų066.9 Ų66.90%032%0.318CS..EExtended strand (participates in β ladder)trans-104.9113.2177.200000111.9V801 C802 T803 L847V801-G901 PolarHBondContact O-N 3.48Å; C802-G901 WeakPolarHBondContact CA-O 3.4Å; T803-G901 PolarHBondContact N-O 2.91Å; T803-G901 VanDerWaalsContact N-O 3.09Å; L847-G901 CarbonylContact O-C 3.55Å; L847-G901 WeakPolarHBondContact O-CA 3.44Å
902L89.6Confident68.9Low0 Ų062.3 Ų62.30%029%0.291CS..EExtended strand (participates in β ladder)trans-97.6115176.9-53173.9000109.8T803 I805 W811 I828 Y832 C846 L847T803-L902 HydrophobicContact CG2-CD2 3.73Å; I805-L902 HydrophobicContact CD1-CB 3.49Å; I805-L902 VanDerWaalsContact CD1-CB 3.49Å; I805-L902 HydrophobicContact CD1-CD1 4.32Å; I805-L902 HydrophobicContact CD1-CG 4.48Å; I805-L902 HydrophobicContact CG1-CB 3.96Å; I805-L902 HydrophobicContact CG2-CB 4.38Å; I805-L902 HydrophobicContact CG2-CD2 4.22Å; W811-L902 HydrophobicContact CH2-CD2 4.37Å; W811-L902 HydrophobicContact CZ3-CD1 4.38Å; W811-L902 HydrophobicContact CZ3-CD2 4.43Å; I828-L902 HydrophobicContact CG2-CD1 4.15Å; I828-L902 HydrophobicContact CG2-CD2 4.37Å; Y832-L902 HydrophobicContact CD2-CD1 4.42Å; C846-L902 WeakPolarHBondContact CA-O 3.37Å; L847-L902 HydrophobicContact CB-CB 4.25Å; L847-L902 PolarHBondContact N-O 3.23Å; L847-L902 PolarHBondContact O-N 3.47Å
903L89.9Confident69.6Low2 Ų263.1 Ų63.11%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-94.2112.9-176.5-57.5174.8000110.7T803 T804 I805 C846 A905 L926 L930 L933T803-L903 PolarHBondContact O-N 2.99Å; T804-L903 WeakPolarHBondContact CA-O 3.17Å; T804-L903 HydrophobicContact CG2-CB 4.3Å; I805-L903 WeakPolarHBondContact CG1-O 3.27Å; I805-L903 PolarHBondContact N-O 3.29Å; C846-L903 HydrophobicContact CB-CD2 4.24Å; L903-A905 PolarHBondContact O-N 3.02Å; L903-A905 VanDerWaalsContact O-N 3.08Å; L903-L926 HydrophobicContact CD1-CD1 4.16Å; L903-L930 HydrophobicContact CD1-CD2 3.93Å; L903-L933 HydrophobicContact CD2-CB 4.35Å; L903-L933 HydrophobicContact CD2-CD2 4.35Å
904V89.2Confident70.4Confident0 Ų061.4 Ų61.40%029%0.293CS..EExtended strand (participates in β ladder)trans-81.788.6-178.4-1690000110.1I805 D807 L841 N842 G844 D845 L847I805-V904 HydrophobicContact CD1-CG2 3.69Å; I805-V904 HydrophobicContact CG1-CG2 4.08Å; D807-V904 HydrophobicContact CB-CG1 4.43Å; L841-V904 HydrophobicContact CD2-CG2 4.4Å; N842-V904 WeakPolarHBondContact O-CB 3.4Å; N842-V904 WeakPolarHBondContact O-CG1 3.4Å; G844-V904 PolarHBondContact N-O 2.93Å; D845-V904 HydrophobicContact CB-CG2 4.26Å; D845-V904 PolarHBondContact O-N 2.86Å; L847-V904 HydrophobicContact CD1-CG2 3.59Å
905A86.4Confident70.8Confident0 Ų059.6 Ų59.60%029%0.29CS..EExtended strand (participates in β ladder)trans-130.42.7-172.700000114.4T804 I805 L903 L921 Q922 L926T804-A905 HydrophobicContact CG2-CB 4.48Å; I805-A905 PolarHBondContact O-N 3Å; L903-A905 PolarHBondContact O-N 3.02Å; L903-A905 VanDerWaalsContact O-N 3.08Å; A905-L921 HydrophobicContact CB-CD1 3.76Å; A905-Q922 PolarHBondContact O-N 2.98Å; A905-L926 HydrophobicContact CB-CB 3.97Å; A905-L926 HydrophobicContact CB-CD1 4.03Å
906Q85.2Confident70.9Confident30 Ų3059.4 Ų59.414%0.1431%0.313CS..EExtended strand (participates in β ladder)trans-114.1132.9178.4-65.2178.1-58.700110I805 D806 D807 L843 P919 L921I805-Q906 PolarHBondContact O-N 3.35Å; D806-Q906 VanDerWaalsContact CA-O 3.28Å; D806-Q906 WeakPolarHBondContact CA-O 3.08Å; D806-Q906 HydrophobicContact CB-CB 3.91Å; D807-Q906 PolarHBondContact N-O 3.37Å; L843-Q906 WeakPolarHBondContact CD2-O 3.44Å; Q906-P919 HydrophobicContact CB-CB 4.26Å; Q906-P919 HydrophobicContact CB-CG 4.22Å; Q906-P919 PolarHBondContact NE2-O 3.42Å; Q906-P919 VanDerWaalsContact NE2-O 3.14Å; Q906-L921 HydrophobicContact CG-CD1 4.08Å
907K81.8Confident70.9Confident115 Ų11559.3 Ų59.350%0.531%0.309SS..  trans-94.7123.8179.4-175.1174-177173.80110.6L843 S909L843-K907 HydrophobicContact CD1-CB 4.26Å; L843-K907 HydrophobicContact CD1-CD 4.27Å; L843-K907 HydrophobicContact CD1-CG 4.25Å; L843-K907 HydrophobicContact CD2-CB 4.34Å; K907-S909 PolarHBondContact O-N 3.01Å
908H73.2Confident70.7Confident58 Ų5860.1 Ų60.127%0.26932%0.321SS..  trans-71.1125.7173.9-166.484.1000110.7D806 D807 S808 H913D806-H908 IonicContact OD2-CG 3.58Å; D806-H908 IonicContact OD2-ND1 3.28Å; D806-H908 PolarHBondContact OD2-ND1 3.47Å; D806-H908 VanDerWaalsContact OD2-ND1 3.12Å; D807-H908 WeakPolarHBondContact OD1-CA 3.29Å; D807-H908 WeakPolarHBondContact OD1-CB 3.48Å; D807-H908 PolarHBondContact OD1-N 3.47Å; S808-H908 WeakPolarHBondContact CB-ND1 3.44Å; H908-H913 AromaticContact CE1-CD2 3.28Å; H908-H913 PolarHBondContact CE1-CD2 2.91Å; H908-H913 AromaticContact CE1-NE2 3.33Å; H908-H913 PolarHBondContact CE1-NE2 3.28Å; H908-H913 VanDerWaalsContact CE1-NE2 3.33Å; H908-H913 AromaticContact NE2-CD2 3.59Å; H908-H913 AromaticContact NE2-NE2 3.97Å
909S67.3Low70.1Confident53 Ų5360.8 Ų60.837%0.37133%0.326SS..  trans-127136.2174.9179.80000109.5K907 R911 T912K907-S909 PolarHBondContact O-N 3.01Å; S909-R911 PolarHBondContact O-N 3.27Å; S909-R911 PolarHBondContact OG-N 2.95Å; S909-T912 PolarHBondContact O-N 3.12Å; S909-T912 PolarHBondContact O-OG1 3.28Å
910K59.4Low69.4Low198 Ų19865.6 Ų65.686%0.86135%0.352SS*.THydrogen-bonded Turntrans-56.2-19.9176.1-67.6-175.8179.1-178.90113.3
911R55.2Low69Low201 Ų20166.9 Ų66.976%0.75836%0.359SS*.THydrogen-bonded Turntrans-71.6-40.3175-92.5-177.4157.2-179.5-7.4113.4S909 H913 S914 T915S909-R911 PolarHBondContact O-N 3.27Å; S909-R911 PolarHBondContact OG-N 2.95Å; R911-H913 VanDerWaalsContact C-N 3.31Å; R911-H913 PolarHBondContact O-N 3.15Å; R911-S914 PolarHBondContact O-N 3.3Å; R911-S914 PolarHBondContact O-OG 3.42Å; R911-T915 PolarHBondContact O-N 3.22Å; R911-T915 PolarHBondContact O-OG1 2.91Å
912T53.4Low68.7Low30 Ų3070.5 Ų70.518%0.18438%0.376CS..Hα-helixtrans-66.4-34.1-173.452.70000112S909 S914 T915 G916S909-T912 PolarHBondContact O-N 3.12Å; S909-T912 PolarHBondContact O-OG1 3.28Å; T912-S914 PolarHBondContact O-N 3.47Å; T912-T915 PolarHBondContact O-N 3.3Å; T912-G916 PolarHBondContact O-N 3.43Å; T912-G916 VanDerWaalsContact O-N 3.13Å
913H50.3Low68.4Low143 Ų14373.7 Ų73.766%0.66239%0.393SS*.Hα-helixtrans-64-22.1172.4-99.6-56.8000114.8H908 R911H908-H913 AromaticContact CE1-CD2 3.28Å; H908-H913 PolarHBondContact CE1-CD2 2.91Å; H908-H913 AromaticContact CE1-NE2 3.33Å; H908-H913 PolarHBondContact CE1-NE2 3.28Å; H908-H913 VanDerWaalsContact CE1-NE2 3.33Å; H908-H913 AromaticContact NE2-CD2 3.59Å; H908-H913 AromaticContact NE2-NE2 3.97Å; R911-H913 VanDerWaalsContact C-N 3.31Å; R911-H913 PolarHBondContact O-N 3.15Å
914S50.1Low68.1Low96 Ų9679.5 Ų79.567%0.67142%0.424SS*.Hα-helixtrans-92.5-27.4-178.866.70000113.5R911 T912R911-S914 PolarHBondContact O-N 3.3Å; R911-S914 PolarHBondContact O-OG 3.42Å; T912-S914 PolarHBondContact O-N 3.47Å
915T52.1Low67.9Low78 Ų7880.1 Ų80.148%0.47943%0.428SS..Hα-helixtrans-96.2-17.8-178.255.90000113.3R911 T912 E917R911-T915 PolarHBondContact O-N 3.22Å; R911-T915 PolarHBondContact O-OG1 2.91Å; T912-T915 PolarHBondContact O-N 3.3Å; T915-E917 WeakPolarHBondContact CB-OE2 3.5Å; T915-E917 PolarHBondContact O-N 3.22Å; T915-E917 PolarHBondContact OG1-OE2 2.94Å
916G52.9Low68Low75 Ų7580.1 Ų80.177%0.77343%0.428SS*.  trans74.86.7-174.900000113.4T912T912-G916 PolarHBondContact O-N 3.43Å; T912-G916 VanDerWaalsContact O-N 3.13Å
917E52Low68Low108 Ų10881.5 Ų81.551%0.50544%0.435SS..PPolyproline II helixtrans-77137177.4-66.6165.9151.900110.4T915T915-E917 WeakPolarHBondContact CB-OE2 3.5Å; T915-E917 PolarHBondContact O-N 3.22Å; T915-E917 PolarHBondContact OG1-OE2 2.94Å
918A58Low68.2Low58 Ų5879.3 Ų79.348%0.47943%0.425SS..PPolyproline II helixtrans-61.7137.4175.500000110.3D920 T954A918-D920 PolarHBondContact O-N 3.04Å; A918-T954 HydrophobicContact CB-CG2 4.39Å
919P65.1Low68.8Low27 Ų2776.5 Ų76.518%0.17541%0.412CS..PPolyproline II helixtrans-62.4133.6179.123.3-30.7000111.4Q906 L921Q906-P919 HydrophobicContact CB-CB 4.26Å; Q906-P919 HydrophobicContact CB-CG 4.22Å; Q906-P919 PolarHBondContact NE2-O 3.42Å; Q906-P919 VanDerWaalsContact NE2-O 3.14Å; P919-L921 PolarHBondContact O-N 3.11Å
920D71.6Confident69.8Low105 Ų10574.1 Ų74.156%0.56140%0.395SS*.PPolyproline II helixtrans-60.2133.8-179.4-74.5-23.8000111.7A918 Q922A918-D920 PolarHBondContact O-N 3.04Å; D920-Q922 PolarHBondContact O-N 3.41Å
921L77.8Confident71.1Confident28 Ų2865.4 Ų65.415%0.14736%0.359CS..BIsolated β-bridgetrans-76.4119.9176.1-172.670.8000110.2T804 A905 Q906 P919 L923 L926 I962T804-L921 HydrophobicContact CG2-CD1 3.9Å; A905-L921 HydrophobicContact CB-CD1 3.76Å; Q906-L921 HydrophobicContact CG-CD1 4.08Å; P919-L921 PolarHBondContact O-N 3.11Å; L921-L923 PolarHBondContact O-N 3.49Å; L921-L926 HydrophobicContact CD2-CD2 4.1Å; L921-I962 HydrophobicContact CD2-CD1 3.56Å; L921-I962 HydrophobicContact CD2-CG1 4.33Å
922Q83Confident72.5Confident76 Ų7656 Ų5636%0.35532%0.324SS..  trans-87106.7177.6-62.2-161.9-20.200110.8A905 D920 N924 S925 L926A905-Q922 PolarHBondContact O-N 2.98Å; D920-Q922 PolarHBondContact O-N 3.41Å; Q922-N924 VanDerWaalsContact C-N 3.33Å; Q922-N924 PolarHBondContact O-N 3.22Å; Q922-S925 PolarHBondContact O-N 3.47Å; Q922-S925 VanDerWaalsContact O-N 3.09Å; Q922-L926 PolarHBondContact O-N 2.91Å
923L83.1Confident74.1Confident66 Ų6654.6 Ų54.635%0.34632%0.316SS..Hα-helixtrans-54-42.8-177.8-78.7153.9000113.6L921 S925 L926 E927 K961 L965L921-L923 PolarHBondContact O-N 3.49Å; L923-S925 VanDerWaalsContact C-N 3.33Å; L923-S925 PolarHBondContact O-N 3.15Å; L923-L926 PolarHBondContact O-N 3.11Å; L923-E927 PolarHBondContact O-N 2.94Å; L923-K961 HydrophobicContact CD1-CD 3.98Å; L923-K961 HydrophobicContact CD2-CB 3.99Å; L923-L965 HydrophobicContact CD2-CD1 3.86Å
924N83.9Confident75.8Confident125 Ų12547.8 Ų47.867%0.66828%0.284SS*.Hα-helixtrans-65.9-36.2179.7-65.810.6000112.3Q922 K928Q922-N924 VanDerWaalsContact C-N 3.33Å; Q922-N924 PolarHBondContact O-N 3.22Å; N924-K928 PolarHBondContact O-N 2.91Å
925S84.6Confident77.3Confident13 Ų1344.9 Ų44.99%0.09126%0.26CS..Hα-helixtrans-73-39.6176.5-580000110.9G844 Q922 L923 E927 K928 S929G844-S925 WeakPolarHBondContact CA-O 3.41Å; Q922-S925 PolarHBondContact O-N 3.47Å; Q922-S925 VanDerWaalsContact O-N 3.09Å; L923-S925 VanDerWaalsContact C-N 3.33Å; L923-S925 PolarHBondContact O-N 3.15Å; S925-E927 VanDerWaalsContact C-N 3.32Å; S925-E927 PolarHBondContact O-N 2.94Å; S925-K928 PolarHBondContact O-N 3.46Å; S925-S929 PolarHBondContact O-N 2.93Å; S925-S929 PolarHBondContact O-OG 3.05Å
926L87.3Confident78.6Confident0 Ų041.1 Ų41.10%024%0.238CC..Hα-helixtrans-58.6-44.7173.4-175.167.9000111.3T804 L903 A905 L921 Q922 L923 K928 S929 L930 L950 I962 L965T804-L926 HydrophobicContact CG2-CD1 4.03Å; L903-L926 HydrophobicContact CD1-CD1 4.16Å; A905-L926 HydrophobicContact CB-CB 3.97Å; A905-L926 HydrophobicContact CB-CD1 4.03Å; L921-L926 HydrophobicContact CD2-CD2 4.1Å; Q922-L926 PolarHBondContact O-N 2.91Å; L923-L926 PolarHBondContact O-N 3.11Å; L926-K928 VanDerWaalsContact C-N 3.35Å; L926-K928 PolarHBondContact O-N 3.36Å; L926-S929 WeakPolarHBondContact CA-OG 3.31Å; L926-S929 PolarHBondContact O-N 2.85Å; L926-S929 PolarHBondContact O-OG 2.93Å; L926-L930 HydrophobicContact CD1-CD1 4.45Å; L926-L930 HydrophobicContact CD1-CG 4.38Å; L926-L930 HydrophobicContact CD2-CD1 4.48Å; L926-L930 HydrophobicContact CG-CD1 3.99Å; L926-L930 HydrophobicContact CG-CG 4.32Å; L926-L930 WeakPolarHBondContact O-CB 3.45Å; L926-L930 WeakPolarHBondContact O-CG 3.42Å; L926-L930 PolarHBondContact O-N 3.24Å; L926-L950 HydrophobicContact CD1-CD1 4.38Å; L926-I962 HydrophobicContact CD2-CG1 4.2Å; L926-I962 HydrophobicContact CD2-CG2 4.19Å; L926-L965 HydrophobicContact CD2-CD1 4.26Å
927E87Confident80Confident59 Ų5937.7 Ų37.728%0.27620%0.201SC..Hα-helixtrans-55.9-46.5177.3-174165.8-159.600112.2L923 S925 L930 C931 L965 K968 H969L923-E927 PolarHBondContact O-N 2.94Å; S925-E927 VanDerWaalsContact C-N 3.32Å; S925-E927 PolarHBondContact O-N 2.94Å; E927-L930 PolarHBondContact O-N 2.64Å; E927-C931 PolarHBondContact O-N 3.43Å; E927-L965 HydrophobicContact CB-CD2 4.04Å; E927-L965 HydrophobicContact CG-CD2 3.9Å; E927-K968 IonicContact OE1-NZ 3.07Å; E927-K968 PolarHBondContact OE1-NZ 3.32Å; E927-H969 WeakPolarHBondContact CG-NE2 3.48Å; E927-H969 IonicContact OE1-CE1 2.92Å; E927-H969 IonicContact OE1-NE2 3.33Å; E927-H969 PolarHBondContact OE1-NE2 3.34Å
928K84.5Confident81.2Confident68 Ų6834.9 Ų34.930%0.29620%0.197SC..Hα-helixtrans-62.8-43.8177-66.6-174.7-175.2-141.50112.4E726 G844 N924 S925 L926 L930 C931 A932E726-K928 WeakPolarHBondContact OE1-CE 3.47Å; E726-K928 IonicContact OE1-NZ 2.72Å; E726-K928 PolarHBondContact OE1-NZ 3.43Å; E726-K928 IonicContact OE2-NZ 2.81Å; G844-K928 CarbonylContact O-C 3.57Å; N924-K928 PolarHBondContact O-N 2.91Å; S925-K928 PolarHBondContact O-N 3.46Å; L926-K928 VanDerWaalsContact C-N 3.35Å; L926-K928 PolarHBondContact O-N 3.36Å; K928-L930 PolarHBondContact O-N 2.68Å; K928-C931 PolarHBondContact O-N 3.26Å; K928-A932 PolarHBondContact O-N 3.05Å; K928-A932 VanDerWaalsContact O-N 3.08Å
929S87Confident82.1Confident0 Ų037.4 Ų37.40%019%0.194CC..Hα-helixtrans-66.6-36.1179.7690000112.7G844 S925 L926 A932 L933G844-S929 VanDerWaalsContact O-CA 3.28Å; G844-S929 WeakPolarHBondContact O-CA 3.32Å; G844-S929 PolarHBondContact O-N 3.04Å; S925-S929 PolarHBondContact O-N 2.93Å; S925-S929 PolarHBondContact O-OG 3.05Å; L926-S929 WeakPolarHBondContact CA-OG 3.31Å; L926-S929 PolarHBondContact O-N 2.85Å; L926-S929 PolarHBondContact O-OG 2.93Å; S929-A932 PolarHBondContact O-N 2.72Å; S929-L933 WeakPolarHBondContact O-CB 3.45Å; S929-L933 PolarHBondContact O-N 3.36Å
930L88.7Confident82.4Confident2 Ų236.3 Ų36.31%0.0119%0.187CC..Hα-helixtrans-69.8-37175.9-73.9175.1000112.2L903 L926 E927 K928 L933 G934 L965 L966 H969 L970L903-L930 HydrophobicContact CD1-CD2 3.93Å; L926-L930 HydrophobicContact CD1-CD1 4.45Å; L926-L930 HydrophobicContact CD1-CG 4.38Å; L926-L930 HydrophobicContact CD2-CD1 4.48Å; L926-L930 HydrophobicContact CG-CD1 3.99Å; L926-L930 HydrophobicContact CG-CG 4.32Å; L926-L930 WeakPolarHBondContact O-CB 3.45Å; L926-L930 WeakPolarHBondContact O-CG 3.42Å; L926-L930 PolarHBondContact O-N 3.24Å; E927-L930 PolarHBondContact O-N 2.64Å; K928-L930 PolarHBondContact O-N 2.68Å; L930-L933 HydrophobicContact CD2-CD2 4.44Å; L930-L933 PolarHBondContact O-N 2.85Å; L930-G934 PolarHBondContact O-N 3.21Å; L930-L965 HydrophobicContact CD1-CB 3.91Å; L930-L966 HydrophobicContact CD1-CD2 4.13Å; L930-L966 HydrophobicContact CD2-CD2 3.72Å; L930-H969 HydrophobicContact CB-CB 4.26Å; L930-L970 HydrophobicContact CD2-CD1 4.25Å
931C86.2Confident82Confident16 Ų1639 Ų3911%0.10819%0.193CC..Hα-helixtrans-62.2-45.4173-176.90000111.1E927 K928 L933 G934 M935E927-C931 PolarHBondContact O-N 3.43Å; K928-C931 PolarHBondContact O-N 3.26Å; C931-L933 PolarHBondContact O-N 2.9Å; C931-G934 PolarHBondContact O-N 2.78Å; C931-M935 WeakPolarHBondContact O-CG 3.28Å; C931-M935 PolarHBondContact O-N 2.9Å
932A84.2Confident81.5Confident3 Ų341.5 Ų41.53%0.02521%0.213CC..Hα-helixtrans-61.7-42.1175.300000112.6F718 C846 K928 S929 M935 A936F718-A932 WeakPolarHBondContact CD2-O 3.4Å; C846-A932 HydrophobicContact CB-CB 3.9Å; K928-A932 PolarHBondContact O-N 3.05Å; K928-A932 VanDerWaalsContact O-N 3.08Å; S929-A932 PolarHBondContact O-N 2.72Å; A932-M935 PolarHBondContact O-N 3.39Å; A932-A936 PolarHBondContact O-N 3.36Å; A932-A936 VanDerWaalsContact O-N 3.12Å
933L87.5Confident81.1Confident1 Ų138.9 Ų38.91%0.00520%0.203CC..Hα-helixtrans-61.4-45.4174.2-178.567.1000111.6F800 C802 L903 S929 L930 C931 M935 A936 C937 I945 L970F800-L933 HydrophobicContact CD1-CD1 4.22Å; C802-L933 HydrophobicContact CB-CD2 4.49Å; L903-L933 HydrophobicContact CD2-CB 4.35Å; L903-L933 HydrophobicContact CD2-CD2 4.35Å; S929-L933 WeakPolarHBondContact O-CB 3.45Å; S929-L933 PolarHBondContact O-N 3.36Å; L930-L933 HydrophobicContact CD2-CD2 4.44Å; L930-L933 PolarHBondContact O-N 2.85Å; C931-L933 PolarHBondContact O-N 2.9Å; L933-M935 PolarHBondContact O-N 2.97Å; L933-A936 WeakPolarHBondContact O-CB 3.37Å; L933-A936 PolarHBondContact O-N 2.67Å; L933-A936 VanDerWaalsContact O-N 3.15Å; L933-C937 WeakPolarHBondContact O-CB 3.43Å; L933-C937 PolarHBondContact O-N 2.86Å; L933-C937 PolarHBondContact O-SG 3.41Å; L933-C937 VanDerWaalsContact O-SG 3.35Å; L933-I945 HydrophobicContact CD2-CD1 4.05Å; L933-I945 HydrophobicContact CG-CD1 4.31Å; L933-L970 HydrophobicContact CD2-CD2 4.42Å
934G84.4Confident81.1Confident0 Ų036.6 Ų36.60%019%0.193CC..Hα-helixtrans-57.3-47.2177.100000112.9L930 C931 A936 C937 A938 H974L930-G934 PolarHBondContact O-N 3.21Å; C931-G934 PolarHBondContact O-N 2.78Å; G934-A936 VanDerWaalsContact C-N 3.29Å; G934-A936 PolarHBondContact O-N 2.84Å; G934-C937 PolarHBondContact O-N 2.83Å; G934-A938 WeakPolarHBondContact O-CB 3.37Å; G934-A938 PolarHBondContact O-N 3.04Å; G934-H974 VanDerWaalsContact C-NE2 3.35Å; G934-H974 WeakPolarHBondContact CA-CD2 3.17Å
935M81.9Confident81.2Confident34 Ų3430.6 Ų30.617%0.16716%0.161CC..Hα-helixtrans-63.2-32.2175.9-70.8-171.5-7200113.4F718 C931 A932 L933F718-M935 HydrophobicContact CB-CE 3.7Å; F718-M935 HydrophobicContact CD2-CB 3.69Å; F718-M935 HydrophobicContact CD2-CE 4.06Å; F718-M935 HydrophobicContact CE2-CB 3.69Å; F718-M935 HydrophobicContact CG-CB 4.41Å; F718-M935 HydrophobicContact CG-CE 3.98Å; F718-M935 HydrophobicContact CZ-CB 4.47Å; C931-M935 WeakPolarHBondContact O-CG 3.28Å; C931-M935 PolarHBondContact O-N 2.9Å; A932-M935 PolarHBondContact O-N 3.39Å; L933-M935 PolarHBondContact O-N 2.97Å
936A81.3Confident81.4Confident0 Ų030.4 Ų30.40%016%0.158CC..Hα-helixtrans-71.5-46.4175.900000111F718 I848 F870 A932 L933 G934 A938 R939F718-A936 HydrophobicContact CE2-CB 3.93Å; I848-A936 HydrophobicContact CD1-CB 3.3Å; F870-A936 HydrophobicContact CE1-CB 3.82Å; F870-A936 HydrophobicContact CZ-CB 3.88Å; A932-A936 PolarHBondContact O-N 3.36Å; A932-A936 VanDerWaalsContact O-N 3.12Å; L933-A936 WeakPolarHBondContact O-CB 3.37Å; L933-A936 PolarHBondContact O-N 2.67Å; L933-A936 VanDerWaalsContact O-N 3.15Å; G934-A936 VanDerWaalsContact C-N 3.29Å; G934-A936 PolarHBondContact O-N 2.84Å; A936-A938 PolarHBondContact O-N 3.43Å; A936-R939 PolarHBondContact O-N 2.79Å
937C82Confident81.4Confident2 Ų230.5 Ų30.51%0.01416%0.159CC..Hα-helixtrans-63.3-38.8178-71.90000112.5L933 G934 R939 L940 C943 I976L933-C937 WeakPolarHBondContact O-CB 3.43Å; L933-C937 PolarHBondContact O-N 2.86Å; L933-C937 PolarHBondContact O-SG 3.41Å; L933-C937 VanDerWaalsContact O-SG 3.35Å; G934-C937 PolarHBondContact O-N 2.83Å; C937-R939 VanDerWaalsContact C-N 3.25Å; C937-R939 PolarHBondContact O-N 2.69Å; C937-L940 PolarHBondContact O-N 3.15Å; C937-C943 WeakPolarHBondContact CB-SG 3.45Å; C937-C943 VanDerWaalsContact SG-SG 3.67Å; C937-I976 HydrophobicContact CB-CD1 3.25Å; C937-I976 HydrophobicContact CB-CG1 4.16Å
938A76.1Confident81.3Confident50 Ų5029 Ų2941%0.41315%0.154SC..Hα-helixtrans-59.5-34.3176.700000112.7G934 A936 L940 K941G934-A938 WeakPolarHBondContact O-CB 3.37Å; G934-A938 PolarHBondContact O-N 3.04Å; A936-A938 PolarHBondContact O-N 3.43Å; A938-L940 VanDerWaalsContact C-N 3.26Å; A938-L940 PolarHBondContact O-N 3.3Å; A938-K941 PolarHBondContact O-N 3.27Å
939R76.5Confident80.9Confident111 Ų11130 Ų3042%0.41916%0.156SC..Hα-helixtrans-69.4-19.8176.3-74.2-176.6169.587.3-14113.5E721 L874 A936 C937E721-R939 IonicContact OE2-NH2 2.65Å; L874-R939 HydrophobicContact CD2-CB 4.16Å; A936-R939 PolarHBondContact O-N 2.79Å; C937-R939 VanDerWaalsContact C-N 3.25Å; C937-R939 PolarHBondContact O-N 2.69Å
940L71.6Confident80.4Confident4 Ų430.3 Ų30.32%0.02116%0.158CC..THydrogen-bonded Turntrans-87.6-2.6179.9-45.2-158.2000114.1F800 F870 L874 W895 F899 C937 A938 S942F800-L940 HydrophobicContact CE2-CD1 3.5Å; F800-L940 HydrophobicContact CE2-CG 4.37Å; F800-L940 HydrophobicContact CZ-CD1 3.67Å; F800-L940 HydrophobicContact CZ-CG 4.48Å; F870-L940 HydrophobicContact CE2-CD1 4.24Å; F870-L940 HydrophobicContact CE2-CD2 3.72Å; F870-L940 HydrophobicContact CE2-CG 4.43Å; F870-L940 HydrophobicContact CZ-CD2 3.44Å; F870-L940 VanDerWaalsContact CZ-CD2 3.44Å; F870-L940 HydrophobicContact CZ-CG 4.27Å; L874-L940 HydrophobicContact CD2-CD2 4.11Å; W895-L940 HydrophobicContact CE3-CB 4.26Å; W895-L940 HydrophobicContact CE3-CD1 3.94Å; W895-L940 HydrophobicContact CE3-CD2 4.31Å; W895-L940 HydrophobicContact CE3-CG 4.36Å; W895-L940 HydrophobicContact CH2-CB 3.8Å; W895-L940 HydrophobicContact CH2-CD1 4.4Å; W895-L940 HydrophobicContact CH2-CD2 3.33Å; W895-L940 HydrophobicContact CH2-CG 3.97Å; W895-L940 HydrophobicContact CZ2-CB 4.33Å; W895-L940 HydrophobicContact CZ3-CB 3.74Å; W895-L940 HydrophobicContact CZ3-CD1 3.55Å; W895-L940 HydrophobicContact CZ3-CD2 3.17Å; W895-L940 HydrophobicContact CZ3-CG 3.61Å; F899-L940 HydrophobicContact CD2-CD1 4.21Å; F899-L940 HydrophobicContact CE2-CD1 3.93Å; C937-L940 PolarHBondContact O-N 3.15Å; A938-L940 VanDerWaalsContact C-N 3.26Å; A938-L940 PolarHBondContact O-N 3.3Å; L940-S942 PolarHBondContact O-N 3.37Å
941K64.7Low79.3Confident160 Ų16031 Ų3170%0.69616%0.164SC*.SBendtrans58.8-32.6-176.2-62.4-177.6-179.5177.80116.6H892 A938H892-K941 PolarHBondContact NE2-NZ 3.48Å; H892-K941 VanDerWaalsContact NE2-NZ 3.12Å; A938-K941 PolarHBondContact O-N 3.27Å
942S65.3Low78.1Confident81 Ų8136.8 Ų36.857%0.56619%0.19SC*.SBendtrans-150.6103-178.8-67.60000111P798 L940P798-S942 WeakPolarHBondContact CD-O 3.33Å; P798-S942 WeakPolarHBondContact CG-O 3.34Å; L940-S942 PolarHBondContact O-N 3.37Å
943C76.2Confident76.8Confident21 Ų2139.8 Ų39.814%0.14222%0.221CC..  trans-146.9161.8174.266.20000111.9P798 F800 C937P798-C943 HydrophobicContact CG-CB 4.47Å; P798-C943 VanDerWaalsContact O-CA 3.23Å; P798-C943 WeakPolarHBondContact O-CA 3.32Å; P798-C943 WeakPolarHBondContact O-CB 3.39Å; F800-C943 HydrophobicContact CD2-CB 4.15Å; F800-C943 HydrophobicContact CE2-CB 4.13Å; C937-C943 WeakPolarHBondContact CB-SG 3.45Å; C937-C943 VanDerWaalsContact SG-SG 3.67Å
944S81.7Confident75.4Confident18 Ų1840.9 Ų40.913%0.12623%0.227CC..EExtended strand (participates in β ladder)trans-119.7143.4172.2560000110.7P798 Y799 F800 H946P798-S944 PolarHBondContact O-N 3.39Å; Y799-S944 CarbonylContact C-O 3.57Å; Y799-S944 VanDerWaalsContact CA-O 3.29Å; Y799-S944 WeakPolarHBondContact CA-O 3.48Å; Y799-S944 WeakPolarHBondContact CB-O 3.46Å; Y799-S944 WeakPolarHBondContact CB-OG 3.36Å; F800-S944 PolarHBondContact N-O 2.83Å; S944-H946 PolarHBondContact OG-NE2 2.75Å
945I86.8Confident73.8Confident0 Ų047 Ų470%026%0.256CS..EExtended strand (participates in β ladder)trans-103.6133.9178.4-66.4169000108.7F800 L933 I947 L970 I976 S977 V978 Y979F800-I945 HydrophobicContact CB-CG1 4.26Å; F800-I945 CarbonylContact O-C 3.58Å; L933-I945 HydrophobicContact CD2-CD1 4.05Å; L933-I945 HydrophobicContact CG-CD1 4.31Å; I945-I947 HydrophobicContact CG2-CG2 3.98Å; I945-L970 HydrophobicContact CD1-CD1 3.71Å; I945-L970 HydrophobicContact CD1-CD2 3.71Å; I945-L970 HydrophobicContact CD1-CG 4.17Å; I945-I976 HydrophobicContact CD1-CD1 4.38Å; I945-I976 HydrophobicContact CD1-CG2 3.68Å; I945-I976 HydrophobicContact CG1-CG2 3.86Å; I945-S977 PolarHBondContact N-O 3.28Å; I945-V978 HydrophobicContact CB-CG2 4.44Å; I945-V978 HydrophobicContact CG2-CG1 4.42Å; I945-V978 CarbonylContact O-C 3.58Å; I945-V978 WeakPolarHBondContact O-CA 3.5Å; I945-Y979 PolarHBondContact O-N 3.25Å
946H88.2Confident72.5Confident8 Ų850.3 Ų50.34%0.03729%0.289CS..EExtended strand (participates in β ladder)trans-124.2117.5-179.1-62.6-95.8000108.4P780 F800 V801 C802 S944 Y979 Y981P780-H946 HydrophobicContact CB-CB 4.35Å; P780-H946 WeakPolarHBondContact CB-ND1 3.25Å; F800-H946 PolarHBondContact O-N 3.49Å; V801-H946 CarbonylContact C-O 3.57Å; V801-H946 WeakPolarHBondContact CA-O 3.45Å; C802-H946 PolarHBondContact N-O 3.35Å; S944-H946 PolarHBondContact OG-NE2 2.75Å; H946-Y979 WeakPolarHBondContact CA-O 3.45Å; H946-Y979 AromaticContact CE1-CD2 3.5Å; H946-Y979 AromaticContact CE1-CG 3.83Å; H946-Y979 AromaticContact ND1-CD2 3.95Å; H946-Y979 AromaticContact ND1-CG 3.92Å; H946-Y979 AromaticContact NE2-CD2 3.92Å; H946-Y981 HydrophobicContact CB-CD2 4.38Å; H946-Y981 HydrophobicContact CB-CE2 3.65Å; H946-Y981 PolarHBondContact CE1-OH 3.06Å; H946-Y981 AromaticContact CG-CE2 3.86Å; H946-Y981 AromaticContact ND1-CE2 3.3Å; H946-Y981 VanDerWaalsContact ND1-CE2 3.3Å; H946-Y981 WeakPolarHBondContact ND1-CE2 3.5Å; H946-Y981 AromaticContact ND1-CZ 3.45Å; H946-Y981 PolarHBondContact ND1-OH 3.45Å
947I87.6Confident71.4Confident3 Ų353 Ų532%0.01530%0.301CS..EExtended strand (participates in β ladder)trans-131.3144.4-174.848168.8000111.5C802 I945 L966 V978 Y979 V980 Y981C802-I947 HydrophobicContact CB-CG2 3.48Å; C802-I947 VanDerWaalsContact CB-CG2 3.48Å; I945-I947 HydrophobicContact CG2-CG2 3.98Å; I947-L966 HydrophobicContact CD1-CD1 3.42Å; I947-L966 VanDerWaalsContact CD1-CD1 3.42Å; I947-L966 HydrophobicContact CD1-CD2 3.83Å; I947-L966 HydrophobicContact CD1-CG 4.3Å; I947-V978 HydrophobicContact CD1-CG1 3.87Å; I947-V978 HydrophobicContact CG1-CG1 4.05Å; I947-Y979 PolarHBondContact N-O 3.44Å; I947-V980 HydrophobicContact CD1-CG2 3.96Å; I947-V980 HydrophobicContact CG1-CG2 4.03Å; I947-V980 CarbonylContact O-C 3.54Å; I947-V980 WeakPolarHBondContact O-CA 3.32Å; I947-Y981 PolarHBondContact O-N 2.83Å
948P84.1Confident70.7Confident26 Ų2655.6 Ų55.617%0.16932%0.316CS..EExtended strand (participates in β ladder)trans-72.6163.7163.135-35.3000109.9A777 C802 I816 L950A777-P948 HydrophobicContact CB-CB 4.3Å; C802-P948 WeakPolarHBondContact O-CD 3.44Å; I816-P948 HydrophobicContact CD1-CB 4.21Å; I816-P948 HydrophobicContact CD1-CG 3.67Å; P948-L950 HydrophobicContact CG-CD2 4.33Å; P948-L950 PolarHBondContact O-N 3.37Å
949R77.5Confident70.8Confident91 Ų9153.6 Ų53.634%0.34330%0.298SS..  trans-63.6103170.1-163.7172.8-170.8-166.515.8110.7E324 W959 Y981E324-R949 IonicContact OE1-NH2 3.84Å; E324-R949 PolarHBondContact OE1-NH2 3.3Å; R949-W959 HydrophobicContact CG-CD2 3.97Å; R949-W959 HydrophobicContact CG-CE3 3.7Å; R949-W959 HydrophobicContact CG-CH2 4.3Å; R949-W959 HydrophobicContact CG-CZ3 3.88Å; R949-Y981 PolarHBondContact N-O 3.03Å
950L77.1Confident70.6Confident6 Ų651.3 Ų51.33%0.03129%0.29CS..THydrogen-bonded Turntrans-66.3146.2-179.2-57.3178.5000111.1T804 L926 P948 H952 F957 W959 I962T804-L950 HydrophobicContact CG2-CD1 3.91Å; T804-L950 HydrophobicContact CG2-CD2 3.77Å; T804-L950 HydrophobicContact CG2-CG 4.33Å; L926-L950 HydrophobicContact CD1-CD1 4.38Å; P948-L950 HydrophobicContact CG-CD2 4.33Å; P948-L950 PolarHBondContact O-N 3.37Å; L950-H952 VanDerWaalsContact C-N 3.33Å; L950-H952 PolarHBondContact O-N 2.95Å; L950-F957 WeakPolarHBondContact O-CE2 3.32Å; L950-F957 VanDerWaalsContact O-CZ 3.28Å; L950-F957 WeakPolarHBondContact O-CZ 3.46Å; L950-W959 HydrophobicContact CB-CZ3 4.25Å; L950-I962 HydrophobicContact CB-CD1 4.1Å; L950-I962 HydrophobicContact CB-CG2 4.46Å; L950-I962 HydrophobicContact CD1-CG2 4.19Å
951G65Low70.9Confident15 Ų1556.5 Ų56.516%0.15531%0.313CS..THydrogen-bonded Turntrans76.45.9170.800000116.7G953 T954 F957G951-G953 PolarHBondContact O-N 2.66Å; G951-T954 PolarHBondContact O-N 3.23Å; G951-T954 PolarHBondContact O-OG1 3.44Å; G951-F957 VanDerWaalsContact C-CD2 3.44Å; G951-F957 VanDerWaalsContact C-CE2 3.5Å; G951-F957 WeakPolarHBondContact O-CD2 3.32Å; G951-F957 VanDerWaalsContact O-CG 3.24Å; G951-F957 WeakPolarHBondContact O-CG 3.29Å
952H61.3Low71.8Confident139 Ų13949.1 Ų49.164%0.64428%0.28SS*.THydrogen-bonded Turntrans-63.6102.6177.6-153.8-74.2000110.6L950L950-H952 VanDerWaalsContact C-N 3.33Å; L950-H952 PolarHBondContact O-N 2.95Å
953G55.7Low72.6Confident65 Ų6545.2 Ų45.267%0.6725%0.254SS*.THydrogen-bonded Turntrans118.1-0.2178.900000116.5G951G951-G953 PolarHBondContact O-N 2.66Å
954T59.6Low72.9Confident24 Ų2448.4 Ų48.415%0.14726%0.263CS..  trans-85.8140.1173.553.30000112A918 G951 A956 F957A918-T954 HydrophobicContact CB-CG2 4.39Å; G951-T954 PolarHBondContact O-N 3.23Å; G951-T954 PolarHBondContact O-OG1 3.44Å; T954-A956 PolarHBondContact O-N 3Å; T954-F957 VanDerWaalsContact O-CB 3.3Å; T954-F957 WeakPolarHBondContact O-CB 3.45Å; T954-F957 PolarHBondContact O-N 3.25Å
955Q49.9Very low73Confident128 Ų12848.6 Ų48.660%0.59826%0.262SS*.THydrogen-bonded Turntrans-68.1125.3172.4-65.4-175.36.200107.9
956A54.7Low73Confident104 Ų10448.7 Ų48.786%0.8626%0.262SS*.THydrogen-bonded Turntrans85.215.4-168.900000117.5T954 T958T954-A956 PolarHBondContact O-N 3Å; A956-T958 PolarHBondContact O-N 2.9Å
957F58.9Low72.8Confident57 Ų5750.3 Ų50.325%0.2527%0.268CS..  trans-61.9124172.2178-115.2000113.7L950 G951 T954 W959 I962L950-F957 WeakPolarHBondContact O-CE2 3.32Å; L950-F957 VanDerWaalsContact O-CZ 3.28Å; L950-F957 WeakPolarHBondContact O-CZ 3.46Å; G951-F957 VanDerWaalsContact C-CD2 3.44Å; G951-F957 VanDerWaalsContact C-CE2 3.5Å; G951-F957 WeakPolarHBondContact O-CD2 3.32Å; G951-F957 VanDerWaalsContact O-CG 3.24Å; G951-F957 WeakPolarHBondContact O-CG 3.29Å; T954-F957 VanDerWaalsContact O-CB 3.3Å; T954-F957 WeakPolarHBondContact O-CB 3.45Å; T954-F957 PolarHBondContact O-N 3.25Å; F957-W959 HydrophobicContact CE1-CB 3.92Å; F957-W959 HydrophobicContact CE2-CB 4.26Å; F957-W959 HydrophobicContact CE2-CE3 4.45Å; F957-W959 HydrophobicContact CZ-CB 3.53Å; F957-W959 HydrophobicContact CZ-CE3 4.13Å; F957-W959 HydrophobicContact CZ-CG 4.36Å; F957-I962 HydrophobicContact CD2-CD1 4.45Å; F957-I962 HydrophobicContact CE2-CD1 3.84Å
958T67.2Low72.5Confident56 Ų5654.1 Ų54.134%0.34429%0.285SS..  trans-131.297.5162.153.90000109.9A956 Y960 K961A956-T958 PolarHBondContact O-N 2.9Å; T958-Y960 PolarHBondContact O-N 3.29Å; T958-K961 PolarHBondContact O-N 3.26Å; T958-K961 WeakPolarHBondContact OG1-CD 3.45Å; T958-K961 WeakPolarHBondContact OG1-CG 3.42Å
959W78.1Confident72.5Confident8 Ų853.5 Ų53.53%0.0328%0.279CS..Hα-helixtrans-44.7-38.4174.6178.8-117.1000112.6F326 Y772 R949 L950 F957 K961 I962 E963 L966 V980F326-W959 AromaticContact CE2-CD1 3.9Å; Y772-W959 HydrophobicContact CE1-CZ2 4.12Å; Y772-W959 AromaticContact CE1-NE1 3.94Å; Y772-W959 AromaticContact CZ-NE1 3.9Å; Y772-W959 PolarHBondContact OH-NE1 2.85Å; R949-W959 HydrophobicContact CG-CD2 3.97Å; R949-W959 HydrophobicContact CG-CE3 3.7Å; R949-W959 HydrophobicContact CG-CH2 4.3Å; R949-W959 HydrophobicContact CG-CZ3 3.88Å; L950-W959 HydrophobicContact CB-CZ3 4.25Å; F957-W959 HydrophobicContact CE1-CB 3.92Å; F957-W959 HydrophobicContact CE2-CB 4.26Å; F957-W959 HydrophobicContact CE2-CE3 4.45Å; F957-W959 HydrophobicContact CZ-CB 3.53Å; F957-W959 HydrophobicContact CZ-CE3 4.13Å; F957-W959 HydrophobicContact CZ-CG 4.36Å; W959-K961 VanDerWaalsContact C-N 3.26Å; W959-K961 PolarHBondContact O-N 2.91Å; W959-K961 VanDerWaalsContact O-N 3.16Å; W959-I962 HydrophobicContact CE3-CB 4.12Å; W959-I962 HydrophobicContact CE3-CD1 4.33Å; W959-I962 HydrophobicContact CE3-CG2 4.16Å; W959-I962 HydrophobicContact CH2-CG2 4.43Å; W959-I962 HydrophobicContact CZ3-CB 4.27Å; W959-I962 HydrophobicContact CZ3-CG2 3.79Å; W959-I962 CarbonylContact O-C 3.54Å; W959-I962 WeakPolarHBondContact O-CA 3.31Å; W959-I962 WeakPolarHBondContact O-CB 3.39Å; W959-I962 PolarHBondContact O-N 3.48Å; W959-E963 PolarHBondContact NE1-OE2 3.22Å; W959-E963 PolarHBondContact O-N 3.08Å; W959-L966 HydrophobicContact CH2-CD1 4.07Å; W959-V980 HydrophobicContact CH2-CG1 3.77Å; W959-V980 HydrophobicContact CH2-CG2 4.24Å; W959-V980 HydrophobicContact CZ2-CB 4.44Å; W959-V980 HydrophobicContact CZ2-CG1 3.67Å; W959-V980 HydrophobicContact CZ2-CG2 4.02Å
960Y71.8Confident72.9Confident63 Ų6349.1 Ų49.125%0.24726%0.263CS..Hα-helixtrans-44.8-45.1173.7-173.4-96000114.5E322 F326 D387 T958 R964E322-Y960 WeakPolarHBondContact OE2-CE2 3.33Å; F326-Y960 HydrophobicContact CB-CD2 3.92Å; F326-Y960 HydrophobicContact CB-CE2 3.64Å; F326-Y960 AromaticContact CD1-CD2 3.75Å; F326-Y960 HydrophobicContact CD1-CD2 3.75Å; F326-Y960 AromaticContact CD1-CE2 3.93Å; F326-Y960 HydrophobicContact CD1-CE2 3.93Å; F326-Y960 AromaticContact CD2-CD2 3.29Å; F326-Y960 HydrophobicContact CD2-CD2 3.29Å; F326-Y960 AromaticContact CD2-CE2 3.95Å; F326-Y960 HydrophobicContact CD2-CE2 3.95Å; F326-Y960 HydrophobicContact CD2-CG 4.06Å; F326-Y960 HydrophobicContact CE1-CD2 4.08Å; F326-Y960 AromaticContact CE2-CD2 3.68Å; F326-Y960 HydrophobicContact CE2-CD2 3.68Å; F326-Y960 HydrophobicContact CE2-CG 4.28Å; F326-Y960 AromaticContact CG-CD2 3.35Å; F326-Y960 HydrophobicContact CG-CD2 3.35Å; F326-Y960 AromaticContact CG-CE2 3.55Å; F326-Y960 HydrophobicContact CG-CE2 3.55Å; F326-Y960 HydrophobicContact CG-CG 4.47Å; F326-Y960 HydrophobicContact CZ-CD2 4.05Å; D387-Y960 PolarHBondContact OD2-OH 3.17Å; T958-Y960 PolarHBondContact O-N 3.29Å; Y960-R964 VanDerWaalsContact CE1-CD 3.41Å; Y960-R964 HydrophobicContact CE1-CG 4.44Å; Y960-R964 WeakPolarHBondContact O-CG 3.47Å; Y960-R964 PolarHBondContact O-N 3.11Å; Y960-R964 VanDerWaalsContact O-N 3.11Å; Y960-R964 PolarHBondContact OH-NH1 3.23Å
961K78.1Confident73.2Confident114 Ų11449.2 Ų49.250%0.49626%0.264SS..Hα-helixtrans-69.2-38.5178.6-70.2-176.5-178177.20111.9L923 T958 W959 L965L923-K961 HydrophobicContact CD1-CD 3.98Å; L923-K961 HydrophobicContact CD2-CB 3.99Å; T958-K961 PolarHBondContact O-N 3.26Å; T958-K961 WeakPolarHBondContact OG1-CD 3.45Å; T958-K961 WeakPolarHBondContact OG1-CG 3.42Å; W959-K961 VanDerWaalsContact C-N 3.26Å; W959-K961 PolarHBondContact O-N 2.91Å; W959-K961 VanDerWaalsContact O-N 3.16Å; K961-L965 WeakPolarHBondContact O-CG 3.04Å; K961-L965 PolarHBondContact O-N 3.11Å; K961-L965 VanDerWaalsContact O-N 3.15Å
962I83.3Confident73.8Confident4 Ų453 Ų532%0.02128%0.281CS..Hα-helixtrans-69-44.5179.4-60.7178.5000110.1L921 L926 L950 F957 W959 R964 L965 L966L921-I962 HydrophobicContact CD2-CD1 3.56Å; L921-I962 HydrophobicContact CD2-CG1 4.33Å; L926-I962 HydrophobicContact CD2-CG1 4.2Å; L926-I962 HydrophobicContact CD2-CG2 4.19Å; L950-I962 HydrophobicContact CB-CD1 4.1Å; L950-I962 HydrophobicContact CB-CG2 4.46Å; L950-I962 HydrophobicContact CD1-CG2 4.19Å; F957-I962 HydrophobicContact CD2-CD1 4.45Å; F957-I962 HydrophobicContact CE2-CD1 3.84Å; W959-I962 HydrophobicContact CE3-CB 4.12Å; W959-I962 HydrophobicContact CE3-CD1 4.33Å; W959-I962 HydrophobicContact CE3-CG2 4.16Å; W959-I962 HydrophobicContact CH2-CG2 4.43Å; W959-I962 HydrophobicContact CZ3-CB 4.27Å; W959-I962 HydrophobicContact CZ3-CG2 3.79Å; W959-I962 CarbonylContact O-C 3.54Å; W959-I962 WeakPolarHBondContact O-CA 3.31Å; W959-I962 WeakPolarHBondContact O-CB 3.39Å; W959-I962 PolarHBondContact O-N 3.48Å; I962-R964 VanDerWaalsContact C-N 3.34Å; I962-R964 PolarHBondContact O-N 3.32Å; I962-L965 WeakPolarHBondContact O-CB 3.32Å; I962-L965 PolarHBondContact O-N 2.7Å; I962-L965 VanDerWaalsContact O-N 3.12Å; I962-L966 HydrophobicContact CG2-CD1 4.14Å; I962-L966 HydrophobicContact CG2-CG 4.41Å; I962-L966 WeakPolarHBondContact O-CG 3.19Å; I962-L966 PolarHBondContact O-N 2.75Å
963E82.7Confident74.6Confident0 Ų050.2 Ų50.20%027%0.267CS..Hα-helixtrans-61.5-42.1177.6-166.9-173148.500111.8P325 F326 I770 Y772 W959 L965 L966 R967P325-E963 VanDerWaalsContact C-OE1 3.25Å; P325-E963 WeakPolarHBondContact CA-OE1 3.4Å; P325-E963 WeakPolarHBondContact CB-OE1 3.3Å; F326-E963 HydrophobicContact CD2-CB 4.02Å; F326-E963 VanDerWaalsContact CD2-CD 3.49Å; F326-E963 HydrophobicContact CD2-CG 4.32Å; F326-E963 WeakPolarHBondContact CD2-OE2 3.12Å; F326-E963 HydrophobicContact CE2-CB 4.48Å; F326-E963 WeakPolarHBondContact CE2-OE2 3.22Å; F326-E963 PolarHBondContact N-OE1 3.35Å; I770-E963 HydrophobicContact CD1-CG 3.66Å; Y772-E963 PolarHBondContact OH-OE2 3.3Å; W959-E963 PolarHBondContact NE1-OE2 3.22Å; W959-E963 PolarHBondContact O-N 3.08Å; E963-L965 VanDerWaalsContact C-N 3.3Å; E963-L965 PolarHBondContact O-N 3.31Å; E963-L966 WeakPolarHBondContact O-CB 3.38Å; E963-L966 PolarHBondContact O-N 2.76Å; E963-R967 WeakPolarHBondContact O-CB 3.23Å; E963-R967 PolarHBondContact O-N 3.3Å
964R81.2Confident75.7Confident88 Ų8849.9 Ų49.933%0.33225%0.248SC..Hα-helixtrans-61.6-37.3173.9-73.5-178.993.1161.40.6112.2D387 Y960 I962 K968D387-R964 IonicContact OD1-CZ 3.09Å; D387-R964 IonicContact OD1-NH1 2.75Å; D387-R964 PolarHBondContact OD1-NH1 3.03Å; D387-R964 IonicContact OD1-NH2 2.69Å; D387-R964 PolarHBondContact OD1-NH2 3.05Å; D387-R964 IonicContact OD2-CZ 3.66Å; D387-R964 IonicContact OD2-NH1 2.87Å; D387-R964 PolarHBondContact OD2-NH1 3.19Å; D387-R964 IonicContact OD2-NH2 2.68Å; Y960-R964 VanDerWaalsContact CE1-CD 3.41Å; Y960-R964 HydrophobicContact CE1-CG 4.44Å; Y960-R964 WeakPolarHBondContact O-CG 3.47Å; Y960-R964 PolarHBondContact O-N 3.11Å; Y960-R964 VanDerWaalsContact O-N 3.11Å; Y960-R964 PolarHBondContact OH-NH1 3.23Å; I962-R964 VanDerWaalsContact C-N 3.34Å; I962-R964 PolarHBondContact O-N 3.32Å; R964-K968 WeakPolarHBondContact O-CB 3.29Å; R964-K968 PolarHBondContact O-N 3.29Å
965L84.3Confident76.8Confident21 Ų2155.8 Ų55.811%0.1127%0.274CS..Hα-helixtrans-66.4-42.3173.8-72.2172.3000112.2L923 L926 E927 L930 K961 I962 E963 H969L923-L965 HydrophobicContact CD2-CD1 3.86Å; L926-L965 HydrophobicContact CD2-CD1 4.26Å; E927-L965 HydrophobicContact CB-CD2 4.04Å; E927-L965 HydrophobicContact CG-CD2 3.9Å; L930-L965 HydrophobicContact CD1-CB 3.91Å; K961-L965 WeakPolarHBondContact O-CG 3.04Å; K961-L965 PolarHBondContact O-N 3.11Å; K961-L965 VanDerWaalsContact O-N 3.15Å; I962-L965 WeakPolarHBondContact O-CB 3.32Å; I962-L965 PolarHBondContact O-N 2.7Å; I962-L965 VanDerWaalsContact O-N 3.12Å; E963-L965 VanDerWaalsContact C-N 3.3Å; E963-L965 PolarHBondContact O-N 3.31Å; L965-H969 WeakPolarHBondContact O-CB 3.47Å; L965-H969 PolarHBondContact O-CD2 3.39Å; L965-H969 PolarHBondContact O-N 3.17Å
966L86.9Confident78.3Confident2 Ų250.1 Ų50.11%0.0125%0.248CC..Hα-helixtrans-62-46175.5-69.4167.9000111.2I770 L930 I947 W959 I962 E963 L970 V971I770-L966 HydrophobicContact CD1-CB 4.21Å; L930-L966 HydrophobicContact CD1-CD2 4.13Å; L930-L966 HydrophobicContact CD2-CD2 3.72Å; I947-L966 HydrophobicContact CD1-CD1 3.42Å; I947-L966 VanDerWaalsContact CD1-CD1 3.42Å; I947-L966 HydrophobicContact CD1-CD2 3.83Å; I947-L966 HydrophobicContact CD1-CG 4.3Å; W959-L966 HydrophobicContact CH2-CD1 4.07Å; I962-L966 HydrophobicContact CG2-CD1 4.14Å; I962-L966 HydrophobicContact CG2-CG 4.41Å; I962-L966 WeakPolarHBondContact O-CG 3.19Å; I962-L966 PolarHBondContact O-N 2.75Å; E963-L966 WeakPolarHBondContact O-CB 3.38Å; E963-L966 PolarHBondContact O-N 2.76Å; L966-L970 HydrophobicContact CD2-CD1 3.65Å; L966-L970 WeakPolarHBondContact O-CA 3.43Å; L966-L970 VanDerWaalsContact O-CB 3.25Å; L966-L970 WeakPolarHBondContact O-CB 3.32Å; L966-L970 PolarHBondContact O-N 3.31Å; L966-V971 PolarHBondContact O-N 3.12Å
967R83Confident79.6Confident42 Ų4246.3 Ų46.316%0.15822%0.215CC..Iπ-helixtrans-60.7-53.9177.1-179173.9-65.9-72.5-4.6110.8P325 F326 T327 I770 E963 H969 V971 D972P325-R967 VanDerWaalsContact CB-NH2 3.31Å; F326-R967 PolarHBondContact O-NE 3.01Å; T327-R967 VanDerWaalsContact CG2-CZ 3.42Å; T327-R967 VanDerWaalsContact CG2-NH2 3.3Å; I770-R967 HydrophobicContact CD1-CB 4.05Å; E963-R967 WeakPolarHBondContact O-CB 3.23Å; E963-R967 PolarHBondContact O-N 3.3Å; R967-H969 PolarHBondContact O-N 3Å; R967-V971 HydrophobicContact CG-CB 4.47Å; R967-V971 WeakPolarHBondContact O-CB 3.32Å; R967-V971 PolarHBondContact O-N 3.17Å; R967-V971 VanDerWaalsContact O-N 3.11Å; R967-D972 WeakPolarHBondContact CG-OD1 3.21Å; R967-D972 WeakPolarHBondContact CG-OD2 3.3Å; R967-D972 PolarHBondContact O-N 2.91Å
968K82.9Confident80.9Confident83 Ų8343.6 Ų43.636%0.36120%0.203SC..Iπ-helixtrans-53.8-55.7179.6-179.5-176.1173.6-167.10111.3E927 R964 H973E927-K968 IonicContact OE1-NZ 3.07Å; E927-K968 PolarHBondContact OE1-NZ 3.32Å; R964-K968 WeakPolarHBondContact O-CB 3.29Å; R964-K968 PolarHBondContact O-N 3.29Å; K968-H973 WeakPolarHBondContact O-CB 3.23Å; K968-H973 PolarHBondContact O-CD2 2.84Å; K968-H973 PolarHBondContact O-N 3.47Å
969H84.2Confident81.7Confident13 Ų1342.2 Ų42.26%0.0619%0.191CC..Iπ-helixtrans-88-23.8-168.4-71.1-69.6000115.1E927 L930 L965 R967 H974E927-H969 WeakPolarHBondContact CG-NE2 3.48Å; E927-H969 IonicContact OE1-CE1 2.92Å; E927-H969 IonicContact OE1-NE2 3.33Å; E927-H969 PolarHBondContact OE1-NE2 3.34Å; L930-H969 HydrophobicContact CB-CB 4.26Å; L965-H969 WeakPolarHBondContact O-CB 3.47Å; L965-H969 PolarHBondContact O-CD2 3.39Å; L965-H969 PolarHBondContact O-N 3.17Å; R967-H969 PolarHBondContact O-N 3Å; H969-H974 PolarHBondContact O-CD2 3.19Å
970L85.3Confident82.1Confident0 Ų041.9 Ų41.90%019%0.191CC..Iπ-helixtrans-110-45.7-176.9-55.8173.3000112.7L930 L933 I945 L966 H974 H975 I976 V978L930-L970 HydrophobicContact CD2-CD1 4.25Å; L933-L970 HydrophobicContact CD2-CD2 4.42Å; I945-L970 HydrophobicContact CD1-CD1 3.71Å; I945-L970 HydrophobicContact CD1-CD2 3.71Å; I945-L970 HydrophobicContact CD1-CG 4.17Å; L966-L970 HydrophobicContact CD2-CD1 3.65Å; L966-L970 WeakPolarHBondContact O-CA 3.43Å; L966-L970 VanDerWaalsContact O-CB 3.25Å; L966-L970 WeakPolarHBondContact O-CB 3.32Å; L966-L970 PolarHBondContact O-N 3.31Å; L970-H974 CarbonylContact O-C 3.05Å; L970-H975 PolarHBondContact O-N 3.13Å; L970-I976 HydrophobicContact CD2-CD1 4.47Å; L970-I976 PolarHBondContact O-N 3.03Å; L970-V978 HydrophobicContact CB-CG2 3.87Å; L970-V978 HydrophobicContact CD1-CG2 3.76Å; L970-V978 HydrophobicContact CG-CG2 4.5Å
971V82.7Confident82.5Confident7 Ų739.3 Ų39.34%0.04218%0.18CC..Iπ-helixtrans-83-56.3-174.6-1770000110.7A768 I770 L966 R967 H975 V978A768-V971 WeakPolarHBondContact O-CG1 3.38Å; I770-V971 HydrophobicContact CD1-CG2 4.49Å; I770-V971 HydrophobicContact CG1-CG2 3.81Å; L966-V971 PolarHBondContact O-N 3.12Å; R967-V971 HydrophobicContact CG-CB 4.47Å; R967-V971 WeakPolarHBondContact O-CB 3.32Å; R967-V971 PolarHBondContact O-N 3.17Å; R967-V971 VanDerWaalsContact O-N 3.11Å; V971-H975 WeakPolarHBondContact O-CA 3.42Å; V971-H975 PolarHBondContact O-N 3.24Å; V971-V978 HydrophobicContact CG2-CG2 4.17Å
972D79Confident82.2Confident96 Ų9639 Ų3951%0.51318%0.177SC..Iπ-helixtrans-74.8-41-173-60.2-12.6000111.5R967R967-D972 WeakPolarHBondContact CG-OD1 3.21Å; R967-D972 WeakPolarHBondContact CG-OD2 3.3Å; R967-D972 PolarHBondContact O-N 2.91Å
973H77.8Confident80.9Confident79 Ų7947.2 Ų47.237%0.36621%0.209SC..THydrogen-bonded Turntrans-82-32.5-178.4-88.2-53.8000115.1Y730 K968Y730-H973 AromaticContact CE1-CE1 3.34Å; Y730-H973 WeakPolarHBondContact CE1-CE1 3.45Å; Y730-H973 AromaticContact CE1-NE2 3.67Å; Y730-H973 AromaticContact CZ-CE1 4Å; Y730-H973 AromaticContact CZ-NE2 3.95Å; K968-H973 WeakPolarHBondContact O-CB 3.23Å; K968-H973 PolarHBondContact O-CD2 2.84Å; K968-H973 PolarHBondContact O-N 3.47Å
974H78.6Confident78.9Confident58 Ų5852.4 Ų52.427%0.26923%0.229SC..THydrogen-bonded Turntrans-127.51.1-171.1-64-54000114.5G934 H969 L970 I976G934-H974 VanDerWaalsContact C-NE2 3.35Å; G934-H974 WeakPolarHBondContact CA-CD2 3.17Å; H969-H974 PolarHBondContact O-CD2 3.19Å; L970-H974 CarbonylContact O-C 3.05Å; H974-I976 VanDerWaalsContact C-N 3.26Å; H974-I976 HydrophobicContact CB-CD1 3.54Å; H974-I976 HydrophobicContact CB-CG1 3.94Å; H974-I976 PolarHBondContact O-N 3.08Å
975H81.1Confident77Confident149 Ų14951.6 Ų51.669%0.6923%0.234SC*.  trans54.437.5179.7-57.8-65.3000114.2A768 L970 V971A768-H975 HydrophobicContact CB-CB 4.26Å; A768-H975 VanDerWaalsContact CB-O 3.31Å; A768-H975 WeakPolarHBondContact CB-O 3.27Å; L970-H975 PolarHBondContact O-N 3.13Å; V971-H975 WeakPolarHBondContact O-CA 3.42Å; V971-H975 PolarHBondContact O-N 3.24Å
976I81.7Confident74.6Confident9 Ų956.7 Ų56.75%0.04627%0.266CS..  trans-95.3134-179.8-58.8156.7000110.3C937 I945 L970 H974C937-I976 HydrophobicContact CB-CD1 3.25Å; C937-I976 HydrophobicContact CB-CG1 4.16Å; I945-I976 HydrophobicContact CD1-CD1 4.38Å; I945-I976 HydrophobicContact CD1-CG2 3.68Å; I945-I976 HydrophobicContact CG1-CG2 3.86Å; L970-I976 HydrophobicContact CD2-CD1 4.47Å; L970-I976 PolarHBondContact O-N 3.03Å; H974-I976 VanDerWaalsContact C-N 3.26Å; H974-I976 HydrophobicContact CB-CD1 3.54Å; H974-I976 HydrophobicContact CB-CG1 3.94Å; H974-I976 PolarHBondContact O-N 3.08Å
977S82.8Confident72Confident24 Ų2460.8 Ų60.817%0.16829%0.288CS..EExtended strand (participates in β ladder)trans-76.7125.4171.9-68.20000111.5I945I945-S977 PolarHBondContact N-O 3.28Å
978V85.2Confident69.3Low0 Ų063.2 Ų63.20%032%0.317CS..EExtended strand (participates in β ladder)trans-111126.5-178.3-177.20000109.7G769 I770 Y771 I945 I947 L970 V971 V980G769-V978 PolarHBondContact O-N 3.35Å; I770-V978 CarbonylContact C-O 3.53Å; I770-V978 WeakPolarHBondContact CA-O 3.14Å; I770-V978 HydrophobicContact CG1-CB 4.41Å; Y771-V978 PolarHBondContact N-O 3.17Å; I945-V978 HydrophobicContact CB-CG2 4.44Å; I945-V978 HydrophobicContact CG2-CG1 4.42Å; I945-V978 CarbonylContact O-C 3.58Å; I945-V978 WeakPolarHBondContact O-CA 3.5Å; I947-V978 HydrophobicContact CD1-CG1 3.87Å; I947-V978 HydrophobicContact CG1-CG1 4.05Å; L970-V978 HydrophobicContact CB-CG2 3.87Å; L970-V978 HydrophobicContact CD1-CG2 3.76Å; L970-V978 HydrophobicContact CG-CG2 4.5Å; V971-V978 HydrophobicContact CG2-CG2 4.17Å; V978-V980 HydrophobicContact CG1-CG2 4.41Å
979Y85.8Confident66.7Low26 Ų2666.1 Ų66.110%0.10234%0.337CS..EExtended strand (participates in β ladder)trans-108.9116.9177.6-65.8-87.5000110.1Y771 K773 I783 I945 H946 I947Y771-Y979 HydrophobicContact CD2-CD1 4.41Å; Y771-Y979 AromaticContact CD2-CE1 3.99Å; Y771-Y979 HydrophobicContact CD2-CE1 3.99Å; Y771-Y979 HydrophobicContact CG-CD1 4.24Å; Y771-Y979 AromaticContact CG-CE1 3.92Å; Y771-Y979 HydrophobicContact CG-CE1 3.92Å; Y771-Y979 CarbonylContact O-C 3.5Å; Y771-Y979 VanDerWaalsContact O-CA 3.25Å; Y771-Y979 WeakPolarHBondContact O-CA 3.49Å; K773-Y979 HydrophobicContact CD-CD1 3.8Å; K773-Y979 HydrophobicContact CD-CE1 4.38Å; K773-Y979 HydrophobicContact CG-CD1 4.29Å; I783-Y979 HydrophobicContact CD1-CE1 3.97Å; I945-Y979 PolarHBondContact O-N 3.25Å; H946-Y979 WeakPolarHBondContact CA-O 3.45Å; H946-Y979 AromaticContact CE1-CD2 3.5Å; H946-Y979 AromaticContact CE1-CG 3.83Å; H946-Y979 AromaticContact ND1-CD2 3.95Å; H946-Y979 AromaticContact ND1-CG 3.92Å; H946-Y979 AromaticContact NE2-CD2 3.92Å; I947-Y979 PolarHBondContact N-O 3.44Å
980V85Confident64Low2 Ų273.3 Ų73.31%0.01238%0.376CS..EExtended strand (participates in β ladder)trans-101.1118.7179.4-175.60000109.5I770 Y771 Y772 K773 I947 W959 V978I770-V980 HydrophobicContact CG2-CG2 3.74Å; Y771-V980 PolarHBondContact O-N 3.45Å; Y772-V980 CarbonylContact C-O 3.58Å; Y772-V980 WeakPolarHBondContact CA-O 3.4Å; Y772-V980 HydrophobicContact CD1-CB 3.75Å; Y772-V980 HydrophobicContact CD1-CG1 3.97Å; Y772-V980 HydrophobicContact CE1-CB 3.81Å; Y772-V980 HydrophobicContact CE1-CG1 3.82Å; Y772-V980 HydrophobicContact CE1-CG2 4.2Å; K773-V980 PolarHBondContact N-O 3.24Å; I947-V980 HydrophobicContact CD1-CG2 3.96Å; I947-V980 HydrophobicContact CG1-CG2 4.03Å; I947-V980 CarbonylContact O-C 3.54Å; I947-V980 WeakPolarHBondContact O-CA 3.32Å; W959-V980 HydrophobicContact CH2-CG1 3.77Å; W959-V980 HydrophobicContact CH2-CG2 4.24Å; W959-V980 HydrophobicContact CZ2-CB 4.44Å; W959-V980 HydrophobicContact CZ2-CG1 3.67Å; W959-V980 HydrophobicContact CZ2-CG2 4.02Å; V978-V980 HydrophobicContact CG1-CG2 4.41Å
981Y81.1Confident61.3Low8 Ų882.5 Ų82.53%0.03142%0.418CS..EExtended strand (participates in β ladder)trans-96.6136.7-178.3-67.6-101.7000111.8K773 A777 P780 H946 I947 R949K773-Y981 HydrophobicContact CB-CD1 4.16Å; K773-Y981 HydrophobicContact CB-CE1 4.09Å; K773-Y981 HydrophobicContact CD-CE1 4.42Å; K773-Y981 VanDerWaalsContact O-CA 3.27Å; K773-Y981 WeakPolarHBondContact O-CA 3.46Å; A777-Y981 HydrophobicContact CB-CD2 3.9Å; A777-Y981 HydrophobicContact CB-CG 3.94Å; P780-Y981 WeakPolarHBondContact CA-OH 3.42Å; P780-Y981 WeakPolarHBondContact CB-OH 3.38Å; H946-Y981 HydrophobicContact CB-CD2 4.38Å; H946-Y981 HydrophobicContact CB-CE2 3.65Å; H946-Y981 PolarHBondContact CE1-OH 3.06Å; H946-Y981 AromaticContact CG-CE2 3.86Å; H946-Y981 AromaticContact ND1-CE2 3.3Å; H946-Y981 VanDerWaalsContact ND1-CE2 3.3Å; H946-Y981 WeakPolarHBondContact ND1-CE2 3.5Å; H946-Y981 AromaticContact ND1-CZ 3.45Å; H946-Y981 PolarHBondContact ND1-OH 3.45Å; I947-Y981 PolarHBondContact O-N 2.83Å; R949-Y981 PolarHBondContact N-O 3.03Å
982Y71.6Confident58.8Low108 Ų10890.7 Ų90.742%0.42446%0.456SS..EExtended strand (participates in β ladder)trans-122.7135.717254.4-82000110.8K773 I774 G775K773-Y982 WeakPolarHBondContact O-CD1 3.31Å; K773-Y982 VanDerWaalsContact O-CE1 3.29Å; K773-Y982 WeakPolarHBondContact O-CE1 3.27Å; K773-Y982 PolarHBondContact O-N 3.2Å; I774-Y982 HydrophobicContact CB-CE2 4.34Å; I774-Y982 HydrophobicContact CD1-CE2 4.04Å; I774-Y982 HydrophobicContact CG1-CD2 4.08Å; I774-Y982 HydrophobicContact CG1-CE1 4.22Å; I774-Y982 HydrophobicContact CG1-CE2 3.24Å; I774-Y982 VanDerWaalsContact CG1-OH 3.23Å; I774-Y982 WeakPolarHBondContact CG1-OH 3.22Å; G775-Y982 PolarHBondContact N-O 3.04Å
983Y55.6Low56.3Low176 Ų17690.6 Ų90.669%0.6946%0.462SS*.  trans-101.1134.5178.9-170.7-96.8000110.3
984R42Very low54Low110 Ų11097 Ų9742%0.41549%0.49SS..  trans-106.8117.5173.3-138.9-178.5-160.8177.83.1108.2V986 Y1042R984-V986 PolarHBondContact O-N 2.97Å; R984-Y1042 PolarHBondContact NH1-O 3.24Å; R984-Y1042 PolarHBondContact NH2-O 3.18Å
985P39.7Very low51.5Low70 Ų70101.3 Ų101.346%0.45552%0.515SS..  trans-63.5134.5176.5-17.129.3000111
986V34.7Very low49Very low128 Ų12899.4 Ų99.478%0.77652%0.518SS*.  trans-80.3115.3168.2179.10000107.5R984 A988R984-V986 PolarHBondContact O-N 2.97Å; V986-A988 PolarHBondContact O-N 2.9Å
987N32.4Very low46.5Very low88 Ų88107.4 Ų107.447%0.47156%0.555SS.*  trans-72.8114.4172.9-77.9-7.8000109.4D989 Y1044N987-D989 VanDerWaalsContact C-N 3.35Å; N987-D989 PolarHBondContact O-N 3.49Å; N987-D989 VanDerWaalsContact O-N 3.11Å; N987-Y1044 WeakPolarHBondContact ND2-CE2 3.48Å
988A26.9Very low43.9Very low94 Ų94112.4 Ų112.478%0.77759%0.585SS**  trans-71.889.1163.500000108.6V986V986-A988 PolarHBondContact O-N 2.9Å
989D27.8Very low41.3Very low144 Ų144120 Ų12077%0.7762%0.622SS**  trans-161.682.7164.1-84.3-36.6000108.5N987N987-D989 VanDerWaalsContact C-N 3.35Å; N987-D989 PolarHBondContact O-N 3.49Å; N987-D989 VanDerWaalsContact O-N 3.11Å
990N28.1Very low38.5Very low163 Ų163123.3 Ų123.387%0.87265%0.649SS**  trans-167.460.4160.6-94-19.9000109.5
991H27.2Very low35.9Very low193 Ų193128.8 Ų128.889%0.89468%0.683SS**  trans-11484.2154.1-87.7-58.6000107.4
992H29.7Very low33.3Very low179 Ų179134 Ų13483%0.82972%0.716SS**  trans-120.3103159.3-97.3-62.7000109.5
993S28Very low31.4Very low94 Ų94134.7 Ų134.766%0.65773%0.731SS**  trans47.395.2142.855.80000117.9
994F28.8Very low29.9Very low213 Ų213131.1 Ų131.193%0.93473%0.732SS**  -93.3129.3129.9-103.1-89.3000108.4
995D25.6Very low29.3Very low149 Ų149131.6 Ų131.680%0.79775%0.751SS**  trans-55.3134.3-176.7-68.8-53.3000113.9
996S30.5Very low28.5Very low109 Ų109139.7 Ų139.776%0.76277%0.772SS**  -168.6125127.837.90000110.7
997H27.2Very low28.2Very low178 Ų178138.4 Ų138.482%0.82477%0.769SS**  trans-13.2136.5163.2-57.1-74.8000115.1
998T29.9Very low27.9Very low128 Ų128140.2 Ų140.279%0.78578%0.784SS**  -175.1120.479.4-50.80000111.7
999M29.1Very low27.9Very low159 Ų159140.9 Ų140.978%0.78378%0.782SS**  trans46.7122.4146.2-53.2-131.980.200124.2
1000S27.8Very low27.9Very low96 Ų96139 Ų13967%0.67178%0.781SS**  67.1138.7129.770.60000119.4
1001T29.7Very low27.8Very low117 Ų117140 Ų14072%0.71878%0.777SS**  cis-168.3133.725.816.80000110.8
1002T26.9Very low27.7Very low118 Ų118138.4 Ų138.472%0.72477%0.77SS**  trans31.9136.4132.363.30000120.6
1003T30.9Very low27.6Very low122 Ų122137.7 Ų137.775%0.74877%0.767SS**  -178.8128.857.921.10000109
1004S26Very low27.6Very low102 Ų102140.2 Ų140.271%0.71377%0.772SS**  58.8130.4101.993.90000115.6
1005C27.6Very low27.4Very low120 Ų120141.3 Ų141.381%0.81177%0.77SS**  cis-169.7152.942.6-93.40000113.1
1006R24.2Very low27.4Very low239 Ų239139.2 Ų139.290%0.90277%0.767SS**  trans-24.5140.7154.6-73.7165.9167.4174.7-3.9117.7
1007S27.2Very low27.4Very low102 Ų102142.9 Ų142.971%0.71378%0.775SS**  154.9132.786.950.70000114.1
1008T26.2Very low27.4Very low126 Ų126142.5 Ų142.577%0.77377%0.771SS**  trans64.7122.313959.60000123
1009S27.2Very low27.2Very low107 Ų107145.6 Ų145.675%0.74877%0.768SS**  111.5128.6127.777.70000119.7
1010S27.8Very low27Very low105 Ų105146.5 Ų146.573%0.73477%0.767SS**  trans68.3108.7150.754.70000121.2
1011K26Very low27.1Very low185 Ų185149.5 Ų149.580%0.80477%0.774SS**  52.2127.5126.1-76.9-173.5177.3-177.60120.5
1012E24.9Very low27Very low158 Ų158148.5 Ų148.574%0.73877%0.772SS**  trans83.4135.1143.9-71.5173.7-168.500118.8
1013H29Very low26.9Very low164 Ų164147.9 Ų147.976%0.75977%0.772SS**  trans101.1115.6156.2-80.110.5000120.4
1014L28.1Very low26.7Very low148 Ų148148.1 Ų148.178%0.77578%0.779SS**  trans84.9107.1136.6-93.679.1000120.7
1015R23.5Very low26.6Very low236 Ų236152 Ų15289%0.89179%0.786SS**  trans-5.4140.8138.4-73.5175.7169.2177.5-3.9118.9
1016S26Very low26.6Very low105 Ų105153.3 Ų153.373%0.73479%0.785SS**  trans85110.2136.4173.20000119.6
1017M29.5Very low26.7Very low186 Ų186148.9 Ų148.992%0.91678%0.778SS**  trans-176.398.1134.7-100.6174.4-16800108.6
1018K27Very low26.7Very low170 Ų170150.7 Ų150.774%0.73978%0.778SS**  48.1116.292.5-98.6-177.5-178.9170.50116.5
1019R25.9Very low26.8Very low192 Ų192151.4 Ų151.473%0.72578%0.777SS**  107.6124.1128.1-75.3174.1-176.61640.7120.7
1020K25.6Very low26.8Very low179 Ų179151 Ų15178%0.77877%0.774SS**  80.2128.9126.8-76.1-178.9173.5-169.60119.6
1021I30.8Very low26.6Very low159 Ų159153.3 Ų153.382%0.81578%0.778SS**  175.297124.5-81147.4000104.8
1022S26.8Very low26.7Very low95 Ų95152.8 Ų152.866%0.66478%0.779SS**  66.7108.177.671.80000116.9
1023S23.6Very low26.8Very low105 Ų105152.3 Ų152.373%0.73478%0.781SS**  trans61.5123.3131.861.70000121.9
1024S28.1Very low26.5Very low128 Ų128152.6 Ų152.690%0.89579%0.787SS**  trans-162.6115.4133.1-72.10000110.7
1025Q22.6Very low26.4Very low182 Ų182154.7 Ų154.785%0.8579%0.793SS**  trans-87150.6165.9-77158.8-53.500109.6
1026N28.3Very low26.5Very low148 Ų148149.7 Ų149.779%0.79179%0.789SS**  trans-177104.9141.8-85.8-22.6000108.7
1027I25.7Very low26.5Very low147 Ų147153.4 Ų153.475%0.75480%0.797SS**  71.1128.692.2-53.7164000113.7
1028I28.9Very low26.3Very low140 Ų140153.9 Ų153.972%0.71880%0.797SS**  trans129.599.4142.6-58.2-177.4000115.1
1029D26.9Very low26.4Very low140 Ų140151.1 Ų151.175%0.74980%0.796SS**  65.1121.5129.5-57.8-18.1000125.5
1030S27.2Very low26.6Very low99 Ų99145.8 Ų145.869%0.69279%0.793SS**  92.1109.6122.265.70000121.2
1031N23.9Very low26.8Very low153 Ų153144.8 Ų144.882%0.81880%0.797SS**  trans50.6114.1131.1-60.6-24.9000119.9
1032Q28.3Very low27Very low174 Ų174145.2 Ų145.281%0.81379%0.789SS**  168.7129.3104.6-90.1177.8-100112.5
1033N27.5Very low27.3Very low149 Ų149145.9 Ų145.980%0.79779%0.785SS**  trans73.4112.9148.2-59.4-19.3000121.7
1034L22.6Very low27.7Very low169 Ų169145.8 Ų145.889%0.88577%0.769SS**  trans-50.6139.6154.7-85.269.7000111.8
1035E26.2Very low28.1Very low192 Ų192142.6 Ų142.690%0.89774%0.742SS**  -163.7143.2119.1-105.9173-166.500112
1036T24.9Very low28.6Very low132 Ų132140.1 Ų140.181%0.8173%0.734SS**  trans-49.8137.6-173.6470000118.7
1037M25.7Very low28.7Very low183 Ų183142.1 Ų142.190%0.90174%0.736SS**  trans-147.3132.9150.5-84.2-140.3149.100112.4
1038Q25.5Very low29.5Very low196 Ų196139 Ų13992%0.91672%0.724SS**  trans-86.8151.1177.8-67.1-168.1-22.700112.2
1039P28.7Very low29.6Very low111 Ų111134.5 Ų134.572%0.72171%0.712SS**  trans-113.2139.916233.8-21.4000113.7
1040A31Very low29.7Very low80 Ų80129.9 Ų129.966%0.66169%0.685SS**  trans-74.3167.3-176.800000115Y1042A1040-Y1042 VanDerWaalsContact O-CE1 3.31Å; A1040-Y1042 WeakPolarHBondContact O-CE1 3.06Å
1041N30.9Very low30.1Very low159 Ų159127.8 Ų127.885%0.8567%0.67SS**  trans-68.4135-167.1-66.9-48.2000116.4
1042Y34.7Very low30.5Very low167 Ų167126.1 Ų126.166%0.65566%0.656SS**  trans-126.3144.1159.717.3-88.8000110R984 A1040R984-Y1042 PolarHBondContact NH1-O 3.24Å; R984-Y1042 PolarHBondContact NH2-O 3.18Å; A1040-Y1042 VanDerWaalsContact O-CE1 3.31Å; A1040-Y1042 WeakPolarHBondContact O-CE1 3.06Å
1043L32Very low30.6Very low110 Ų110127.2 Ų127.258%0.57665%0.654SS**EExtended strand (participates in β ladder)trans-112.5116.8173.1-97.6159.5000109.7F1052L1043-F1052 PolarHBondContact O-N 3.03Å
1044Y31.9Very low30.8Very low102 Ų102127 Ų12740%0.465%0.652SS.*EExtended strand (participates in β ladder)trans-106.3126.9175.4-167.1-100.1000109.8N987 L1046N987-Y1044 WeakPolarHBondContact ND2-CE2 3.48Å; Y1044-L1046 HydrophobicContact CD1-CG 4.4Å
1045N36.2Very low31Very low62 Ų62125.7 Ų125.733%0.33265%0.646SS.*  trans-95.3106.8176.2-177.4-17.8000110.6F1047 T1048 G1049N1045-F1047 PolarHBondContact O-N 3.23Å; N1045-F1047 VanDerWaalsContact O-N 3.08Å; N1045-F1047 PolarHBondContact OD1-N 2.96Å; N1045-T1048 WeakPolarHBondContact CB-OG1 3.13Å; N1045-T1048 PolarHBondContact ND2-OG1 2.99Å; N1045-T1048 VanDerWaalsContact ND2-OG1 3.13Å; N1045-T1048 PolarHBondContact O-N 2.98Å; N1045-G1049 PolarHBondContact O-N 3.23Å; N1045-G1049 VanDerWaalsContact O-N 3.15Å
1046L33.2Very low31.1Very low129 Ų129121.7 Ų121.768%0.67564%0.639SS**THydrogen-bonded Turntrans-62.7-8-178.8-88.8134.2000115.7Y1044Y1044-L1046 HydrophobicContact CD1-CG 4.4Å
1047F30.7Very low31.3Very low191 Ų191124.6 Ų124.684%0.83864%0.64SS**THydrogen-bonded Turntrans-108.8-5.5177-73.9-81.8000114.1N1045N1045-F1047 PolarHBondContact O-N 3.23Å; N1045-F1047 VanDerWaalsContact O-N 3.08Å; N1045-F1047 PolarHBondContact OD1-N 2.96Å
1048T43.3Very low31.4Very low82 Ų82121.1 Ų121.150%0.50363%0.631SS.*THydrogen-bonded Turntrans-132.9-6.4-175.257.20000114.7N1045 K1050N1045-T1048 WeakPolarHBondContact CB-OG1 3.13Å; N1045-T1048 PolarHBondContact ND2-OG1 2.99Å; N1045-T1048 VanDerWaalsContact ND2-OG1 3.13Å; N1045-T1048 PolarHBondContact O-N 2.98Å; T1048-K1050 PolarHBondContact O-N 3.17Å; T1048-K1050 VanDerWaalsContact O-N 3.1Å
1049G30.1Very low31.5Very low45 Ų45117.4 Ų117.446%0.46462%0.622SS.*  trans63.416.3175.100000114.8N1045N1045-G1049 PolarHBondContact O-N 3.23Å; N1045-G1049 VanDerWaalsContact O-N 3.15Å
1050K30Very low31.6Very low43 Ų43119 Ų11919%0.18762%0.624CS.*  trans-116.4129.5177.7-60-167.3174.2-176.50110.8L625 I630 T1048L625-K1050 HydrophobicContact CD1-CD 4.28Å; L625-K1050 HydrophobicContact CD2-CD 3.93Å; I630-K1050 HydrophobicContact CG2-CD 4.22Å; I630-K1050 HydrophobicContact CG2-CG 3.92Å; T1048-K1050 PolarHBondContact O-N 3.17Å; T1048-K1050 VanDerWaalsContact O-N 3.1Å
1051S35.4Very low31.4Very low54 Ų54122 Ų12238%0.37863%0.629SS.*EExtended strand (participates in β ladder)trans-83.9141.7166.634.80000109.6
1052F31.2Very low31.4Very low119 Ų119121.4 Ų121.452%0.52263%0.626SS.*EExtended strand (participates in β ladder)trans-113.7131.1167.7-67.8-87.3000108.5L1043L1043-F1052 PolarHBondContact O-N 3.03Å
1053Y30.8Very low31.3Very low197 Ų197119.5 Ų119.577%0.77363%0.627SS**  trans-78.5139.9165.8-76.7-90.5000109.5
1054I31Very low31.1Very low145 Ų145121.3 Ų121.374%0.74464%0.638SS**  trans-111.8107.4154.4-63.6175.9000104.5S1056I1054-S1056 PolarHBondContact O-N 3.23Å
1055D27.2Very low31.1Very low141 Ų141121.6 Ų121.675%0.75466%0.655SS**  trans-55.5127.6178.3-77.2-34.5000110.9
1056S29.8Very low30.9Very low108 Ų108127.5 Ų127.576%0.75568%0.677SS**  trans-133.1122.6151.731.40000107.7I1054I1054-S1056 PolarHBondContact O-N 3.23Å
1057F28Very low30.7Very low193 Ų193128.2 Ų128.285%0.84668%0.681SS**  trans-61.7154.2-169.5-76.9-96.9000113.5
1058P27.6Very low30.4Very low109 Ų109126.3 Ų126.371%0.70868%0.679SS**  trans-99.3-176.2-174.126-6.9000112.8
1059V27.6Very low29.8Very low118 Ų118127.5 Ų127.572%0.71569%0.688SS**  trans91.3131.2151.9-170.80000114.6
1060D31.9Very low29.6Very low145 Ų145134.3 Ų134.378%0.77571%0.705SS**  cis-161.8151.1-3.5-98.3-15.6000108.3
1061N25.5Very low29.5Very low142 Ų142140.6 Ų140.676%0.75974%0.74SS**  trans-79.9127.1163.9-79-36.1000109.8
1062N32.2Very low29Very low147 Ų147147.4 Ų147.479%0.78676%0.763SS**  trans-165.7134.2138.1-102.8-10.3000113.4
1063D32.3Very low29.1Very low127 Ų127147 Ų14768%0.67977%0.772SS**  trans72.699147.4-62.4-33.4000121.8
1064N27.8Very low29Very low149 Ų149144.5 Ų144.580%0.79777%0.771SS**  32.8107.5116.4-71.7-38.6000117.5
1065S31.1Very low28.8Very low108 Ų108144.6 Ų144.676%0.75577%0.773SS**  148.7131111.662.60000113.9
1066K31.6Very low28.9Very low186 Ų186148 Ų14881%0.80978%0.781SS**  trans64112.9146.7-67.2179.4178.2175.90120.4
1067L29.1Very low28.7Very low144 Ų144151.5 Ų151.575%0.75479%0.785SS**  trans61.6109131.6-78.3122.9000120.2
1068N25.2Very low28.7Very low150 Ų150149.3 Ų149.380%0.80278%0.782SS**  50.5156.6126.7-78.9-9.2000121.2
1069P31.3Very low28.7Very low107 Ų107149.5 Ų149.570%0.69579%0.785SS**  -119.8-179.2-78.526.5-2.9000112.5
1070K25.2Very low28.6Very low189 Ų189153.2 Ų153.282%0.82279%0.792SS**  trans98.5131.6162.1-58.8-179.4176176.70119.2
1071L28.6Very low28.3Very low174 Ų174155.1 Ų155.191%0.91180%0.796SS**  trans122.9132.2146.3-71.5139.1000117.3
1072K25.1Very low28.4Very low198 Ų198156 Ų15686%0.86180%0.8SS**  trans-73.7-167.4-170.8-59.3170.4165.9-179.20114.7
1073P31.7Very low28.2Very low111 Ų111154.6 Ų154.672%0.72180%0.801SS**  -127.7-170.4-61.733.6-13.1000113.3
1074I28.8Very low28.1Very low143 Ų143153.3 Ų153.373%0.73381%0.808SS**  trans120.3110.5153.7-59.5168.8000117.2
1075D26.4Very low28.2Very low147 Ų147149.6 Ų149.679%0.78679%0.794SS**  trans45.5114.2148.8-54.6-15.1000123.1
1076K29.4Very low28.2Very low214 Ų214154.2 Ų154.293%0.9380%0.795SS**  trans-169.3120138.7-104.2167.9-172.7-175.20111.7
1077E27.4Very low28.4Very low180 Ų180151.7 Ų151.784%0.84179%0.789SS**  trans-80.7162.3176.5-71173.5144.100113.9
1078N27.4Very low28.5Very low147 Ų147155.2 Ų155.279%0.78679%0.793SS**  trans82.392.4156.5-67.5-20.2000120.9
1079C27Very low28.9Very low113 Ų113154.6 Ų154.676%0.76479%0.785SS**  170.8122.6106.6-102.90000113.8
1080F25.9Very low29.2Very low197 Ų197152.9 Ų152.986%0.86478%0.776SS**  trans68.680.1155-71.5-84.5000121.3
1081Q26.3Very low29.7Very low185 Ų185149.6 Ų149.686%0.86477%0.765SS**  trans-133.4138.5144.2-88.8-173.4-23.500108.4
1082L27.6Very low30Very low160 Ų160149.8 Ų149.884%0.83876%0.759SS**  trans154.773.7140.4-78.8165.9000112.2
1083S28.1Very low30.6Very low117 Ų117149.3 Ų149.382%0.81876%0.757SS**SBendtrans-107.2137.5142.356.90000107.3
1084A28.8Very low30.8Very low100 Ų100154.7 Ų154.783%0.82676%0.763SS**SBendtrans97.423168.800000120.9
1085S30.8Very low31Very low71 Ų71154.6 Ų154.650%0.49776%0.762SS.*SBendtrans-122.6-12.7168.4-159.20000116.3
1086W30.9Very low31.3Very low206 Ų206153.4 Ų153.478%0.7876%0.764SS**SBendtrans-91.5-10.4-178.5-11146.9000115.8S1090W1086-S1090 PolarHBondContact O-OG 3.06Å
1087I34.8Very low31.5Very low132 Ų132151 Ų15168%0.67776%0.761SS**Hα-helixtrans-87.1-21.3-178.4-65.8172.1000111.8I1091I1087-I1091 HydrophobicContact CG2-CD1 4.29Å; I1087-I1091 WeakPolarHBondContact O-CD1 3.44Å; I1087-I1091 WeakPolarHBondContact O-CG1 3.33Å
1088W31Very low32Very low219 Ų219148 Ų14883%0.8376%0.757SS**Hα-helixtrans-90.5-19.9179.2-154.7-88.8000114.1
1089Q34Very low32Very low137 Ų137150.5 Ų150.564%0.6476%0.764SS**Hα-helixtrans-92.3-23.2176.3-84.3178.8-6.800113.8
1090S37.3Very low32.5Very low71 Ų71150.1 Ų150.150%0.49776%0.762SS.*Hα-helixtrans-82.1-17.1176.2-66.40000113.9W1086W1086-S1090 PolarHBondContact O-OG 3.06Å
1091I37.4Very low32.8Very low119 Ų119147.8 Ų147.861%0.6176%0.759SS**SBendtrans-84.2-19.1174.1-66.5174.6000111.7I1087I1087-I1091 HydrophobicContact CG2-CD1 4.29Å; I1087-I1091 WeakPolarHBondContact O-CD1 3.44Å; I1087-I1091 WeakPolarHBondContact O-CG1 3.33Å
1092K34.3Very low33.3Very low178 Ų178150.5 Ų150.577%0.77476%0.763SS**THydrogen-bonded Turntrans-87.6-7.1177.9-120.9178.6-179.6-177.70114.9
1093K37.8Very low33.5Very low188 Ų188150 Ų15082%0.81776%0.761SS**THydrogen-bonded Turntrans-104.82.5-177.5-89.4-175.5175.2-179.50115.2
1094R34.5Very low34Very low224 Ų224151.7 Ų151.785%0.84576%0.759SS**SBendtrans-116.215.1-178.7-80.2-173.2178.5171.83.9115.1
1095I34Very low34.3Very low141 Ų141159.5 Ų159.572%0.72378%0.782SS**  trans-12278.9173.8-53174.4000107.9
1096C32.2Very low34.5Very low123 Ų123163.9 Ų163.983%0.83180%0.796SS**  trans-133.992.6164.1-740000106.8
1097L35Very low34.7Very low162 Ų162161.7 Ų161.785%0.84880%0.797SS**PPolyproline II helixtrans-79.6140.2161.2-74.6164.9000107.8E1099L1097-E1099 PolarHBondContact O-N 2.9Å
1098P35.8Very low34.7Very low117 Ų117163.3 Ų163.376%0.7680%0.804SS**PPolyproline II helixtrans-76124.8178.630-29.6000110
1099E28.5Very low34.9Very low201 Ų201160.1 Ų160.194%0.93980%0.802SS**PPolyproline II helixtrans-69.3123.5164.3-72.6177.8156.800109.1L1097L1097-E1099 PolarHBondContact O-N 2.9Å
1100S37Very low35Very low104 Ų104161.5 Ų161.573%0.72781%0.812SS**  trans-139.2105.616162.90000109.2
1101D32.8Very low34.8Very low148 Ų148167.5 Ų167.579%0.79183%0.833SS**  trans28.3116.1144.1-61.5-33.4000118.5
1102Y36.2Very low34.6Very low242 Ų242171 Ų17195%0.94985%0.849SS**  -159.2102.1125.4-101-73.9000109.7
1103N31.6Very low34.6Very low149 Ų149170.5 Ų170.580%0.79786%0.855SS**  trans-72.7147.7160.4-95.5-45.3000109.8
1104I38.5Very low34.4Very low154 Ų154169 Ų16979%0.7986%0.858SS**  trans139.7116.8135.6-68.5161.1000110.9
1105M36.3Very low34.4Very low263 Ų263164 Ų164100%1.29686%0.859SS**  trans77.80169-75.3-172.6172.200119

Retrieved 1,105 of 1,105 residues in 718.1 ms (Link to these results)

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