A0A077Z332_TRITR Loading...

EST1 DNA bind domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z332, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 752 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
1M74.1Confident77.6Confident60 Ų6079.4 Ų79.430%0.29640%0.398SS..  0-670-152.9-172.480.100112.1N3 G9 E13 L57 I61 F96M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.29Å; M1-G9 WeakPolarHBondContact CG-O 3.49Å; M1-E13 HydrophobicContact CG-CB 4.35Å; M1-E13 HydrophobicContact SD-CB 3.71Å; M1-E13 HydrophobicContact SD-CG 3.86Å; M1-L57 HydrophobicContact CE-CD1 3.22Å; M1-L57 HydrophobicContact CE-CD2 3.96Å; M1-L57 HydrophobicContact CE-CG 3.69Å; M1-L57 HydrophobicContact SD-CD1 4.07Å; M1-L57 HydrophobicContact SD-CD2 4.07Å; M1-L57 HydrophobicContact SD-CG 4.44Å; M1-I61 HydrophobicContact CE-CD1 3.48Å; M1-I61 VanDerWaalsContact CE-CD1 3.48Å; M1-I61 HydrophobicContact CE-CG1 3.75Å; M1-F96 HydrophobicContact CG-CZ 4.35Å
2L76.5Confident78.5Confident57 Ų5776.2 Ų76.230%0.29839%0.393SS..THydrogen-bonded Turntrans-69.3-14.3-172.4-63.1176.1000116.6A60 I61 K64L2-A60 HydrophobicContact CD1-CB 4.16Å; L2-I61 HydrophobicContact CD2-CG1 3.66Å; L2-K64 PolarHBondContact O-NZ 2.89Å
3N78.5Confident79.4Confident156 Ų15670.5 Ų70.583%0.83436%0.364SS*.THydrogen-bonded Turntrans-98-9.8-174-64.1-12.6000113.7M1M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.29Å
4D79.5Confident80Confident54 Ų5468.1 Ų68.129%0.28936%0.359SS..  trans-147.569.2-172.7-177.217000108.9D6 G7 R8 G9D4-D6 VanDerWaalsContact C-N 3.3Å; D4-G7 VanDerWaalsContact OD1-CA 3.26Å; D4-G7 WeakPolarHBondContact OD1-CA 3.27Å; D4-G7 PolarHBondContact OD1-N 2.91Å; D4-R8 PolarHBondContact OD2-N 3.1Å; D4-R8 IonicContact OD2-NE 3.77Å; D4-G9 VanDerWaalsContact O-CA 3.31Å; D4-G9 WeakPolarHBondContact O-CA 3.35Å; D4-G9 PolarHBondContact O-N 3.13Å
5P71.2Confident80.6Confident22 Ų2268.9 Ų68.914%0.14336%0.36CS..THydrogen-bonded Turntrans-64.1-35.4-176.924.9-32.5000112.4F96P5-F96 HydrophobicContact CB-CB 3.87Å; P5-F96 HydrophobicContact CB-CD1 3.6Å; P5-F96 HydrophobicContact CB-CD2 3.69Å; P5-F96 HydrophobicContact CB-CE1 4.02Å; P5-F96 HydrophobicContact CB-CE2 4.1Å; P5-F96 HydrophobicContact CB-CG 3.41Å; P5-F96 VanDerWaalsContact CB-CG 3.41Å; P5-F96 HydrophobicContact CB-CZ 4.25Å; P5-F96 WeakPolarHBondContact O-CD2 3.49Å
6D67.9Low81.3Confident114 Ų11466.6 Ų66.661%0.6135%0.351SS*.THydrogen-bonded Turntrans-74.7-39178.3-86.1-51.3000114.1D4 V92D4-D6 VanDerWaalsContact C-N 3.3Å; D6-V92 WeakPolarHBondContact OD1-CG1 3.29Å; D6-V92 WeakPolarHBondContact OD2-CG1 3.31Å
7G71.4Confident82Confident40 Ų4063.7 Ų63.741%0.41234%0.335SS..THydrogen-bonded Turntrans-92.7-109-176.800000112D4 G9D4-G7 VanDerWaalsContact OD1-CA 3.26Å; D4-G7 WeakPolarHBondContact OD1-CA 3.27Å; D4-G7 PolarHBondContact OD1-N 2.91Å; G7-G9 PolarHBondContact O-N 2.91Å
8R80.2Confident82.5Confident197 Ų19767.3 Ų67.374%0.74334%0.343SS*.Hα-helixtrans-76.8-7.1-165.7-67.7176.4-75-177.1-5.8113.8D4 A12D4-R8 PolarHBondContact OD2-N 3.1Å; D4-R8 IonicContact OD2-NE 3.77Å; R8-A12 WeakPolarHBondContact O-CB 3.4Å; R8-A12 PolarHBondContact O-N 2.99Å
9G82.8Confident82.8Confident1 Ų168.8 Ų68.81%0.0135%0.351CS..Hα-helixtrans-58.9-50.4-175.500000113.3M1 D4 G7 A12 E13M1-G9 WeakPolarHBondContact CG-O 3.49Å; D4-G9 VanDerWaalsContact O-CA 3.31Å; D4-G9 WeakPolarHBondContact O-CA 3.35Å; D4-G9 PolarHBondContact O-N 3.13Å; G7-G9 PolarHBondContact O-N 2.91Å; G9-A12 PolarHBondContact O-N 3.07Å; G9-E13 PolarHBondContact O-N 2.94Å; G9-E13 VanDerWaalsContact O-N 3.17Å
10R85.4Confident82.9Confident66 Ų6668.8 Ų68.825%0.24935%0.354CS..Hα-helixtrans-65.2-43.4-177.1-66.1169.7177.5-865.3112.3A14 F96 D99 R103R10-A14 PolarHBondContact O-N 3.43Å; R10-F96 HydrophobicContact CG-CD2 3.87Å; R10-F96 HydrophobicContact CG-CE2 3.93Å; R10-D99 IonicContact CZ-OD2 3.85Å; R10-D99 IonicContact NH1-OD2 2.79Å; R10-D99 PolarHBondContact NH1-OD2 3.39Å; R10-D99 IonicContact NH2-OD2 2.88Å; R10-D99 PolarHBondContact NH2-OD2 2.92Å; R10-R103 PolarHBondContact O-NH2 3.16Å
11E85.7Confident83.2Confident106 Ų10666.2 Ų66.250%0.49534%0.34SS..Hα-helixtrans-70.6-41.1179.6-177.457.7-155.800111.4E13 A14 Q15E11-E13 VanDerWaalsContact C-N 3.29Å; E11-E13 PolarHBondContact O-N 3.18Å; E11-A14 PolarHBondContact O-N 3.5Å; E11-Q15 HydrophobicContact CG-CG 4.38Å; E11-Q15 WeakPolarHBondContact O-CB 3.43Å; E11-Q15 WeakPolarHBondContact O-CG 3.47Å; E11-Q15 PolarHBondContact O-N 3.06Å; E11-Q15 WeakPolarHBondContact OE1-CG 3.49Å; E11-Q15 PolarHBondContact OE1-NE2 2.76Å
12A88.4Confident83.8Confident41 Ų4166.6 Ų66.634%0.33934%0.34SS..Hα-helixtrans-60.4-39.3177.300000112.1R8 G9 C16R8-A12 WeakPolarHBondContact O-CB 3.4Å; R8-A12 PolarHBondContact O-N 2.99Å; G9-A12 PolarHBondContact O-N 3.07Å; A12-C16 WeakPolarHBondContact O-CB 3.34Å; A12-C16 PolarHBondContact O-N 3.28Å
13E90.1Very high84.2Confident3 Ų367.8 Ų67.81%0.01435%0.347CS..Hα-helixtrans-66.9-47.1175.8-169.9-81.6142.100111.6M1 G9 E11 Q15 C16 W17 Y54 I100 R103 H107M1-E13 HydrophobicContact CG-CB 4.35Å; M1-E13 HydrophobicContact SD-CB 3.71Å; M1-E13 HydrophobicContact SD-CG 3.86Å; G9-E13 PolarHBondContact O-N 2.94Å; G9-E13 VanDerWaalsContact O-N 3.17Å; E11-E13 VanDerWaalsContact C-N 3.29Å; E11-E13 PolarHBondContact O-N 3.18Å; E13-Q15 VanDerWaalsContact C-N 3.33Å; E13-Q15 PolarHBondContact O-N 3Å; E13-C16 WeakPolarHBondContact O-CB 3.41Å; E13-C16 PolarHBondContact O-N 3.29Å; E13-C16 VanDerWaalsContact O-N 3.16Å; E13-W17 PolarHBondContact O-N 3.14Å; E13-Y54 PolarHBondContact OE1-OH 3.38Å; E13-I100 HydrophobicContact CB-CD1 3.98Å; E13-I100 HydrophobicContact CG-CD1 4.05Å; E13-I100 HydrophobicContact CG-CG2 4.15Å; E13-R103 IonicContact OE2-CZ 2.69Å; E13-R103 IonicContact OE2-NE 3.81Å; E13-R103 PolarHBondContact OE2-NE 3.43Å; E13-R103 IonicContact OE2-NH2 3.55Å; E13-R103 PolarHBondContact OE2-NH2 2.92Å; E13-H107 IonicContact OE1-CD2 3.88Å; E13-H107 PolarHBondContact OE1-CD2 3.46Å; E13-H107 VanDerWaalsContact OE1-CD2 3.28Å; E13-H107 IonicContact OE1-NE2 2.99Å; E13-H107 PolarHBondContact OE1-NE2 2.81Å
14A87.7Confident84.4Confident36 Ų3664 Ų6430%0.29833%0.33SS..Hα-helixtrans-60.5-41.2178.200000112.5R10 E11 R18R10-A14 PolarHBondContact O-N 3.43Å; E11-A14 PolarHBondContact O-N 3.5Å; A14-R18 WeakPolarHBondContact O-CB 3.36Å; A14-R18 PolarHBondContact O-N 3.38Å
15Q89.7Confident84.6Confident80 Ų8062.5 Ų62.537%0.37432%0.32SS..Hα-helixtrans-67.4-41.4174.7-71-177.21.400112.2E11 E13 W17 R18 I19E11-Q15 HydrophobicContact CG-CG 4.38Å; E11-Q15 WeakPolarHBondContact O-CB 3.43Å; E11-Q15 WeakPolarHBondContact O-CG 3.47Å; E11-Q15 PolarHBondContact O-N 3.06Å; E11-Q15 WeakPolarHBondContact OE1-CG 3.49Å; E11-Q15 PolarHBondContact OE1-NE2 2.76Å; E13-Q15 VanDerWaalsContact C-N 3.33Å; E13-Q15 PolarHBondContact O-N 3Å; Q15-W17 VanDerWaalsContact C-N 3.34Å; Q15-W17 PolarHBondContact O-N 3.46Å; Q15-R18 PolarHBondContact O-N 2.89Å; Q15-I19 HydrophobicContact CB-CD1 4.42Å; Q15-I19 WeakPolarHBondContact O-CB 3.42Å; Q15-I19 WeakPolarHBondContact O-CG1 3.45Å; Q15-I19 PolarHBondContact O-N 3.05Å
16C91Very high85Confident32 Ų3265.5 Ų65.522%0.21633%0.333CS..Hα-helixtrans-57.5-48.9175.6-175.20000110.6A12 E13 T20A12-C16 WeakPolarHBondContact O-CB 3.34Å; A12-C16 PolarHBondContact O-N 3.28Å; E13-C16 WeakPolarHBondContact O-CB 3.41Å; E13-C16 PolarHBondContact O-N 3.29Å; E13-C16 VanDerWaalsContact O-N 3.16Å; C16-T20 WeakPolarHBondContact O-CB 3.43Å; C16-T20 PolarHBondContact O-N 2.99Å; C16-T20 PolarHBondContact O-OG1 2.89Å
17W93.3Very high85.6Confident18 Ų1865.7 Ų65.77%0.06833%0.333CS..Iπ-helixtrans-55.3-55.6175176.5-117.9000111.9E13 Q15 F21 K22 Y54 H107 D110 L111E13-W17 PolarHBondContact O-N 3.14Å; Q15-W17 VanDerWaalsContact C-N 3.34Å; Q15-W17 PolarHBondContact O-N 3.46Å; W17-F21 HydrophobicContact CD2-CB 4.42Å; W17-F21 HydrophobicContact CE3-CB 3.6Å; W17-F21 AromaticContact CE3-CD2 3.89Å; W17-F21 HydrophobicContact CE3-CD2 3.89Å; W17-F21 HydrophobicContact CE3-CG 4.11Å; W17-F21 HydrophobicContact CZ3-CB 3.66Å; W17-F21 HydrophobicContact CZ3-CD2 4.41Å; W17-F21 HydrophobicContact CZ3-CG 4.27Å; W17-F21 PolarHBondContact O-N 3.29Å; W17-F21 VanDerWaalsContact O-N 3.17Å; W17-K22 HydrophobicContact CZ2-CB 4.48Å; W17-K22 PolarHBondContact O-N 2.95Å; W17-Y54 WeakPolarHBondContact CB-OH 3.35Å; W17-Y54 AromaticContact CE3-CE2 3.66Å; W17-Y54 HydrophobicContact CE3-CE2 3.66Å; W17-Y54 AromaticContact CE3-CZ 3.76Å; W17-Y54 VanDerWaalsContact CE3-OH 3.31Å; W17-Y54 AromaticContact CZ3-CE2 3.9Å; W17-Y54 HydrophobicContact CZ3-CE2 3.9Å; W17-H107 AromaticContact CD1-CE1 3.22Å; W17-H107 AromaticContact CD1-ND1 3.68Å; W17-H107 AromaticContact CD1-NE2 3.71Å; W17-H107 HydrophobicContact CD2-CB 4.12Å; W17-H107 AromaticContact CD2-CD2 3.82Å; W17-H107 AromaticContact CD2-CE1 3.6Å; W17-H107 AromaticContact CD2-CG 3.48Å; W17-H107 VanDerWaalsContact CD2-CG 3.48Å; W17-H107 AromaticContact CD2-ND1 3.33Å; W17-H107 VanDerWaalsContact CD2-ND1 3.33Å; W17-H107 AromaticContact CD2-NE2 3.89Å; W17-H107 AromaticContact CE2-CE1 3.55Å; W17-H107 AromaticContact CE2-CG 3.72Å; W17-H107 AromaticContact CE2-ND1 3.12Å; W17-H107 HydrophobicContact CE3-CB 3.74Å; W17-H107 AromaticContact CE3-CG 3.59Å; W17-H107 AromaticContact CE3-ND1 3.9Å; W17-H107 AromaticContact CG-CD2 3.85Å; W17-H107 AromaticContact CG-CE1 3.39Å; W17-H107 AromaticContact CG-CG 3.96Å; W17-H107 AromaticContact CG-ND1 3.68Å; W17-H107 AromaticContact CG-NE2 3.49Å; W17-H107 HydrophobicContact CH2-CB 3.82Å; W17-H107 HydrophobicContact CZ2-CB 4.19Å; W17-H107 AromaticContact CZ2-ND1 3.52Å; W17-H107 HydrophobicContact CZ3-CB 3.58Å; W17-H107 AromaticContact CZ3-CG 3.92Å; W17-H107 AromaticContact NE1-CE1 3.3Å; W17-H107 PolarHBondContact NE1-CE1 2.8Å; W17-H107 VanDerWaalsContact NE1-CE1 3.3Å; W17-H107 AromaticContact NE1-ND1 3.34Å; W17-H107 PolarHBondContact NE1-ND1 2.66Å; W17-D110 HydrophobicContact CH2-CB 3.92Å; W17-D110 HydrophobicContact CZ2-CB 3.94Å; W17-D110 WeakPolarHBondContact CZ2-OD2 3.41Å; W17-L111 HydrophobicContact CH2-CD2 4.25Å; W17-L111 HydrophobicContact CH2-CG 4.07Å; W17-L111 HydrophobicContact CZ3-CD1 4.22Å; W17-L111 HydrophobicContact CZ3-CD2 4.12Å; W17-L111 HydrophobicContact CZ3-CG 4.02Å
18R91.7Very high86.1Confident128 Ų12865 Ų6548%0.48332%0.323SS..Iπ-helixtrans-59.3-56.2-174.9-176178.365.8-174-2.2111.9A14 Q15 D23A14-R18 WeakPolarHBondContact O-CB 3.36Å; A14-R18 PolarHBondContact O-N 3.38Å; Q15-R18 PolarHBondContact O-N 2.89Å; R18-D23 WeakPolarHBondContact CG-OD2 3.38Å; R18-D23 WeakPolarHBondContact O-CB 3.43Å; R18-D23 PolarHBondContact O-N 2.96Å
19I87.2Confident86Confident96 Ų9656.6 Ų56.649%0.49229%0.294SS..Iπ-helixtrans-75.4-48-170-61.4170.5000110.9Q15 T24Q15-I19 HydrophobicContact CB-CD1 4.42Å; Q15-I19 WeakPolarHBondContact O-CB 3.42Å; Q15-I19 WeakPolarHBondContact O-CG1 3.45Å; Q15-I19 PolarHBondContact O-N 3.05Å; I19-T24 PolarHBondContact O-OG1 3.06Å
20T86.6Confident85.9Confident68 Ų6860 Ų6042%0.41732%0.318SS..Iπ-helixtrans-80.7-37.8-169.4-440000112.1C16C16-T20 WeakPolarHBondContact O-CB 3.43Å; C16-T20 PolarHBondContact O-N 2.99Å; C16-T20 PolarHBondContact O-OG1 2.89Å
21F88Confident85.8Confident15 Ų1558.8 Ų58.87%0.06632%0.319CS..Iπ-helixtrans-113.8-60-168.8-57.1-61.5000111.8W17 Y25 A50 Y53 Y54W17-F21 HydrophobicContact CD2-CB 4.42Å; W17-F21 HydrophobicContact CE3-CB 3.6Å; W17-F21 AromaticContact CE3-CD2 3.89Å; W17-F21 HydrophobicContact CE3-CD2 3.89Å; W17-F21 HydrophobicContact CE3-CG 4.11Å; W17-F21 HydrophobicContact CZ3-CB 3.66Å; W17-F21 HydrophobicContact CZ3-CD2 4.41Å; W17-F21 HydrophobicContact CZ3-CG 4.27Å; W17-F21 PolarHBondContact O-N 3.29Å; W17-F21 VanDerWaalsContact O-N 3.17Å; F21-Y25 HydrophobicContact CB-CD2 4.22Å; F21-Y25 HydrophobicContact CB-CE2 4.16Å; F21-Y25 HydrophobicContact CD1-CD2 4.42Å; F21-Y25 AromaticContact CD1-CE2 3.54Å; F21-Y25 HydrophobicContact CD1-CE2 3.54Å; F21-Y25 AromaticContact CD1-CZ 3.86Å; F21-Y25 HydrophobicContact CE1-CE2 4.45Å; F21-Y25 HydrophobicContact CG-CE2 4.32Å; F21-Y25 WeakPolarHBondContact O-CB 3.36Å; F21-Y25 WeakPolarHBondContact O-CD2 3.35Å; F21-Y25 VanDerWaalsContact O-CG 3.25Å; F21-Y25 PolarHBondContact O-N 2.81Å; F21-A50 HydrophobicContact CD1-CB 3.5Å; F21-A50 HydrophobicContact CE1-CB 3.31Å; F21-A50 HydrophobicContact CG-CB 4.46Å; F21-A50 HydrophobicContact CZ-CB 4.16Å; F21-Y53 AromaticContact CE2-CD1 3.94Å; F21-Y53 HydrophobicContact CE2-CD1 3.94Å; F21-Y53 AromaticContact CE2-CE1 3.94Å; F21-Y53 HydrophobicContact CE2-CE1 3.94Å; F21-Y53 AromaticContact CZ-CD1 3.78Å; F21-Y53 HydrophobicContact CZ-CD1 3.78Å; F21-Y53 HydrophobicContact CZ-CE1 4.15Å; F21-Y53 HydrophobicContact CZ-CG 4.32Å; F21-Y54 AromaticContact CD2-CE2 3.7Å; F21-Y54 HydrophobicContact CD2-CE2 3.7Å; F21-Y54 HydrophobicContact CE2-CD2 4.49Å; F21-Y54 AromaticContact CE2-CE2 3.67Å; F21-Y54 HydrophobicContact CE2-CE2 3.67Å; F21-Y54 HydrophobicContact CG-CE2 4.49Å; F21-Y54 HydrophobicContact CZ-CE2 4.43Å
22K86.6Confident85.6Confident68 Ų6855.9 Ų55.930%0.29631%0.309SS..Iπ-helixtrans-60.4-62.2-171.8-172.2-172.7176.9-170.70112W17 T24 Y25 Q26W17-K22 HydrophobicContact CZ2-CB 4.48Å; W17-K22 PolarHBondContact O-N 2.95Å; K22-T24 VanDerWaalsContact C-N 3.28Å; K22-T24 PolarHBondContact O-N 2.96Å; K22-Y25 PolarHBondContact O-N 3.12Å; K22-Q26 HydrophobicContact CG-CG 4.28Å; K22-Q26 WeakPolarHBondContact O-CB 3.43Å; K22-Q26 WeakPolarHBondContact O-CG 3.4Å; K22-Q26 PolarHBondContact O-N 2.83Å
23D84.5Confident85.2Confident82 Ų8264.3 Ų64.344%0.43933%0.332SS..Hα-helixtrans-66-36.3-173.1-62.9-12.3000110.9R18 L27R18-D23 WeakPolarHBondContact CG-OD2 3.38Å; R18-D23 WeakPolarHBondContact O-CB 3.43Å; R18-D23 PolarHBondContact O-N 2.96Å; D23-L27 WeakPolarHBondContact O-CB 3.19Å
24T82.8Confident85.1Confident78 Ų7867.4 Ų67.448%0.47935%0.354SS..Hα-helixtrans-70.4-49179.3-59.90000112.3I19 K22 A28I19-T24 PolarHBondContact O-OG1 3.06Å; K22-T24 VanDerWaalsContact C-N 3.28Å; K22-T24 PolarHBondContact O-N 2.96Å; T24-A28 WeakPolarHBondContact O-CB 3.48Å; T24-A28 PolarHBondContact O-N 3.01Å
25Y84.9Confident85Confident22 Ų2268 Ų689%0.08635%0.352CS..Hα-helixtrans-82.3-34.8-174.3-60.4-21.4000113.1F21 K22 L27 A28 C29 L43 K46 I47 A50 L111F21-Y25 HydrophobicContact CB-CD2 4.22Å; F21-Y25 HydrophobicContact CB-CE2 4.16Å; F21-Y25 HydrophobicContact CD1-CD2 4.42Å; F21-Y25 AromaticContact CD1-CE2 3.54Å; F21-Y25 HydrophobicContact CD1-CE2 3.54Å; F21-Y25 AromaticContact CD1-CZ 3.86Å; F21-Y25 HydrophobicContact CE1-CE2 4.45Å; F21-Y25 HydrophobicContact CG-CE2 4.32Å; F21-Y25 WeakPolarHBondContact O-CB 3.36Å; F21-Y25 WeakPolarHBondContact O-CD2 3.35Å; F21-Y25 VanDerWaalsContact O-CG 3.25Å; F21-Y25 PolarHBondContact O-N 2.81Å; K22-Y25 PolarHBondContact O-N 3.12Å; Y25-L27 VanDerWaalsContact C-N 3.32Å; Y25-L27 PolarHBondContact O-N 3.49Å; Y25-A28 PolarHBondContact O-N 3.48Å; Y25-C29 WeakPolarHBondContact O-CB 3.32Å; Y25-C29 PolarHBondContact O-N 2.97Å; Y25-C29 PolarHBondContact O-SG 3.15Å; Y25-L43 HydrophobicContact CD1-CD1 4.07Å; Y25-K46 HydrophobicContact CE1-CB 4.26Å; Y25-K46 PolarHBondContact OH-O 3.43Å; Y25-I47 HydrophobicContact CD1-CG1 4.31Å; Y25-I47 HydrophobicContact CD2-CG1 3.75Å; Y25-I47 HydrophobicContact CE1-CG1 4.49Å; Y25-I47 HydrophobicContact CE2-CB 4.46Å; Y25-I47 HydrophobicContact CE2-CG1 3.9Å; Y25-I47 HydrophobicContact CG-CG1 3.98Å; Y25-A50 HydrophobicContact CE2-CB 3.81Å; Y25-L111 HydrophobicContact CD2-CD2 3.83Å; Y25-L111 HydrophobicContact CE2-CD2 3.93Å
26Q79.5Confident85Confident85 Ų8571.5 Ų71.540%0.39737%0.366SS..Hα-helixtrans-61.1-44.2175.8-72.9-176-24.400111K22 C29 S30K22-Q26 HydrophobicContact CG-CG 4.28Å; K22-Q26 WeakPolarHBondContact O-CB 3.43Å; K22-Q26 WeakPolarHBondContact O-CG 3.4Å; K22-Q26 PolarHBondContact O-N 2.83Å; Q26-C29 PolarHBondContact O-N 2.88Å; Q26-S30 PolarHBondContact O-N 3.39Å; Q26-S30 PolarHBondContact O-OG 2.93Å
27L79.8Confident84.8Confident117 Ų11775.3 Ų75.361%0.61339%0.39SS*.Hα-helixtrans-62.6-42.5174.9-176.964.8000111.8D23 Y25 C29 S30 C31D23-L27 WeakPolarHBondContact O-CB 3.19Å; Y25-L27 VanDerWaalsContact C-N 3.32Å; Y25-L27 PolarHBondContact O-N 3.49Å; L27-C29 PolarHBondContact O-N 3.19Å; L27-S30 PolarHBondContact O-N 3.03Å; L27-S30 PolarHBondContact O-OG 3.24Å; L27-C31 PolarHBondContact O-N 3.32Å; L27-C31 PolarHBondContact O-SG 3.38Å
28A81.4Confident84.6Confident26 Ų2677 Ų7722%0.21541%0.408CS..Hα-helixtrans-65.1-39.3178.200000112.3T24 Y25 C31 T32 L43T24-A28 WeakPolarHBondContact O-CB 3.48Å; T24-A28 PolarHBondContact O-N 3.01Å; Y25-A28 PolarHBondContact O-N 3.48Å; A28-C31 PolarHBondContact O-N 3.38Å; A28-T32 PolarHBondContact O-N 2.97Å; A28-L43 HydrophobicContact CB-CD1 3.73Å; A28-L43 HydrophobicContact CB-CD2 3.76Å; A28-L43 HydrophobicContact CB-CG 4.41Å
29C79.6Confident84.6Confident20 Ų2075 Ų7514%0.13540%0.404CS..Hα-helixtrans-69.6-36.4179.4-67.30000112.5Y25 Q26 L27 C31 T32Y25-C29 WeakPolarHBondContact O-CB 3.32Å; Y25-C29 PolarHBondContact O-N 2.97Å; Y25-C29 PolarHBondContact O-SG 3.15Å; Q26-C29 PolarHBondContact O-N 2.88Å; L27-C29 PolarHBondContact O-N 3.19Å; C29-C31 PolarHBondContact O-N 3.16Å; C29-T32 WeakPolarHBondContact O-CG2 3.34Å; C29-T32 PolarHBondContact O-N 3.06Å; C29-T32 PolarHBondContact O-OG1 2.95Å
30S79.5Confident84.6Confident73 Ų7372 Ų7251%0.5139%0.39SS..Hα-helixtrans-69.8-18.8176.3660000113.3Q26 L27 W33Q26-S30 PolarHBondContact O-N 3.39Å; Q26-S30 PolarHBondContact O-OG 2.93Å; L27-S30 PolarHBondContact O-N 3.03Å; L27-S30 PolarHBondContact O-OG 3.24Å; S30-W33 PolarHBondContact O-NE1 3.24Å
31C83.6Confident84.6Confident40 Ų4074.6 Ų74.627%0.2740%0.398SS..THydrogen-bonded Turntrans-105.815.6-178.7-56.40000113.2L27 A28 C29 W33 S34L27-C31 PolarHBondContact O-N 3.32Å; L27-C31 PolarHBondContact O-SG 3.38Å; A28-C31 PolarHBondContact O-N 3.38Å; C29-C31 PolarHBondContact O-N 3.16Å; C31-W33 VanDerWaalsContact C-N 3.27Å; C31-W33 PolarHBondContact O-N 3.37Å; C31-S34 WeakPolarHBondContact O-CB 3.41Å; C31-S34 PolarHBondContact O-N 3.39Å; C31-S34 PolarHBondContact O-OG 2.96Å
32T81.2Confident84.7Confident46 Ų4681.7 Ų81.728%0.28242%0.424SS..G310 helixtrans-54.8-38.8-174.342.60000114A28 C29 S34 L35 L118A28-T32 PolarHBondContact O-N 2.97Å; C29-T32 WeakPolarHBondContact O-CG2 3.34Å; C29-T32 PolarHBondContact O-N 3.06Å; C29-T32 PolarHBondContact O-OG1 2.95Å; T32-S34 PolarHBondContact O-N 3.02Å; T32-S34 VanDerWaalsContact O-N 3.14Å; T32-L35 PolarHBondContact O-N 3.42Å; T32-L118 HydrophobicContact CG2-CD2 3.27Å
33W81.5Confident84.9Confident218 Ų21879.3 Ų79.383%0.82641%0.414SS*.G310 helixtrans-60.3-19.7175.657.6-92.4000113.9S30 C31S30-W33 PolarHBondContact O-NE1 3.24Å; C31-W33 VanDerWaalsContact C-N 3.27Å; C31-W33 PolarHBondContact O-N 3.37Å
34S87.1Confident85.1Confident68 Ų6876.6 Ų76.648%0.47640%0.401SS..G310 helixtrans-95.2-9.3177.374.70000113.8C31 T32C31-S34 WeakPolarHBondContact O-CB 3.41Å; C31-S34 PolarHBondContact O-N 3.39Å; C31-S34 PolarHBondContact O-OG 2.96Å; T32-S34 PolarHBondContact O-N 3.02Å; T32-S34 VanDerWaalsContact O-N 3.14Å
35L85.8Confident85.5Confident48 Ų4878.1 Ų78.125%0.25140%0.403SS..SBendtrans-90.1139.2-174.4-62.2-179.4000111.7T32 Q39 V40 L43T32-L35 PolarHBondContact O-N 3.42Å; L35-Q39 HydrophobicContact CB-CB 4.16Å; L35-Q39 HydrophobicContact CD2-CB 4.34Å; L35-V40 HydrophobicContact CB-CG2 3.79Å; L35-V40 HydrophobicContact CD1-CG2 4.47Å; L35-L43 HydrophobicContact CD1-CD2 4.33Å
36K89.4Confident85.8Confident153 Ų15383.4 Ų83.467%0.66543%0.426SS*.  trans-68.1153.4169.6-63.2-179.9-178.3-179.70110A38 Q39 V40K36-A38 VanDerWaalsContact C-N 3.25Å; K36-A38 PolarHBondContact O-N 3.39Å; K36-A38 VanDerWaalsContact O-N 3.12Å; K36-Q39 HydrophobicContact CB-CG 4.36Å; K36-Q39 WeakPolarHBondContact O-CA 3.25Å; K36-Q39 WeakPolarHBondContact O-CB 3.18Å; K36-Q39 PolarHBondContact O-N 2.92Å; K36-V40 PolarHBondContact O-N 3.31Å
37P86.4Confident86.3Confident113 Ų11379.4 Ų79.473%0.73441%0.407SS*.Hα-helixtrans-50.9-41.2178-29.635.4000114.1Q39 V40 Q41P37-Q39 VanDerWaalsContact C-N 3.27Å; P37-Q39 PolarHBondContact O-N 2.93Å; P37-V40 PolarHBondContact O-N 3.34Å; P37-Q41 PolarHBondContact O-N 3.43Å
38A90.2Very high86.7Confident54 Ų5476.2 Ų76.245%0.44640%0.395SS..Hα-helixtrans-67.3-23.2176.800000114.2K36 R42K36-A38 VanDerWaalsContact C-N 3.25Å; K36-A38 PolarHBondContact O-N 3.39Å; K36-A38 VanDerWaalsContact O-N 3.12Å; A38-R42 WeakPolarHBondContact O-CG 3.17Å; A38-R42 PolarHBondContact O-N 3.41Å; A38-R42 PolarHBondContact O-NE 3.02Å
39Q90.4Very high87.2Confident84 Ų8478.5 Ų78.539%0.39341%0.409SS..Hα-helixtrans-80.8-39.5173.3-66.4172.7-63.700110.6L35 K36 P37 Q41 R42 L43L35-Q39 HydrophobicContact CB-CB 4.16Å; L35-Q39 HydrophobicContact CD2-CB 4.34Å; K36-Q39 HydrophobicContact CB-CG 4.36Å; K36-Q39 WeakPolarHBondContact O-CA 3.25Å; K36-Q39 WeakPolarHBondContact O-CB 3.18Å; K36-Q39 PolarHBondContact O-N 2.92Å; P37-Q39 VanDerWaalsContact C-N 3.27Å; P37-Q39 PolarHBondContact O-N 2.93Å; Q39-Q41 VanDerWaalsContact C-N 3.35Å; Q39-R42 PolarHBondContact O-N 2.99Å; Q39-L43 PolarHBondContact O-N 3.01Å
40V86.9Confident87.9Confident33 Ų3377.7 Ų77.720%0.240%0.404CS..Hα-helixtrans-59.9-45.8172.7178.60000110.5L35 K36 P37 R42 L43 V44L35-V40 HydrophobicContact CB-CG2 3.79Å; L35-V40 HydrophobicContact CD1-CG2 4.47Å; K36-V40 PolarHBondContact O-N 3.31Å; P37-V40 PolarHBondContact O-N 3.34Å; V40-R42 PolarHBondContact O-N 3.23Å; V40-L43 WeakPolarHBondContact O-CB 3.39Å; V40-L43 PolarHBondContact O-N 3.14Å; V40-L43 VanDerWaalsContact O-N 3.08Å; V40-V44 WeakPolarHBondContact O-CG2 3.44Å; V40-V44 PolarHBondContact O-N 2.51Å
41Q88.2Confident88.4Confident123 Ų12374.3 Ų74.358%0.57538%0.381SS*.Hα-helixtrans-59.4-44.7176.5-175.2174.32.100112.4P37 Q39 L43 V44 E45P37-Q41 PolarHBondContact O-N 3.43Å; Q39-Q41 VanDerWaalsContact C-N 3.35Å; Q41-L43 VanDerWaalsContact C-N 3.28Å; Q41-L43 PolarHBondContact O-N 2.89Å; Q41-V44 WeakPolarHBondContact O-CB 3.39Å; Q41-V44 PolarHBondContact O-N 2.66Å; Q41-E45 WeakPolarHBondContact O-CG 3.41Å; Q41-E45 PolarHBondContact O-N 3.02Å
42R90.3Very high88.8Confident164 Ų16476.6 Ų76.662%0.61939%0.393SS*.Hα-helixtrans-60.7-38.3174.1-76.5-176.7-125.1-166.6-4.8112.3A38 Q39 V40 E45 K46A38-R42 WeakPolarHBondContact O-CG 3.17Å; A38-R42 PolarHBondContact O-N 3.41Å; A38-R42 PolarHBondContact O-NE 3.02Å; Q39-R42 PolarHBondContact O-N 2.99Å; V40-R42 PolarHBondContact O-N 3.23Å; R42-E45 PolarHBondContact O-N 3.38Å; R42-K46 VanDerWaalsContact O-CG 3.25Å; R42-K46 WeakPolarHBondContact O-CG 3.38Å; R42-K46 PolarHBondContact O-N 2.61Å
43L89.7Confident89.4Confident18 Ų1879 Ų799%0.09440%0.398CS..Hα-helixtrans-64.2-45.4176.6-178.861.8000110.9Y25 A28 L35 Q39 V40 Q41 E45 K46 I47 L118Y25-L43 HydrophobicContact CD1-CD1 4.07Å; A28-L43 HydrophobicContact CB-CD1 3.73Å; A28-L43 HydrophobicContact CB-CD2 3.76Å; A28-L43 HydrophobicContact CB-CG 4.41Å; L35-L43 HydrophobicContact CD1-CD2 4.33Å; Q39-L43 PolarHBondContact O-N 3.01Å; V40-L43 WeakPolarHBondContact O-CB 3.39Å; V40-L43 PolarHBondContact O-N 3.14Å; V40-L43 VanDerWaalsContact O-N 3.08Å; Q41-L43 VanDerWaalsContact C-N 3.28Å; Q41-L43 PolarHBondContact O-N 2.89Å; L43-E45 VanDerWaalsContact C-N 3.34Å; L43-E45 PolarHBondContact O-N 3.21Å; L43-K46 PolarHBondContact O-N 3.46Å; L43-K46 VanDerWaalsContact O-N 3.16Å; L43-I47 HydrophobicContact CD1-CD1 4Å; L43-I47 HydrophobicContact CD1-CG1 4.27Å; L43-I47 HydrophobicContact CG-CD1 3.86Å; L43-I47 WeakPolarHBondContact O-CG1 3.37Å; L43-I47 PolarHBondContact O-N 3.48Å; L43-L118 HydrophobicContact CD2-CD1 3.75Å; L43-L118 HydrophobicContact CD2-CD2 3.91Å; L43-L118 HydrophobicContact CG-CD1 3.81Å
44V88.6Confident89.9Confident25 Ų2568.7 Ų68.715%0.15236%0.359CS..Hα-helixtrans-57.4-45174.8169.80000111.6V40 Q41 K46 I47 S48 L115 L118V40-V44 WeakPolarHBondContact O-CG2 3.44Å; V40-V44 PolarHBondContact O-N 2.51Å; Q41-V44 WeakPolarHBondContact O-CB 3.39Å; Q41-V44 PolarHBondContact O-N 2.66Å; V44-K46 PolarHBondContact O-N 3.21Å; V44-I47 PolarHBondContact O-N 3.3Å; V44-S48 WeakPolarHBondContact O-CB 3.43Å; V44-S48 PolarHBondContact O-N 2.79Å; V44-S48 PolarHBondContact O-OG 2.72Å; V44-L115 HydrophobicContact CB-CD2 4.45Å; V44-L115 HydrophobicContact CG1-CD2 4.03Å; V44-L118 HydrophobicContact CG2-CB 3.94Å; V44-L118 HydrophobicContact CG2-CD1 3.98Å
45E90.5Very high90.1Very high110 Ų11071.4 Ų71.451%0.51436%0.358SS..Hα-helixtrans-61.1-42.4176-72.4168.9-171.800111.9Q41 R42 L43 S48 S49Q41-E45 WeakPolarHBondContact O-CG 3.41Å; Q41-E45 PolarHBondContact O-N 3.02Å; R42-E45 PolarHBondContact O-N 3.38Å; L43-E45 VanDerWaalsContact C-N 3.34Å; L43-E45 PolarHBondContact O-N 3.21Å; E45-S48 PolarHBondContact O-N 2.9Å; E45-S49 WeakPolarHBondContact O-CB 3.42Å; E45-S49 PolarHBondContact O-N 3.07Å
46K91.3Very high90.4Very high134 Ų13471.9 Ų71.958%0.58337%0.37SS*.Hα-helixtrans-66.8-43.7178.8-70.7-66.2178.2-171.90112.5Y25 R42 L43 V44 S48 S49 A50Y25-K46 HydrophobicContact CE1-CB 4.26Å; Y25-K46 PolarHBondContact OH-O 3.43Å; R42-K46 VanDerWaalsContact O-CG 3.25Å; R42-K46 WeakPolarHBondContact O-CG 3.38Å; R42-K46 PolarHBondContact O-N 2.61Å; L43-K46 PolarHBondContact O-N 3.46Å; L43-K46 VanDerWaalsContact O-N 3.16Å; V44-K46 PolarHBondContact O-N 3.21Å; K46-S48 VanDerWaalsContact C-N 3.33Å; K46-S49 WeakPolarHBondContact O-CB 3.42Å; K46-S49 PolarHBondContact O-N 3.05Å; K46-A50 PolarHBondContact O-N 3.01Å
47I90.3Very high90.5Very high0 Ų065.6 Ų65.60%034%0.343CS..Hα-helixtrans-66.3-39.3177.6-62.7165.3000110.2Y25 L43 V44 S49 A50 S51 L111 Q114 L115 L118Y25-I47 HydrophobicContact CD1-CG1 4.31Å; Y25-I47 HydrophobicContact CD2-CG1 3.75Å; Y25-I47 HydrophobicContact CE1-CG1 4.49Å; Y25-I47 HydrophobicContact CE2-CB 4.46Å; Y25-I47 HydrophobicContact CE2-CG1 3.9Å; Y25-I47 HydrophobicContact CG-CG1 3.98Å; L43-I47 HydrophobicContact CD1-CD1 4Å; L43-I47 HydrophobicContact CD1-CG1 4.27Å; L43-I47 HydrophobicContact CG-CD1 3.86Å; L43-I47 WeakPolarHBondContact O-CG1 3.37Å; L43-I47 PolarHBondContact O-N 3.48Å; V44-I47 PolarHBondContact O-N 3.3Å; I47-S49 VanDerWaalsContact C-N 3.34Å; I47-S49 PolarHBondContact O-N 3.19Å; I47-A50 WeakPolarHBondContact O-CB 3.47Å; I47-A50 PolarHBondContact O-N 2.69Å; I47-A50 VanDerWaalsContact O-N 3.14Å; I47-S51 PolarHBondContact O-N 3.25Å; I47-S51 PolarHBondContact O-OG 2.8Å; I47-L111 HydrophobicContact CG2-CB 4.03Å; I47-L111 HydrophobicContact CG2-CD2 3.84Å; I47-Q114 HydrophobicContact CD1-CB 4.27Å; I47-L115 HydrophobicContact CB-CD2 3.74Å; I47-L115 HydrophobicContact CB-CG 4.12Å; I47-L115 HydrophobicContact CG2-CD1 4.05Å; I47-L115 HydrophobicContact CG2-CD2 3.73Å; I47-L115 HydrophobicContact CG2-CG 3.5Å; I47-L115 VanDerWaalsContact CG2-CG 3.5Å; I47-L118 HydrophobicContact CD1-CD1 3.44Å; I47-L118 VanDerWaalsContact CD1-CD1 3.44Å
48S89.4Confident90.7Very high50 Ų5060.8 Ų60.835%0.3531%0.311SS..Hα-helixtrans-63.2-38.9174.6-64.90000112.2V44 E45 K46 S51 T52V44-S48 WeakPolarHBondContact O-CB 3.43Å; V44-S48 PolarHBondContact O-N 2.79Å; V44-S48 PolarHBondContact O-OG 2.72Å; E45-S48 PolarHBondContact O-N 2.9Å; K46-S48 VanDerWaalsContact C-N 3.33Å; S48-S51 PolarHBondContact O-N 3.15Å; S48-T52 PolarHBondContact O-N 3.47Å; S48-T52 VanDerWaalsContact O-N 3.08Å; S48-T52 PolarHBondContact O-OG1 3.08Å
49S92.2Very high90.8Very high75 Ų7565.1 Ų65.152%0.52432%0.32SS..Hα-helixtrans-62.9-40.5171.7-174.10000111.9E45 K46 I47 T52 Y53E45-S49 WeakPolarHBondContact O-CB 3.42Å; E45-S49 PolarHBondContact O-N 3.07Å; K46-S49 WeakPolarHBondContact O-CB 3.42Å; K46-S49 PolarHBondContact O-N 3.05Å; I47-S49 VanDerWaalsContact C-N 3.34Å; I47-S49 PolarHBondContact O-N 3.19Å; S49-T52 WeakPolarHBondContact O-CB 3.39Å; S49-T52 PolarHBondContact O-N 2.98Å; S49-Y53 PolarHBondContact O-N 2.67Å
50A93.1Very high90.9Very high2 Ų262.7 Ų62.72%0.01731%0.314CS..Hα-helixtrans-62.2-42.2173.700000112.5F21 Y25 K46 I47 T52 Y53 Y54 L111F21-A50 HydrophobicContact CD1-CB 3.5Å; F21-A50 HydrophobicContact CE1-CB 3.31Å; F21-A50 HydrophobicContact CG-CB 4.46Å; F21-A50 HydrophobicContact CZ-CB 4.16Å; Y25-A50 HydrophobicContact CE2-CB 3.81Å; K46-A50 PolarHBondContact O-N 3.01Å; I47-A50 WeakPolarHBondContact O-CB 3.47Å; I47-A50 PolarHBondContact O-N 2.69Å; I47-A50 VanDerWaalsContact O-N 3.14Å; A50-T52 VanDerWaalsContact C-N 3.26Å; A50-T52 PolarHBondContact O-N 2.85Å; A50-Y53 WeakPolarHBondContact O-CB 3.48Å; A50-Y53 PolarHBondContact O-N 3.1Å; A50-Y54 PolarHBondContact O-N 2.82Å; A50-L111 HydrophobicContact CB-CD1 3.9Å; A50-L111 HydrophobicContact CB-CD2 3.95Å
51S90.2Very high91Very high3 Ų361.2 Ų61.22%0.02131%0.305CS..Hα-helixtrans-62.4-36.7174.5-54.20000111.8I47 S48 R55 L108I47-S51 PolarHBondContact O-N 3.25Å; I47-S51 PolarHBondContact O-OG 2.8Å; S48-S51 PolarHBondContact O-N 3.15Å; S51-R55 WeakPolarHBondContact O-CG 3.32Å; S51-R55 PolarHBondContact O-N 3.38Å; S51-R55 VanDerWaalsContact O-N 3.12Å; S51-L108 WeakPolarHBondContact O-CD2 3.32Å
52T91.9Very high91.1Very high87 Ų8755.3 Ų55.353%0.53428%0.278SS..Hα-helixtrans-67.7-41.8176.2-55.80000111.4S48 S49 A50 R55 A56S48-T52 PolarHBondContact O-N 3.47Å; S48-T52 VanDerWaalsContact O-N 3.08Å; S48-T52 PolarHBondContact O-OG1 3.08Å; S49-T52 WeakPolarHBondContact O-CB 3.39Å; S49-T52 PolarHBondContact O-N 2.98Å; A50-T52 VanDerWaalsContact C-N 3.26Å; A50-T52 PolarHBondContact O-N 2.85Å; T52-R55 PolarHBondContact O-N 3.26Å; T52-A56 WeakPolarHBondContact O-CB 3.36Å; T52-A56 PolarHBondContact O-N 2.89Å
53Y94Very high91.2Very high97 Ų9751.2 Ų51.238%0.3827%0.274SS..Hα-helixtrans-55.9-51.9173.9167.8-95.3000111.4F21 S49 A50 R55 A56 L57F21-Y53 AromaticContact CE2-CD1 3.94Å; F21-Y53 HydrophobicContact CE2-CD1 3.94Å; F21-Y53 AromaticContact CE2-CE1 3.94Å; F21-Y53 HydrophobicContact CE2-CE1 3.94Å; F21-Y53 AromaticContact CZ-CD1 3.78Å; F21-Y53 HydrophobicContact CZ-CD1 3.78Å; F21-Y53 HydrophobicContact CZ-CE1 4.15Å; F21-Y53 HydrophobicContact CZ-CG 4.32Å; S49-Y53 PolarHBondContact O-N 2.67Å; A50-Y53 WeakPolarHBondContact O-CB 3.48Å; A50-Y53 PolarHBondContact O-N 3.1Å; Y53-R55 PolarHBondContact O-N 2.89Å; Y53-A56 PolarHBondContact O-N 2.84Å; Y53-L57 HydrophobicContact CE1-CD2 4.1Å; Y53-L57 WeakPolarHBondContact O-CB 3.25Å; Y53-L57 PolarHBondContact O-N 3.39Å
54Y92.3Very high91.1Very high1 Ų154.7 Ų54.70%0.00429%0.289CS..Hα-helixtrans-64.1-38.9-179.7-89.4-75.4000112.7E13 W17 F21 A50 A56 L57 M58 A104 H107 L111E13-Y54 PolarHBondContact OE1-OH 3.38Å; W17-Y54 WeakPolarHBondContact CB-OH 3.35Å; W17-Y54 AromaticContact CE3-CE2 3.66Å; W17-Y54 HydrophobicContact CE3-CE2 3.66Å; W17-Y54 AromaticContact CE3-CZ 3.76Å; W17-Y54 VanDerWaalsContact CE3-OH 3.31Å; W17-Y54 AromaticContact CZ3-CE2 3.9Å; W17-Y54 HydrophobicContact CZ3-CE2 3.9Å; F21-Y54 AromaticContact CD2-CE2 3.7Å; F21-Y54 HydrophobicContact CD2-CE2 3.7Å; F21-Y54 HydrophobicContact CE2-CD2 4.49Å; F21-Y54 AromaticContact CE2-CE2 3.67Å; F21-Y54 HydrophobicContact CE2-CE2 3.67Å; F21-Y54 HydrophobicContact CG-CE2 4.49Å; F21-Y54 HydrophobicContact CZ-CE2 4.43Å; A50-Y54 PolarHBondContact O-N 2.82Å; Y54-A56 PolarHBondContact O-N 3.42Å; Y54-L57 HydrophobicContact CD1-CD2 4.15Å; Y54-L57 HydrophobicContact CE1-CD2 4.2Å; Y54-L57 WeakPolarHBondContact O-CB 3.31Å; Y54-L57 PolarHBondContact O-N 3.08Å; Y54-M58 VanDerWaalsContact O-CG 3.23Å; Y54-M58 WeakPolarHBondContact O-CG 3.45Å; Y54-M58 PolarHBondContact O-N 2.96Å; Y54-A104 HydrophobicContact CD1-CB 3.92Å; Y54-A104 HydrophobicContact CE1-CB 4.48Å; Y54-H107 HydrophobicContact CD1-CB 4.38Å; Y54-H107 HydrophobicContact CD2-CB 4.44Å; Y54-H107 HydrophobicContact CE1-CB 4.06Å; Y54-H107 AromaticContact CE1-CD2 3.65Å; Y54-H107 HydrophobicContact CE2-CB 4.13Å; Y54-H107 AromaticContact CZ-CD2 3.67Å; Y54-H107 PolarHBondContact OH-CD2 3.28Å; Y54-L111 HydrophobicContact CD2-CD1 4.01Å
55R90.7Very high91.2Very high125 Ų12554.2 Ų54.247%0.47229%0.287SS..Hα-helixtrans-62.9-40.5174.4-71.2-178.1-170.9109.1-0.9112.5S51 T52 Y53 K59 L108S51-R55 WeakPolarHBondContact O-CG 3.32Å; S51-R55 PolarHBondContact O-N 3.38Å; S51-R55 VanDerWaalsContact O-N 3.12Å; T52-R55 PolarHBondContact O-N 3.26Å; Y53-R55 PolarHBondContact O-N 2.89Å; R55-K59 WeakPolarHBondContact O-CG 3.44Å; R55-K59 PolarHBondContact O-N 2.99Å; R55-L108 HydrophobicContact CG-CD1 4.18Å; R55-L108 HydrophobicContact CG-CD2 4.24Å
56A92.3Very high91.1Very high59 Ų5950.8 Ų50.849%0.48828%0.275SS..Hα-helixtrans-66.9-40.3175.300000111.4T52 Y53 Y54 K59 A60T52-A56 WeakPolarHBondContact O-CB 3.36Å; T52-A56 PolarHBondContact O-N 2.89Å; Y53-A56 PolarHBondContact O-N 2.84Å; Y54-A56 PolarHBondContact O-N 3.42Å; A56-K59 PolarHBondContact O-N 3.22Å; A56-A60 PolarHBondContact O-N 3.32Å
57L91.7Very high90.9Very high20 Ų2051.2 Ų51.211%0.10528%0.279CS..Hα-helixtrans-59.2-49.4176.2-166.765.7000111.3M1 Y53 Y54 K59 A60 I61M1-L57 HydrophobicContact CE-CD1 3.22Å; M1-L57 HydrophobicContact CE-CD2 3.96Å; M1-L57 HydrophobicContact CE-CG 3.69Å; M1-L57 HydrophobicContact SD-CD1 4.07Å; M1-L57 HydrophobicContact SD-CD2 4.07Å; M1-L57 HydrophobicContact SD-CG 4.44Å; Y53-L57 HydrophobicContact CE1-CD2 4.1Å; Y53-L57 WeakPolarHBondContact O-CB 3.25Å; Y53-L57 PolarHBondContact O-N 3.39Å; Y54-L57 HydrophobicContact CD1-CD2 4.15Å; Y54-L57 HydrophobicContact CE1-CD2 4.2Å; Y54-L57 WeakPolarHBondContact O-CB 3.31Å; Y54-L57 PolarHBondContact O-N 3.08Å; L57-K59 PolarHBondContact O-N 2.99Å; L57-A60 PolarHBondContact O-N 2.93Å; L57-I61 HydrophobicContact CG-CD1 4.14Å; L57-I61 VanDerWaalsContact O-CG1 3.31Å; L57-I61 WeakPolarHBondContact O-CG1 3.38Å; L57-I61 PolarHBondContact O-N 3.01Å
58M91.4Very high90.6Very high12 Ų1257.3 Ų57.36%0.05931%0.308CS..Hα-helixtrans-54.8-52.4176.4-71.617073.600110.9Y54 A60 I61 A62 M101 A104 Y105 L108Y54-M58 VanDerWaalsContact O-CG 3.23Å; Y54-M58 WeakPolarHBondContact O-CG 3.45Å; Y54-M58 PolarHBondContact O-N 2.96Å; M58-A60 VanDerWaalsContact C-N 3.3Å; M58-A60 PolarHBondContact O-N 3.45Å; M58-I61 PolarHBondContact O-N 3.46Å; M58-A62 WeakPolarHBondContact O-CB 3.41Å; M58-A62 PolarHBondContact O-N 3.02Å; M58-M101 HydrophobicContact CB-CE 4.01Å; M58-M101 HydrophobicContact CB-SD 3.66Å; M58-M101 HydrophobicContact CE-SD 3.76Å; M58-M101 HydrophobicContact CG-SD 3.67Å; M58-M101 WeakPolarHBondContact O-CE 3.42Å; M58-A104 HydrophobicContact CG-CB 3.61Å; M58-A104 HydrophobicContact SD-CB 3.93Å; M58-Y105 HydrophobicContact CE-CD1 4.05Å; M58-Y105 HydrophobicContact CE-CD2 3.98Å; M58-Y105 HydrophobicContact CE-CE1 3.59Å; M58-Y105 HydrophobicContact CE-CE2 3.5Å; M58-Y105 VanDerWaalsContact CE-CE2 3.5Å; M58-Y105 HydrophobicContact CE-CG 4.23Å; M58-L108 HydrophobicContact SD-CD1 3.48Å; M58-L108 WeakPolarHBondContact SD-CD1 3.48Å
59K91Very high90.5Very high145 Ų14555.1 Ų55.163%0.6329%0.292SS*.Hα-helixtrans-55.9-43.6177.8-71.2-180179.8-175.10112.6R55 A56 L57 S63 L74R55-K59 WeakPolarHBondContact O-CG 3.44Å; R55-K59 PolarHBondContact O-N 2.99Å; A56-K59 PolarHBondContact O-N 3.22Å; L57-K59 PolarHBondContact O-N 2.99Å; K59-S63 PolarHBondContact O-N 2.98Å; K59-L74 HydrophobicContact CG-CD2 4.5Å
60A92.3Very high90.3Very high34 Ų3456.4 Ų56.428%0.28129%0.285SS..Hα-helixtrans-66.6-37.9-179.800000112.7L2 A56 L57 M58 S63L2-A60 HydrophobicContact CD1-CB 4.16Å; A56-A60 PolarHBondContact O-N 3.32Å; L57-A60 PolarHBondContact O-N 2.93Å; M58-A60 VanDerWaalsContact C-N 3.3Å; M58-A60 PolarHBondContact O-N 3.45Å; A60-S63 PolarHBondContact O-OG 3.15Å
61I90.8Very high89.7Confident1 Ų160.7 Ų60.71%0.00531%0.305CS..Hα-helixtrans-71.7-47.8176.1-61171000110.5M1 L2 L57 M58 S63 K64 F96 T97 I100M1-I61 HydrophobicContact CE-CD1 3.48Å; M1-I61 VanDerWaalsContact CE-CD1 3.48Å; M1-I61 HydrophobicContact CE-CG1 3.75Å; L2-I61 HydrophobicContact CD2-CG1 3.66Å; L57-I61 HydrophobicContact CG-CD1 4.14Å; L57-I61 VanDerWaalsContact O-CG1 3.31Å; L57-I61 WeakPolarHBondContact O-CG1 3.38Å; L57-I61 PolarHBondContact O-N 3.01Å; M58-I61 PolarHBondContact O-N 3.46Å; I61-S63 PolarHBondContact O-N 2.87Å; I61-K64 WeakPolarHBondContact O-CB 3.33Å; I61-K64 PolarHBondContact O-N 3.2Å; I61-F96 HydrophobicContact CG2-CD1 4.35Å; I61-F96 HydrophobicContact CG2-CE1 4.17Å; I61-T97 HydrophobicContact CG2-CG2 3.76Å; I61-I100 HydrophobicContact CD1-CB 3.63Å; I61-I100 HydrophobicContact CD1-CG1 4.2Å; I61-I100 HydrophobicContact CD1-CG2 3.13Å
62A89.7Confident89.1Confident0 Ų061.6 Ų61.60%031%0.309CS..Hα-helixtrans-57.1-34.4179.300000112.5M58 K64 A65 R70 L74 M101M58-A62 WeakPolarHBondContact O-CB 3.41Å; M58-A62 PolarHBondContact O-N 3.02Å; A62-K64 PolarHBondContact O-N 3.3Å; A62-K64 VanDerWaalsContact O-N 3.15Å; A62-A65 PolarHBondContact O-N 3.35Å; A62-R70 HydrophobicContact CB-CG 4.09Å; A62-R70 WeakPolarHBondContact O-CB 3.45Å; A62-R70 WeakPolarHBondContact O-CG 3.48Å; A62-L74 HydrophobicContact CB-CD1 3.53Å; A62-L74 HydrophobicContact CB-CD2 3.94Å; A62-L74 HydrophobicContact CB-CG 3.61Å; A62-M101 HydrophobicContact CB-CE 3.25Å
63S91.3Very high88.7Confident78 Ų7857.4 Ų57.455%0.54528%0.284SS..THydrogen-bonded Turntrans-63.3-16.3176.370.70000114.7K59 A60 I61K59-S63 PolarHBondContact O-N 2.98Å; A60-S63 PolarHBondContact O-OG 3.15Å; I61-S63 PolarHBondContact O-N 2.87Å
64K89.3Confident88Confident91 Ų9156.3 Ų56.340%0.39628%0.284SS..THydrogen-bonded Turntrans-96.8-12.4177.9-62.5-169.6173.1-149.60113.5L2 I61 A62 Q93L2-K64 PolarHBondContact O-NZ 2.89Å; I61-K64 WeakPolarHBondContact O-CB 3.33Å; I61-K64 PolarHBondContact O-N 3.2Å; A62-K64 PolarHBondContact O-N 3.3Å; A62-K64 VanDerWaalsContact O-N 3.15Å; K64-Q93 HydrophobicContact CB-CG 4.35Å; K64-Q93 WeakPolarHBondContact O-CG 3.37Å
65A89.2Confident86.6Confident14 Ų1459.5 Ų59.512%0.11630%0.304CS..SBendtrans-81.8168.717900000111.7A62 V69 D94 T97A62-A65 PolarHBondContact O-N 3.35Å; A65-V69 HydrophobicContact CB-CB 4.08Å; A65-V69 HydrophobicContact CB-CG1 3.9Å; A65-D94 WeakPolarHBondContact CA-OD1 3.41Å; A65-D94 WeakPolarHBondContact CB-OD1 3.49Å; A65-T97 HydrophobicContact CB-CG2 3.83Å
66S89.9Confident85Confident38 Ų3854 Ų5427%0.26629%0.286SS..  trans-55.1155.1165.767.40000111.2E68 V69 R70 D94S66-E68 PolarHBondContact O-N 3.24Å; S66-V69 PolarHBondContact O-N 3.29Å; S66-V69 PolarHBondContact OG-N 2.85Å; S66-R70 WeakPolarHBondContact O-CB 3.39Å; S66-R70 PolarHBondContact O-N 3Å; S66-D94 WeakPolarHBondContact CB-OD2 3.34Å; S66-D94 PolarHBondContact N-OD1 3.25Å; S66-D94 PolarHBondContact OG-OD1 3.23Å; S66-D94 PolarHBondContact OG-OD2 3.23Å
67E87.2Confident83.1Confident143 Ų14353.3 Ų53.367%0.66828%0.276SS*.Hα-helixtrans-57.9-37.6178.8176.8158.8-134.600112.4R70 H71E67-R70 IonicContact OE1-NH2 2.86Å; E67-R70 PolarHBondContact OE1-NH2 2.89Å; E67-H71 WeakPolarHBondContact O-CB 3.43Å; E67-H71 PolarHBondContact O-N 3.3Å
68E84Confident80.8Confident129 Ų12955 Ų5560%0.60329%0.288SS*.Hα-helixtrans-57.9-63.7174.3-174.6177.3-17900110.3S66 R70 H71 L72S66-E68 PolarHBondContact O-N 3.24Å; E68-R70 VanDerWaalsContact C-N 3.28Å; E68-R70 PolarHBondContact O-N 3.36Å; E68-H71 WeakPolarHBondContact O-CA 3.46Å; E68-H71 WeakPolarHBondContact O-CB 3.44Å; E68-H71 PolarHBondContact O-N 2.97Å; E68-L72 HydrophobicContact CG-CD1 4.35Å; E68-L72 VanDerWaalsContact O-CG 3.28Å; E68-L72 WeakPolarHBondContact O-CG 3.49Å; E68-L72 PolarHBondContact O-N 3.19Å
69V86.7Confident78.7Confident4 Ų454.7 Ų54.72%0.02429%0.287CS..Hα-helixtrans-60.7-37.3-177.9171.30000112.2A65 S66 H71 L72 T73 D94 T97 L98A65-V69 HydrophobicContact CB-CB 4.08Å; A65-V69 HydrophobicContact CB-CG1 3.9Å; S66-V69 PolarHBondContact O-N 3.29Å; S66-V69 PolarHBondContact OG-N 2.85Å; V69-H71 VanDerWaalsContact C-N 3.33Å; V69-H71 PolarHBondContact O-N 3.48Å; V69-L72 PolarHBondContact O-N 3.41Å; V69-T73 HydrophobicContact CG1-CG2 4.07Å; V69-T73 WeakPolarHBondContact O-CB 3.42Å; V69-T73 VanDerWaalsContact O-CG2 3.24Å; V69-T73 WeakPolarHBondContact O-CG2 2.88Å; V69-T73 PolarHBondContact O-N 3.11Å; V69-T73 PolarHBondContact O-OG1 2.99Å; V69-D94 HydrophobicContact CB-CB 4.47Å; V69-D94 HydrophobicContact CG2-CB 3.9Å; V69-D94 WeakPolarHBondContact CG2-OD2 3.23Å; V69-T97 HydrophobicContact CG1-CG2 3.94Å; V69-L98 HydrophobicContact CG1-CD2 3.83Å; V69-L98 HydrophobicContact CG1-CG 4.17Å
70R87.5Confident76.9Confident101 Ų10149.5 Ų49.538%0.38127%0.266SS..Hα-helixtrans-58.6-44.6173.8178.917869179.40.9111.7A62 S66 E67 E68 T73 L74A62-R70 HydrophobicContact CB-CG 4.09Å; A62-R70 WeakPolarHBondContact O-CB 3.45Å; A62-R70 WeakPolarHBondContact O-CG 3.48Å; S66-R70 WeakPolarHBondContact O-CB 3.39Å; S66-R70 PolarHBondContact O-N 3Å; E67-R70 IonicContact OE1-NH2 2.86Å; E67-R70 PolarHBondContact OE1-NH2 2.89Å; E68-R70 VanDerWaalsContact C-N 3.28Å; E68-R70 PolarHBondContact O-N 3.36Å; R70-T73 PolarHBondContact O-OG1 3.48Å; R70-L74 HydrophobicContact CG-CD1 4.22Å; R70-L74 WeakPolarHBondContact O-CB 3.49Å; R70-L74 PolarHBondContact O-N 2.91Å
71H81.4Confident75.5Confident93 Ų9351 Ų5143%0.43127%0.265SS..Hα-helixtrans-63.8-53176.3-174.577.5000110.2E67 E68 V69 T73 L74 T75E67-H71 WeakPolarHBondContact O-CB 3.43Å; E67-H71 PolarHBondContact O-N 3.3Å; E68-H71 WeakPolarHBondContact O-CA 3.46Å; E68-H71 WeakPolarHBondContact O-CB 3.44Å; E68-H71 PolarHBondContact O-N 2.97Å; V69-H71 VanDerWaalsContact C-N 3.33Å; V69-H71 PolarHBondContact O-N 3.48Å; H71-T73 PolarHBondContact O-N 3.29Å; H71-T73 VanDerWaalsContact O-N 3.15Å; H71-L74 PolarHBondContact O-N 3.48Å; H71-T75 PolarHBondContact O-N 3.16Å; H71-T75 VanDerWaalsContact O-N 3.16Å; H71-T75 PolarHBondContact O-OG1 3.1Å
72L77.5Confident74.1Confident21 Ų2151.8 Ų51.811%0.1127%0.268CS..Hα-helixtrans-59.5-32.3-176.7-47.3-173.3000113.6E68 V69 R81 I85E68-L72 HydrophobicContact CG-CD1 4.35Å; E68-L72 VanDerWaalsContact O-CG 3.28Å; E68-L72 WeakPolarHBondContact O-CG 3.49Å; E68-L72 PolarHBondContact O-N 3.19Å; V69-L72 PolarHBondContact O-N 3.41Å; L72-R81 VanDerWaalsContact CD1-NH1 3.26Å; L72-I85 HydrophobicContact CB-CD1 4.27Å; L72-I85 HydrophobicContact CD1-CD1 3.86Å; L72-I85 HydrophobicContact CD1-CG1 4.05Å; L72-I85 HydrophobicContact CD1-CG2 3.75Å
73T82.6Confident73Confident0 Ų056.8 Ų56.80%029%0.294CS..Hα-helixtrans-85.7-25.7-17652.50000114.2V69 R70 H71 T97 L98 M101 Y105 L140V69-T73 HydrophobicContact CG1-CG2 4.07Å; V69-T73 WeakPolarHBondContact O-CB 3.42Å; V69-T73 VanDerWaalsContact O-CG2 3.24Å; V69-T73 WeakPolarHBondContact O-CG2 2.88Å; V69-T73 PolarHBondContact O-N 3.11Å; V69-T73 PolarHBondContact O-OG1 2.99Å; R70-T73 PolarHBondContact O-OG1 3.48Å; H71-T73 PolarHBondContact O-N 3.29Å; H71-T73 VanDerWaalsContact O-N 3.15Å; T73-T97 HydrophobicContact CG2-CG2 4.41Å; T73-L98 HydrophobicContact CG2-CD2 3.56Å; T73-M101 HydrophobicContact CG2-CB 3.94Å; T73-M101 HydrophobicContact CG2-CG 3.7Å; T73-Y105 WeakPolarHBondContact O-CE2 3.21Å; T73-Y105 PolarHBondContact O-OH 3.3Å; T73-L140 HydrophobicContact CG2-CD2 4.12Å
74L79.1Confident72.1Confident73 Ų7356.2 Ų56.238%0.38229%0.289SS..Hα-helixtrans-104.5-26.6-173.8-70.7-176.9000115.2K59 A62 R70 H71 G76 M101K59-L74 HydrophobicContact CG-CD2 4.5Å; A62-L74 HydrophobicContact CB-CD1 3.53Å; A62-L74 HydrophobicContact CB-CD2 3.94Å; A62-L74 HydrophobicContact CB-CG 3.61Å; R70-L74 HydrophobicContact CG-CD1 4.22Å; R70-L74 WeakPolarHBondContact O-CB 3.49Å; R70-L74 PolarHBondContact O-N 2.91Å; H71-L74 PolarHBondContact O-N 3.48Å; L74-G76 PolarHBondContact O-N 3.43Å; L74-M101 HydrophobicContact CD2-CE 4.04Å
75T63Low71.6Confident68 Ų6853 Ų5342%0.41728%0.276SS..SBendtrans-78.4-1.7-176.550.30000113.5H71H71-T75 PolarHBondContact O-N 3.16Å; H71-T75 VanDerWaalsContact O-N 3.16Å; H71-T75 PolarHBondContact O-OG1 3.1Å
76G57Low70.9Confident9 Ų957.8 Ų57.89%0.09331%0.309CS..  trans62.9169.9-162.100000110.1L74 V78L74-G76 PolarHBondContact O-N 3.43Å; G76-V78 PolarHBondContact O-N 3.48Å
77P52Low70.4Confident45 Ų4557.3 Ų57.329%0.29230%0.303SS..  trans-61.9115.5174.326.3-33000109.5G79 C136 N139P77-G79 WeakPolarHBondContact CB-O 3.32Å; P77-G79 PolarHBondContact O-N 3.45Å; P77-C136 WeakPolarHBondContact CD-SG 3.4Å; P77-N139 HydrophobicContact CB-CB 4.3Å; P77-N139 VanDerWaalsContact CB-ND2 3.25Å; P77-N139 WeakPolarHBondContact CB-ND2 3.23Å; P77-N139 VanDerWaalsContact CG-ND2 3.34Å; P77-N139 WeakPolarHBondContact CG-ND2 3.33Å
78V43.9Very low69.8Low56 Ų5659 Ų5934%0.33931%0.308SS..SBendtrans-69.9-16.5162.4-168.50000110.1G76 E497 C500G76-V78 PolarHBondContact O-N 3.48Å; V78-E497 HydrophobicContact CB-CG 3.79Å; V78-E497 WeakPolarHBondContact CB-OE1 3.48Å; V78-E497 HydrophobicContact CG1-CB 3.88Å; V78-E497 VanDerWaalsContact CG1-CD 3.4Å; V78-E497 HydrophobicContact CG1-CG 3.55Å; V78-C500 PolarHBondContact O-SG 3.42Å
79G47.2Very low68.9Low5 Ų559.8 Ų59.85%0.05232%0.316CS..SBendtrans-161.5160.2166.300000109P77P77-G79 WeakPolarHBondContact CB-O 3.32Å; P77-G79 PolarHBondContact O-N 3.45Å
80N54.3Low68.2Low36 Ų3667 Ų6719%0.19336%0.355CS..  trans-69.8134.6176.9-66.1-59.6000109.6N139 V483 C495N80-N139 WeakPolarHBondContact CA-OD1 3.13Å; N80-N139 WeakPolarHBondContact CB-OD1 3.36Å; N80-N139 PolarHBondContact OD1-ND2 2.69Å; N80-N139 PolarHBondContact OD1-OD1 2.97Å; N80-V483 HydrophobicContact CB-CG1 3.72Å; N80-V483 WeakPolarHBondContact ND2-CG1 3.49Å; N80-C495 CarbonylContact O-C 3.47Å; N80-C495 VanDerWaalsContact O-CB 3.22Å; N80-C495 WeakPolarHBondContact O-CB 3.31Å; N80-C495 VanDerWaalsContact O-O 3.12Å; N80-C495 PolarHBondContact O-SG 3.41Å
81R61.7Low67.9Low67 Ų6764.9 Ų64.925%0.25335%0.351SS..  trans-110.9130.3-179.2-73.1-174.1-128.8-146.4-3.9110.2L72 N139L72-R81 VanDerWaalsContact CD1-NH1 3.26Å; R81-N139 PolarHBondContact N-OD1 3.42Å
82W61.9Low68.1Low16 Ų1662.7 Ų62.76%0.06134%0.344CS..  trans-99.6-28.1-174.4-71-8.5000113P142 A478 D482 V483 Y486 F493 C495W82-P142 VanDerWaalsContact O-CG 3.27Å; W82-P142 WeakPolarHBondContact O-CG 3.41Å; W82-A478 HydrophobicContact CH2-CB 3.46Å; W82-A478 VanDerWaalsContact CH2-CB 3.46Å; W82-A478 HydrophobicContact CZ2-CB 3.65Å; W82-A478 HydrophobicContact CZ3-CB 4.17Å; W82-D482 HydrophobicContact CH2-CB 4.16Å; W82-D482 HydrophobicContact CZ2-CB 4.39Å; W82-D482 VanDerWaalsContact CZ2-O 3.28Å; W82-D482 WeakPolarHBondContact CZ2-O 3.37Å; W82-V483 PolarHBondContact NE1-O 3.1Å; W82-Y486 HydrophobicContact CB-CD1 3.46Å; W82-Y486 VanDerWaalsContact CB-CD1 3.46Å; W82-Y486 HydrophobicContact CB-CD2 3.9Å; W82-Y486 HydrophobicContact CB-CE1 3.49Å; W82-Y486 VanDerWaalsContact CB-CE1 3.49Å; W82-Y486 HydrophobicContact CB-CE2 3.87Å; W82-Y486 HydrophobicContact CB-CG 3.63Å; W82-Y486 VanDerWaalsContact CD2-CB 3.43Å; W82-Y486 HydrophobicContact CD2-CD1 4.11Å; W82-Y486 AromaticContact CD2-CD2 3.31Å; W82-Y486 HydrophobicContact CD2-CD2 3.31Å; W82-Y486 AromaticContact CD2-CE2 3.97Å; W82-Y486 HydrophobicContact CD2-CE2 3.97Å; W82-Y486 AromaticContact CD2-CG 3.31Å; W82-Y486 HydrophobicContact CD2-CG 3.31Å; W82-Y486 VanDerWaalsContact CE2-CB 3.42Å; W82-Y486 AromaticContact CE2-CG 3.9Å; W82-Y486 HydrophobicContact CE3-CD1 4.42Å; W82-Y486 AromaticContact CE3-CD2 2.86Å; W82-Y486 HydrophobicContact CE3-CD2 2.86Å; W82-Y486 AromaticContact CE3-CE2 3.33Å; W82-Y486 HydrophobicContact CE3-CE2 3.33Å; W82-Y486 AromaticContact CE3-CG 3.46Å; W82-Y486 HydrophobicContact CE3-CG 3.46Å; W82-Y486 VanDerWaalsContact CE3-CG 3.46Å; W82-Y486 AromaticContact CG-CD1 3.7Å; W82-Y486 HydrophobicContact CG-CD1 3.7Å; W82-Y486 AromaticContact CG-CD2 3.78Å; W82-Y486 HydrophobicContact CG-CD2 3.78Å; W82-Y486 HydrophobicContact CG-CE1 4.22Å; W82-Y486 HydrophobicContact CG-CE2 4.24Å; W82-Y486 AromaticContact CG-CG 3.41Å; W82-Y486 HydrophobicContact CG-CG 3.41Å; W82-Y486 VanDerWaalsContact CG-CG 3.41Å; W82-Y486 HydrophobicContact CH2-CD2 4.04Å; W82-Y486 HydrophobicContact CH2-CG 4.47Å; W82-Y486 HydrophobicContact CZ2-CD2 4.44Å; W82-Y486 HydrophobicContact CZ2-CG 4.45Å; W82-Y486 AromaticContact CZ3-CD2 3.25Å; W82-Y486 HydrophobicContact CZ3-CD2 3.25Å; W82-Y486 AromaticContact CZ3-CE2 3.93Å; W82-Y486 HydrophobicContact CZ3-CE2 3.93Å; W82-Y486 HydrophobicContact CZ3-CG 4.01Å; W82-Y486 WeakPolarHBondContact O-CE1 3.42Å; W82-F493 HydrophobicContact CH2-CB 3.97Å; W82-F493 AromaticContact CH2-CD2 3.98Å; W82-F493 HydrophobicContact CH2-CD2 3.98Å; W82-F493 HydrophobicContact CH2-CG 4.48Å; W82-F493 HydrophobicContact CZ3-CB 3.6Å; W82-F493 HydrophobicContact CZ3-CD2 4.21Å; W82-F493 HydrophobicContact CZ3-CG 4.38Å; W82-F493 WeakPolarHBondContact CZ3-O 3.36Å; W82-C495 HydrophobicContact CD2-CB 3.44Å; W82-C495 VanDerWaalsContact CD2-CB 3.44Å; W82-C495 VanDerWaalsContact CE2-CB 3.47Å; W82-C495 HydrophobicContact CE3-CB 3.86Å; W82-C495 HydrophobicContact CG-CB 3.85Å; W82-C495 HydrophobicContact CH2-CB 4.47Å; W82-C495 HydrophobicContact CZ2-CB 4Å; W82-C495 HydrophobicContact CZ3-CB 4.41Å
83N66Low68.5Low105 Ų10563.8 Ų63.856%0.56135%0.349SS*.SBendtrans-93.7142.2176.8-68.3-37.9000110.5Y486N83-Y486 PolarHBondContact OD1-OH 3.28Å
84P73.4Confident68.8Low67 Ų6764.2 Ų64.244%0.43535%0.351SS..PPolyproline II helixtrans-53.1143.2168.5-22.732.9000110.6S86 M143P84-S86 PolarHBondContact O-N 3.09Å; P84-S86 VanDerWaalsContact O-N 3.16Å; P84-M143 HydrophobicContact CG-CE 4.02Å; P84-M143 HydrophobicContact CG-CG 3.92Å
85I77.7Confident69.3Low24 Ų2464 Ų6412%0.12335%0.348CS..PPolyproline II helixtrans-64.4118.3173.4-63.5168.3000107.7L72 I87 L98 L140L72-I85 HydrophobicContact CB-CD1 4.27Å; L72-I85 HydrophobicContact CD1-CD1 3.86Å; L72-I85 HydrophobicContact CD1-CG1 4.05Å; L72-I85 HydrophobicContact CD1-CG2 3.75Å; I85-I87 HydrophobicContact CG2-CG1 4.34Å; I85-I87 PolarHBondContact O-N 3.35Å; I85-L98 HydrophobicContact CB-CD1 3.75Å; I85-L98 HydrophobicContact CD1-CD1 4.04Å; I85-L98 HydrophobicContact CD1-CD2 3.69Å; I85-L98 HydrophobicContact CG1-CD1 4.45Å; I85-L98 HydrophobicContact CG2-CD1 3.95Å; I85-L140 HydrophobicContact CD1-CD2 3.9Å
86S75.4Confident70.5Confident114 Ų11460.8 Ų60.880%0.79733%0.328SS*.  trans-71.6100.5179.1176.70000109.8P84P84-S86 PolarHBondContact O-N 3.09Å; P84-S86 VanDerWaalsContact O-N 3.16Å
87I79.3Confident72.1Confident27 Ų2760.3 Ų60.314%0.13832%0.323CS..  trans-95135.2170.6-57.6168000108.2I85 D89 N91 D94 Q95 L98I85-I87 HydrophobicContact CG2-CG1 4.34Å; I85-I87 PolarHBondContact O-N 3.35Å; I87-D89 PolarHBondContact O-N 3.16Å; I87-N91 HydrophobicContact CG2-CB 3.97Å; I87-D94 HydrophobicContact CD1-CB 4.21Å; I87-D94 HydrophobicContact CG1-CB 4.43Å; I87-D94 HydrophobicContact CG2-CB 3.8Å; I87-Q95 HydrophobicContact CB-CG 4.22Å; I87-Q95 HydrophobicContact CD1-CB 4.21Å; I87-Q95 HydrophobicContact CD1-CG 3.7Å; I87-Q95 HydrophobicContact CG2-CG 3.97Å; I87-L98 HydrophobicContact CD1-CB 4.44Å; I87-L98 HydrophobicContact CD1-CD1 3.21Å; I87-L98 HydrophobicContact CD1-CG 3.78Å; I87-L98 HydrophobicContact CG1-CD1 3.91Å
88K75Confident73.9Confident179 Ų17958.7 Ų58.778%0.77831%0.312SS*.  trans-58.6128.7170.2-63.8-179.6-178.9177.80108.9D90 N91K88-D90 PolarHBondContact O-N 3.33Å; K88-N91 PolarHBondContact O-N 3.35Å
89D64.7Low76.1Confident145 Ų14557.5 Ų57.578%0.77530%0.304SS*.THydrogen-bonded Turntrans-51.6-24.6-171-68.8-36.1000114.6I87I87-D89 PolarHBondContact O-N 3.16Å
90D71.7Confident78.2Confident156 Ų15657.3 Ų57.383%0.83430%0.302SS*.THydrogen-bonded Turntrans-84.5-10.6178.9-60.8-31.6000115K88 V92K88-D90 PolarHBondContact O-N 3.33Å; D90-V92 PolarHBondContact O-N 2.94Å; D90-V92 VanDerWaalsContact O-N 3.16Å
91N82.2Confident80Confident56 Ų5655.6 Ų55.630%0.29929%0.293SS..  trans-92.475.5-176.3-164.6-12.4000112.2I87 K88 Q93 D94 Q95I87-N91 HydrophobicContact CG2-CB 3.97Å; K88-N91 PolarHBondContact O-N 3.35Å; N91-Q93 VanDerWaalsContact C-N 3.26Å; N91-Q93 PolarHBondContact O-N 3.49Å; N91-Q93 PolarHBondContact OD1-N 3.02Å; N91-D94 HydrophobicContact CB-CB 4.23Å; N91-D94 PolarHBondContact ND2-OD2 3.05Å; N91-D94 PolarHBondContact O-N 3.39Å; N91-D94 PolarHBondContact OD1-N 3.49Å; N91-Q95 PolarHBondContact O-N 2.99Å
92V84.2Confident81.4Confident47 Ų4752.8 Ų52.829%0.28528%0.282SS..Hα-helixtrans-56.5-39.5178.5-172.20000112.6D6 D90 D94 Q95 F96D6-V92 WeakPolarHBondContact OD1-CG1 3.29Å; D6-V92 WeakPolarHBondContact OD2-CG1 3.31Å; D90-V92 PolarHBondContact O-N 2.94Å; D90-V92 VanDerWaalsContact O-N 3.16Å; V92-D94 VanDerWaalsContact C-N 3.27Å; V92-D94 PolarHBondContact O-N 3.43Å; V92-Q95 PolarHBondContact O-N 3.07Å; V92-F96 WeakPolarHBondContact O-CB 3.36Å; V92-F96 PolarHBondContact O-N 2.86Å
93Q86.9Confident82.9Confident45 Ų4555 Ų5521%0.2129%0.291CS..Hα-helixtrans-63-36.9-177.5-179.457.152.400111.8K64 N91 T97K64-Q93 HydrophobicContact CB-CG 4.35Å; K64-Q93 WeakPolarHBondContact O-CG 3.37Å; N91-Q93 VanDerWaalsContact C-N 3.26Å; N91-Q93 PolarHBondContact O-N 3.49Å; N91-Q93 PolarHBondContact OD1-N 3.02Å; Q93-T97 PolarHBondContact NE2-OG1 2.88Å; Q93-T97 WeakPolarHBondContact O-CB 3.48Å; Q93-T97 PolarHBondContact O-N 3.35Å; Q93-T97 PolarHBondContact O-OG1 3.29Å
94D89.4Confident84.2Confident9 Ų950 Ų505%0.04826%0.264CS..Hα-helixtrans-71.1-42.9176.1-81.46.3000111.7A65 S66 V69 I87 N91 V92 T97 L98A65-D94 WeakPolarHBondContact CA-OD1 3.41Å; A65-D94 WeakPolarHBondContact CB-OD1 3.49Å; S66-D94 WeakPolarHBondContact CB-OD2 3.34Å; S66-D94 PolarHBondContact N-OD1 3.25Å; S66-D94 PolarHBondContact OG-OD1 3.23Å; S66-D94 PolarHBondContact OG-OD2 3.23Å; V69-D94 HydrophobicContact CB-CB 4.47Å; V69-D94 HydrophobicContact CG2-CB 3.9Å; V69-D94 WeakPolarHBondContact CG2-OD2 3.23Å; I87-D94 HydrophobicContact CD1-CB 4.21Å; I87-D94 HydrophobicContact CG1-CB 4.43Å; I87-D94 HydrophobicContact CG2-CB 3.8Å; N91-D94 HydrophobicContact CB-CB 4.23Å; N91-D94 PolarHBondContact ND2-OD2 3.05Å; N91-D94 PolarHBondContact O-N 3.39Å; N91-D94 PolarHBondContact OD1-N 3.49Å; V92-D94 VanDerWaalsContact C-N 3.27Å; V92-D94 PolarHBondContact O-N 3.43Å; D94-T97 WeakPolarHBondContact O-CB 3.21Å; D94-T97 PolarHBondContact O-N 2.96Å; D94-T97 VanDerWaalsContact O-N 3.16Å; D94-L98 PolarHBondContact O-N 3.24Å
95Q88.1Confident85.1Confident67 Ų6747.8 Ų47.831%0.31325%0.247SC..Hα-helixtrans-60.9-46.9175-69.7-176.10.800111.4I87 N91 V92 T97 L98 D99I87-Q95 HydrophobicContact CB-CG 4.22Å; I87-Q95 HydrophobicContact CD1-CB 4.21Å; I87-Q95 HydrophobicContact CD1-CG 3.7Å; I87-Q95 HydrophobicContact CG2-CG 3.97Å; N91-Q95 PolarHBondContact O-N 2.99Å; V92-Q95 PolarHBondContact O-N 3.07Å; Q95-T97 VanDerWaalsContact C-N 3.27Å; Q95-T97 PolarHBondContact O-N 3.48Å; Q95-L98 PolarHBondContact O-N 3.23Å; Q95-D99 PolarHBondContact O-N 3.4Å
96F89.5Confident85.8Confident1 Ų147.1 Ų47.10%0.00424%0.244CC..Hα-helixtrans-56.5-44.1173.7174-98.2000111.5M1 P5 R10 I61 V92 D99 I100M1-F96 HydrophobicContact CG-CZ 4.35Å; P5-F96 HydrophobicContact CB-CB 3.87Å; P5-F96 HydrophobicContact CB-CD1 3.6Å; P5-F96 HydrophobicContact CB-CD2 3.69Å; P5-F96 HydrophobicContact CB-CE1 4.02Å; P5-F96 HydrophobicContact CB-CE2 4.1Å; P5-F96 HydrophobicContact CB-CG 3.41Å; P5-F96 VanDerWaalsContact CB-CG 3.41Å; P5-F96 HydrophobicContact CB-CZ 4.25Å; P5-F96 WeakPolarHBondContact O-CD2 3.49Å; R10-F96 HydrophobicContact CG-CD2 3.87Å; R10-F96 HydrophobicContact CG-CE2 3.93Å; I61-F96 HydrophobicContact CG2-CD1 4.35Å; I61-F96 HydrophobicContact CG2-CE1 4.17Å; V92-F96 WeakPolarHBondContact O-CB 3.36Å; V92-F96 PolarHBondContact O-N 2.86Å; F96-D99 PolarHBondContact O-N 3.12Å; F96-I100 HydrophobicContact CD1-CG1 4.39Å; F96-I100 HydrophobicContact CD2-CG1 4.13Å; F96-I100 HydrophobicContact CE1-CG1 3.99Å; F96-I100 HydrophobicContact CE2-CD1 3.89Å; F96-I100 HydrophobicContact CE2-CG1 3.7Å; F96-I100 HydrophobicContact CG-CG1 4.47Å; F96-I100 HydrophobicContact CZ-CD1 4.08Å; F96-I100 HydrophobicContact CZ-CG1 3.63Å; F96-I100 VanDerWaalsContact O-CG1 3.31Å; F96-I100 WeakPolarHBondContact O-CG1 3.48Å; F96-I100 PolarHBondContact O-N 2.94Å
97T90.6Very high86.7Confident0 Ų042.4 Ų42.40%021%0.209CC..Hα-helixtrans-62.4-48.4179.2-60.70000111.4I61 A65 V69 T73 Q93 D94 Q95 D99 I100 M101I61-T97 HydrophobicContact CG2-CG2 3.76Å; A65-T97 HydrophobicContact CB-CG2 3.83Å; V69-T97 HydrophobicContact CG1-CG2 3.94Å; T73-T97 HydrophobicContact CG2-CG2 4.41Å; Q93-T97 PolarHBondContact NE2-OG1 2.88Å; Q93-T97 WeakPolarHBondContact O-CB 3.48Å; Q93-T97 PolarHBondContact O-N 3.35Å; Q93-T97 PolarHBondContact O-OG1 3.29Å; D94-T97 WeakPolarHBondContact O-CB 3.21Å; D94-T97 PolarHBondContact O-N 2.96Å; D94-T97 VanDerWaalsContact O-N 3.16Å; Q95-T97 VanDerWaalsContact C-N 3.27Å; Q95-T97 PolarHBondContact O-N 3.48Å; T97-D99 VanDerWaalsContact C-N 3.33Å; T97-D99 PolarHBondContact O-N 2.84Å; T97-I100 PolarHBondContact O-N 3.45Å; T97-M101 HydrophobicContact CG2-CE 4.25Å; T97-M101 HydrophobicContact CG2-CG 4.02Å; T97-M101 VanDerWaalsContact O-CB 3.24Å; T97-M101 WeakPolarHBondContact O-CB 3.41Å; T97-M101 WeakPolarHBondContact O-CG 3.3Å; T97-M101 PolarHBondContact O-N 3.38Å
98L89.6Confident87.3Confident11 Ų1141.3 Ų41.36%0.05820%0.203CC..Hα-helixtrans-59.1-44.1177.9-73.7-166.9000112.4V69 T73 I85 I87 D94 Q95 M101 H102 L140V69-L98 HydrophobicContact CG1-CD2 3.83Å; V69-L98 HydrophobicContact CG1-CG 4.17Å; T73-L98 HydrophobicContact CG2-CD2 3.56Å; I85-L98 HydrophobicContact CB-CD1 3.75Å; I85-L98 HydrophobicContact CD1-CD1 4.04Å; I85-L98 HydrophobicContact CD1-CD2 3.69Å; I85-L98 HydrophobicContact CG1-CD1 4.45Å; I85-L98 HydrophobicContact CG2-CD1 3.95Å; I87-L98 HydrophobicContact CD1-CB 4.44Å; I87-L98 HydrophobicContact CD1-CD1 3.21Å; I87-L98 HydrophobicContact CD1-CG 3.78Å; I87-L98 HydrophobicContact CG1-CD1 3.91Å; D94-L98 PolarHBondContact O-N 3.24Å; Q95-L98 PolarHBondContact O-N 3.23Å; L98-M101 PolarHBondContact O-N 2.87Å; L98-H102 VanDerWaalsContact O-CB 3.3Å; L98-H102 WeakPolarHBondContact O-CB 3.42Å; L98-H102 PolarHBondContact O-N 3.22Å; L98-L140 HydrophobicContact CD2-CD2 4.35Å
99D89.3Confident88.1Confident31 Ų3132.8 Ų32.817%0.16617%0.166CC..Hα-helixtrans-66.4-42.7-178-72.9-43.7000112.6R10 Q95 F96 T97 R103 K141R10-D99 IonicContact CZ-OD2 3.85Å; R10-D99 IonicContact NH1-OD2 2.79Å; R10-D99 PolarHBondContact NH1-OD2 3.39Å; R10-D99 IonicContact NH2-OD2 2.88Å; R10-D99 PolarHBondContact NH2-OD2 2.92Å; Q95-D99 PolarHBondContact O-N 3.4Å; F96-D99 PolarHBondContact O-N 3.12Å; T97-D99 VanDerWaalsContact C-N 3.33Å; T97-D99 PolarHBondContact O-N 2.84Å; D99-R103 WeakPolarHBondContact O-CG 3.39Å; D99-R103 PolarHBondContact O-N 3Å; D99-R103 VanDerWaalsContact O-N 3.16Å; D99-K141 WeakPolarHBondContact OD1-CE 3.49Å; D99-K141 IonicContact OD1-NZ 2.7Å; D99-K141 PolarHBondContact OD1-NZ 2.92Å
100I91.6Very high89.3Confident1 Ų126.2 Ų26.21%0.00513%0.131CC..Hα-helixtrans-70.3-37.3176.1-54.5-69.1000110.9E13 I61 F96 T97 R103 A104E13-I100 HydrophobicContact CB-CD1 3.98Å; E13-I100 HydrophobicContact CG-CD1 4.05Å; E13-I100 HydrophobicContact CG-CG2 4.15Å; I61-I100 HydrophobicContact CD1-CB 3.63Å; I61-I100 HydrophobicContact CD1-CG1 4.2Å; I61-I100 HydrophobicContact CD1-CG2 3.13Å; F96-I100 HydrophobicContact CD1-CG1 4.39Å; F96-I100 HydrophobicContact CD2-CG1 4.13Å; F96-I100 HydrophobicContact CE1-CG1 3.99Å; F96-I100 HydrophobicContact CE2-CD1 3.89Å; F96-I100 HydrophobicContact CE2-CG1 3.7Å; F96-I100 HydrophobicContact CG-CG1 4.47Å; F96-I100 HydrophobicContact CZ-CD1 4.08Å; F96-I100 HydrophobicContact CZ-CG1 3.63Å; F96-I100 VanDerWaalsContact O-CG1 3.31Å; F96-I100 WeakPolarHBondContact O-CG1 3.48Å; F96-I100 PolarHBondContact O-N 2.94Å; T97-I100 PolarHBondContact O-N 3.45Å; I100-R103 PolarHBondContact O-N 3.3Å; I100-A104 WeakPolarHBondContact O-CB 3.34Å; I100-A104 PolarHBondContact O-N 3.46Å
101M91.8Very high90.2Very high0 Ų018.8 Ų18.80%09%0.092CC..Hα-helixtrans-62.8-46.3176.8-73.3-73.2-166.400111.7M58 A62 T73 L74 T97 L98 R103 A104 Y105 L140M58-M101 HydrophobicContact CB-CE 4.01Å; M58-M101 HydrophobicContact CB-SD 3.66Å; M58-M101 HydrophobicContact CE-SD 3.76Å; M58-M101 HydrophobicContact CG-SD 3.67Å; M58-M101 WeakPolarHBondContact O-CE 3.42Å; A62-M101 HydrophobicContact CB-CE 3.25Å; T73-M101 HydrophobicContact CG2-CB 3.94Å; T73-M101 HydrophobicContact CG2-CG 3.7Å; L74-M101 HydrophobicContact CD2-CE 4.04Å; T97-M101 HydrophobicContact CG2-CE 4.25Å; T97-M101 HydrophobicContact CG2-CG 4.02Å; T97-M101 VanDerWaalsContact O-CB 3.24Å; T97-M101 WeakPolarHBondContact O-CB 3.41Å; T97-M101 WeakPolarHBondContact O-CG 3.3Å; T97-M101 PolarHBondContact O-N 3.38Å; L98-M101 PolarHBondContact O-N 2.87Å; M101-R103 PolarHBondContact O-N 3.37Å; M101-A104 PolarHBondContact O-N 2.76Å; M101-Y105 WeakPolarHBondContact O-CD2 3.38Å; M101-Y105 PolarHBondContact O-N 2.97Å; M101-L140 HydrophobicContact CB-CD1 3.8Å
102H91.9Very high90.4Very high8 Ų817 Ų174%0.0378%0.082CC..Hα-helixtrans-53.3-51.6173.8172-94.9000111.4L98 Y105 I106 A137 K141 S147L98-H102 VanDerWaalsContact O-CB 3.3Å; L98-H102 WeakPolarHBondContact O-CB 3.42Å; L98-H102 PolarHBondContact O-N 3.22Å; H102-Y105 PolarHBondContact O-N 3.04Å; H102-I106 VanDerWaalsContact CE1-CD1 3.5Å; H102-I106 WeakPolarHBondContact CE1-CD1 3.35Å; H102-I106 PolarHBondContact O-N 2.82Å; H102-A137 PolarHBondContact CD2-O 2.97Å; H102-A137 VanDerWaalsContact CD2-O 3.25Å; H102-K141 HydrophobicContact CB-CD 3.94Å; H102-K141 HydrophobicContact CB-CG 4.11Å; H102-S147 PolarHBondContact NE2-OG 3.31Å
103R92.8Very high90.5Very high62 Ų6217.8 Ų17.823%0.2348%0.08CC..Hα-helixtrans-65.2-41.7178.3-67.1-165.6-57.1-138.317.2112.6R10 E13 D99 I100 M101 Y105 I106 H107R10-R103 PolarHBondContact O-NH2 3.16Å; E13-R103 IonicContact OE2-CZ 2.69Å; E13-R103 IonicContact OE2-NE 3.81Å; E13-R103 PolarHBondContact OE2-NE 3.43Å; E13-R103 IonicContact OE2-NH2 3.55Å; E13-R103 PolarHBondContact OE2-NH2 2.92Å; D99-R103 WeakPolarHBondContact O-CG 3.39Å; D99-R103 PolarHBondContact O-N 3Å; D99-R103 VanDerWaalsContact O-N 3.16Å; I100-R103 PolarHBondContact O-N 3.3Å; M101-R103 PolarHBondContact O-N 3.37Å; R103-Y105 VanDerWaalsContact C-N 3.32Å; R103-Y105 PolarHBondContact O-N 3.05Å; R103-I106 WeakPolarHBondContact O-CB 3.33Å; R103-I106 PolarHBondContact O-N 3.24Å; R103-I106 VanDerWaalsContact O-N 3.16Å; R103-H107 WeakPolarHBondContact O-CB 3.45Å; R103-H107 PolarHBondContact O-CD2 3.05Å; R103-H107 PolarHBondContact O-N 2.91Å; R103-H107 PolarHBondContact O-ND1 3.42Å
104A93.3Very high90.4Very high1 Ų116.5 Ų16.51%0.0087%0.074CC..Hα-helixtrans-61.3-38.7178.200000112.3Y54 M58 I100 M101 H107 L108Y54-A104 HydrophobicContact CD1-CB 3.92Å; Y54-A104 HydrophobicContact CE1-CB 4.48Å; M58-A104 HydrophobicContact CG-CB 3.61Å; M58-A104 HydrophobicContact SD-CB 3.93Å; I100-A104 WeakPolarHBondContact O-CB 3.34Å; I100-A104 PolarHBondContact O-N 3.46Å; M101-A104 PolarHBondContact O-N 2.76Å; A104-H107 PolarHBondContact O-N 2.95Å; A104-L108 WeakPolarHBondContact O-CB 3.5Å; A104-L108 VanDerWaalsContact O-CG 3.3Å; A104-L108 WeakPolarHBondContact O-CG 3.43Å; A104-L108 PolarHBondContact O-N 3.1Å
105Y92.3Very high90.2Very high19 Ų1917.3 Ų17.38%0.0758%0.079CC..Hα-helixtrans-63.6-43.9173.3-83.7-61.9000112.2M58 T73 M101 H102 R103 H107 L108 G109 L133 C136 L140M58-Y105 HydrophobicContact CE-CD1 4.05Å; M58-Y105 HydrophobicContact CE-CD2 3.98Å; M58-Y105 HydrophobicContact CE-CE1 3.59Å; M58-Y105 HydrophobicContact CE-CE2 3.5Å; M58-Y105 VanDerWaalsContact CE-CE2 3.5Å; M58-Y105 HydrophobicContact CE-CG 4.23Å; T73-Y105 WeakPolarHBondContact O-CE2 3.21Å; T73-Y105 PolarHBondContact O-OH 3.3Å; M101-Y105 WeakPolarHBondContact O-CD2 3.38Å; M101-Y105 PolarHBondContact O-N 2.97Å; H102-Y105 PolarHBondContact O-N 3.04Å; R103-Y105 VanDerWaalsContact C-N 3.32Å; R103-Y105 PolarHBondContact O-N 3.05Å; Y105-H107 VanDerWaalsContact C-N 3.35Å; Y105-H107 PolarHBondContact O-N 3.48Å; Y105-L108 PolarHBondContact O-N 3.33Å; Y105-G109 PolarHBondContact O-N 3.45Å; Y105-L133 HydrophobicContact CD1-CD2 3.85Å; Y105-L133 HydrophobicContact CE1-CD2 4.24Å; Y105-C136 HydrophobicContact CD1-CB 3.57Å; Y105-C136 HydrophobicContact CD2-CB 4.12Å; Y105-C136 HydrophobicContact CE1-CB 3.68Å; Y105-C136 HydrophobicContact CE2-CB 4.23Å; Y105-C136 HydrophobicContact CG-CB 3.81Å; Y105-L140 HydrophobicContact CD2-CD1 3.6Å; Y105-L140 HydrophobicContact CE2-CD1 3.71Å
106I93.1Very high89.8Confident11 Ų1114.8 Ų14.86%0.0567%0.068CC..Hα-helixtrans-58.4-48.1172.9-65.3171.9000110.6H102 R103 L108 G109 D110 Y134 A137 S147 R150H102-I106 VanDerWaalsContact CE1-CD1 3.5Å; H102-I106 WeakPolarHBondContact CE1-CD1 3.35Å; H102-I106 PolarHBondContact O-N 2.82Å; R103-I106 WeakPolarHBondContact O-CB 3.33Å; R103-I106 PolarHBondContact O-N 3.24Å; R103-I106 VanDerWaalsContact O-N 3.16Å; I106-L108 PolarHBondContact O-N 3.32Å; I106-G109 PolarHBondContact O-N 3.42Å; I106-D110 PolarHBondContact O-N 2.99Å; I106-Y134 HydrophobicContact CG2-CE1 4.38Å; I106-Y134 WeakPolarHBondContact O-CE1 3.12Å; I106-A137 HydrophobicContact CG1-CB 3.79Å; I106-S147 WeakPolarHBondContact CD1-OG 3.44Å; I106-R150 HydrophobicContact CG2-CG 4.17Å
107H94.1Very high89.2Confident14 Ų1418.8 Ų18.87%0.0659%0.093CC..Hα-helixtrans-63.2-41.9-179-63.5-20.5000112.1E13 W17 Y54 R103 A104 Y105 G109 D110 L111E13-H107 IonicContact OE1-CD2 3.88Å; E13-H107 PolarHBondContact OE1-CD2 3.46Å; E13-H107 VanDerWaalsContact OE1-CD2 3.28Å; E13-H107 IonicContact OE1-NE2 2.99Å; E13-H107 PolarHBondContact OE1-NE2 2.81Å; W17-H107 AromaticContact CD1-CE1 3.22Å; W17-H107 AromaticContact CD1-ND1 3.68Å; W17-H107 AromaticContact CD1-NE2 3.71Å; W17-H107 HydrophobicContact CD2-CB 4.12Å; W17-H107 AromaticContact CD2-CD2 3.82Å; W17-H107 AromaticContact CD2-CE1 3.6Å; W17-H107 AromaticContact CD2-CG 3.48Å; W17-H107 VanDerWaalsContact CD2-CG 3.48Å; W17-H107 AromaticContact CD2-ND1 3.33Å; W17-H107 VanDerWaalsContact CD2-ND1 3.33Å; W17-H107 AromaticContact CD2-NE2 3.89Å; W17-H107 AromaticContact CE2-CE1 3.55Å; W17-H107 AromaticContact CE2-CG 3.72Å; W17-H107 AromaticContact CE2-ND1 3.12Å; W17-H107 HydrophobicContact CE3-CB 3.74Å; W17-H107 AromaticContact CE3-CG 3.59Å; W17-H107 AromaticContact CE3-ND1 3.9Å; W17-H107 AromaticContact CG-CD2 3.85Å; W17-H107 AromaticContact CG-CE1 3.39Å; W17-H107 AromaticContact CG-CG 3.96Å; W17-H107 AromaticContact CG-ND1 3.68Å; W17-H107 AromaticContact CG-NE2 3.49Å; W17-H107 HydrophobicContact CH2-CB 3.82Å; W17-H107 HydrophobicContact CZ2-CB 4.19Å; W17-H107 AromaticContact CZ2-ND1 3.52Å; W17-H107 HydrophobicContact CZ3-CB 3.58Å; W17-H107 AromaticContact CZ3-CG 3.92Å; W17-H107 AromaticContact NE1-CE1 3.3Å; W17-H107 PolarHBondContact NE1-CE1 2.8Å; W17-H107 VanDerWaalsContact NE1-CE1 3.3Å; W17-H107 AromaticContact NE1-ND1 3.34Å; W17-H107 PolarHBondContact NE1-ND1 2.66Å; Y54-H107 HydrophobicContact CD1-CB 4.38Å; Y54-H107 HydrophobicContact CD2-CB 4.44Å; Y54-H107 HydrophobicContact CE1-CB 4.06Å; Y54-H107 AromaticContact CE1-CD2 3.65Å; Y54-H107 HydrophobicContact CE2-CB 4.13Å; Y54-H107 AromaticContact CZ-CD2 3.67Å; Y54-H107 PolarHBondContact OH-CD2 3.28Å; R103-H107 WeakPolarHBondContact O-CB 3.45Å; R103-H107 PolarHBondContact O-CD2 3.05Å; R103-H107 PolarHBondContact O-N 2.91Å; R103-H107 PolarHBondContact O-ND1 3.42Å; A104-H107 PolarHBondContact O-N 2.95Å; Y105-H107 VanDerWaalsContact C-N 3.35Å; Y105-H107 PolarHBondContact O-N 3.48Å; H107-G109 VanDerWaalsContact C-N 3.35Å; H107-D110 PolarHBondContact O-N 2.92Å; H107-L111 VanDerWaalsContact O-CG 3.22Å; H107-L111 WeakPolarHBondContact O-CG 3.28Å; H107-L111 PolarHBondContact O-N 3.39Å
108L92.2Very high88.7Confident4 Ų419.7 Ų19.72%0.02110%0.098CC..Hα-helixtrans-61.7-42.6172.9-76.2172.4000111.7S51 R55 M58 A104 Y105 I106 L111 V112 L133S51-L108 WeakPolarHBondContact O-CD2 3.32Å; R55-L108 HydrophobicContact CG-CD1 4.18Å; R55-L108 HydrophobicContact CG-CD2 4.24Å; M58-L108 HydrophobicContact SD-CD1 3.48Å; M58-L108 WeakPolarHBondContact SD-CD1 3.48Å; A104-L108 WeakPolarHBondContact O-CB 3.5Å; A104-L108 VanDerWaalsContact O-CG 3.3Å; A104-L108 WeakPolarHBondContact O-CG 3.43Å; A104-L108 PolarHBondContact O-N 3.1Å; Y105-L108 PolarHBondContact O-N 3.33Å; I106-L108 PolarHBondContact O-N 3.32Å; L108-L111 PolarHBondContact O-N 3.29Å; L108-V112 VanDerWaalsContact O-CG2 3.3Å; L108-V112 WeakPolarHBondContact O-CG2 3.32Å; L108-V112 PolarHBondContact O-N 3.4Å; L108-L133 HydrophobicContact CB-CD1 3.94Å; L108-L133 HydrophobicContact CB-CD2 4.13Å; L108-L133 HydrophobicContact CD1-CD2 4.44Å
109G90Very high87.8Confident0 Ų021.9 Ų21.90%011%0.11CC..Hα-helixtrans-59.2-46.2175.200000111.9Y105 I106 H107 L111 V112 R113 S130 Y134Y105-G109 PolarHBondContact O-N 3.45Å; I106-G109 PolarHBondContact O-N 3.42Å; H107-G109 VanDerWaalsContact C-N 3.35Å; G109-L111 PolarHBondContact O-N 3.48Å; G109-V112 PolarHBondContact O-N 3.36Å; G109-R113 PolarHBondContact O-N 3.47Å; G109-S130 WeakPolarHBondContact O-CB 3.32Å; G109-Y134 VanDerWaalsContact C-OH 3.28Å
110D90.9Very high86.4Confident7 Ų725.8 Ų25.84%0.03713%0.134CC..Hα-helixtrans-60.6-43.9177-69.6-18.6000112.1W17 I106 H107 R113 Q114 Y134 R150W17-D110 HydrophobicContact CH2-CB 3.92Å; W17-D110 HydrophobicContact CZ2-CB 3.94Å; W17-D110 WeakPolarHBondContact CZ2-OD2 3.41Å; I106-D110 PolarHBondContact O-N 2.99Å; H107-D110 PolarHBondContact O-N 2.92Å; D110-R113 PolarHBondContact O-N 2.94Å; D110-Q114 WeakPolarHBondContact O-CG 3.21Å; D110-Q114 PolarHBondContact O-N 2.92Å; D110-Y134 WeakPolarHBondContact CA-OH 3.4Å; D110-Y134 PolarHBondContact N-OH 3Å; D110-Y134 PolarHBondContact OD1-OH 3.43Å; D110-R150 IonicContact OD1-CZ 4Å; D110-R150 IonicContact OD1-NH1 2.82Å; D110-R150 PolarHBondContact OD1-NH1 3.1Å; D110-R150 IonicContact OD2-CZ 3.01Å; D110-R150 IonicContact OD2-NH1 3.87Å; D110-R150 PolarHBondContact OD2-NH1 3Å
111L91.3Very high84.7Confident0 Ų032.3 Ų32.30%018%0.175CC..Hα-helixtrans-65.3-41.7178.2-68.2168.8000111.6W17 Y25 I47 A50 Y54 H107 L108 G109 R113 Q114 L115W17-L111 HydrophobicContact CH2-CD2 4.25Å; W17-L111 HydrophobicContact CH2-CG 4.07Å; W17-L111 HydrophobicContact CZ3-CD1 4.22Å; W17-L111 HydrophobicContact CZ3-CD2 4.12Å; W17-L111 HydrophobicContact CZ3-CG 4.02Å; Y25-L111 HydrophobicContact CD2-CD2 3.83Å; Y25-L111 HydrophobicContact CE2-CD2 3.93Å; I47-L111 HydrophobicContact CG2-CB 4.03Å; I47-L111 HydrophobicContact CG2-CD2 3.84Å; A50-L111 HydrophobicContact CB-CD1 3.9Å; A50-L111 HydrophobicContact CB-CD2 3.95Å; Y54-L111 HydrophobicContact CD2-CD1 4.01Å; H107-L111 VanDerWaalsContact O-CG 3.22Å; H107-L111 WeakPolarHBondContact O-CG 3.28Å; H107-L111 PolarHBondContact O-N 3.39Å; L108-L111 PolarHBondContact O-N 3.29Å; G109-L111 PolarHBondContact O-N 3.48Å; L111-R113 VanDerWaalsContact C-N 3.34Å; L111-Q114 PolarHBondContact O-N 2.85Å; L111-L115 WeakPolarHBondContact O-CG 3.18Å; L111-L115 PolarHBondContact O-N 3.45Å
112V86.3Confident82.8Confident18 Ų1833.9 Ų33.911%0.10919%0.185CC..Hα-helixtrans-63.1-43176168.30000110.7L108 G109 Q114 L115 S116 G126 A129 L133L108-V112 VanDerWaalsContact O-CG2 3.3Å; L108-V112 WeakPolarHBondContact O-CG2 3.32Å; L108-V112 PolarHBondContact O-N 3.4Å; G109-V112 PolarHBondContact O-N 3.36Å; V112-Q114 PolarHBondContact O-N 3.34Å; V112-L115 PolarHBondContact O-N 3.37Å; V112-S116 PolarHBondContact O-N 3.33Å; V112-S116 VanDerWaalsContact O-N 3.08Å; V112-S116 PolarHBondContact O-OG 3.02Å; V112-G126 WeakPolarHBondContact CG1-O 3.31Å; V112-A129 HydrophobicContact CG1-CB 3.72Å; V112-L133 HydrophobicContact CB-CD1 4.39Å; V112-L133 HydrophobicContact CG2-CD1 3.79Å
113R84.9Confident80.9Confident64 Ų6438 Ų3824%0.24221%0.207CC..Hα-helixtrans-60.3-46.4175.8-165.5174.871.61737.9111.3G109 D110 L111 L115 S116 T117 D157G109-R113 PolarHBondContact O-N 3.47Å; D110-R113 PolarHBondContact O-N 2.94Å; L111-R113 VanDerWaalsContact C-N 3.34Å; R113-L115 PolarHBondContact O-N 3.09Å; R113-S116 WeakPolarHBondContact O-CB 3.34Å; R113-S116 PolarHBondContact O-N 3.48Å; R113-S116 VanDerWaalsContact O-N 3.12Å; R113-T117 PolarHBondContact O-N 3.04Å; R113-T117 VanDerWaalsContact O-N 3.08Å; R113-T117 PolarHBondContact O-OG1 3.01Å; R113-D157 IonicContact NH1-OD2 3.36Å
114Q85.6Confident78.8Confident18 Ų1840 Ų408%0.08422%0.222CC..Hα-helixtrans-58.6-45.4175.5-73.6174.5-5.100112.6I47 D110 L111 V112 S116 T117 L118I47-Q114 HydrophobicContact CD1-CB 4.27Å; D110-Q114 WeakPolarHBondContact O-CG 3.21Å; D110-Q114 PolarHBondContact O-N 2.92Å; L111-Q114 PolarHBondContact O-N 2.85Å; V112-Q114 PolarHBondContact O-N 3.34Å; Q114-S116 PolarHBondContact O-N 3.47Å; Q114-T117 PolarHBondContact O-N 2.88Å; Q114-L118 WeakPolarHBondContact O-CG 3.32Å; Q114-L118 PolarHBondContact O-N 3.34Å
115L84.6Confident77.1Confident27 Ų2747 Ų4714%0.14126%0.255CS..Hα-helixtrans-57.9-36.6176-76.5170.5000112.4V44 I47 L111 V112 R113 L118 N119V44-L115 HydrophobicContact CB-CD2 4.45Å; V44-L115 HydrophobicContact CG1-CD2 4.03Å; I47-L115 HydrophobicContact CB-CD2 3.74Å; I47-L115 HydrophobicContact CB-CG 4.12Å; I47-L115 HydrophobicContact CG2-CD1 4.05Å; I47-L115 HydrophobicContact CG2-CD2 3.73Å; I47-L115 HydrophobicContact CG2-CG 3.5Å; I47-L115 VanDerWaalsContact CG2-CG 3.5Å; L111-L115 WeakPolarHBondContact O-CG 3.18Å; L111-L115 PolarHBondContact O-N 3.45Å; V112-L115 PolarHBondContact O-N 3.37Å; R113-L115 PolarHBondContact O-N 3.09Å; L115-L118 PolarHBondContact O-N 3.08Å; L115-N119 PolarHBondContact O-N 3.48Å
116S79.3Confident75.7Confident13 Ų1346.3 Ų46.39%0.09125%0.254CS..Hα-helixtrans-75.1-35.8-175.2-51.90000111.7V112 R113 Q114 L118 N119 L123 G126V112-S116 PolarHBondContact O-N 3.33Å; V112-S116 VanDerWaalsContact O-N 3.08Å; V112-S116 PolarHBondContact O-OG 3.02Å; R113-S116 WeakPolarHBondContact O-CB 3.34Å; R113-S116 PolarHBondContact O-N 3.48Å; R113-S116 VanDerWaalsContact O-N 3.12Å; Q114-S116 PolarHBondContact O-N 3.47Å; S116-L118 PolarHBondContact O-N 3.17Å; S116-N119 CarbonylContact O-C 3.58Å; S116-N119 PolarHBondContact O-N 2.97Å; S116-L123 WeakPolarHBondContact O-CD2 3.43Å; S116-G126 WeakPolarHBondContact OG-CA 3.42Å
117T78.4Confident74.7Confident85 Ų8548.2 Ų48.252%0.52126%0.262SS..Hα-helixtrans-62.9-31.5169.5-49.70000112.2R113 Q114R113-T117 PolarHBondContact O-N 3.04Å; R113-T117 VanDerWaalsContact O-N 3.08Å; R113-T117 PolarHBondContact O-OG1 3.01Å; Q114-T117 PolarHBondContact O-N 2.88Å
118L79.6Confident73.7Confident19 Ų1954.4 Ų54.410%0.09929%0.285CS..Hα-helixtrans-80.6-26.9178.8-63.3174.3000113.5T32 L43 V44 I47 Q114 L115 S116T32-L118 HydrophobicContact CG2-CD2 3.27Å; L43-L118 HydrophobicContact CD2-CD1 3.75Å; L43-L118 HydrophobicContact CD2-CD2 3.91Å; L43-L118 HydrophobicContact CG-CD1 3.81Å; V44-L118 HydrophobicContact CG2-CB 3.94Å; V44-L118 HydrophobicContact CG2-CD1 3.98Å; I47-L118 HydrophobicContact CD1-CD1 3.44Å; I47-L118 VanDerWaalsContact CD1-CD1 3.44Å; Q114-L118 WeakPolarHBondContact O-CG 3.32Å; Q114-L118 PolarHBondContact O-N 3.34Å; L115-L118 PolarHBondContact O-N 3.08Å; S116-L118 PolarHBondContact O-N 3.17Å
119N70Confident73Confident58 Ų5856.2 Ų56.231%0.3130%0.3SS..  trans-109.888.4-178.6-69.1-29.7000110.3L115 S116 T121 S122L115-N119 PolarHBondContact O-N 3.48Å; S116-N119 CarbonylContact O-C 3.58Å; S116-N119 PolarHBondContact O-N 2.97Å; N119-T121 PolarHBondContact O-N 3.12Å; N119-S122 WeakPolarHBondContact CB-OG 3.24Å; N119-S122 PolarHBondContact O-N 3.45Å; N119-S122 PolarHBondContact O-OG 3.35Å
120T60.4Low72.8Confident112 Ų11256.3 Ų56.369%0.68730%0.301SS*.THydrogen-bonded Turntrans-61-16.8-176.656.10000114.3L123T120-L123 WeakPolarHBondContact O-CD1 3.21Å
121T55.7Low72.4Confident139 Ų13957.2 Ų57.285%0.85331%0.305SS*.THydrogen-bonded Turntrans-83.2-10.2177.950.40000113.9N119N119-T121 PolarHBondContact O-N 3.12Å
122S52Low72Confident32 Ų3265.6 Ų65.622%0.22434%0.336CS..  trans-126.619.9-174.465.10000114.1N119 N124 Q125 G126N119-S122 WeakPolarHBondContact CB-OG 3.24Å; N119-S122 PolarHBondContact O-N 3.45Å; N119-S122 PolarHBondContact O-OG 3.35Å; S122-N124 VanDerWaalsContact C-N 3.26Å; S122-N124 PolarHBondContact O-N 3.18Å; S122-N124 VanDerWaalsContact O-N 3.16Å; S122-Q125 PolarHBondContact O-N 2.92Å; S122-Q125 VanDerWaalsContact O-N 3.12Å; S122-G126 PolarHBondContact O-N 3.48Å
123L51.4Low72Confident94 Ų9466 Ų6649%0.49234%0.338SS..Hα-helixtrans-50.9-42.5-172.8-79.7158.1000113S116 T120 G126 F127S116-L123 WeakPolarHBondContact O-CD2 3.43Å; T120-L123 WeakPolarHBondContact O-CD1 3.21Å; L123-G126 PolarHBondContact O-N 2.84Å; L123-F127 PolarHBondContact O-N 3.36Å
124N50.4Low72.2Confident104 Ų10463 Ų6356%0.55633%0.327SS*.Hα-helixtrans-69.5-39.7-178.5-68.9-11.2000113.1S122 G126 F127S122-N124 VanDerWaalsContact C-N 3.26Å; S122-N124 PolarHBondContact O-N 3.18Å; S122-N124 VanDerWaalsContact O-N 3.16Å; N124-G126 PolarHBondContact O-N 3.17Å; N124-F127 PolarHBondContact O-N 2.99Å
125Q55.7Low72.2Confident150 Ų15064.8 Ų64.870%0.70133%0.333SS*.Hα-helixtrans-64.5-34.4178.1-68.2-178-1.600111.6S122 A129S122-Q125 PolarHBondContact O-N 2.92Å; S122-Q125 VanDerWaalsContact O-N 3.12Å; Q125-A129 VanDerWaalsContact O-CB 3.23Å; Q125-A129 WeakPolarHBondContact O-CB 3.32Å; Q125-A129 PolarHBondContact O-N 2.9Å; Q125-A129 VanDerWaalsContact O-N 3.14Å
126G64.4Low72.2Confident4 Ų463.8 Ų63.84%0.04133%0.328CS..Hα-helixtrans-58.6-48.6175.500000115.2V112 S116 S122 L123 N124 S130V112-G126 WeakPolarHBondContact CG1-O 3.31Å; S116-G126 WeakPolarHBondContact OG-CA 3.42Å; S122-G126 PolarHBondContact O-N 3.48Å; L123-G126 PolarHBondContact O-N 2.84Å; N124-G126 PolarHBondContact O-N 3.17Å; G126-S130 WeakPolarHBondContact O-CB 3.5Å; G126-S130 PolarHBondContact O-N 3.18Å; G126-S130 PolarHBondContact O-OG 3.47Å; G126-S130 VanDerWaalsContact O-OG 3.1Å
127F71.2Confident72.7Confident50 Ų5063.2 Ų63.222%0.21932%0.324CS..Hα-helixtrans-57-59.9-179.5-177.3-86.3000110.6L123 N124 A129 S130 E131 M154 A158L123-F127 PolarHBondContact O-N 3.36Å; N124-F127 PolarHBondContact O-N 2.99Å; F127-A129 VanDerWaalsContact C-N 3.32Å; F127-A129 PolarHBondContact O-N 2.99Å; F127-S130 PolarHBondContact O-N 3.16Å; F127-S130 VanDerWaalsContact O-N 3.1Å; F127-S130 PolarHBondContact O-OG 3.12Å; F127-E131 PolarHBondContact O-N 2.69Å; F127-M154 HydrophobicContact CD2-CE 4.41Å; F127-M154 HydrophobicContact CD2-CG 3.62Å; F127-M154 HydrophobicContact CD2-SD 4.09Å; F127-M154 HydrophobicContact CE1-CE 3.98Å; F127-M154 HydrophobicContact CE2-CE 3.85Å; F127-M154 HydrophobicContact CE2-CG 3.48Å; F127-M154 VanDerWaalsContact CE2-CG 3.48Å; F127-M154 HydrophobicContact CE2-SD 4.06Å; F127-M154 HydrophobicContact CG-CG 4.48Å; F127-M154 HydrophobicContact CG-SD 4.43Å; F127-M154 HydrophobicContact CZ-CE 3.6Å; F127-M154 HydrophobicContact CZ-CG 4.23Å; F127-M154 HydrophobicContact CZ-SD 4.34Å; F127-A158 HydrophobicContact CD2-CB 3.96Å; F127-A158 HydrophobicContact CE2-CB 3.42Å; F127-A158 VanDerWaalsContact CE2-CB 3.42Å; F127-A158 HydrophobicContact CZ-CB 4.18Å
128W72.9Confident73.1Confident144 Ų14460.2 Ų60.255%0.54530%0.304SS..Hα-helixtrans-61.3-38.6-177.5-57.7119.8000113.1E131 R132W128-E131 VanDerWaalsContact CE3-OE2 3.31Å; W128-E131 WeakPolarHBondContact CZ3-OE2 3.45Å; W128-R132 WeakPolarHBondContact O-CB 3.48Å; W128-R132 PolarHBondContact O-N 2.99Å
129A77.3Confident73.1Confident43 Ų4359.8 Ų59.836%0.35530%0.302SS..Hα-helixtrans-66.5-40.6177.200000111.8V112 Q125 F127 L133V112-A129 HydrophobicContact CG1-CB 3.72Å; Q125-A129 VanDerWaalsContact O-CB 3.23Å; Q125-A129 WeakPolarHBondContact O-CB 3.32Å; Q125-A129 PolarHBondContact O-N 2.9Å; Q125-A129 VanDerWaalsContact O-N 3.14Å; F127-A129 VanDerWaalsContact C-N 3.32Å; F127-A129 PolarHBondContact O-N 2.99Å; A129-L133 WeakPolarHBondContact O-CD1 3.41Å; A129-L133 VanDerWaalsContact O-CG 3.29Å; A129-L133 WeakPolarHBondContact O-CG 3.37Å; A129-L133 PolarHBondContact O-N 2.75Å
130S85.9Confident73.8Confident1 Ų157.5 Ų57.51%0.00729%0.29CS..Hα-helixtrans-68.7-43.6175.566.80000112.1G109 G126 F127 R132 L133 Y134 M154G109-S130 WeakPolarHBondContact O-CB 3.32Å; G126-S130 WeakPolarHBondContact O-CB 3.5Å; G126-S130 PolarHBondContact O-N 3.18Å; G126-S130 PolarHBondContact O-OG 3.47Å; G126-S130 VanDerWaalsContact O-OG 3.1Å; F127-S130 PolarHBondContact O-N 3.16Å; F127-S130 VanDerWaalsContact O-N 3.1Å; F127-S130 PolarHBondContact O-OG 3.12Å; S130-R132 VanDerWaalsContact C-N 3.35Å; S130-R132 PolarHBondContact O-N 3.37Å; S130-L133 WeakPolarHBondContact O-CB 3.2Å; S130-L133 PolarHBondContact O-N 3.39Å; S130-L133 VanDerWaalsContact O-N 3.13Å; S130-Y134 WeakPolarHBondContact O-CD2 3.43Å; S130-Y134 PolarHBondContact O-N 3.24Å; S130-M154 PolarHBondContact OG-SD 3.02Å
131E83Confident75.1Confident26 Ų2654.6 Ų54.612%0.12127%0.268CS..Hα-helixtrans-56-49.5175.3-172.9-176.9169.800111.1F127 W128 L133 Y134 R135 M154F127-E131 PolarHBondContact O-N 2.69Å; W128-E131 VanDerWaalsContact CE3-OE2 3.31Å; W128-E131 WeakPolarHBondContact CZ3-OE2 3.45Å; E131-L133 VanDerWaalsContact C-N 3.26Å; E131-L133 PolarHBondContact O-N 3.27Å; E131-Y134 PolarHBondContact O-N 3.08Å; E131-Y134 VanDerWaalsContact O-N 3.14Å; E131-R135 HydrophobicContact CG-CG 4.36Å; E131-R135 WeakPolarHBondContact O-CB 3.4Å; E131-R135 WeakPolarHBondContact O-CG 3.35Å; E131-R135 PolarHBondContact O-N 3.29Å; E131-R135 IonicContact OE1-CZ 3.73Å; E131-R135 VanDerWaalsContact OE1-CZ 3.28Å; E131-R135 IonicContact OE1-NE 3.76Å; E131-R135 PolarHBondContact OE1-NE 2.94Å; E131-R135 IonicContact OE1-NH2 3.72Å; E131-R135 PolarHBondContact OE1-NH2 3.27Å; E131-M154 HydrophobicContact CB-CE 3.47Å; E131-M154 VanDerWaalsContact CB-CE 3.47Å; E131-M154 HydrophobicContact CB-SD 3.92Å; E131-M154 HydrophobicContact CG-CE 3.68Å
132R82.5Confident76.4Confident176 Ų17648.6 Ų48.666%0.66423%0.231SC*.Hα-helixtrans-56.5-42.2178.2-178.5179.5169.9-134.6-1.7111.7W128 S130 R135 C136W128-R132 WeakPolarHBondContact O-CB 3.48Å; W128-R132 PolarHBondContact O-N 2.99Å; S130-R132 VanDerWaalsContact C-N 3.35Å; S130-R132 PolarHBondContact O-N 3.37Å; R132-R135 PolarHBondContact O-N 3.47Å; R132-C136 PolarHBondContact O-N 3.38Å; R132-C136 PolarHBondContact O-SG 3.37Å
133L87.1Confident78Confident28 Ų2849.8 Ų49.815%0.14723%0.234CC..Hα-helixtrans-67.4-40.5178.4-69.7163.5000111.9Y105 L108 V112 A129 S130 E131 C136 A137Y105-L133 HydrophobicContact CD1-CD2 3.85Å; Y105-L133 HydrophobicContact CE1-CD2 4.24Å; L108-L133 HydrophobicContact CB-CD1 3.94Å; L108-L133 HydrophobicContact CB-CD2 4.13Å; L108-L133 HydrophobicContact CD1-CD2 4.44Å; V112-L133 HydrophobicContact CB-CD1 4.39Å; V112-L133 HydrophobicContact CG2-CD1 3.79Å; A129-L133 WeakPolarHBondContact O-CD1 3.41Å; A129-L133 VanDerWaalsContact O-CG 3.29Å; A129-L133 WeakPolarHBondContact O-CG 3.37Å; A129-L133 PolarHBondContact O-N 2.75Å; S130-L133 WeakPolarHBondContact O-CB 3.2Å; S130-L133 PolarHBondContact O-N 3.39Å; S130-L133 VanDerWaalsContact O-N 3.13Å; E131-L133 VanDerWaalsContact C-N 3.26Å; E131-L133 PolarHBondContact O-N 3.27Å; L133-C136 WeakPolarHBondContact O-CB 3.45Å; L133-C136 PolarHBondContact O-N 2.98Å; L133-A137 PolarHBondContact O-N 2.81Å; L133-A137 VanDerWaalsContact O-N 3.1Å
134Y89.9Confident79.8Confident0 Ų047.4 Ų47.40%022%0.22CC..Hα-helixtrans-66.5-38.7174.1-60.6-46.1000112.2I106 G109 D110 S130 E131 C136 A137 I138 R150 I151 M154I106-Y134 HydrophobicContact CG2-CE1 4.38Å; I106-Y134 WeakPolarHBondContact O-CE1 3.12Å; G109-Y134 VanDerWaalsContact C-OH 3.28Å; D110-Y134 WeakPolarHBondContact CA-OH 3.4Å; D110-Y134 PolarHBondContact N-OH 3Å; D110-Y134 PolarHBondContact OD1-OH 3.43Å; S130-Y134 WeakPolarHBondContact O-CD2 3.43Å; S130-Y134 PolarHBondContact O-N 3.24Å; E131-Y134 PolarHBondContact O-N 3.08Å; E131-Y134 VanDerWaalsContact O-N 3.14Å; Y134-C136 VanDerWaalsContact C-N 3.34Å; Y134-C136 PolarHBondContact O-N 2.72Å; Y134-A137 WeakPolarHBondContact O-CA 3.34Å; Y134-A137 WeakPolarHBondContact O-CB 3.26Å; Y134-A137 PolarHBondContact O-N 2.79Å; Y134-I138 WeakPolarHBondContact O-CG1 2.87Å; Y134-I138 PolarHBondContact O-N 3.5Å; Y134-R150 HydrophobicContact CD1-CB 3.71Å; Y134-R150 HydrophobicContact CD1-CG 4.28Å; Y134-R150 HydrophobicContact CD2-CB 4.11Å; Y134-R150 HydrophobicContact CE1-CB 3.59Å; Y134-R150 HydrophobicContact CE1-CG 3.95Å; Y134-R150 HydrophobicContact CE2-CB 4.01Å; Y134-R150 HydrophobicContact CG-CB 3.97Å; Y134-I151 HydrophobicContact CD2-CG1 4.24Å; Y134-I151 HydrophobicContact CG-CG1 4.27Å; Y134-M154 HydrophobicContact CD2-SD 4.28Å; Y134-M154 HydrophobicContact CE2-SD 4.26Å
135R84.2Confident81.6Confident55 Ų5542.4 Ų42.421%0.20819%0.194CC..Hα-helixtrans-62.2-38.9172.2-72.6178.6175.4-860.6111.9E131 R132 A137 I138 N139 I151 Y167 D484E131-R135 HydrophobicContact CG-CG 4.36Å; E131-R135 WeakPolarHBondContact O-CB 3.4Å; E131-R135 WeakPolarHBondContact O-CG 3.35Å; E131-R135 PolarHBondContact O-N 3.29Å; E131-R135 IonicContact OE1-CZ 3.73Å; E131-R135 VanDerWaalsContact OE1-CZ 3.28Å; E131-R135 IonicContact OE1-NE 3.76Å; E131-R135 PolarHBondContact OE1-NE 2.94Å; E131-R135 IonicContact OE1-NH2 3.72Å; E131-R135 PolarHBondContact OE1-NH2 3.27Å; R132-R135 PolarHBondContact O-N 3.47Å; R135-A137 VanDerWaalsContact C-N 3.29Å; R135-A137 PolarHBondContact O-N 3.08Å; R135-I138 PolarHBondContact O-N 3.14Å; R135-N139 WeakPolarHBondContact O-CB 3.26Å; R135-N139 PolarHBondContact O-N 2.89Å; R135-N139 PolarHBondContact O-ND2 2.94Å; R135-N139 VanDerWaalsContact O-ND2 3.11Å; R135-I151 HydrophobicContact CG-CD1 4.02Å; R135-Y167 PolarHBondContact NH2-OH 3.37Å; R135-D484 IonicContact CZ-OD1 2.77Å; R135-D484 IonicContact NH1-OD1 3.75Å; R135-D484 PolarHBondContact NH1-OD1 2.77Å; R135-D484 IonicContact NH1-OD2 3.26Å; R135-D484 IonicContact NH2-OD1 3.39Å; R135-D484 IonicContact NH2-OD2 2.79Å
136C84.9Confident83.2Confident7 Ų737.5 Ų37.55%0.04718%0.176CC..Hα-helixtrans-57.7-42.6169.8-66.90000111.6P77 Y105 R132 L133 Y134 N139 L140P77-C136 WeakPolarHBondContact CD-SG 3.4Å; Y105-C136 HydrophobicContact CD1-CB 3.57Å; Y105-C136 HydrophobicContact CD2-CB 4.12Å; Y105-C136 HydrophobicContact CE1-CB 3.68Å; Y105-C136 HydrophobicContact CE2-CB 4.23Å; Y105-C136 HydrophobicContact CG-CB 3.81Å; R132-C136 PolarHBondContact O-N 3.38Å; R132-C136 PolarHBondContact O-SG 3.37Å; L133-C136 WeakPolarHBondContact O-CB 3.45Å; L133-C136 PolarHBondContact O-N 2.98Å; Y134-C136 VanDerWaalsContact C-N 3.34Å; Y134-C136 PolarHBondContact O-N 2.72Å; C136-N139 PolarHBondContact O-N 3.19Å; C136-L140 WeakPolarHBondContact O-CG 3.43Å; C136-L140 PolarHBondContact O-N 3.14Å
137A89.7Confident84.4Confident0 Ų037.3 Ų37.30%017%0.174CC..Hα-helixtrans-63.3-47.617600000111.8H102 I106 L133 Y134 R135 N139 L140 K141 S147H102-A137 PolarHBondContact CD2-O 2.97Å; H102-A137 VanDerWaalsContact CD2-O 3.25Å; I106-A137 HydrophobicContact CG1-CB 3.79Å; L133-A137 PolarHBondContact O-N 2.81Å; L133-A137 VanDerWaalsContact O-N 3.1Å; Y134-A137 WeakPolarHBondContact O-CA 3.34Å; Y134-A137 WeakPolarHBondContact O-CB 3.26Å; Y134-A137 PolarHBondContact O-N 2.79Å; R135-A137 VanDerWaalsContact C-N 3.29Å; R135-A137 PolarHBondContact O-N 3.08Å; A137-N139 VanDerWaalsContact C-N 3.29Å; A137-N139 PolarHBondContact O-N 3.26Å; A137-L140 PolarHBondContact O-N 3.25Å; A137-L140 VanDerWaalsContact O-N 3.09Å; A137-K141 PolarHBondContact O-N 2.93Å; A137-K141 VanDerWaalsContact O-N 3.09Å; A137-S147 WeakPolarHBondContact CB-OG 3.39Å
138I86.3Confident85.4Confident22 Ų2235.9 Ų35.911%0.11317%0.167CC..Hα-helixtrans-55.1-45.7176-66.3171.8000110.8Y134 R135 L140 K141 P142 F148 I151Y134-I138 WeakPolarHBondContact O-CG1 2.87Å; Y134-I138 PolarHBondContact O-N 3.5Å; R135-I138 PolarHBondContact O-N 3.14Å; I138-L140 VanDerWaalsContact C-N 3.26Å; I138-L140 PolarHBondContact O-N 3.45Å; I138-K141 CarbonylContact O-C 3.45Å; I138-K141 PolarHBondContact O-N 2.93Å; I138-P142 WeakPolarHBondContact O-CA 3.33Å; I138-P142 VanDerWaalsContact O-CD 3.3Å; I138-P142 WeakPolarHBondContact O-CD 3.4Å; I138-F148 HydrophobicContact CD1-CD1 3.74Å; I138-F148 HydrophobicContact CD1-CE1 3.78Å; I138-F148 HydrophobicContact CD1-CG 4.3Å; I138-F148 HydrophobicContact CD1-CZ 4.36Å; I138-F148 HydrophobicContact CG1-CD1 4.4Å; I138-F148 HydrophobicContact CG1-CE1 4.27Å; I138-F148 HydrophobicContact CG1-CZ 4.35Å; I138-F148 HydrophobicContact CG2-CE1 3.94Å; I138-F148 HydrophobicContact CG2-CE2 4.36Å; I138-F148 HydrophobicContact CG2-CZ 3.66Å; I138-I151 HydrophobicContact CD1-CD1 3.38Å; I138-I151 HydrophobicContact CD1-CG1 4.35Å
139N80.7Confident86.3Confident10 Ų1029.5 Ų29.55%0.05315%0.145CC..Hα-helixtrans-64.3-27.3-179.7-75.8-37.8000114.1P77 N80 R81 R135 C136 A137P77-N139 HydrophobicContact CB-CB 4.3Å; P77-N139 VanDerWaalsContact CB-ND2 3.25Å; P77-N139 WeakPolarHBondContact CB-ND2 3.23Å; P77-N139 VanDerWaalsContact CG-ND2 3.34Å; P77-N139 WeakPolarHBondContact CG-ND2 3.33Å; N80-N139 WeakPolarHBondContact CA-OD1 3.13Å; N80-N139 WeakPolarHBondContact CB-OD1 3.36Å; N80-N139 PolarHBondContact OD1-ND2 2.69Å; N80-N139 PolarHBondContact OD1-OD1 2.97Å; R81-N139 PolarHBondContact N-OD1 3.42Å; R135-N139 WeakPolarHBondContact O-CB 3.26Å; R135-N139 PolarHBondContact O-N 2.89Å; R135-N139 PolarHBondContact O-ND2 2.94Å; R135-N139 VanDerWaalsContact O-ND2 3.11Å; C136-N139 PolarHBondContact O-N 3.19Å; A137-N139 VanDerWaalsContact C-N 3.29Å; A137-N139 PolarHBondContact O-N 3.26Å
140L84.9Confident87Confident11 Ų1130.5 Ų30.56%0.05814%0.14CC..Hα-helixtrans-78.3-41.3174.8-68.2-179.7000112.1T73 I85 L98 M101 Y105 C136 A137 I138T73-L140 HydrophobicContact CG2-CD2 4.12Å; I85-L140 HydrophobicContact CD1-CD2 3.9Å; L98-L140 HydrophobicContact CD2-CD2 4.35Å; M101-L140 HydrophobicContact CB-CD1 3.8Å; Y105-L140 HydrophobicContact CD2-CD1 3.6Å; Y105-L140 HydrophobicContact CE2-CD1 3.71Å; C136-L140 WeakPolarHBondContact O-CG 3.43Å; C136-L140 PolarHBondContact O-N 3.14Å; A137-L140 PolarHBondContact O-N 3.25Å; A137-L140 VanDerWaalsContact O-N 3.09Å; I138-L140 VanDerWaalsContact C-N 3.26Å; I138-L140 PolarHBondContact O-N 3.45Å
141K86.9Confident87.2Confident50 Ų5030.5 Ų30.522%0.21714%0.14CC..  trans-137.479.1-179.1-58.4-168.274-176.90111.1D99 H102 A137 I138 M143 E144D99-K141 WeakPolarHBondContact OD1-CE 3.49Å; D99-K141 IonicContact OD1-NZ 2.7Å; D99-K141 PolarHBondContact OD1-NZ 2.92Å; H102-K141 HydrophobicContact CB-CD 3.94Å; H102-K141 HydrophobicContact CB-CG 4.11Å; A137-K141 PolarHBondContact O-N 2.93Å; A137-K141 VanDerWaalsContact O-N 3.09Å; I138-K141 CarbonylContact O-C 3.45Å; I138-K141 PolarHBondContact O-N 2.93Å; K141-M143 PolarHBondContact O-N 2.7Å; K141-M143 VanDerWaalsContact O-N 3.09Å; K141-E144 HydrophobicContact CB-CB 4.23Å; K141-E144 HydrophobicContact CB-CG 3.64Å; K141-E144 HydrophobicContact CD-CG 4.05Å; K141-E144 WeakPolarHBondContact CE-OE1 3.48Å; K141-E144 HydrophobicContact CG-CG 4.48Å; K141-E144 IonicContact NZ-OE1 2.7Å; K141-E144 PolarHBondContact NZ-OE1 3.41Å; K141-E144 PolarHBondContact O-N 2.82Å; K141-E144 VanDerWaalsContact O-N 3.15Å
142P83Confident87.7Confident13 Ų1329.3 Ų29.38%0.08413%0.134CC..THydrogen-bonded Turntrans-68.6-12-175.324.9-33.7000113.9W82 I138 F148W82-P142 VanDerWaalsContact O-CG 3.27Å; W82-P142 WeakPolarHBondContact O-CG 3.41Å; I138-P142 WeakPolarHBondContact O-CA 3.33Å; I138-P142 VanDerWaalsContact O-CD 3.3Å; I138-P142 WeakPolarHBondContact O-CD 3.4Å; P142-F148 WeakPolarHBondContact O-CE2 3.35Å
143M85.7Confident88.1Confident57 Ų5722 Ų2228%0.28111%0.11SC..THydrogen-bonded Turntrans-86.9-3.9177.6-59.2-56173.500113.8P84 K141 E175 H176P84-M143 HydrophobicContact CG-CE 4.02Å; P84-M143 HydrophobicContact CG-CG 3.92Å; K141-M143 PolarHBondContact O-N 2.7Å; K141-M143 VanDerWaalsContact O-N 3.09Å; M143-E175 HydrophobicContact CB-CB 4.28Å; M143-E175 HydrophobicContact SD-CB 4.47Å; M143-H176 WeakPolarHBondContact O-CB 3.5Å; M143-H176 PolarHBondContact O-N 3.35Å; M143-H176 PolarHBondContact O-ND1 3.03Å
144E88.3Confident88.1Confident44 Ų4420.9 Ų20.921%0.20610%0.104CC..BIsolated β-bridgetrans-96.1113.5-176.1-68-77.6-168.200111.7K141 S146K141-E144 HydrophobicContact CB-CB 4.23Å; K141-E144 HydrophobicContact CB-CG 3.64Å; K141-E144 HydrophobicContact CD-CG 4.05Å; K141-E144 WeakPolarHBondContact CE-OE1 3.48Å; K141-E144 HydrophobicContact CG-CG 4.48Å; K141-E144 IonicContact NZ-OE1 2.7Å; K141-E144 PolarHBondContact NZ-OE1 3.41Å; K141-E144 PolarHBondContact O-N 2.82Å; K141-E144 VanDerWaalsContact O-N 3.15Å; E144-S146 PolarHBondContact O-N 2.86Å
145G89.5Confident88.1Confident0 Ų021.1 Ų21.10%011%0.105CC..Hα-helixtrans-64.6-24.2-177.100000114.4S147 F148 S149 S171 V174 H176G145-S147 VanDerWaalsContact C-N 3.31Å; G145-S147 PolarHBondContact O-N 3.07Å; G145-F148 PolarHBondContact O-N 3.45Å; G145-S149 PolarHBondContact O-N 3.21Å; G145-S171 VanDerWaalsContact O-CB 3.31Å; G145-S171 WeakPolarHBondContact O-CB 3.46Å; G145-V174 VanDerWaalsContact CA-CG2 3.42Å; G145-H176 PolarHBondContact N-O 3.4Å
146S89.5Confident88.3Confident46 Ų4619.8 Ų19.832%0.32211%0.106SC..Hα-helixtrans-60.9-35.3-174.962.60000113.7E144 R150E144-S146 PolarHBondContact O-N 2.86Å; S146-R150 WeakPolarHBondContact O-CG 3.35Å; S146-R150 PolarHBondContact O-N 2.88Å
147S90.1Very high88.2Confident0 Ų025 Ų250%013%0.134CC..Hα-helixtrans-71.2-42.1178.8-64.30000112H102 I106 A137 G145 S149 R150 I151H102-S147 PolarHBondContact NE2-OG 3.31Å; I106-S147 WeakPolarHBondContact CD1-OG 3.44Å; A137-S147 WeakPolarHBondContact CB-OG 3.39Å; G145-S147 VanDerWaalsContact C-N 3.31Å; G145-S147 PolarHBondContact O-N 3.07Å; S147-S149 VanDerWaalsContact C-N 3.33Å; S147-S149 PolarHBondContact O-N 2.88Å; S147-R150 PolarHBondContact O-N 3Å; S147-R150 VanDerWaalsContact O-N 3.14Å; S147-I151 PolarHBondContact O-N 3.46Å
148F91.3Very high87.8Confident20 Ų2027.3 Ų27.39%0.08815%0.153CC..Hα-helixtrans-61.6-41.5174-63.9-78.3000111.7I138 P142 G145 R150 I151 A152 Y167 L170 V174I138-F148 HydrophobicContact CD1-CD1 3.74Å; I138-F148 HydrophobicContact CD1-CE1 3.78Å; I138-F148 HydrophobicContact CD1-CG 4.3Å; I138-F148 HydrophobicContact CD1-CZ 4.36Å; I138-F148 HydrophobicContact CG1-CD1 4.4Å; I138-F148 HydrophobicContact CG1-CE1 4.27Å; I138-F148 HydrophobicContact CG1-CZ 4.35Å; I138-F148 HydrophobicContact CG2-CE1 3.94Å; I138-F148 HydrophobicContact CG2-CE2 4.36Å; I138-F148 HydrophobicContact CG2-CZ 3.66Å; P142-F148 WeakPolarHBondContact O-CE2 3.35Å; G145-F148 PolarHBondContact O-N 3.45Å; F148-R150 PolarHBondContact O-N 3.36Å; F148-I151 PolarHBondContact O-N 3.15Å; F148-A152 WeakPolarHBondContact O-CB 3.41Å; F148-A152 PolarHBondContact O-N 2.57Å; F148-Y167 HydrophobicContact CD1-CD1 4.03Å; F148-Y167 HydrophobicContact CD1-CE1 4.46Å; F148-L170 HydrophobicContact CD1-CB 4.22Å; F148-L170 HydrophobicContact CD1-CD1 4.13Å; F148-L170 HydrophobicContact CE1-CD1 4.18Å; F148-L170 HydrophobicContact CG-CB 4.38Å; F148-V174 HydrophobicContact CD2-CG1 4.27Å; F148-V174 HydrophobicContact CE2-CG1 3.82Å; F148-V174 HydrophobicContact CZ-CG1 4.43Å
149S92.5Very high87.6Confident11 Ų1131.4 Ų31.48%0.07718%0.175CC..Hα-helixtrans-59.6-28176.9-178.40000112.9G145 S147 S153G145-S149 PolarHBondContact O-N 3.21Å; S147-S149 VanDerWaalsContact C-N 3.33Å; S147-S149 PolarHBondContact O-N 2.88Å; S149-S153 PolarHBondContact O-N 3.46Å; S149-S153 VanDerWaalsContact O-N 3.11Å; S149-S153 PolarHBondContact O-OG 3.09Å; S149-S153 VanDerWaalsContact O-OG 3.05Å
150R91.2Very high88Confident64 Ų6432.3 Ų32.324%0.24218%0.184CC..Hα-helixtrans-76.1-42.1177.9-63.4-63.1165.9126.54.8112.8I106 D110 Y134 S146 S147 F148 A152 S153 M154I106-R150 HydrophobicContact CG2-CG 4.17Å; D110-R150 IonicContact OD1-CZ 4Å; D110-R150 IonicContact OD1-NH1 2.82Å; D110-R150 PolarHBondContact OD1-NH1 3.1Å; D110-R150 IonicContact OD2-CZ 3.01Å; D110-R150 IonicContact OD2-NH1 3.87Å; D110-R150 PolarHBondContact OD2-NH1 3Å; Y134-R150 HydrophobicContact CD1-CB 3.71Å; Y134-R150 HydrophobicContact CD1-CG 4.28Å; Y134-R150 HydrophobicContact CD2-CB 4.11Å; Y134-R150 HydrophobicContact CE1-CB 3.59Å; Y134-R150 HydrophobicContact CE1-CG 3.95Å; Y134-R150 HydrophobicContact CE2-CB 4.01Å; Y134-R150 HydrophobicContact CG-CB 3.97Å; S146-R150 WeakPolarHBondContact O-CG 3.35Å; S146-R150 PolarHBondContact O-N 2.88Å; S147-R150 PolarHBondContact O-N 3Å; S147-R150 VanDerWaalsContact O-N 3.14Å; F148-R150 PolarHBondContact O-N 3.36Å; R150-A152 VanDerWaalsContact C-N 3.28Å; R150-S153 PolarHBondContact O-N 3.3Å; R150-M154 WeakPolarHBondContact O-CB 3.37Å; R150-M154 PolarHBondContact O-N 3.27Å
151I90.5Very high88.4Confident1 Ų134.1 Ų34.11%0.00519%0.192CC..Hα-helixtrans-60.6-44.8170.7-59.1-172.2000109.2Y134 R135 I138 S147 F148 S153 M154 S155 Y167Y134-I151 HydrophobicContact CD2-CG1 4.24Å; Y134-I151 HydrophobicContact CG-CG1 4.27Å; R135-I151 HydrophobicContact CG-CD1 4.02Å; I138-I151 HydrophobicContact CD1-CD1 3.38Å; I138-I151 HydrophobicContact CD1-CG1 4.35Å; S147-I151 PolarHBondContact O-N 3.46Å; F148-I151 PolarHBondContact O-N 3.15Å; I151-S153 PolarHBondContact O-N 3.45Å; I151-M154 HydrophobicContact CG2-CE 4.16Å; I151-M154 CarbonylContact O-C 3.16Å; I151-M154 WeakPolarHBondContact O-CB 3.27Å; I151-M154 PolarHBondContact O-N 3.24Å; I151-M154 VanDerWaalsContact O-N 3.1Å; I151-S155 PolarHBondContact O-N 3.25Å; I151-S155 PolarHBondContact O-OG 2.98Å; I151-S155 VanDerWaalsContact O-OG 3.11Å; I151-Y167 HydrophobicContact CB-CD2 4.33Å; I151-Y167 HydrophobicContact CB-CG 4.27Å; I151-Y167 HydrophobicContact CG2-CD1 4.26Å; I151-Y167 HydrophobicContact CG2-CD2 3.49Å; I151-Y167 VanDerWaalsContact CG2-CD2 3.49Å; I151-Y167 HydrophobicContact CG2-CE1 4.25Å; I151-Y167 HydrophobicContact CG2-CE2 3.48Å; I151-Y167 VanDerWaalsContact CG2-CE2 3.48Å; I151-Y167 HydrophobicContact CG2-CG 3.89Å
152A92.8Very high88.8Confident0 Ų031.9 Ų31.90%018%0.182CC..Hα-helixtrans-57-47.2179.200000113.3F148 R150 M154 S155 A156 A164 H168F148-A152 WeakPolarHBondContact O-CB 3.41Å; F148-A152 PolarHBondContact O-N 2.57Å; R150-A152 VanDerWaalsContact C-N 3.28Å; A152-M154 VanDerWaalsContact C-N 3.34Å; A152-M154 PolarHBondContact O-N 3.23Å; A152-S155 PolarHBondContact O-N 3.44Å; A152-A156 PolarHBondContact O-N 3.39Å; A152-A164 WeakPolarHBondContact O-CB 3.28Å; A152-H168 HydrophobicContact CB-CB 4.18Å; A152-H168 WeakPolarHBondContact CB-CD2 3.39Å; A152-H168 VanDerWaalsContact CB-CG 3.46Å; A152-H168 WeakPolarHBondContact CB-NE2 3.48Å
153S90.3Very high89.3Confident24 Ų2433.2 Ų33.217%0.16819%0.189CC..Hα-helixtrans-64.1-39.7175.8-58.10000112.3S149 R150 I151 A156 D157S149-S153 PolarHBondContact O-N 3.46Å; S149-S153 VanDerWaalsContact O-N 3.11Å; S149-S153 PolarHBondContact O-OG 3.09Å; S149-S153 VanDerWaalsContact O-OG 3.05Å; R150-S153 PolarHBondContact O-N 3.3Å; I151-S153 PolarHBondContact O-N 3.45Å; S153-A156 WeakPolarHBondContact O-CB 3.38Å; S153-A156 PolarHBondContact O-N 2.89Å; S153-D157 VanDerWaalsContact O-CG 3.27Å; S153-D157 PolarHBondContact O-N 2.98Å
154M88.2Confident89.7Confident4 Ų430.5 Ų30.52%0.0218%0.175CC..Hα-helixtrans-65.7-41.1177.2179.7-166.175.400111.7F127 S130 E131 Y134 R150 I151 A152 A156 D157 A158F127-M154 HydrophobicContact CD2-CE 4.41Å; F127-M154 HydrophobicContact CD2-CG 3.62Å; F127-M154 HydrophobicContact CD2-SD 4.09Å; F127-M154 HydrophobicContact CE1-CE 3.98Å; F127-M154 HydrophobicContact CE2-CE 3.85Å; F127-M154 HydrophobicContact CE2-CG 3.48Å; F127-M154 VanDerWaalsContact CE2-CG 3.48Å; F127-M154 HydrophobicContact CE2-SD 4.06Å; F127-M154 HydrophobicContact CG-CG 4.48Å; F127-M154 HydrophobicContact CG-SD 4.43Å; F127-M154 HydrophobicContact CZ-CE 3.6Å; F127-M154 HydrophobicContact CZ-CG 4.23Å; F127-M154 HydrophobicContact CZ-SD 4.34Å; S130-M154 PolarHBondContact OG-SD 3.02Å; E131-M154 HydrophobicContact CB-CE 3.47Å; E131-M154 VanDerWaalsContact CB-CE 3.47Å; E131-M154 HydrophobicContact CB-SD 3.92Å; E131-M154 HydrophobicContact CG-CE 3.68Å; Y134-M154 HydrophobicContact CD2-SD 4.28Å; Y134-M154 HydrophobicContact CE2-SD 4.26Å; R150-M154 WeakPolarHBondContact O-CB 3.37Å; R150-M154 PolarHBondContact O-N 3.27Å; I151-M154 HydrophobicContact CG2-CE 4.16Å; I151-M154 CarbonylContact O-C 3.16Å; I151-M154 WeakPolarHBondContact O-CB 3.27Å; I151-M154 PolarHBondContact O-N 3.24Å; I151-M154 VanDerWaalsContact O-N 3.1Å; A152-M154 VanDerWaalsContact C-N 3.34Å; A152-M154 PolarHBondContact O-N 3.23Å; M154-A156 VanDerWaalsContact C-N 3.3Å; M154-A156 PolarHBondContact O-N 2.8Å; M154-D157 PolarHBondContact O-N 3.36Å; M154-A158 PolarHBondContact O-N 3.34Å
155S89.3Confident90Very high4 Ų428.4 Ų28.43%0.02817%0.166CC..Hα-helixtrans-61.1-39.2172.8-62.20000111.8I151 A152 A158 D159 A160I151-S155 PolarHBondContact O-N 3.25Å; I151-S155 PolarHBondContact O-OG 2.98Å; I151-S155 VanDerWaalsContact O-OG 3.11Å; A152-S155 PolarHBondContact O-N 3.44Å; S155-A158 PolarHBondContact O-N 3.24Å; S155-D159 PolarHBondContact O-N 2.84Å; S155-A160 WeakPolarHBondContact O-CB 3.17Å; S155-A160 PolarHBondContact O-N 3.35Å
156A88.4Confident90.3Very high27 Ų2728.4 Ų28.422%0.22317%0.166CC..Hα-helixtrans-64.1-40.9175.200000112A152 S153 M154 A158 D159 A164 L188A152-A156 PolarHBondContact O-N 3.39Å; S153-A156 WeakPolarHBondContact O-CB 3.38Å; S153-A156 PolarHBondContact O-N 2.89Å; M154-A156 VanDerWaalsContact C-N 3.3Å; M154-A156 PolarHBondContact O-N 2.8Å; A156-A158 PolarHBondContact O-N 3.49Å; A156-D159 PolarHBondContact O-N 2.93Å; A156-A164 HydrophobicContact CB-CB 3.85Å; A156-L188 HydrophobicContact CB-CD2 4.42Å
157D83.4Confident90.5Very high117 Ų11726.6 Ų26.663%0.62615%0.152SC*.Hα-helixtrans-64.3-22176.6-65.7-26000112.8R113 S153 M154R113-D157 IonicContact NH1-OD2 3.36Å; S153-D157 VanDerWaalsContact O-CG 3.27Å; S153-D157 PolarHBondContact O-N 2.98Å; M154-D157 PolarHBondContact O-N 3.36Å
158A80.3Confident90.7Very high49 Ų4926.8 Ų26.841%0.40515%0.153SC..THydrogen-bonded Turntrans-102.315.5-179.500000114F127 M154 S155 A156 A160F127-A158 HydrophobicContact CD2-CB 3.96Å; F127-A158 HydrophobicContact CE2-CB 3.42Å; F127-A158 VanDerWaalsContact CE2-CB 3.42Å; F127-A158 HydrophobicContact CZ-CB 4.18Å; M154-A158 PolarHBondContact O-N 3.34Å; S155-A158 PolarHBondContact O-N 3.24Å; A156-A158 PolarHBondContact O-N 3.49Å; A158-A160 PolarHBondContact O-N 3.1Å; A158-A160 VanDerWaalsContact O-N 3.09Å
159D83.9Confident90.8Very high108 Ų10825.9 Ų25.958%0.57815%0.149SC*.THydrogen-bonded Turntrans57.519.2-176.5-61.5-39.2000114.5S155 A156 H161S155-D159 PolarHBondContact O-N 2.84Å; A156-D159 PolarHBondContact O-N 2.93Å; D159-H161 VanDerWaalsContact C-N 3.29Å; D159-H161 PolarHBondContact O-N 3.05Å; D159-H161 VanDerWaalsContact O-N 3.11Å; D159-H161 IonicContact OD1-CE1 3.9Å
160A87.9Confident90.7Very high29 Ų2925.6 Ų25.624%0.2415%0.147CC..  trans-86.768173.500000109.9S155 A158 I162 D163 A164S155-A160 WeakPolarHBondContact O-CB 3.17Å; S155-A160 PolarHBondContact O-N 3.35Å; A158-A160 PolarHBondContact O-N 3.1Å; A158-A160 VanDerWaalsContact O-N 3.09Å; A160-I162 PolarHBondContact O-N 3.16Å; A160-D163 HydrophobicContact CB-CB 4.04Å; A160-D163 WeakPolarHBondContact O-CB 3.23Å; A160-D163 PolarHBondContact O-N 3.49Å; A160-A164 PolarHBondContact O-N 3.33Å
161H93.2Very high90.8Very high49 Ų4922.6 Ų22.623%0.22714%0.135CC..Hα-helixtrans-65-35.4-168.5-56.8-53.5000114.4D159 A164 V165 L224D159-H161 VanDerWaalsContact C-N 3.29Å; D159-H161 PolarHBondContact O-N 3.05Å; D159-H161 VanDerWaalsContact O-N 3.11Å; D159-H161 IonicContact OD1-CE1 3.9Å; H161-A164 PolarHBondContact O-N 2.94Å; H161-V165 WeakPolarHBondContact O-CG2 3Å; H161-V165 PolarHBondContact O-N 3.22Å; H161-L224 HydrophobicContact CB-CD1 3.65Å
162I95.2Very high90.8Very high2 Ų223.7 Ų23.71%0.0114%0.142CC..Hα-helixtrans-62.4-48.5174.8-73174.1000109.6A160 A164 V165 F166 F219 P220 L224 L280 M284A160-I162 PolarHBondContact O-N 3.16Å; I162-A164 VanDerWaalsContact C-N 3.34Å; I162-A164 PolarHBondContact O-N 2.92Å; I162-V165 PolarHBondContact O-N 3.38Å; I162-F166 WeakPolarHBondContact O-CB 3.47Å; I162-F166 PolarHBondContact O-N 3.39Å; I162-F219 HydrophobicContact CD1-CD1 4.17Å; I162-F219 HydrophobicContact CD1-CE1 3.68Å; I162-F219 HydrophobicContact CD1-CZ 4.44Å; I162-P220 HydrophobicContact CD1-CB 4.14Å; I162-P220 HydrophobicContact CD1-CG 4.33Å; I162-P220 HydrophobicContact CG1-CB 4.06Å; I162-L224 HydrophobicContact CG1-CD2 4.37Å; I162-L224 HydrophobicContact CG1-CG 4.32Å; I162-L280 HydrophobicContact CG2-CB 3.72Å; I162-M284 HydrophobicContact CG2-SD 3.96Å
163D92.9Very high90.6Very high41 Ų4128 Ų2822%0.21916%0.161CC..Hα-helixtrans-58.6-44.6177-59.7-121.3000111.6A160 V165 F166 Y167 L280A160-D163 HydrophobicContact CB-CB 4.04Å; A160-D163 WeakPolarHBondContact O-CB 3.23Å; A160-D163 PolarHBondContact O-N 3.49Å; D163-V165 PolarHBondContact O-N 3.3Å; D163-F166 PolarHBondContact O-N 2.66Å; D163-Y167 HydrophobicContact CB-CD2 4.41Å; D163-Y167 HydrophobicContact CB-CE2 4.5Å; D163-Y167 WeakPolarHBondContact O-CD2 3.44Å; D163-Y167 PolarHBondContact O-N 3.38Å; D163-L280 HydrophobicContact CB-CD1 4.06Å; D163-L280 WeakPolarHBondContact OD1-CD1 3.23Å
164A94.5Very high90.4Very high0 Ų027.7 Ų27.70%016%0.158CC..Hα-helixtrans-58.2-48.8177.600000112A152 A156 A160 H161 I162 H168 L188A152-A164 WeakPolarHBondContact O-CB 3.28Å; A156-A164 HydrophobicContact CB-CB 3.85Å; A160-A164 PolarHBondContact O-N 3.33Å; H161-A164 PolarHBondContact O-N 2.94Å; I162-A164 VanDerWaalsContact C-N 3.34Å; I162-A164 PolarHBondContact O-N 2.92Å; A164-H168 WeakPolarHBondContact O-CB 3.34Å; A164-H168 PolarHBondContact O-CD2 2.84Å; A164-H168 VanDerWaalsContact O-CD2 3.28Å; A164-H168 PolarHBondContact O-N 3.24Å; A164-L188 HydrophobicContact CB-CD1 4.02Å
165V96.2Very high90.2Very high1 Ų134.5 Ų34.51%0.00619%0.189CC..Hα-helixtrans-65.9-42.2177.9173.50000110.9H161 I162 D163 H168 L169 L185 L188 F189 L224 M284H161-V165 WeakPolarHBondContact O-CG2 3Å; H161-V165 PolarHBondContact O-N 3.22Å; I162-V165 PolarHBondContact O-N 3.38Å; D163-V165 PolarHBondContact O-N 3.3Å; V165-H168 PolarHBondContact O-N 2.94Å; V165-L169 VanDerWaalsContact O-CB 3.26Å; V165-L169 WeakPolarHBondContact O-CB 3.41Å; V165-L169 PolarHBondContact O-N 3.37Å; V165-L185 HydrophobicContact CB-CD2 4.46Å; V165-L185 HydrophobicContact CG1-CD2 3.89Å; V165-L188 HydrophobicContact CG2-CB 4.18Å; V165-L188 HydrophobicContact CG2-CD1 4.01Å; V165-F189 HydrophobicContact CG1-CE1 3.77Å; V165-F189 HydrophobicContact CG1-CZ 3.9Å; V165-F189 HydrophobicContact CG2-CE1 4.25Å; V165-L224 HydrophobicContact CB-CD2 3.88Å; V165-L224 HydrophobicContact CG1-CD2 4.04Å; V165-L224 HydrophobicContact CG2-CD1 4.08Å; V165-L224 HydrophobicContact CG2-CD2 3.78Å; V165-M284 HydrophobicContact CB-CE 4.16Å; V165-M284 HydrophobicContact CG1-CE 3.48Å; V165-M284 VanDerWaalsContact CG1-CE 3.48Å; V165-M284 HydrophobicContact CG1-SD 4.37Å
166F95Very high90.2Very high0 Ų039 Ų390%021%0.21CC..Hα-helixtrans-58.3-52.4177.5170.8-107.4000112.1I162 D163 L169 L170 L280 A283 M284 M287 L485 V488I162-F166 WeakPolarHBondContact O-CB 3.47Å; I162-F166 PolarHBondContact O-N 3.39Å; D163-F166 PolarHBondContact O-N 2.66Å; F166-L169 WeakPolarHBondContact O-CB 3.4Å; F166-L169 PolarHBondContact O-N 3.35Å; F166-L170 HydrophobicContact CD1-CD1 4.08Å; F166-L170 HydrophobicContact CE1-CD1 3.4Å; F166-L170 HydrophobicContact CE1-CG 4.32Å; F166-L170 HydrophobicContact CE2-CD1 3.95Å; F166-L170 HydrophobicContact CE2-CG 4.1Å; F166-L170 HydrophobicContact CZ-CD1 3.33Å; F166-L170 HydrophobicContact CZ-CG 4Å; F166-L170 PolarHBondContact O-N 2.94Å; F166-L280 HydrophobicContact CD1-CD1 4.48Å; F166-L280 HydrophobicContact CD1-CD2 3.68Å; F166-L280 HydrophobicContact CD2-CD2 4.41Å; F166-L280 HydrophobicContact CE1-CD2 3.65Å; F166-L280 HydrophobicContact CE2-CD2 4.4Å; F166-L280 HydrophobicContact CG-CD2 4.05Å; F166-L280 HydrophobicContact CZ-CD2 4.02Å; F166-A283 HydrophobicContact CD2-CB 4.21Å; F166-A283 HydrophobicContact CE2-CB 3.64Å; F166-A283 HydrophobicContact CZ-CB 4.38Å; F166-M284 HydrophobicContact CB-CG 4Å; F166-M284 HydrophobicContact CB-SD 4.05Å; F166-M284 HydrophobicContact CD2-CG 3.96Å; F166-M284 HydrophobicContact CG-CG 4.48Å; F166-M287 HydrophobicContact CD2-SD 4.49Å; F166-M287 HydrophobicContact CE2-SD 4.29Å; F166-L485 HydrophobicContact CE2-CD2 4.29Å; F166-L485 HydrophobicContact CZ-CD2 3.87Å; F166-V488 HydrophobicContact CE2-CG2 4.14Å; F166-V488 HydrophobicContact CZ-CG2 4.46Å
167Y93.2Very high90.1Very high8 Ų839.5 Ų39.53%0.03122%0.218CC..Hα-helixtrans-71.2-32.6-177.8-75.7-62.8000112.8R135 F148 I151 D163 L170 S171R135-Y167 PolarHBondContact NH2-OH 3.37Å; F148-Y167 HydrophobicContact CD1-CD1 4.03Å; F148-Y167 HydrophobicContact CD1-CE1 4.46Å; I151-Y167 HydrophobicContact CB-CD2 4.33Å; I151-Y167 HydrophobicContact CB-CG 4.27Å; I151-Y167 HydrophobicContact CG2-CD1 4.26Å; I151-Y167 HydrophobicContact CG2-CD2 3.49Å; I151-Y167 VanDerWaalsContact CG2-CD2 3.49Å; I151-Y167 HydrophobicContact CG2-CE1 4.25Å; I151-Y167 HydrophobicContact CG2-CE2 3.48Å; I151-Y167 VanDerWaalsContact CG2-CE2 3.48Å; I151-Y167 HydrophobicContact CG2-CG 3.89Å; D163-Y167 HydrophobicContact CB-CD2 4.41Å; D163-Y167 HydrophobicContact CB-CE2 4.5Å; D163-Y167 WeakPolarHBondContact O-CD2 3.44Å; D163-Y167 PolarHBondContact O-N 3.38Å; Y167-L170 HydrophobicContact CD1-CD1 4.03Å; Y167-L170 HydrophobicContact CE1-CD1 4.35Å; Y167-L170 PolarHBondContact O-N 2.94Å; Y167-S171 WeakPolarHBondContact O-CB 3.5Å; Y167-S171 PolarHBondContact O-N 2.98Å
168H94.5Very high90.3Very high3 Ų334.8 Ų34.81%0.01419%0.194CC..Hα-helixtrans-65.5-42169.6-84.8-55.6000111.3A152 A164 V165 L170 S171 T172 Y184 L185A152-H168 HydrophobicContact CB-CB 4.18Å; A152-H168 WeakPolarHBondContact CB-CD2 3.39Å; A152-H168 VanDerWaalsContact CB-CG 3.46Å; A152-H168 WeakPolarHBondContact CB-NE2 3.48Å; A164-H168 WeakPolarHBondContact O-CB 3.34Å; A164-H168 PolarHBondContact O-CD2 2.84Å; A164-H168 VanDerWaalsContact O-CD2 3.28Å; A164-H168 PolarHBondContact O-N 3.24Å; V165-H168 PolarHBondContact O-N 2.94Å; H168-L170 PolarHBondContact O-N 3.12Å; H168-S171 WeakPolarHBondContact O-CB 3.29Å; H168-S171 PolarHBondContact O-N 2.8Å; H168-S171 PolarHBondContact O-OG 3.39Å; H168-T172 WeakPolarHBondContact O-CG2 3.4Å; H168-T172 PolarHBondContact O-N 3.31Å; H168-Y184 VanDerWaalsContact CE1-CB 3.44Å; H168-Y184 WeakPolarHBondContact CE1-CB 3.34Å; H168-Y184 AromaticContact CE1-CD2 3.44Å; H168-Y184 VanDerWaalsContact CE1-CD2 3.44Å; H168-Y184 WeakPolarHBondContact CE1-CD2 3.39Å; H168-Y184 AromaticContact CE1-CG 3.49Å; H168-Y184 VanDerWaalsContact CE1-CG 3.49Å; H168-Y184 AromaticContact ND1-CD2 3.98Å; H168-Y184 AromaticContact NE2-CG 3.79Å; H168-L185 HydrophobicContact CB-CD2 3.67Å; H168-L185 HydrophobicContact CB-CG 3.89Å
169L93.7Very high90.5Very high1 Ų141 Ų411%0.00521%0.212CC..Hα-helixtrans-60.6-46.7175.4-172.766000110.9V165 F166 S171 T172 K173 L185 F227 Y231 M287V165-L169 VanDerWaalsContact O-CB 3.26Å; V165-L169 WeakPolarHBondContact O-CB 3.41Å; V165-L169 PolarHBondContact O-N 3.37Å; F166-L169 WeakPolarHBondContact O-CB 3.4Å; F166-L169 PolarHBondContact O-N 3.35Å; L169-S171 VanDerWaalsContact C-N 3.33Å; L169-S171 PolarHBondContact O-N 3.1Å; L169-T172 PolarHBondContact O-N 2.95Å; L169-T172 PolarHBondContact O-OG1 3.35Å; L169-K173 VanDerWaalsContact O-CG 3.31Å; L169-K173 WeakPolarHBondContact O-CG 3.4Å; L169-K173 PolarHBondContact O-N 2.96Å; L169-L185 HydrophobicContact CD1-CD1 4.22Å; L169-F227 HydrophobicContact CD2-CZ 3.89Å; L169-Y231 HydrophobicContact CD1-CE2 3.87Å; L169-M287 HydrophobicContact CB-CE 4.31Å; L169-M287 HydrophobicContact CD2-CB 3.74Å; L169-M287 HydrophobicContact CD2-CE 3.83Å; L169-M287 HydrophobicContact CD2-CG 4.36Å; L169-M287 HydrophobicContact CD2-SD 3.71Å; L169-M287 HydrophobicContact CG-CE 3.58Å; L169-M287 HydrophobicContact CG-SD 4.08Å
170L90.8Very high90.6Very high6 Ų640.8 Ų40.83%0.03121%0.207CC..Hα-helixtrans-57-45.2173.1-78178.3000112.2F148 F166 Y167 H168 T172 K173 V174 M287 A487 V488F148-L170 HydrophobicContact CD1-CB 4.22Å; F148-L170 HydrophobicContact CD1-CD1 4.13Å; F148-L170 HydrophobicContact CE1-CD1 4.18Å; F148-L170 HydrophobicContact CG-CB 4.38Å; F166-L170 HydrophobicContact CD1-CD1 4.08Å; F166-L170 HydrophobicContact CE1-CD1 3.4Å; F166-L170 HydrophobicContact CE1-CG 4.32Å; F166-L170 HydrophobicContact CE2-CD1 3.95Å; F166-L170 HydrophobicContact CE2-CG 4.1Å; F166-L170 HydrophobicContact CZ-CD1 3.33Å; F166-L170 HydrophobicContact CZ-CG 4Å; F166-L170 PolarHBondContact O-N 2.94Å; Y167-L170 HydrophobicContact CD1-CD1 4.03Å; Y167-L170 HydrophobicContact CE1-CD1 4.35Å; Y167-L170 PolarHBondContact O-N 2.94Å; H168-L170 PolarHBondContact O-N 3.12Å; L170-T172 PolarHBondContact O-N 3.45Å; L170-T172 VanDerWaalsContact O-N 3.09Å; L170-K173 PolarHBondContact O-N 3.34Å; L170-V174 PolarHBondContact O-N 2.91Å; L170-V174 VanDerWaalsContact O-N 3.15Å; L170-M287 HydrophobicContact CD2-CE 3.79Å; L170-M287 HydrophobicContact CD2-SD 3.93Å; L170-M287 HydrophobicContact CG-CE 4.31Å; L170-M287 HydrophobicContact CG-SD 4.31Å; L170-A487 HydrophobicContact CD2-CB 4.44Å; L170-V488 HydrophobicContact CD2-CG2 3.9Å
171S92.4Very high90.6Very high0 Ų039.4 Ų39.40%020%0.196CC..Hα-helixtrans-56.8-29.4-179.780.10000113G145 Y167 H168 L169 G177 C178G145-S171 VanDerWaalsContact O-CB 3.31Å; G145-S171 WeakPolarHBondContact O-CB 3.46Å; Y167-S171 WeakPolarHBondContact O-CB 3.5Å; Y167-S171 PolarHBondContact O-N 2.98Å; H168-S171 WeakPolarHBondContact O-CB 3.29Å; H168-S171 PolarHBondContact O-N 2.8Å; H168-S171 PolarHBondContact O-OG 3.39Å; L169-S171 VanDerWaalsContact C-N 3.33Å; L169-S171 PolarHBondContact O-N 3.1Å; S171-G177 CarbonylContact O-C 3.5Å; S171-G177 VanDerWaalsContact O-CA 3.26Å; S171-G177 WeakPolarHBondContact O-CA 3.48Å; S171-C178 PolarHBondContact O-N 3.42Å
172T91.3Very high90.3Very high25 Ų2542.1 Ų42.115%0.15321%0.208CC..Hα-helixtrans-86.2-18.3177.967.50000113.8H168 L169 L170 E182 L185H168-T172 WeakPolarHBondContact O-CG2 3.4Å; H168-T172 PolarHBondContact O-N 3.31Å; L169-T172 PolarHBondContact O-N 2.95Å; L169-T172 PolarHBondContact O-OG1 3.35Å; L170-T172 PolarHBondContact O-N 3.45Å; L170-T172 VanDerWaalsContact O-N 3.09Å; T172-E182 HydrophobicContact CG2-CG 3.83Å; T172-L185 HydrophobicContact CG2-CD1 4.39Å
173K87.1Confident90.2Very high90 Ų9048.9 Ų48.939%0.39124%0.24SC..Hα-helixtrans-105.3-16.4-169.8-67.1-59.4-178.6-176.60114.9L169 L170 M287L169-K173 VanDerWaalsContact O-CG 3.31Å; L169-K173 WeakPolarHBondContact O-CG 3.4Å; L169-K173 PolarHBondContact O-N 2.96Å; L170-K173 PolarHBondContact O-N 3.34Å; K173-M287 HydrophobicContact CB-CE 3.97Å; K173-M287 HydrophobicContact CG-CE 3.73Å
174V86Confident90.2Very high18 Ų1852 Ų5211%0.10925%0.249CC..SBendtrans-66.7161.1169.5-64.10000111.1G145 F148 L170 H176 G177G145-V174 VanDerWaalsContact CA-CG2 3.42Å; F148-V174 HydrophobicContact CD2-CG1 4.27Å; F148-V174 HydrophobicContact CE2-CG1 3.82Å; F148-V174 HydrophobicContact CZ-CG1 4.43Å; L170-V174 PolarHBondContact O-N 2.91Å; L170-V174 VanDerWaalsContact O-N 3.15Å; V174-H176 PolarHBondContact O-N 2.82Å; V174-G177 PolarHBondContact O-N 2.78Å
175E84.7Confident90.2Very high146 Ų14652 Ų5268%0.68225%0.249SC*.THydrogen-bonded Turntrans-53.1-48.4-174.4-175.9178.5-164.100112.9M143 G177M143-E175 HydrophobicContact CB-CB 4.28Å; M143-E175 HydrophobicContact SD-CB 4.47Å; E175-G177 PolarHBondContact O-N 3.47Å
176H88.7Confident90Very high99 Ų9955.3 Ų55.346%0.45827%0.267SS..BIsolated β-bridgetrans-96.766.7174.2-51.393.2000109.4M143 G145 V174M143-H176 WeakPolarHBondContact O-CB 3.5Å; M143-H176 PolarHBondContact O-N 3.35Å; M143-H176 PolarHBondContact O-ND1 3.03Å; G145-H176 PolarHBondContact N-O 3.4Å; V174-H176 PolarHBondContact O-N 2.82Å
177G87.1Confident90Very high37 Ų3762.1 Ų62.138%0.38129%0.294SS..  trans-61.4144.8-176.100000114S171 V174 E175S171-G177 CarbonylContact O-C 3.5Å; S171-G177 VanDerWaalsContact O-CA 3.26Å; S171-G177 WeakPolarHBondContact O-CA 3.48Å; V174-G177 PolarHBondContact O-N 2.78Å; E175-G177 PolarHBondContact O-N 3.47Å
178C86.9Confident90.1Very high18 Ų1862.9 Ų62.912%0.12230%0.298CS..  trans-88.6112.8176.5-1780000110.2S171 E180 G181S171-C178 PolarHBondContact O-N 3.42Å; C178-E180 VanDerWaalsContact C-N 3.27Å; C178-E180 PolarHBondContact O-N 2.74Å; C178-E180 PolarHBondContact SG-OE2 2.97Å; C178-G181 PolarHBondContact O-N 3.24Å
179K85.5Confident90.1Very high180 Ų18062.8 Ų62.878%0.78330%0.298SS*.THydrogen-bonded Turntrans-63.8-34.3-178.1-68.1-176.6179.1179.60112.4G181 E182K179-G181 PolarHBondContact O-N 2.97Å; K179-E182 PolarHBondContact O-N 3.41Å
180E86Confident90.2Very high104 Ų10467.8 Ų67.849%0.48632%0.321SS..Hα-helixtrans-61.6-26.9176.1-59.683.5171.200111.5C178 E182 Q183 Y184C178-E180 VanDerWaalsContact C-N 3.27Å; C178-E180 PolarHBondContact O-N 2.74Å; C178-E180 PolarHBondContact SG-OE2 2.97Å; E180-E182 VanDerWaalsContact C-N 3.28Å; E180-E182 PolarHBondContact O-N 2.74Å; E180-Q183 WeakPolarHBondContact O-CB 3.23Å; E180-Q183 PolarHBondContact O-N 3.07Å; E180-Q183 VanDerWaalsContact O-N 3.11Å; E180-Y184 HydrophobicContact CB-CD2 4.33Å; E180-Y184 HydrophobicContact CB-CE2 3.98Å; E180-Y184 WeakPolarHBondContact O-CD2 3.11Å; E180-Y184 PolarHBondContact O-N 3.14Å; E180-Y184 VanDerWaalsContact O-N 3.13Å
181G87Confident90.3Very high0 Ų070.4 Ų70.40%034%0.337CS..Hα-helixtrans-56.2-37.9177.500000113.4C178 K179 Q183 Y184 L185C178-G181 PolarHBondContact O-N 3.24Å; K179-G181 PolarHBondContact O-N 2.97Å; G181-Q183 PolarHBondContact O-N 3.33Å; G181-Y184 PolarHBondContact O-N 3.02Å; G181-L185 WeakPolarHBondContact O-CG 3.47Å; G181-L185 PolarHBondContact O-N 3.12Å
182E88.5Confident90.5Very high105 Ų10570.7 Ų70.749%0.49134%0.339SS..Hα-helixtrans-67-37.2177.6-67.6-168.7160.800112.5T172 K179 E180 L185 D186T172-E182 HydrophobicContact CG2-CG 3.83Å; K179-E182 PolarHBondContact O-N 3.41Å; E180-E182 VanDerWaalsContact C-N 3.28Å; E180-E182 PolarHBondContact O-N 2.74Å; E182-L185 PolarHBondContact O-N 3.24Å; E182-D186 PolarHBondContact O-N 3.37Å
183Q92.1Very high90.6Very high144 Ų14470.3 Ų70.367%0.67334%0.336SS*.Hα-helixtrans-67.4-39.4177.6-62.4177.4-0.500111.1E180 G181 D186 Y187E180-Q183 WeakPolarHBondContact O-CB 3.23Å; E180-Q183 PolarHBondContact O-N 3.07Å; E180-Q183 VanDerWaalsContact O-N 3.11Å; G181-Q183 PolarHBondContact O-N 3.33Å; Q183-D186 PolarHBondContact O-N 2.98Å; Q183-Y187 PolarHBondContact O-N 3.45Å
184Y92.8Very high91Very high106 Ų10671.4 Ų71.442%0.41634%0.341SS..Hα-helixtrans-66.9-39.4174.8-71.2-64.3000112.4H168 E180 G181 Y187 L188H168-Y184 VanDerWaalsContact CE1-CB 3.44Å; H168-Y184 WeakPolarHBondContact CE1-CB 3.34Å; H168-Y184 AromaticContact CE1-CD2 3.44Å; H168-Y184 VanDerWaalsContact CE1-CD2 3.44Å; H168-Y184 WeakPolarHBondContact CE1-CD2 3.39Å; H168-Y184 AromaticContact CE1-CG 3.49Å; H168-Y184 VanDerWaalsContact CE1-CG 3.49Å; H168-Y184 AromaticContact ND1-CD2 3.98Å; H168-Y184 AromaticContact NE2-CG 3.79Å; E180-Y184 HydrophobicContact CB-CD2 4.33Å; E180-Y184 HydrophobicContact CB-CE2 3.98Å; E180-Y184 WeakPolarHBondContact O-CD2 3.11Å; E180-Y184 PolarHBondContact O-N 3.14Å; E180-Y184 VanDerWaalsContact O-N 3.13Å; G181-Y184 PolarHBondContact O-N 3.02Å; Y184-Y187 PolarHBondContact O-N 3.15Å; Y184-L188 WeakPolarHBondContact O-CB 3.5Å; Y184-L188 VanDerWaalsContact O-CG 3.3Å; Y184-L188 WeakPolarHBondContact O-CG 3.06Å; Y184-L188 PolarHBondContact O-N 3.37Å
185L94.1Very high91.3Very high1 Ų173.5 Ų73.51%0.00535%0.349CS..Hα-helixtrans-58.8-47.5173.9-73172.1000111.3V165 H168 L169 T172 G181 E182 Y187 L188 F189V165-L185 HydrophobicContact CB-CD2 4.46Å; V165-L185 HydrophobicContact CG1-CD2 3.89Å; H168-L185 HydrophobicContact CB-CD2 3.67Å; H168-L185 HydrophobicContact CB-CG 3.89Å; L169-L185 HydrophobicContact CD1-CD1 4.22Å; T172-L185 HydrophobicContact CG2-CD1 4.39Å; G181-L185 WeakPolarHBondContact O-CG 3.47Å; G181-L185 PolarHBondContact O-N 3.12Å; E182-L185 PolarHBondContact O-N 3.24Å; L185-Y187 VanDerWaalsContact C-N 3.33Å; L185-Y187 PolarHBondContact O-N 3.33Å; L185-L188 PolarHBondContact O-N 2.84Å; L185-F189 HydrophobicContact CB-CD2 4.43Å; L185-F189 HydrophobicContact CB-CE2 4.02Å; L185-F189 HydrophobicContact CD2-CE2 4.49Å; L185-F189 HydrophobicContact CD2-CZ 4.32Å; L185-F189 WeakPolarHBondContact O-CB 3.22Å; L185-F189 WeakPolarHBondContact O-CD2 3.37Å; L185-F189 VanDerWaalsContact O-CG 3.26Å; L185-F189 WeakPolarHBondContact O-CG 3.3Å; L185-F189 PolarHBondContact O-N 3.21Å
186D93.5Very high91.6Very high70 Ų7066.9 Ų66.937%0.37432%0.318SS..Hα-helixtrans-61.9-41.4179.3-72.2-18000111.8E182 Q183 E190 K232E182-D186 PolarHBondContact O-N 3.37Å; Q183-D186 PolarHBondContact O-N 2.98Å; D186-E190 WeakPolarHBondContact O-CB 3.22Å; D186-E190 PolarHBondContact O-N 2.93Å; D186-K232 IonicContact OD1-NZ 3.81Å; D186-K232 PolarHBondContact OD1-NZ 3.08Å; D186-K232 IonicContact OD2-NZ 3.7Å; D186-K232 PolarHBondContact OD2-NZ 3.01Å; D186-K232 VanDerWaalsContact OD2-NZ 3.08Å
187Y94.5Very high91.8Very high144 Ų14466.9 Ų66.957%0.56532%0.317SS*.Hα-helixtrans-61.7-48.6173.7172.1-101.9000112.6Q183 Y184 L185 F189 E190 V191Q183-Y187 PolarHBondContact O-N 3.45Å; Y184-Y187 PolarHBondContact O-N 3.15Å; L185-Y187 VanDerWaalsContact C-N 3.33Å; L185-Y187 PolarHBondContact O-N 3.33Å; Y187-F189 VanDerWaalsContact C-N 3.34Å; Y187-F189 PolarHBondContact O-N 2.98Å; Y187-E190 PolarHBondContact O-N 3.21Å; Y187-V191 HydrophobicContact CD2-CG2 4.22Å; Y187-V191 HydrophobicContact CE1-CG2 4.12Å; Y187-V191 HydrophobicContact CE2-CG2 3.77Å; Y187-V191 WeakPolarHBondContact O-CG2 3.38Å; Y187-V191 PolarHBondContact O-N 2.97Å
188L94.4Very high92Very high24 Ų2472.1 Ų72.113%0.12633%0.331CS..Hα-helixtrans-63.1-40.3-179.4-72.4174.1000111.7A156 A164 V165 Y184 L185 N192A156-L188 HydrophobicContact CB-CD2 4.42Å; A164-L188 HydrophobicContact CB-CD1 4.02Å; V165-L188 HydrophobicContact CG2-CB 4.18Å; V165-L188 HydrophobicContact CG2-CD1 4.01Å; Y184-L188 WeakPolarHBondContact O-CB 3.5Å; Y184-L188 VanDerWaalsContact O-CG 3.3Å; Y184-L188 WeakPolarHBondContact O-CG 3.06Å; Y184-L188 PolarHBondContact O-N 3.37Å; L185-L188 PolarHBondContact O-N 2.84Å; L188-N192 VanDerWaalsContact O-CB 3.23Å; L188-N192 WeakPolarHBondContact O-CB 3.21Å; L188-N192 PolarHBondContact O-N 2.96Å
189F95.7Very high92Very high0 Ų073.7 Ų73.70%034%0.337CS..Hα-helixtrans-65.3-42.9175.5-67.4-37.4000112.3V165 L185 Y187 V191 N192 D193 F227 H228 Y231V165-F189 HydrophobicContact CG1-CE1 3.77Å; V165-F189 HydrophobicContact CG1-CZ 3.9Å; V165-F189 HydrophobicContact CG2-CE1 4.25Å; L185-F189 HydrophobicContact CB-CD2 4.43Å; L185-F189 HydrophobicContact CB-CE2 4.02Å; L185-F189 HydrophobicContact CD2-CE2 4.49Å; L185-F189 HydrophobicContact CD2-CZ 4.32Å; L185-F189 WeakPolarHBondContact O-CB 3.22Å; L185-F189 WeakPolarHBondContact O-CD2 3.37Å; L185-F189 VanDerWaalsContact O-CG 3.26Å; L185-F189 WeakPolarHBondContact O-CG 3.3Å; L185-F189 PolarHBondContact O-N 3.21Å; Y187-F189 VanDerWaalsContact C-N 3.34Å; Y187-F189 PolarHBondContact O-N 2.98Å; F189-V191 PolarHBondContact O-N 3.14Å; F189-N192 PolarHBondContact O-N 3.43Å; F189-D193 WeakPolarHBondContact O-CB 3.45Å; F189-D193 PolarHBondContact O-N 3.04Å; F189-F227 AromaticContact CE1-CD1 3.87Å; F189-F227 HydrophobicContact CE1-CD1 3.87Å; F189-F227 HydrophobicContact CE1-CE1 4.36Å; F189-F227 AromaticContact CZ-CD1 3.78Å; F189-F227 HydrophobicContact CZ-CD1 3.78Å; F189-F227 AromaticContact CZ-CE1 3.84Å; F189-F227 HydrophobicContact CZ-CE1 3.84Å; F189-H228 HydrophobicContact CB-CB 4.27Å; F189-H228 HydrophobicContact CD1-CB 3.72Å; F189-H228 HydrophobicContact CD2-CB 4.48Å; F189-H228 AromaticContact CD2-CD2 3.48Å; F189-H228 VanDerWaalsContact CD2-CD2 3.48Å; F189-H228 WeakPolarHBondContact CD2-CD2 3.24Å; F189-H228 HydrophobicContact CE1-CB 4.18Å; F189-H228 HydrophobicContact CG-CB 3.92Å; F189-H228 AromaticContact CG-CD2 3.54Å; F189-H228 AromaticContact CG-CG 3.65Å; F189-Y231 AromaticContact CE2-CD1 3.9Å; F189-Y231 HydrophobicContact CE2-CD1 3.9Å; F189-Y231 HydrophobicContact CE2-CE1 4.31Å; F189-Y231 HydrophobicContact CZ-CD1 4.38Å
190E94.7Very high92Very high107 Ų10767.7 Ų67.750%0.531%0.311SS..Hα-helixtrans-62.3-43177.3-169.2-169151.900112D186 Y187 K194D186-E190 WeakPolarHBondContact O-CB 3.22Å; D186-E190 PolarHBondContact O-N 2.93Å; Y187-E190 PolarHBondContact O-N 3.21Å; E190-K194 WeakPolarHBondContact O-CG 3.44Å; E190-K194 PolarHBondContact O-N 3.34Å; E190-K194 WeakPolarHBondContact OE1-CE 3.44Å; E190-K194 IonicContact OE1-NZ 3.05Å; E190-K194 PolarHBondContact OE1-NZ 2.66Å
191V94.2Very high91.8Very high60 Ų6068.3 Ų68.336%0.36432%0.318SS..Hα-helixtrans-64.7-45.6176.5173.30000110.7Y187 F189 D193 K194 Q195Y187-V191 HydrophobicContact CD2-CG2 4.22Å; Y187-V191 HydrophobicContact CE1-CG2 4.12Å; Y187-V191 HydrophobicContact CE2-CG2 3.77Å; Y187-V191 WeakPolarHBondContact O-CG2 3.38Å; Y187-V191 PolarHBondContact O-N 2.97Å; F189-V191 PolarHBondContact O-N 3.14Å; V191-D193 PolarHBondContact O-N 3.24Å; V191-K194 PolarHBondContact O-N 2.93Å; V191-Q195 PolarHBondContact O-N 2.91Å; V191-Q195 VanDerWaalsContact O-N 3.15Å
192N95.5Very high91.4Very high6 Ų673.4 Ų73.43%0.03234%0.342CS..Hα-helixtrans-61.8-44.3179.2-175.180.4000112.3L188 F189 K194 Q195 Y196 C221 L224 H225L188-N192 VanDerWaalsContact O-CB 3.23Å; L188-N192 WeakPolarHBondContact O-CB 3.21Å; L188-N192 PolarHBondContact O-N 2.96Å; F189-N192 PolarHBondContact O-N 3.43Å; N192-K194 VanDerWaalsContact C-N 3.34Å; N192-K194 PolarHBondContact O-N 3.36Å; N192-Q195 WeakPolarHBondContact O-CB 3.37Å; N192-Q195 PolarHBondContact O-N 2.92Å; N192-Q195 VanDerWaalsContact O-N 3.17Å; N192-Y196 WeakPolarHBondContact O-CB 3.23Å; N192-Y196 PolarHBondContact O-N 3.18Å; N192-C221 PolarHBondContact ND2-O 3.38Å; N192-C221 VanDerWaalsContact OD1-CA 3.29Å; N192-C221 WeakPolarHBondContact OD1-CA 3.43Å; N192-L224 HydrophobicContact CB-CB 4.49Å; N192-L224 WeakPolarHBondContact ND2-CB 3.36Å; N192-H225 PolarHBondContact ND2-N 3.05Å
193D94.2Very high90.9Very high18 Ų1869.4 Ų69.410%0.09632%0.324CS..Hα-helixtrans-63.5-40.4179.6-78.3-12.3000111.4F189 V191 Q195 Y196 F197 H225 H228F189-D193 WeakPolarHBondContact O-CB 3.45Å; F189-D193 PolarHBondContact O-N 3.04Å; V191-D193 PolarHBondContact O-N 3.24Å; D193-Q195 VanDerWaalsContact C-N 3.29Å; D193-Q195 PolarHBondContact O-N 2.79Å; D193-Y196 PolarHBondContact O-N 3.44Å; D193-F197 HydrophobicContact CB-CD2 4.5Å; D193-F197 HydrophobicContact CB-CE2 4.2Å; D193-F197 WeakPolarHBondContact O-CD2 3.34Å; D193-F197 PolarHBondContact O-N 3.28Å; D193-H225 IonicContact OD1-CE1 3.48Å; D193-H225 IonicContact OD1-CG 3.88Å; D193-H225 IonicContact OD1-ND1 2.91Å; D193-H225 PolarHBondContact OD1-ND1 3.26Å; D193-H228 IonicContact OD1-ND1 3.23Å; D193-H228 IonicContact OD2-CE1 3.48Å; D193-H228 PolarHBondContact OD2-CE1 3.18Å; D193-H228 VanDerWaalsContact OD2-CE1 3.24Å; D193-H228 IonicContact OD2-ND1 3.35Å; D193-H228 PolarHBondContact OD2-ND1 3.18Å
194K94.4Very high90.1Very high113 Ų11367.8 Ų67.849%0.49132%0.315SS..Hα-helixtrans-57.8-43.7173.1-73.4170.8-173.2165.40111.5E190 V191 N192 Q198E190-K194 WeakPolarHBondContact O-CG 3.44Å; E190-K194 PolarHBondContact O-N 3.34Å; E190-K194 WeakPolarHBondContact OE1-CE 3.44Å; E190-K194 IonicContact OE1-NZ 3.05Å; E190-K194 PolarHBondContact OE1-NZ 2.66Å; V191-K194 PolarHBondContact O-N 2.93Å; N192-K194 VanDerWaalsContact C-N 3.34Å; N192-K194 PolarHBondContact O-N 3.36Å; K194-Q198 VanDerWaalsContact O-CG 3.28Å; K194-Q198 WeakPolarHBondContact O-CG 3.49Å; K194-Q198 PolarHBondContact O-N 2.8Å
195Q91.9Very high89.1Confident62 Ų6270 Ų7029%0.2933%0.327SS..Hα-helixtrans-67.5-41.1176.8-173.1176.93.800111.7V191 N192 D193 F197 Q198 H199V191-Q195 PolarHBondContact O-N 2.91Å; V191-Q195 VanDerWaalsContact O-N 3.15Å; N192-Q195 WeakPolarHBondContact O-CB 3.37Å; N192-Q195 PolarHBondContact O-N 2.92Å; N192-Q195 VanDerWaalsContact O-N 3.17Å; D193-Q195 VanDerWaalsContact C-N 3.29Å; D193-Q195 PolarHBondContact O-N 2.79Å; Q195-F197 PolarHBondContact O-N 3.21Å; Q195-Q198 WeakPolarHBondContact O-CB 3.39Å; Q195-Q198 PolarHBondContact O-N 3.4Å; Q195-Q198 VanDerWaalsContact O-N 3.15Å; Q195-H199 PolarHBondContact O-CD2 3.01Å; Q195-H199 VanDerWaalsContact O-CD2 3.28Å; Q195-H199 PolarHBondContact O-N 3.17Å
196Y92.6Very high88Confident6 Ų671.6 Ų71.62%0.02434%0.335CS..Hα-helixtrans-58.4-48.4177-179.1-89.8000111N192 D193 Q198 H199 E200 L203 C221 H225N192-Y196 WeakPolarHBondContact O-CB 3.23Å; N192-Y196 PolarHBondContact O-N 3.18Å; D193-Y196 PolarHBondContact O-N 3.44Å; Y196-Q198 VanDerWaalsContact C-N 3.27Å; Y196-Q198 PolarHBondContact O-N 3.39Å; Y196-H199 CarbonylContact O-C 3.58Å; Y196-H199 PolarHBondContact O-N 3.15Å; Y196-E200 HydrophobicContact CE1-CB 4.5Å; Y196-E200 HydrophobicContact CE1-CG 4.29Å; Y196-E200 WeakPolarHBondContact O-CA 3.46Å; Y196-E200 PolarHBondContact O-N 3.46Å; Y196-L203 HydrophobicContact CD2-CD1 3.72Å; Y196-L203 HydrophobicContact CE2-CD1 3.52Å; Y196-C221 WeakPolarHBondContact CA-SG 3.44Å; Y196-C221 PolarHBondContact N-SG 2.95Å; Y196-C221 VanDerWaalsContact N-SG 3.4Å; Y196-H225 AromaticContact CD1-CD2 3.71Å; Y196-H225 AromaticContact CD1-CE1 3.71Å; Y196-H225 AromaticContact CD1-CG 3.77Å; Y196-H225 AromaticContact CD1-ND1 3.79Å; Y196-H225 AromaticContact CD1-NE2 3.69Å; Y196-H225 HydrophobicContact CD2-CB 3.66Å; Y196-H225 AromaticContact CD2-CD2 3.96Å; Y196-H225 AromaticContact CD2-CG 3.76Å; Y196-H225 AromaticContact CE1-CD2 3.47Å; Y196-H225 VanDerWaalsContact CE1-CD2 3.47Å; Y196-H225 WeakPolarHBondContact CE1-CD2 3.49Å; Y196-H225 AromaticContact CE1-CE1 3.95Å; Y196-H225 AromaticContact CE1-NE2 3.44Å; Y196-H225 WeakPolarHBondContact CE1-NE2 3.44Å; Y196-H225 HydrophobicContact CE2-CB 4.08Å; Y196-H225 AromaticContact CE2-CD2 3.72Å; Y196-H225 AromaticContact CE2-CG 3.99Å; Y196-H225 HydrophobicContact CG-CB 3.91Å; Y196-H225 AromaticContact CG-CD2 3.95Å; Y196-H225 AromaticContact CG-CG 3.64Å; Y196-H225 AromaticContact CG-ND1 3.89Å; Y196-H225 AromaticContact CZ-CD2 3.48Å; Y196-H225 VanDerWaalsContact CZ-CD2 3.48Å; Y196-H225 AromaticContact CZ-NE2 3.91Å
197F92Very high86.6Confident100 Ų10074.2 Ų74.244%0.43935%0.345SS..Hα-helixtrans-64.9-28178.1-69-58.7000113.4D193 Q195 H199D193-F197 HydrophobicContact CB-CD2 4.5Å; D193-F197 HydrophobicContact CB-CE2 4.2Å; D193-F197 WeakPolarHBondContact O-CD2 3.34Å; D193-F197 PolarHBondContact O-N 3.28Å; Q195-F197 PolarHBondContact O-N 3.21Å; F197-H199 VanDerWaalsContact C-N 3.3Å
198Q91.5Very high84.9Confident147 Ų14770.3 Ų70.369%0.68733%0.329SS*.Hα-helixtrans-67.8-31.6172-71.3168.1300112.3K194 Q195 Y196K194-Q198 VanDerWaalsContact O-CG 3.28Å; K194-Q198 WeakPolarHBondContact O-CG 3.49Å; K194-Q198 PolarHBondContact O-N 2.8Å; Q195-Q198 WeakPolarHBondContact O-CB 3.39Å; Q195-Q198 PolarHBondContact O-N 3.4Å; Q195-Q198 VanDerWaalsContact O-N 3.15Å; Y196-Q198 VanDerWaalsContact C-N 3.27Å; Y196-Q198 PolarHBondContact O-N 3.39Å
199H87.4Confident83.2Confident51 Ų5172.9 Ų72.924%0.23634%0.343CS..Hα-helixtrans-1050.8-178.3-67.7-74.1000114.4Q195 Y196 F197 N201 Q202 L203 L218Q195-H199 PolarHBondContact O-CD2 3.01Å; Q195-H199 VanDerWaalsContact O-CD2 3.28Å; Q195-H199 PolarHBondContact O-N 3.17Å; Y196-H199 CarbonylContact O-C 3.58Å; Y196-H199 PolarHBondContact O-N 3.15Å; F197-H199 VanDerWaalsContact C-N 3.3Å; H199-N201 VanDerWaalsContact C-N 3.29Å; H199-N201 PolarHBondContact O-N 3.19Å; H199-Q202 PolarHBondContact ND1-OE1 3.45Å; H199-Q202 WeakPolarHBondContact O-CA 3.25Å; H199-Q202 WeakPolarHBondContact O-CB 2.96Å; H199-Q202 PolarHBondContact O-N 2.88Å; H199-L203 HydrophobicContact CB-CD1 4.43Å; H199-L203 PolarHBondContact O-N 2.92Å; H199-L218 HydrophobicContact CB-CD1 4.31Å; H199-L218 HydrophobicContact CB-CD2 3.98Å
200E85.5Confident81.9Confident53 Ų5377.5 Ų77.525%0.24837%0.365CS..Hα-helixtrans-54.6-44.3-173.3-176.9-177.5-168.400112.3Y196 Q202 L203 K204Y196-E200 HydrophobicContact CE1-CB 4.5Å; Y196-E200 HydrophobicContact CE1-CG 4.29Å; Y196-E200 WeakPolarHBondContact O-CA 3.46Å; Y196-E200 PolarHBondContact O-N 3.46Å; E200-Q202 VanDerWaalsContact C-N 3.27Å; E200-Q202 PolarHBondContact O-N 3.49Å; E200-L203 PolarHBondContact O-N 3.27Å; E200-K204 HydrophobicContact CG-CD 4.03Å; E200-K204 HydrophobicContact CG-CG 4.46Å; E200-K204 WeakPolarHBondContact O-CB 3.3Å; E200-K204 WeakPolarHBondContact O-CG 3.38Å; E200-K204 PolarHBondContact O-N 3.35Å; E200-K204 VanDerWaalsContact OE1-CE 3.26Å; E200-K204 WeakPolarHBondContact OE1-CE 3.44Å; E200-K204 IonicContact OE1-NZ 3.61Å; E200-K204 PolarHBondContact OE1-NZ 2.89Å
201N81.2Confident80.8Confident118 Ų11872.8 Ų72.863%0.63134%0.343SS*.Hα-helixtrans-64.6-31.4178.3-75.6-38.5000113.1H199 K205H199-N201 VanDerWaalsContact C-N 3.29Å; H199-N201 PolarHBondContact O-N 3.19Å; N201-K205 WeakPolarHBondContact O-CB 3.47Å; N201-K205 WeakPolarHBondContact O-CD 3.5Å; N201-K205 VanDerWaalsContact O-CG 3.25Å; N201-K205 WeakPolarHBondContact O-CG 3.49Å
202Q79Confident79.8Confident107 Ų10772.8 Ų72.850%0.534%0.341SS..Hα-helixtrans-73.1-52.7174.7-66176-18.200108.9H199 E200 K204 K205 L206H199-Q202 PolarHBondContact ND1-OE1 3.45Å; H199-Q202 WeakPolarHBondContact O-CA 3.25Å; H199-Q202 WeakPolarHBondContact O-CB 2.96Å; H199-Q202 PolarHBondContact O-N 2.88Å; E200-Q202 VanDerWaalsContact C-N 3.27Å; E200-Q202 PolarHBondContact O-N 3.49Å; Q202-K204 VanDerWaalsContact C-N 3.29Å; Q202-K204 PolarHBondContact O-N 3.47Å; Q202-K205 PolarHBondContact O-N 3Å; Q202-L206 HydrophobicContact CB-CD1 4.31Å; Q202-L206 WeakPolarHBondContact O-CB 3.43Å; Q202-L206 VanDerWaalsContact O-CD1 3.3Å; Q202-L206 WeakPolarHBondContact O-CD1 3.45Å; Q202-L206 PolarHBondContact O-N 2.89Å
203L77.9Confident78.6Confident20 Ų2074.2 Ų74.211%0.10535%0.353CS..Hα-helixtrans-54.9-40.8-179.8-75.3167.9000113.2Y196 H199 E200 L218 F252Y196-L203 HydrophobicContact CD2-CD1 3.72Å; Y196-L203 HydrophobicContact CE2-CD1 3.52Å; H199-L203 HydrophobicContact CB-CD1 4.43Å; H199-L203 PolarHBondContact O-N 2.92Å; E200-L203 PolarHBondContact O-N 3.27Å; L203-L218 HydrophobicContact CD2-CB 3.9Å; L203-L218 HydrophobicContact CD2-CD1 3.96Å; L203-L218 HydrophobicContact CG-CD1 4.14Å; L203-F252 HydrophobicContact CD2-CD1 4.1Å; L203-F252 HydrophobicContact CD2-CE1 3.92Å; L203-F252 HydrophobicContact CD2-CG 4.49Å; L203-F252 HydrophobicContact CD2-CZ 4.22Å
204K75.3Confident77.8Confident110 Ų11077 Ų7748%0.47837%0.371SS..Hα-helixtrans-74.6-22.6179.4-71.4-176.3-178.8177.80114.5E200 Q202E200-K204 HydrophobicContact CG-CD 4.03Å; E200-K204 HydrophobicContact CG-CG 4.46Å; E200-K204 WeakPolarHBondContact O-CB 3.3Å; E200-K204 WeakPolarHBondContact O-CG 3.38Å; E200-K204 PolarHBondContact O-N 3.35Å; E200-K204 VanDerWaalsContact OE1-CE 3.26Å; E200-K204 WeakPolarHBondContact OE1-CE 3.44Å; E200-K204 IonicContact OE1-NZ 3.61Å; E200-K204 PolarHBondContact OE1-NZ 2.89Å; Q202-K204 VanDerWaalsContact C-N 3.29Å; Q202-K204 PolarHBondContact O-N 3.47Å
205K72.8Confident77.2Confident154 Ų15472.9 Ų72.967%0.6736%0.355SS*.Hα-helixtrans-97.3-12.6179.7-71.3-179-178.2-177.60113.3N201 Q202 E207 Q210N201-K205 WeakPolarHBondContact O-CB 3.47Å; N201-K205 WeakPolarHBondContact O-CD 3.5Å; N201-K205 VanDerWaalsContact O-CG 3.25Å; N201-K205 WeakPolarHBondContact O-CG 3.49Å; Q202-K205 PolarHBondContact O-N 3Å; K205-E207 PolarHBondContact O-N 3.45Å; K205-Q210 PolarHBondContact O-OE1 3.45Å
206L69.6Low76.8Confident33 Ų3369.9 Ų69.917%0.17334%0.341CS..  trans-64.3100.9-175.8-113.4129.7000109.9Q202 Q210 V211 T215 F252Q202-L206 HydrophobicContact CB-CD1 4.31Å; Q202-L206 WeakPolarHBondContact O-CB 3.43Å; Q202-L206 VanDerWaalsContact O-CD1 3.3Å; Q202-L206 WeakPolarHBondContact O-CD1 3.45Å; Q202-L206 PolarHBondContact O-N 2.89Å; L206-Q210 HydrophobicContact CD2-CB 4.34Å; L206-Q210 HydrophobicContact CG-CB 4.48Å; L206-V211 HydrophobicContact CD2-CB 4.37Å; L206-V211 HydrophobicContact CD2-CG2 3.43Å; L206-V211 VanDerWaalsContact CD2-CG2 3.43Å; L206-T215 HydrophobicContact CD1-CG2 4.26Å; L206-T215 HydrophobicContact CD2-CG2 3.95Å; L206-F252 HydrophobicContact CD2-CE2 4.46Å
207E64.1Low76.5Confident125 Ų12575.2 Ų75.258%0.58437%0.365SS*.  trans-81.5162168-69.8-177.4175.400110.2K205 L209 Q210K205-E207 PolarHBondContact O-N 3.45Å; E207-L209 PolarHBondContact O-N 3.45Å; E207-L209 VanDerWaalsContact O-N 3.07Å; E207-Q210 WeakPolarHBondContact O-CB 3.47Å; E207-Q210 PolarHBondContact O-N 3.01Å
208Y59.5Low76.4Confident62 Ų6271.1 Ų71.124%0.24335%0.347CS..G310 helixtrans-53.5-34.9-174.176.5-81.4000114Q210 V211 T562Y208-Q210 VanDerWaalsContact C-N 3.29Å; Y208-Q210 PolarHBondContact O-N 2.88Å; Y208-V211 PolarHBondContact O-N 3.01Å; Y208-T562 HydrophobicContact CE1-CG2 3.7Å; Y208-T562 VanDerWaalsContact OH-CB 3.28Å; Y208-T562 WeakPolarHBondContact OH-CB 3.19Å; Y208-T562 WeakPolarHBondContact OH-CG2 3.5Å
209L59.2Low76.5Confident78 Ų7864.2 Ų64.241%0.40832%0.315SS..G310 helixtrans-73.4-20.2178.8-64.9165.6000114.1E207 V211 L566E207-L209 PolarHBondContact O-N 3.45Å; E207-L209 VanDerWaalsContact O-N 3.07Å; L209-V211 VanDerWaalsContact C-N 3.32Å; L209-L566 HydrophobicContact CD1-CD1 3.36Å; L209-L566 HydrophobicContact CD1-CD2 4.09Å; L209-L566 HydrophobicContact CD1-CG 4.33Å; L209-L566 HydrophobicContact CD2-CD1 3.44Å; L209-L566 VanDerWaalsContact CD2-CD1 3.44Å; L209-L566 HydrophobicContact CG-CD1 3.99Å
210Q68.6Low76.8Confident98 Ų9862.1 Ų62.146%0.45831%0.306SS..G310 helixtrans-87.8-11.3-178.1-61.5178.4-13.200111.2K205 L206 E207 Y208 N212K205-Q210 PolarHBondContact O-OE1 3.45Å; L206-Q210 HydrophobicContact CD2-CB 4.34Å; L206-Q210 HydrophobicContact CG-CB 4.48Å; E207-Q210 WeakPolarHBondContact O-CB 3.47Å; E207-Q210 PolarHBondContact O-N 3.01Å; Y208-Q210 VanDerWaalsContact C-N 3.29Å; Y208-Q210 PolarHBondContact O-N 2.88Å; Q210-N212 PolarHBondContact O-N 3Å
211V70.6Confident77.3Confident8 Ų859.8 Ų59.85%0.04830%0.296CS..  trans-73.5121.6174.2179.50000109.9L206 Y208 L209 T215 T216 F252 A255 Y259L206-V211 HydrophobicContact CD2-CB 4.37Å; L206-V211 HydrophobicContact CD2-CG2 3.43Å; L206-V211 VanDerWaalsContact CD2-CG2 3.43Å; Y208-V211 PolarHBondContact O-N 3.01Å; L209-V211 VanDerWaalsContact C-N 3.32Å; V211-T215 VanDerWaalsContact CA-OG1 3.25Å; V211-T215 WeakPolarHBondContact CA-OG1 3.24Å; V211-T216 HydrophobicContact CG1-CG2 3.98Å; V211-F252 HydrophobicContact CG2-CD2 4.4Å; V211-F252 HydrophobicContact CG2-CE2 4.35Å; V211-A255 HydrophobicContact CB-CB 4.27Å; V211-A255 HydrophobicContact CG2-CB 3.47Å; V211-A255 VanDerWaalsContact CG2-CB 3.47Å; V211-Y259 HydrophobicContact CG1-CG 4.33Å; V211-Y259 VanDerWaalsContact O-CD2 3.24Å; V211-Y259 WeakPolarHBondContact O-CD2 3.47Å
212N73Confident77.9Confident59 Ų5954.4 Ų54.432%0.31627%0.267SS..  trans-140.6-179.3174.660.436.1000110.6Q210 V214 T215 T216 Y259Q210-N212 PolarHBondContact O-N 3Å; N212-V214 PolarHBondContact O-N 3.08Å; N212-V214 WeakPolarHBondContact OD1-CA 3.35Å; N212-V214 VanDerWaalsContact OD1-CB 3.27Å; N212-V214 WeakPolarHBondContact OD1-CB 3.47Å; N212-V214 PolarHBondContact OD1-N 3.01Å; N212-T215 PolarHBondContact N-OG1 2.93Å; N212-T215 PolarHBondContact O-N 3.39Å; N212-T215 VanDerWaalsContact O-N 3.08Å; N212-T215 PolarHBondContact O-OG1 3.32Å; N212-T215 PolarHBondContact OD1-N 3.17Å; N212-T216 WeakPolarHBondContact O-CG2 3.42Å; N212-T216 PolarHBondContact O-N 3.12Å; N212-Y259 VanDerWaalsContact CA-CE2 3.48Å; N212-Y259 HydrophobicContact CB-CE2 4.17Å
213A70.4Confident78.7Confident36 Ų3649.3 Ų49.330%0.29824%0.243SC..THydrogen-bonded Turntrans-54.4-24.2177.500000114.8T216 Y259A213-T216 PolarHBondContact O-OG1 2.93Å; A213-T216 VanDerWaalsContact O-OG1 3.1Å; A213-Y259 WeakPolarHBondContact CB-OH 3.25Å; A213-Y259 PolarHBondContact N-OH 3.4Å
214V77.6Confident79.7Confident78 Ų7848.5 Ų48.547%0.47324%0.239SC..THydrogen-bonded Turntrans-81.5-41.6178.2-178.40000110.9N212 K217N212-V214 PolarHBondContact O-N 3.08Å; N212-V214 WeakPolarHBondContact OD1-CA 3.35Å; N212-V214 VanDerWaalsContact OD1-CB 3.27Å; N212-V214 WeakPolarHBondContact OD1-CB 3.47Å; N212-V214 PolarHBondContact OD1-N 3.01Å; V214-K217 VanDerWaalsContact O-CB 3.23Å; V214-K217 WeakPolarHBondContact O-CB 3.23Å; V214-K217 WeakPolarHBondContact O-CG 3.25Å; V214-K217 PolarHBondContact O-N 2.94Å
215T82.4Confident80.7Confident25 Ų2543.4 Ų43.415%0.15322%0.217CC..G310 helixtrans-76.4-27.5-179.359.50000112L206 V211 N212 K217 L218 F252L206-T215 HydrophobicContact CD1-CG2 4.26Å; L206-T215 HydrophobicContact CD2-CG2 3.95Å; V211-T215 VanDerWaalsContact CA-OG1 3.25Å; V211-T215 WeakPolarHBondContact CA-OG1 3.24Å; N212-T215 PolarHBondContact N-OG1 2.93Å; N212-T215 PolarHBondContact O-N 3.39Å; N212-T215 VanDerWaalsContact O-N 3.08Å; N212-T215 PolarHBondContact O-OG1 3.32Å; N212-T215 PolarHBondContact OD1-N 3.17Å; T215-K217 PolarHBondContact O-N 2.96Å; T215-K217 VanDerWaalsContact O-N 3.12Å; T215-L218 WeakPolarHBondContact O-CB 3.27Å; T215-L218 PolarHBondContact O-N 3.04Å; T215-F252 WeakPolarHBondContact O-CZ 3.35Å
216T82.9Confident81.8Confident0 Ų036.2 Ų36.20%019%0.186CC..G310 helixtrans-61.2-18.9173.260.20000112.6V211 N212 A213 L218 F219 C256 Y259 T270 F273V211-T216 HydrophobicContact CG1-CG2 3.98Å; N212-T216 WeakPolarHBondContact O-CG2 3.42Å; N212-T216 PolarHBondContact O-N 3.12Å; A213-T216 PolarHBondContact O-OG1 2.93Å; A213-T216 VanDerWaalsContact O-OG1 3.1Å; T216-L218 PolarHBondContact O-N 3.1Å; T216-F219 VanDerWaalsContact O-CB 3.25Å; T216-F219 WeakPolarHBondContact O-CB 3.4Å; T216-F219 PolarHBondContact O-N 3.03Å; T216-C256 HydrophobicContact CG2-CB 4.48Å; T216-Y259 HydrophobicContact CG2-CD1 4.26Å; T216-T270 WeakPolarHBondContact CB-OG1 3.25Å; T216-T270 HydrophobicContact CG2-CG2 3.92Å; T216-T270 WeakPolarHBondContact OG1-CB 3.31Å; T216-T270 WeakPolarHBondContact OG1-CG2 3.43Å; T216-T270 PolarHBondContact OG1-OG1 3.11Å; T216-F273 HydrophobicContact CG2-CB 4.44Å
217K86.1Confident83.1Confident118 Ų11834.7 Ų34.751%0.51318%0.178SC..G310 helixtrans-58.6-23.1169.5-56.2-169.4170.3-175.70113.5V214 T215 F219 H272V214-K217 VanDerWaalsContact O-CB 3.23Å; V214-K217 WeakPolarHBondContact O-CB 3.23Å; V214-K217 WeakPolarHBondContact O-CG 3.25Å; V214-K217 PolarHBondContact O-N 2.94Å; T215-K217 PolarHBondContact O-N 2.96Å; T215-K217 VanDerWaalsContact O-N 3.12Å; K217-F219 VanDerWaalsContact C-N 3.3Å; K217-H272 VanDerWaalsContact CG-CD2 3.47Å; K217-H272 WeakPolarHBondContact CG-CD2 3.44Å
218L90.8Very high84.6Confident14 Ų1430 Ų307%0.07316%0.156CC..G310 helixtrans-81.8-6.9177.3-58.3175.4000113H199 L203 T215 T216 C221 S222 F252H199-L218 HydrophobicContact CB-CD1 4.31Å; H199-L218 HydrophobicContact CB-CD2 3.98Å; L203-L218 HydrophobicContact CD2-CB 3.9Å; L203-L218 HydrophobicContact CD2-CD1 3.96Å; L203-L218 HydrophobicContact CG-CD1 4.14Å; T215-L218 WeakPolarHBondContact O-CB 3.27Å; T215-L218 PolarHBondContact O-N 3.04Å; T216-L218 PolarHBondContact O-N 3.1Å; L218-C221 WeakPolarHBondContact O-CB 3.47Å; L218-C221 PolarHBondContact O-N 3.29Å; L218-S222 PolarHBondContact O-N 2.8Å; L218-F252 HydrophobicContact CB-CE1 4.25Å; L218-F252 HydrophobicContact CB-CZ 4.06Å
219F93.4Very high86.4Confident1 Ų128.1 Ų28.10%0.00415%0.149CC..Hα-helixtrans-56.9-55179.1168.5-101.6000112.8I162 T216 K217 C221 S222 S223 F252 V253 H272 F273 V278 L281I162-F219 HydrophobicContact CD1-CD1 4.17Å; I162-F219 HydrophobicContact CD1-CE1 3.68Å; I162-F219 HydrophobicContact CD1-CZ 4.44Å; T216-F219 VanDerWaalsContact O-CB 3.25Å; T216-F219 WeakPolarHBondContact O-CB 3.4Å; T216-F219 PolarHBondContact O-N 3.03Å; K217-F219 VanDerWaalsContact C-N 3.3Å; F219-C221 PolarHBondContact O-N 3.46Å; F219-S222 PolarHBondContact O-N 3.49Å; F219-S223 WeakPolarHBondContact CE2-OG 3.32Å; F219-S223 WeakPolarHBondContact CZ-OG 3.5Å; F219-S223 WeakPolarHBondContact O-CB 3.43Å; F219-S223 PolarHBondContact O-N 3.05Å; F219-S223 PolarHBondContact O-OG 3.01Å; F219-F252 HydrophobicContact CB-CE1 4.14Å; F219-F252 HydrophobicContact CB-CZ 4.5Å; F219-V253 HydrophobicContact CD2-CG2 4.12Å; F219-V253 HydrophobicContact CE2-CG2 3.78Å; F219-H272 VanDerWaalsContact CD1-O 3.25Å; F219-H272 WeakPolarHBondContact CD1-O 3.39Å; F219-F273 HydrophobicContact CB-CB 4.29Å; F219-F273 HydrophobicContact CB-CD2 4.3Å; F219-F273 HydrophobicContact CD1-CB 4.32Å; F219-F273 AromaticContact CD1-CD2 3.87Å; F219-F273 HydrophobicContact CD1-CD2 3.87Å; F219-F273 AromaticContact CD2-CD2 3.55Å; F219-F273 HydrophobicContact CD2-CD2 3.55Å; F219-F273 AromaticContact CD2-CE2 4Å; F219-F273 HydrophobicContact CD2-CE2 4Å; F219-F273 HydrophobicContact CE1-CD2 4.01Å; F219-F273 AromaticContact CE2-CD2 3.71Å; F219-F273 HydrophobicContact CE2-CD2 3.71Å; F219-F273 AromaticContact CE2-CE2 3.82Å; F219-F273 HydrophobicContact CE2-CE2 3.82Å; F219-F273 HydrophobicContact CG-CB 4.29Å; F219-F273 AromaticContact CG-CD2 3.62Å; F219-F273 HydrophobicContact CG-CD2 3.62Å; F219-F273 HydrophobicContact CG-CE2 4.5Å; F219-F273 HydrophobicContact CG-CG 4.46Å; F219-F273 AromaticContact CZ-CD2 3.93Å; F219-F273 HydrophobicContact CZ-CD2 3.93Å; F219-F273 HydrophobicContact CZ-CE2 4.17Å; F219-V278 HydrophobicContact CE1-CG2 4.23Å; F219-V278 HydrophobicContact CZ-CG2 3.81Å; F219-L281 HydrophobicContact CE2-CD2 4.21Å; F219-L281 HydrophobicContact CZ-CD2 3.83Å
220P94Very high88.1Confident8 Ų824.4 Ų24.45%0.05213%0.129CC..Hα-helixtrans-53.6-43175.7-27.636.8000112.5I162 S223 L224 H272I162-P220 HydrophobicContact CD1-CB 4.14Å; I162-P220 HydrophobicContact CD1-CG 4.33Å; I162-P220 HydrophobicContact CG1-CB 4.06Å; P220-S223 PolarHBondContact O-N 3.37Å; P220-L224 WeakPolarHBondContact O-CB 3.38Å; P220-L224 VanDerWaalsContact O-CG 3.23Å; P220-L224 WeakPolarHBondContact O-CG 3.49Å; P220-L224 PolarHBondContact O-N 3.11Å; P220-H272 HydrophobicContact CG-CB 4.01Å
221C94.2Very high89.4Confident4 Ų420.2 Ų20.23%0.02711%0.109CC..Hα-helixtrans-61.6-49-179.1-176.40000112.5N192 Y196 L218 F219 H225N192-C221 PolarHBondContact ND2-O 3.38Å; N192-C221 VanDerWaalsContact OD1-CA 3.29Å; N192-C221 WeakPolarHBondContact OD1-CA 3.43Å; Y196-C221 WeakPolarHBondContact CA-SG 3.44Å; Y196-C221 PolarHBondContact N-SG 2.95Å; Y196-C221 VanDerWaalsContact N-SG 3.4Å; L218-C221 WeakPolarHBondContact O-CB 3.47Å; L218-C221 PolarHBondContact O-N 3.29Å; F219-C221 PolarHBondContact O-N 3.46Å; C221-H225 WeakPolarHBondContact O-CB 3.47Å; C221-H225 PolarHBondContact O-N 2.6Å; C221-H225 VanDerWaalsContact O-N 3.16Å
222S94.5Very high90.4Very high4 Ų423 Ų233%0.02812%0.12CC..Hα-helixtrans-68.2-38178.5-1720000112.6L218 F219 V226 H249L218-S222 PolarHBondContact O-N 2.8Å; F219-S222 PolarHBondContact O-N 3.49Å; S222-V226 PolarHBondContact O-N 2.84Å; S222-H249 PolarHBondContact OG-CD2 3.1Å
223S96.8Very high91.3Very high0 Ų022.5 Ų22.50%012%0.121CC..Hα-helixtrans-67.7-44.3179.3-59.50000112F219 P220 H225 V226 F227 H249F219-S223 WeakPolarHBondContact CE2-OG 3.32Å; F219-S223 WeakPolarHBondContact CZ-OG 3.5Å; F219-S223 WeakPolarHBondContact O-CB 3.43Å; F219-S223 PolarHBondContact O-N 3.05Å; F219-S223 PolarHBondContact O-OG 3.01Å; P220-S223 PolarHBondContact O-N 3.37Å; S223-H225 VanDerWaalsContact C-N 3.32Å; S223-H225 PolarHBondContact O-N 3.48Å; S223-V226 PolarHBondContact O-N 3.49Å; S223-F227 WeakPolarHBondContact O-CB 3.35Å; S223-F227 PolarHBondContact O-N 2.85Å; S223-H249 WeakPolarHBondContact CA-NE2 3.49Å; S223-H249 PolarHBondContact OG-NE2 2.84Å
224L97.3Very high92.2Very high4 Ų422.7 Ų22.72%0.02112%0.119CC..Hα-helixtrans-67.5-32.6179.2-70.7-179.7000112.4H161 I162 V165 N192 P220 F227 H228 M284H161-L224 HydrophobicContact CB-CD1 3.65Å; I162-L224 HydrophobicContact CG1-CD2 4.37Å; I162-L224 HydrophobicContact CG1-CG 4.32Å; V165-L224 HydrophobicContact CB-CD2 3.88Å; V165-L224 HydrophobicContact CG1-CD2 4.04Å; V165-L224 HydrophobicContact CG2-CD1 4.08Å; V165-L224 HydrophobicContact CG2-CD2 3.78Å; N192-L224 HydrophobicContact CB-CB 4.49Å; N192-L224 WeakPolarHBondContact ND2-CB 3.36Å; P220-L224 WeakPolarHBondContact O-CB 3.38Å; P220-L224 VanDerWaalsContact O-CG 3.23Å; P220-L224 WeakPolarHBondContact O-CG 3.49Å; P220-L224 PolarHBondContact O-N 3.11Å; L224-F227 PolarHBondContact O-N 3.43Å; L224-H228 WeakPolarHBondContact O-CB 3.49Å; L224-H228 PolarHBondContact O-N 3.46Å; L224-M284 HydrophobicContact CD2-CE 3.72Å
225H96.3Very high92.7Very high3 Ų325.5 Ų25.51%0.01414%0.142CC..Hα-helixtrans-62.5-50.2174.7-177.967.8000111.6N192 D193 Y196 C221 S223 F227 H228 Y229N192-H225 PolarHBondContact ND2-N 3.05Å; D193-H225 IonicContact OD1-CE1 3.48Å; D193-H225 IonicContact OD1-CG 3.88Å; D193-H225 IonicContact OD1-ND1 2.91Å; D193-H225 PolarHBondContact OD1-ND1 3.26Å; Y196-H225 AromaticContact CD1-CD2 3.71Å; Y196-H225 AromaticContact CD1-CE1 3.71Å; Y196-H225 AromaticContact CD1-CG 3.77Å; Y196-H225 AromaticContact CD1-ND1 3.79Å; Y196-H225 AromaticContact CD1-NE2 3.69Å; Y196-H225 HydrophobicContact CD2-CB 3.66Å; Y196-H225 AromaticContact CD2-CD2 3.96Å; Y196-H225 AromaticContact CD2-CG 3.76Å; Y196-H225 AromaticContact CE1-CD2 3.47Å; Y196-H225 VanDerWaalsContact CE1-CD2 3.47Å; Y196-H225 WeakPolarHBondContact CE1-CD2 3.49Å; Y196-H225 AromaticContact CE1-CE1 3.95Å; Y196-H225 AromaticContact CE1-NE2 3.44Å; Y196-H225 WeakPolarHBondContact CE1-NE2 3.44Å; Y196-H225 HydrophobicContact CE2-CB 4.08Å; Y196-H225 AromaticContact CE2-CD2 3.72Å; Y196-H225 AromaticContact CE2-CG 3.99Å; Y196-H225 HydrophobicContact CG-CB 3.91Å; Y196-H225 AromaticContact CG-CD2 3.95Å; Y196-H225 AromaticContact CG-CG 3.64Å; Y196-H225 AromaticContact CG-ND1 3.89Å; Y196-H225 AromaticContact CZ-CD2 3.48Å; Y196-H225 VanDerWaalsContact CZ-CD2 3.48Å; Y196-H225 AromaticContact CZ-NE2 3.91Å; C221-H225 WeakPolarHBondContact O-CB 3.47Å; C221-H225 PolarHBondContact O-N 2.6Å; C221-H225 VanDerWaalsContact O-N 3.16Å; S223-H225 VanDerWaalsContact C-N 3.32Å; S223-H225 PolarHBondContact O-N 3.48Å; H225-F227 VanDerWaalsContact C-N 3.33Å; H225-F227 PolarHBondContact O-N 2.89Å; H225-H228 PolarHBondContact O-N 3.28Å; H225-Y229 AromaticContact CE1-CD2 3.78Å; H225-Y229 AromaticContact CE1-CE2 3.17Å; H225-Y229 WeakPolarHBondContact CE1-CE2 3.45Å; H225-Y229 AromaticContact CE1-CZ 3.45Å; H225-Y229 VanDerWaalsContact CE1-CZ 3.45Å; H225-Y229 AromaticContact ND1-CD2 3.95Å; H225-Y229 AromaticContact ND1-CE2 3.57Å; H225-Y229 AromaticContact NE2-CE2 3.91Å; H225-Y229 VanDerWaalsContact O-CD2 3.3Å; H225-Y229 WeakPolarHBondContact O-CD2 3.11Å; H225-Y229 PolarHBondContact O-N 2.86Å; H225-Y229 VanDerWaalsContact O-N 3.12Å
226V95.9Very high92.8Very high2 Ų230.7 Ų30.71%0.01217%0.169CC..Hα-helixtrans-61.4-43.2175.9174.90000111.1S222 S223 Y229 L230 L245 C246 H249 W307S222-V226 PolarHBondContact O-N 2.84Å; S223-V226 PolarHBondContact O-N 3.49Å; V226-Y229 PolarHBondContact O-N 3.29Å; V226-L230 HydrophobicContact CG1-CD1 4.03Å; V226-L230 PolarHBondContact O-N 2.85Å; V226-L230 VanDerWaalsContact O-N 3.15Å; V226-L245 HydrophobicContact CG2-CB 4.26Å; V226-C246 HydrophobicContact CG1-CB 4.43Å; V226-C246 WeakPolarHBondContact CG1-SG 3.38Å; V226-H249 HydrophobicContact CG2-CB 3.69Å; V226-W307 HydrophobicContact CB-CH2 4.29Å; V226-W307 HydrophobicContact CB-CZ2 4.24Å; V226-W307 HydrophobicContact CG1-CD2 4.04Å; V226-W307 HydrophobicContact CG1-CE3 4.11Å; V226-W307 HydrophobicContact CG1-CH2 3.94Å; V226-W307 HydrophobicContact CG1-CZ2 3.89Å; V226-W307 HydrophobicContact CG1-CZ3 4.06Å
227F97.6Very high93Very high1 Ų132 Ų320%0.00418%0.178CC..Hα-helixtrans-58.9-48.6177.2-175.3-87.8000112L169 F189 S223 L224 H225 Y229 L230 Y231 M284 L288 W307L169-F227 HydrophobicContact CD2-CZ 3.89Å; F189-F227 AromaticContact CE1-CD1 3.87Å; F189-F227 HydrophobicContact CE1-CD1 3.87Å; F189-F227 HydrophobicContact CE1-CE1 4.36Å; F189-F227 AromaticContact CZ-CD1 3.78Å; F189-F227 HydrophobicContact CZ-CD1 3.78Å; F189-F227 AromaticContact CZ-CE1 3.84Å; F189-F227 HydrophobicContact CZ-CE1 3.84Å; S223-F227 WeakPolarHBondContact O-CB 3.35Å; S223-F227 PolarHBondContact O-N 2.85Å; L224-F227 PolarHBondContact O-N 3.43Å; H225-F227 VanDerWaalsContact C-N 3.33Å; H225-F227 PolarHBondContact O-N 2.89Å; F227-Y229 VanDerWaalsContact C-N 3.35Å; F227-Y229 PolarHBondContact O-N 2.7Å; F227-L230 PolarHBondContact O-N 2.64Å; F227-Y231 HydrophobicContact CE1-CD2 4.21Å; F227-Y231 HydrophobicContact CE1-CG 4.04Å; F227-Y231 HydrophobicContact CZ-CD2 4.3Å; F227-Y231 VanDerWaalsContact O-CB 3.27Å; F227-Y231 WeakPolarHBondContact O-CB 3.41Å; F227-Y231 PolarHBondContact O-N 2.86Å; F227-M284 HydrophobicContact CB-CE 4.38Å; F227-M284 HydrophobicContact CD1-CE 3.85Å; F227-M284 HydrophobicContact CD2-CB 4.06Å; F227-M284 HydrophobicContact CD2-CE 3.71Å; F227-M284 HydrophobicContact CE1-CE 4.04Å; F227-M284 HydrophobicContact CE2-CB 3.64Å; F227-M284 HydrophobicContact CE2-CE 3.9Å; F227-M284 WeakPolarHBondContact CE2-O 3.49Å; F227-M284 HydrophobicContact CG-CE 3.68Å; F227-M284 HydrophobicContact CZ-CB 4.32Å; F227-M284 HydrophobicContact CZ-CE 4.06Å; F227-L288 HydrophobicContact CD2-CB 4.5Å; F227-L288 HydrophobicContact CD2-CD2 4.08Å; F227-L288 HydrophobicContact CE2-CB 3.7Å; F227-L288 HydrophobicContact CE2-CD2 4.08Å; F227-L288 HydrophobicContact CE2-CG 4.34Å; F227-L288 HydrophobicContact CZ-CB 4.19Å; F227-W307 HydrophobicContact CB-CH2 4.45Å
228H96.7Very high93.2Very high28 Ų2830.4 Ų30.413%0.1318%0.178CC..Hα-helixtrans-57.6-47.4179.6178.2-147.9000111.3F189 D193 L224 H225 L230 Y231 K232F189-H228 HydrophobicContact CB-CB 4.27Å; F189-H228 HydrophobicContact CD1-CB 3.72Å; F189-H228 HydrophobicContact CD2-CB 4.48Å; F189-H228 AromaticContact CD2-CD2 3.48Å; F189-H228 VanDerWaalsContact CD2-CD2 3.48Å; F189-H228 WeakPolarHBondContact CD2-CD2 3.24Å; F189-H228 HydrophobicContact CE1-CB 4.18Å; F189-H228 HydrophobicContact CG-CB 3.92Å; F189-H228 AromaticContact CG-CD2 3.54Å; F189-H228 AromaticContact CG-CG 3.65Å; D193-H228 IonicContact OD1-ND1 3.23Å; D193-H228 IonicContact OD2-CE1 3.48Å; D193-H228 PolarHBondContact OD2-CE1 3.18Å; D193-H228 VanDerWaalsContact OD2-CE1 3.24Å; D193-H228 IonicContact OD2-ND1 3.35Å; D193-H228 PolarHBondContact OD2-ND1 3.18Å; L224-H228 WeakPolarHBondContact O-CB 3.49Å; L224-H228 PolarHBondContact O-N 3.46Å; H225-H228 PolarHBondContact O-N 3.28Å; H228-L230 VanDerWaalsContact C-N 3.25Å; H228-L230 PolarHBondContact O-N 3.09Å; H228-Y231 PolarHBondContact O-N 3.34Å; H228-Y231 VanDerWaalsContact O-N 3.1Å; H228-K232 CarbonylContact O-C 3.53Å; H228-K232 PolarHBondContact O-N 3.22Å
229Y96Very high92.9Very high22 Ų2232.7 Ų32.79%0.08619%0.192CC..Hα-helixtrans-66.8-25.8-178.3-85.2-123.4000113.1H225 V226 F227 P233 P234 I242 L245H225-Y229 AromaticContact CE1-CD2 3.78Å; H225-Y229 AromaticContact CE1-CE2 3.17Å; H225-Y229 WeakPolarHBondContact CE1-CE2 3.45Å; H225-Y229 AromaticContact CE1-CZ 3.45Å; H225-Y229 VanDerWaalsContact CE1-CZ 3.45Å; H225-Y229 AromaticContact ND1-CD2 3.95Å; H225-Y229 AromaticContact ND1-CE2 3.57Å; H225-Y229 AromaticContact NE2-CE2 3.91Å; H225-Y229 VanDerWaalsContact O-CD2 3.3Å; H225-Y229 WeakPolarHBondContact O-CD2 3.11Å; H225-Y229 PolarHBondContact O-N 2.86Å; H225-Y229 VanDerWaalsContact O-N 3.12Å; V226-Y229 PolarHBondContact O-N 3.29Å; F227-Y229 VanDerWaalsContact C-N 3.35Å; F227-Y229 PolarHBondContact O-N 2.7Å; Y229-P233 VanDerWaalsContact O-CA 3.25Å; Y229-P233 WeakPolarHBondContact O-CA 3.34Å; Y229-P233 VanDerWaalsContact O-CB 3.31Å; Y229-P233 WeakPolarHBondContact O-CB 3.42Å; Y229-P234 HydrophobicContact CD1-CG 4.39Å; Y229-P234 HydrophobicContact CE1-CG 4.03Å; Y229-P234 HydrophobicContact CE2-CG 4.45Å; Y229-I242 WeakPolarHBondContact O-CD1 3.48Å; Y229-L245 HydrophobicContact CD1-CD1 3.59Å; Y229-L245 HydrophobicContact CE1-CD1 4.05Å; Y229-L245 HydrophobicContact CG-CD1 4.07Å
230L95.2Very high92.6Very high0 Ų041.1 Ų41.10%023%0.229CC..Hα-helixtrans-81.7-36.7170.5-72.8163.9000112.4V226 F227 H228 I242 L288 L300 V303 A304 W307V226-L230 HydrophobicContact CG1-CD1 4.03Å; V226-L230 PolarHBondContact O-N 2.85Å; V226-L230 VanDerWaalsContact O-N 3.15Å; F227-L230 PolarHBondContact O-N 2.64Å; H228-L230 VanDerWaalsContact C-N 3.25Å; H228-L230 PolarHBondContact O-N 3.09Å; L230-I242 HydrophobicContact CD2-CG2 3.54Å; L230-I242 HydrophobicContact CG-CG2 3.8Å; L230-L288 HydrophobicContact CB-CD1 4.07Å; L230-L288 HydrophobicContact CB-CD2 3.64Å; L230-L288 HydrophobicContact CB-CG 4.39Å; L230-L288 HydrophobicContact CD1-CD2 3.89Å; L230-L288 HydrophobicContact CG-CD2 4.38Å; L230-L300 HydrophobicContact CD2-CD2 4.41Å; L230-V303 HydrophobicContact CD2-CB 4.1Å; L230-V303 HydrophobicContact CD2-CG1 3.89Å; L230-A304 HydrophobicContact CD1-CB 4.42Å; L230-A304 HydrophobicContact CD2-CB 4.47Å; L230-W307 HydrophobicContact CD1-CE3 3.63Å; L230-W307 HydrophobicContact CD1-CZ3 3.96Å
231Y95.1Very high92.4Very high9 Ų944.7 Ų44.74%0.03525%0.245CC..Hα-helixtrans-75.8-46.3-175.3-175.3-106.8000113L169 F189 F227 H228 L288 H291L169-Y231 HydrophobicContact CD1-CE2 3.87Å; F189-Y231 AromaticContact CE2-CD1 3.9Å; F189-Y231 HydrophobicContact CE2-CD1 3.9Å; F189-Y231 HydrophobicContact CE2-CE1 4.31Å; F189-Y231 HydrophobicContact CZ-CD1 4.38Å; F227-Y231 HydrophobicContact CE1-CD2 4.21Å; F227-Y231 HydrophobicContact CE1-CG 4.04Å; F227-Y231 HydrophobicContact CZ-CD2 4.3Å; F227-Y231 VanDerWaalsContact O-CB 3.27Å; F227-Y231 WeakPolarHBondContact O-CB 3.41Å; F227-Y231 PolarHBondContact O-N 2.86Å; H228-Y231 PolarHBondContact O-N 3.34Å; H228-Y231 VanDerWaalsContact O-N 3.1Å; Y231-L288 HydrophobicContact CD2-CD1 4.07Å; Y231-H291 AromaticContact CD2-CD2 3.62Å; Y231-H291 AromaticContact CE2-CD2 3.51Å; Y231-H291 AromaticContact CE2-CG 3.9Å; Y231-H291 AromaticContact CE2-NE2 3.79Å
232K92.8Very high92.3Very high66 Ų6644.5 Ų44.529%0.28724%0.244SC..SBendtrans-136.574.1178.1-75.7-179.3179.3-179.40108.9D186 H228D186-K232 IonicContact OD1-NZ 3.81Å; D186-K232 PolarHBondContact OD1-NZ 3.08Å; D186-K232 IonicContact OD2-NZ 3.7Å; D186-K232 PolarHBondContact OD2-NZ 3.01Å; D186-K232 VanDerWaalsContact OD2-NZ 3.08Å; H228-K232 CarbonylContact O-C 3.53Å; H228-K232 PolarHBondContact O-N 3.22Å
233P91.6Very high91.9Very high50 Ų5045.7 Ų45.733%0.32525%0.252SS..  trans-58.3131.6-179.226.4-38.1000111.3Y229 I242 L300Y229-P233 VanDerWaalsContact O-CA 3.25Å; Y229-P233 WeakPolarHBondContact O-CA 3.34Å; Y229-P233 VanDerWaalsContact O-CB 3.31Å; Y229-P233 WeakPolarHBondContact O-CB 3.42Å; P233-I242 HydrophobicContact CB-CD1 3.99Å; P233-L300 HydrophobicContact CB-CD1 4.23Å; P233-L300 HydrophobicContact CG-CD1 3.71Å
234P90.2Very high91.4Very high40 Ų4047.5 Ų47.526%0.2627%0.266SS..  trans-57.8146.4170.2-2534.7000111.3Y229 N236 C237Y229-P234 HydrophobicContact CD1-CG 4.39Å; Y229-P234 HydrophobicContact CE1-CG 4.03Å; Y229-P234 HydrophobicContact CE2-CG 4.45Å; P234-N236 VanDerWaalsContact CB-OD1 3.31Å; P234-N236 WeakPolarHBondContact CB-OD1 3.26Å; P234-N236 PolarHBondContact O-N 3.3Å; P234-C237 HydrophobicContact CB-CB 4.41Å; P234-C237 WeakPolarHBondContact O-CB 3.44Å; P234-C237 PolarHBondContact O-N 3.34Å
235S86.6Confident91.1Very high137 Ų13747.8 Ų47.896%0.95827%0.268SS*.THydrogen-bonded Turntrans-60.7-21.9-174.753.80000114.6
236N85.9Confident90.8Very high134 Ų13447.9 Ų47.972%0.71727%0.269SS*.THydrogen-bonded Turntrans-91.9-5.9177.764-11.4000113.9P234P234-N236 VanDerWaalsContact CB-OD1 3.31Å; P234-N236 WeakPolarHBondContact CB-OD1 3.26Å; P234-N236 PolarHBondContact O-N 3.3Å
237C86.8Confident90.3Very high28 Ų2849 Ų4919%0.18927%0.274CS..  trans-87.1128.2-175.5-77.70000111.8P234 I242P234-C237 HydrophobicContact CB-CB 4.41Å; P234-C237 WeakPolarHBondContact O-CB 3.44Å; P234-C237 PolarHBondContact O-N 3.34Å; C237-I242 HydrophobicContact CB-CD1 4.39Å; C237-I242 HydrophobicContact CB-CG1 4.44Å
238T90Very high89.7Confident83 Ų8352.1 Ų52.151%0.50929%0.289SS..  trans-88.1154.117465.20000110.8K240 H241 I242T238-K240 PolarHBondContact O-N 2.89Å; T238-H241 WeakPolarHBondContact O-CB 3.39Å; T238-H241 PolarHBondContact O-N 3.38Å; T238-H241 PolarHBondContact OG1-N 3.27Å; T238-I242 PolarHBondContact O-N 3.2Å; T238-I242 VanDerWaalsContact O-N 3.11Å
239V85.1Confident89.4Confident62 Ų6250.8 Ų50.838%0.37628%0.283SS..Hα-helixtrans-55-35.5173.3-179.10000111.3I242 S243 P299 L300 V303V239-I242 PolarHBondContact O-N 2.79Å; V239-S243 WeakPolarHBondContact O-CB 3.43Å; V239-S243 PolarHBondContact O-N 3.35Å; V239-P299 HydrophobicContact CG1-CB 4.35Å; V239-P299 HydrophobicContact CG2-CB 3.85Å; V239-L300 HydrophobicContact CG2-CD2 4.14Å; V239-V303 HydrophobicContact CG1-CG2 3.66Å
240K86.5Confident89.1Confident178 Ų17850.5 Ų50.577%0.77428%0.282SS*.Hα-helixtrans-63-41.9175.9-174179.1179.9-179.20112.3T238 S243 A244T238-K240 PolarHBondContact O-N 2.89Å; K240-S243 PolarHBondContact O-N 2.9Å; K240-A244 PolarHBondContact O-N 3.09Å; K240-A244 VanDerWaalsContact O-N 3.13Å
241H90.4Very high88.5Confident83 Ų8357.4 Ų57.438%0.38431%0.308SS..Hα-helixtrans-64.9-46.7177177.964.7000111.4T238 S243 A244 L245T238-H241 WeakPolarHBondContact O-CB 3.39Å; T238-H241 PolarHBondContact O-N 3.38Å; T238-H241 PolarHBondContact OG1-N 3.27Å; H241-S243 VanDerWaalsContact C-N 3.3Å; H241-S243 PolarHBondContact O-N 3.47Å; H241-A244 WeakPolarHBondContact O-CB 3.38Å; H241-A244 PolarHBondContact O-N 3.26Å; H241-A244 VanDerWaalsContact O-N 3.07Å; H241-L245 PolarHBondContact O-N 3.25Å
242I90.5Very high88.1Confident1 Ų157.6 Ų57.61%0.00531%0.31CS..Hα-helixtrans-62.3-39.3178.3-60.9167000111Y229 L230 P233 C237 T238 V239 A244 L245 C246 L300 V303Y229-I242 WeakPolarHBondContact O-CD1 3.48Å; L230-I242 HydrophobicContact CD2-CG2 3.54Å; L230-I242 HydrophobicContact CG-CG2 3.8Å; P233-I242 HydrophobicContact CB-CD1 3.99Å; C237-I242 HydrophobicContact CB-CD1 4.39Å; C237-I242 HydrophobicContact CB-CG1 4.44Å; T238-I242 PolarHBondContact O-N 3.2Å; T238-I242 VanDerWaalsContact O-N 3.11Å; V239-I242 PolarHBondContact O-N 2.79Å; I242-A244 VanDerWaalsContact C-N 3.31Å; I242-A244 PolarHBondContact O-N 2.87Å; I242-L245 WeakPolarHBondContact O-CB 3.44Å; I242-L245 PolarHBondContact O-N 2.85Å; I242-C246 PolarHBondContact O-N 3.3Å; I242-C246 PolarHBondContact O-SG 2.95Å; I242-C246 VanDerWaalsContact O-SG 3.37Å; I242-L300 HydrophobicContact CD1-CD2 3.68Å; I242-V303 HydrophobicContact CG2-CG1 4.35Å
243S86Confident87.9Confident29 Ų2954.5 Ų54.520%0.20330%0.296CS..Hα-helixtrans-61-38.2174.2-174.70000112.7V239 K240 H241 C246 Q247V239-S243 WeakPolarHBondContact O-CB 3.43Å; V239-S243 PolarHBondContact O-N 3.35Å; K240-S243 PolarHBondContact O-N 2.9Å; H241-S243 VanDerWaalsContact C-N 3.3Å; H241-S243 PolarHBondContact O-N 3.47Å; S243-C246 PolarHBondContact O-N 3.42Å; S243-Q247 WeakPolarHBondContact O-CG 3.45Å; S243-Q247 PolarHBondContact O-N 3.13Å
244A87.6Confident87.5Confident37 Ų3753.7 Ų53.731%0.30629%0.289SS..Hα-helixtrans-65.8-41.417500000112K240 H241 I242 C246 Q247 E248K240-A244 PolarHBondContact O-N 3.09Å; K240-A244 VanDerWaalsContact O-N 3.13Å; H241-A244 WeakPolarHBondContact O-CB 3.38Å; H241-A244 PolarHBondContact O-N 3.26Å; H241-A244 VanDerWaalsContact O-N 3.07Å; I242-A244 VanDerWaalsContact C-N 3.31Å; I242-A244 PolarHBondContact O-N 2.87Å; A244-C246 VanDerWaalsContact C-N 3.34Å; A244-C246 PolarHBondContact O-N 2.92Å; A244-Q247 WeakPolarHBondContact O-CB 3.34Å; A244-Q247 PolarHBondContact O-N 3.41Å; A244-Q247 VanDerWaalsContact O-N 3.09Å; A244-E248 PolarHBondContact O-N 3.17Å
245L91Very high87.2Confident10 Ų1052.1 Ų52.15%0.05228%0.279CS..Hα-helixtrans-59.2-43.5174.6-66.4174.9000111.8V226 Y229 H241 I242 Q247 E248 H249V226-L245 HydrophobicContact CG2-CB 4.26Å; Y229-L245 HydrophobicContact CD1-CD1 3.59Å; Y229-L245 HydrophobicContact CE1-CD1 4.05Å; Y229-L245 HydrophobicContact CG-CD1 4.07Å; H241-L245 PolarHBondContact O-N 3.25Å; I242-L245 WeakPolarHBondContact O-CB 3.44Å; I242-L245 PolarHBondContact O-N 2.85Å; L245-Q247 VanDerWaalsContact C-N 3.28Å; L245-Q247 PolarHBondContact O-N 2.78Å; L245-E248 PolarHBondContact O-N 2.95Å; L245-H249 WeakPolarHBondContact O-CB 3.45Å; L245-H249 PolarHBondContact O-N 3.1Å
246C90.2Very high87.2Confident6 Ų645.6 Ų45.64%0.04123%0.234CC..Hα-helixtrans-58.7-40.1174.5-64.60000112.1V226 I242 S243 A244 L250 W307V226-C246 HydrophobicContact CG1-CB 4.43Å; V226-C246 WeakPolarHBondContact CG1-SG 3.38Å; I242-C246 PolarHBondContact O-N 3.3Å; I242-C246 PolarHBondContact O-SG 2.95Å; I242-C246 VanDerWaalsContact O-SG 3.37Å; S243-C246 PolarHBondContact O-N 3.42Å; A244-C246 VanDerWaalsContact C-N 3.34Å; A244-C246 PolarHBondContact O-N 2.92Å; C246-L250 WeakPolarHBondContact O-CB 3.36Å; C246-L250 WeakPolarHBondContact O-CD1 3.2Å; C246-L250 VanDerWaalsContact O-CG 3.23Å; C246-L250 WeakPolarHBondContact O-CG 3.01Å; C246-L250 PolarHBondContact O-N 3.48Å; C246-W307 HydrophobicContact CB-CB 4.38Å; C246-W307 HydrophobicContact CB-CG 4.32Å
247Q84.5Confident87.2Confident26 Ų2639.5 Ų39.512%0.12120%0.201CC..Hα-helixtrans-70.7-37.4179.8-69167.720.500112.9S243 A244 L245 R251 A420 A423 L424S243-Q247 WeakPolarHBondContact O-CG 3.45Å; S243-Q247 PolarHBondContact O-N 3.13Å; A244-Q247 WeakPolarHBondContact O-CB 3.34Å; A244-Q247 PolarHBondContact O-N 3.41Å; A244-Q247 VanDerWaalsContact O-N 3.09Å; L245-Q247 VanDerWaalsContact C-N 3.28Å; L245-Q247 PolarHBondContact O-N 2.78Å; Q247-R251 WeakPolarHBondContact O-CG 3.34Å; Q247-R251 PolarHBondContact O-N 2.91Å; Q247-R251 PolarHBondContact O-NE 3.16Å; Q247-A420 VanDerWaalsContact OE1-CB 3.3Å; Q247-A423 HydrophobicContact CB-CB 4.27Å; Q247-A423 HydrophobicContact CG-CB 4.41Å; Q247-L424 HydrophobicContact CG-CD1 4.44Å
248E85.7Confident86.9Confident65 Ų6542.6 Ų42.630%0.30421%0.209SC..Hα-helixtrans-63.8-47.6173.4-71.3177.8-178.300110.4A244 L245 L250 R251 F252A244-E248 PolarHBondContact O-N 3.17Å; L245-E248 PolarHBondContact O-N 2.95Å; E248-L250 PolarHBondContact O-N 3.36Å; E248-R251 PolarHBondContact O-N 3.49Å; E248-F252 PolarHBondContact O-N 3.39Å; E248-F252 VanDerWaalsContact O-N 3.14Å
249H90.6Very high86.4Confident1 Ų139.6 Ų39.61%0.00519%0.188CC..Hα-helixtrans-59.9-43.4175.3170.5-85.1000112.7S222 S223 V226 L245 R251 F252 V253 W307S222-H249 PolarHBondContact OG-CD2 3.1Å; S223-H249 WeakPolarHBondContact CA-NE2 3.49Å; S223-H249 PolarHBondContact OG-NE2 2.84Å; V226-H249 HydrophobicContact CG2-CB 3.69Å; L245-H249 WeakPolarHBondContact O-CB 3.45Å; L245-H249 PolarHBondContact O-N 3.1Å; H249-R251 VanDerWaalsContact C-N 3.31Å; H249-R251 PolarHBondContact O-N 3.16Å; H249-F252 WeakPolarHBondContact O-CB 3.49Å; H249-F252 PolarHBondContact O-N 3.37Å; H249-F252 VanDerWaalsContact O-N 3.15Å; H249-V253 WeakPolarHBondContact CE1-CG2 3.48Å; H249-V253 WeakPolarHBondContact O-CG2 3.09Å; H249-V253 PolarHBondContact O-N 3.48Å; H249-W307 AromaticContact CE1-CZ2 3.77Å; H249-W307 AromaticContact CE1-NE1 3.66Å; H249-W307 AromaticContact ND1-CE2 3.91Å; H249-W307 AromaticContact ND1-CZ2 3.99Å; H249-W307 AromaticContact ND1-NE1 3.25Å; H249-W307 PolarHBondContact ND1-NE1 3.41Å
250L88.7Confident86.1Confident15 Ų1536.8 Ų36.88%0.07917%0.171CC..Hα-helixtrans-63.1-36.2178.5-76.9163.7000112.7C246 E248 F252 V253 D254 L311C246-L250 WeakPolarHBondContact O-CB 3.36Å; C246-L250 WeakPolarHBondContact O-CD1 3.2Å; C246-L250 VanDerWaalsContact O-CG 3.23Å; C246-L250 WeakPolarHBondContact O-CG 3.01Å; C246-L250 PolarHBondContact O-N 3.48Å; E248-L250 PolarHBondContact O-N 3.36Å; L250-F252 VanDerWaalsContact C-N 3.32Å; L250-V253 PolarHBondContact O-N 2.85Å; L250-D254 PolarHBondContact O-N 3.39Å; L250-L311 HydrophobicContact CD2-CB 4.38Å
251R83Confident85.5Confident145 Ų14529.5 Ų29.555%0.54714%0.142SC..Hα-helixtrans-63.5-40.1172.8-78.3-176.8-98.6-178.9-6.4111.8Q247 E248 H249 D254 A255Q247-R251 WeakPolarHBondContact O-CG 3.34Å; Q247-R251 PolarHBondContact O-N 2.91Å; Q247-R251 PolarHBondContact O-NE 3.16Å; E248-R251 PolarHBondContact O-N 3.49Å; H249-R251 VanDerWaalsContact C-N 3.31Å; H249-R251 PolarHBondContact O-N 3.16Å; R251-D254 PolarHBondContact O-N 3.43Å; R251-A255 PolarHBondContact O-N 3.28Å; R251-A255 VanDerWaalsContact O-N 3.11Å
252F86.6Confident84.5Confident14 Ų1428.9 Ų28.96%0.06114%0.141CC..Hα-helixtrans-65.2-42.2175.1178.4-137.1000112.1L203 L206 V211 T215 L218 F219 E248 H249 L250 A255 C256L203-F252 HydrophobicContact CD2-CD1 4.1Å; L203-F252 HydrophobicContact CD2-CE1 3.92Å; L203-F252 HydrophobicContact CD2-CG 4.49Å; L203-F252 HydrophobicContact CD2-CZ 4.22Å; L206-F252 HydrophobicContact CD2-CE2 4.46Å; V211-F252 HydrophobicContact CG2-CD2 4.4Å; V211-F252 HydrophobicContact CG2-CE2 4.35Å; T215-F252 WeakPolarHBondContact O-CZ 3.35Å; L218-F252 HydrophobicContact CB-CE1 4.25Å; L218-F252 HydrophobicContact CB-CZ 4.06Å; F219-F252 HydrophobicContact CB-CE1 4.14Å; F219-F252 HydrophobicContact CB-CZ 4.5Å; E248-F252 PolarHBondContact O-N 3.39Å; E248-F252 VanDerWaalsContact O-N 3.14Å; H249-F252 WeakPolarHBondContact O-CB 3.49Å; H249-F252 PolarHBondContact O-N 3.37Å; H249-F252 VanDerWaalsContact O-N 3.15Å; L250-F252 VanDerWaalsContact C-N 3.32Å; F252-A255 PolarHBondContact O-N 3.26Å; F252-C256 PolarHBondContact O-N 3.46Å; F252-C256 PolarHBondContact O-SG 2.96Å; F252-C256 VanDerWaalsContact O-SG 3.32Å
253V88.6Confident83.4Confident0 Ų029.4 Ų29.40%015%0.145CC..Hα-helixtrans-61.2-43.8174.7170.50000112.3F219 H249 L250 A255 C256 F257 F273 L311F219-V253 HydrophobicContact CD2-CG2 4.12Å; F219-V253 HydrophobicContact CE2-CG2 3.78Å; H249-V253 WeakPolarHBondContact CE1-CG2 3.48Å; H249-V253 WeakPolarHBondContact O-CG2 3.09Å; H249-V253 PolarHBondContact O-N 3.48Å; L250-V253 PolarHBondContact O-N 2.85Å; V253-A255 VanDerWaalsContact C-N 3.3Å; V253-A255 PolarHBondContact O-N 3.22Å; V253-C256 WeakPolarHBondContact O-CB 3.12Å; V253-C256 PolarHBondContact O-N 2.88Å; V253-F257 HydrophobicContact CG1-CD2 3.7Å; V253-F257 HydrophobicContact CG1-CE2 3.43Å; V253-F257 VanDerWaalsContact CG1-CE2 3.43Å; V253-F257 HydrophobicContact CG1-CZ 4.47Å; V253-F257 VanDerWaalsContact O-CD2 3.31Å; V253-F257 WeakPolarHBondContact O-CD2 3.41Å; V253-F257 PolarHBondContact O-N 3.17Å; V253-F273 HydrophobicContact CG1-CE2 4.17Å; V253-F273 HydrophobicContact CG1-CZ 4.3Å; V253-L311 HydrophobicContact CG1-CD1 3.89Å
254D83.5Confident82.1Confident34 Ų3431 Ų3118%0.18215%0.146CC..Hα-helixtrans-58.2-43.1174.8-178.579.1000111.4L250 R251 F257 R258L250-D254 PolarHBondContact O-N 3.39Å; R251-D254 PolarHBondContact O-N 3.43Å; D254-F257 PolarHBondContact O-N 3.49Å; D254-R258 WeakPolarHBondContact O-CG 3.44Å; D254-R258 PolarHBondContact O-N 2.9Å; D254-R258 IonicContact OD1-NE 3.66Å; D254-R258 IonicContact OD1-NH2 3.8Å; D254-R258 PolarHBondContact OD1-NH2 2.76Å; D254-R258 IonicContact OD2-CZ 3.93Å; D254-R258 IonicContact OD2-NE 2.66Å; D254-R258 PolarHBondContact OD2-NE 3.24Å; D254-R258 IonicContact OD2-NH2 3.55Å; D254-R258 PolarHBondContact OD2-NH2 2.97Å
255A82.7Confident80.8Confident6 Ų631.1 Ų31.15%0.0514%0.14CC..Hα-helixtrans-66.1-37.9176.700000112.8V211 R251 F252 V253 R258 Y259V211-A255 HydrophobicContact CB-CB 4.27Å; V211-A255 HydrophobicContact CG2-CB 3.47Å; V211-A255 VanDerWaalsContact CG2-CB 3.47Å; R251-A255 PolarHBondContact O-N 3.28Å; R251-A255 VanDerWaalsContact O-N 3.11Å; F252-A255 PolarHBondContact O-N 3.26Å; V253-A255 VanDerWaalsContact C-N 3.3Å; V253-A255 PolarHBondContact O-N 3.22Å; A255-R258 PolarHBondContact O-N 3.45Å; A255-Y259 PolarHBondContact O-N 3.37Å
256C87.2Confident78.8Confident0 Ų032.4 Ų32.40%015%0.149CC..Hα-helixtrans-61.2-43.9171.3-680000112.3T216 F252 V253 Y259 C260 F273T216-C256 HydrophobicContact CG2-CB 4.48Å; F252-C256 PolarHBondContact O-N 3.46Å; F252-C256 PolarHBondContact O-SG 2.96Å; F252-C256 VanDerWaalsContact O-SG 3.32Å; V253-C256 WeakPolarHBondContact O-CB 3.12Å; V253-C256 PolarHBondContact O-N 2.88Å; C256-Y259 WeakPolarHBondContact O-CB 3.12Å; C256-Y259 PolarHBondContact O-N 3.29Å; C256-C260 PolarHBondContact O-N 3.46Å; C256-C260 PolarHBondContact O-SG 3.25Å; C256-F273 HydrophobicContact CB-CD1 3.65Å; C256-F273 HydrophobicContact CB-CD2 3.9Å; C256-F273 HydrophobicContact CB-CE1 3.6Å; C256-F273 HydrophobicContact CB-CE2 3.86Å; C256-F273 HydrophobicContact CB-CG 3.78Å; C256-F273 HydrophobicContact CB-CZ 3.7Å
257F86.1Confident76.9Confident7 Ų732.8 Ų32.83%0.03115%0.154CC..Hα-helixtrans-61.8-44.6175.6-80.9-58.4000112.4V253 D254 Y259 C260 C261 F273 A314 V315 A318 F322 W388V253-F257 HydrophobicContact CG1-CD2 3.7Å; V253-F257 HydrophobicContact CG1-CE2 3.43Å; V253-F257 VanDerWaalsContact CG1-CE2 3.43Å; V253-F257 HydrophobicContact CG1-CZ 4.47Å; V253-F257 VanDerWaalsContact O-CD2 3.31Å; V253-F257 WeakPolarHBondContact O-CD2 3.41Å; V253-F257 PolarHBondContact O-N 3.17Å; D254-F257 PolarHBondContact O-N 3.49Å; F257-Y259 VanDerWaalsContact C-N 3.31Å; F257-Y259 PolarHBondContact O-N 3.02Å; F257-C260 WeakPolarHBondContact O-CB 3.5Å; F257-C260 PolarHBondContact O-N 2.91Å; F257-C260 VanDerWaalsContact O-N 3.13Å; F257-C261 PolarHBondContact O-N 3.19Å; F257-C261 PolarHBondContact O-SG 3.02Å; F257-C261 VanDerWaalsContact O-SG 3.39Å; F257-F273 AromaticContact CD1-CE1 3.83Å; F257-F273 HydrophobicContact CD1-CE1 3.83Å; F257-F273 AromaticContact CD1-CZ 3.81Å; F257-F273 HydrophobicContact CD1-CZ 3.81Å; F257-F273 AromaticContact CD2-CZ 3.98Å; F257-F273 HydrophobicContact CD2-CZ 3.98Å; F257-F273 HydrophobicContact CE1-CE1 4.01Å; F257-F273 AromaticContact CE1-CZ 3.73Å; F257-F273 HydrophobicContact CE1-CZ 3.73Å; F257-F273 AromaticContact CE2-CZ 3.9Å; F257-F273 HydrophobicContact CE2-CZ 3.9Å; F257-F273 HydrophobicContact CG-CE1 4.19Å; F257-F273 AromaticContact CG-CZ 3.92Å; F257-F273 HydrophobicContact CG-CZ 3.92Å; F257-F273 HydrophobicContact CZ-CE1 4.5Å; F257-F273 AromaticContact CZ-CZ 3.76Å; F257-F273 HydrophobicContact CZ-CZ 3.76Å; F257-A314 HydrophobicContact CD2-CB 4.18Å; F257-A314 HydrophobicContact CE2-CB 3.99Å; F257-V315 HydrophobicContact CE2-CG2 4.37Å; F257-V315 HydrophobicContact CZ-CG2 3.85Å; F257-A318 HydrophobicContact CB-CB 4.09Å; F257-A318 HydrophobicContact CD1-CB 3.36Å; F257-A318 HydrophobicContact CD2-CB 4.36Å; F257-A318 HydrophobicContact CE1-CB 3.76Å; F257-A318 HydrophobicContact CG-CB 3.71Å; F257-A318 HydrophobicContact CZ-CB 4.42Å; F257-F322 HydrophobicContact CD1-CE2 4.35Å; F257-F322 HydrophobicContact CD1-CZ 4.39Å; F257-W388 HydrophobicContact CD1-CH2 4.3Å; F257-W388 HydrophobicContact CD1-CZ2 4.39Å; F257-W388 HydrophobicContact CE1-CD2 4.13Å; F257-W388 AromaticContact CE1-CE3 3.72Å; F257-W388 HydrophobicContact CE1-CE3 3.72Å; F257-W388 AromaticContact CE1-CH2 3.46Å; F257-W388 HydrophobicContact CE1-CH2 3.46Å; F257-W388 VanDerWaalsContact CE1-CH2 3.46Å; F257-W388 AromaticContact CE1-CZ2 3.87Å; F257-W388 HydrophobicContact CE1-CZ2 3.87Å; F257-W388 AromaticContact CE1-CZ3 3.38Å; F257-W388 HydrophobicContact CE1-CZ3 3.38Å; F257-W388 HydrophobicContact CZ-CE3 4.24Å; F257-W388 HydrophobicContact CZ-CH2 4.06Å; F257-W388 AromaticContact CZ-CZ3 3.72Å; F257-W388 HydrophobicContact CZ-CZ3 3.72Å
258R79.8Confident75.4Confident93 Ų9332.6 Ų32.635%0.35115%0.154SC..Hα-helixtrans-59.6-42.5176.1-70.6176.5-166.1-76.9-11.4111.8D254 A255 C260 C261 L262D254-R258 WeakPolarHBondContact O-CG 3.44Å; D254-R258 PolarHBondContact O-N 2.9Å; D254-R258 IonicContact OD1-NE 3.66Å; D254-R258 IonicContact OD1-NH2 3.8Å; D254-R258 PolarHBondContact OD1-NH2 2.76Å; D254-R258 IonicContact OD2-CZ 3.93Å; D254-R258 IonicContact OD2-NE 2.66Å; D254-R258 PolarHBondContact OD2-NE 3.24Å; D254-R258 IonicContact OD2-NH2 3.55Å; D254-R258 PolarHBondContact OD2-NH2 2.97Å; A255-R258 PolarHBondContact O-N 3.45Å; R258-C260 VanDerWaalsContact C-N 3.35Å; R258-C261 WeakPolarHBondContact O-CB 3.47Å; R258-C261 PolarHBondContact O-N 2.6Å; R258-L262 WeakPolarHBondContact O-CG 3.39Å; R258-L262 PolarHBondContact O-N 2.8Å
259Y79.3Confident74.4Confident20 Ų2032 Ų328%0.07815%0.151CC..Hα-helixtrans-59.6-44.6174172.5-95.2000111.7V211 N212 A213 T216 A255 C256 F257 C261 L262 C263 T270 E596V211-Y259 HydrophobicContact CG1-CG 4.33Å; V211-Y259 VanDerWaalsContact O-CD2 3.24Å; V211-Y259 WeakPolarHBondContact O-CD2 3.47Å; N212-Y259 VanDerWaalsContact CA-CE2 3.48Å; N212-Y259 HydrophobicContact CB-CE2 4.17Å; A213-Y259 WeakPolarHBondContact CB-OH 3.25Å; A213-Y259 PolarHBondContact N-OH 3.4Å; T216-Y259 HydrophobicContact CG2-CD1 4.26Å; A255-Y259 PolarHBondContact O-N 3.37Å; C256-Y259 WeakPolarHBondContact O-CB 3.12Å; C256-Y259 PolarHBondContact O-N 3.29Å; F257-Y259 VanDerWaalsContact C-N 3.31Å; F257-Y259 PolarHBondContact O-N 3.02Å; Y259-C261 VanDerWaalsContact C-N 3.33Å; Y259-C261 PolarHBondContact O-N 3.34Å; Y259-L262 PolarHBondContact O-N 3.08Å; Y259-L262 VanDerWaalsContact O-N 3.17Å; Y259-C263 PolarHBondContact O-N 3.07Å; Y259-C263 PolarHBondContact O-SG 2.9Å; Y259-T270 HydrophobicContact CD1-CG2 4.13Å; Y259-T270 HydrophobicContact CE1-CG2 3.63Å; Y259-E596 WeakPolarHBondContact CE2-OE1 3.48Å; Y259-E596 WeakPolarHBondContact OH-CG 3.49Å; Y259-E596 PolarHBondContact OH-OE1 3.3Å
260C79.5Confident73.5Confident2 Ų232.5 Ų32.51%0.01415%0.154CC..Hα-helixtrans-58.2-41.7173.3-70.80000112.4C256 F257 R258 L262 C263 M268 F322C256-C260 PolarHBondContact O-N 3.46Å; C256-C260 PolarHBondContact O-SG 3.25Å; F257-C260 WeakPolarHBondContact O-CB 3.5Å; F257-C260 PolarHBondContact O-N 2.91Å; F257-C260 VanDerWaalsContact O-N 3.13Å; R258-C260 VanDerWaalsContact C-N 3.35Å; C260-L262 VanDerWaalsContact C-N 3.34Å; C260-L262 PolarHBondContact O-N 3.24Å; C260-C263 WeakPolarHBondContact O-CB 3.29Å; C260-C263 PolarHBondContact O-N 3.26Å; C260-M268 PolarHBondContact SG-O 3.35Å; C260-F322 HydrophobicContact CB-CE1 4.07Å; C260-F322 HydrophobicContact CB-CZ 3.81Å
261C74.6Confident72.6Confident25 Ų2536 Ų3617%0.16919%0.185CC..Hα-helixtrans-63.3-38.4176-64.60000112.5F257 R258 Y259 C263 R264 F322 I325F257-C261 PolarHBondContact O-N 3.19Å; F257-C261 PolarHBondContact O-SG 3.02Å; F257-C261 VanDerWaalsContact O-SG 3.39Å; R258-C261 WeakPolarHBondContact O-CB 3.47Å; R258-C261 PolarHBondContact O-N 2.6Å; Y259-C261 VanDerWaalsContact C-N 3.33Å; Y259-C261 PolarHBondContact O-N 3.34Å; C261-C263 PolarHBondContact O-N 3.48Å; C261-R264 PolarHBondContact O-N 3.21Å; C261-F322 HydrophobicContact CB-CE1 4.4Å; C261-F322 WeakPolarHBondContact SG-CE1 3.34Å; C261-I325 HydrophobicContact CB-CD1 4.33Å
262L69.3Low72.6Confident71 Ų7131.6 Ų31.637%0.37217%0.171SC..Hα-helixtrans-66.2-25.3178.8-71173.1000113.1R258 Y259 C260 R264 L731R258-L262 WeakPolarHBondContact O-CG 3.39Å; R258-L262 PolarHBondContact O-N 2.8Å; Y259-L262 PolarHBondContact O-N 3.08Å; Y259-L262 VanDerWaalsContact O-N 3.17Å; C260-L262 VanDerWaalsContact C-N 3.34Å; C260-L262 PolarHBondContact O-N 3.24Å; L262-R264 PolarHBondContact O-N 3.16Å; L262-R264 VanDerWaalsContact O-N 3.15Å; L262-L731 HydrophobicContact CD2-CD2 4.21Å
263C66.2Low72.8Confident12 Ų1231 Ų318%0.08117%0.168CC..THydrogen-bonded Turntrans-69.3-5.5178.6-65.80000114Y259 C260 C261 F265 M268 S600Y259-C263 PolarHBondContact O-N 3.07Å; Y259-C263 PolarHBondContact O-SG 2.9Å; C260-C263 WeakPolarHBondContact O-CB 3.29Å; C260-C263 PolarHBondContact O-N 3.26Å; C261-C263 PolarHBondContact O-N 3.48Å; C263-F265 PolarHBondContact O-N 2.95Å; C263-M268 HydrophobicContact CB-CB 3.94Å; C263-M268 HydrophobicContact CB-CE 3.27Å; C263-M268 HydrophobicContact CB-CG 3.7Å; C263-M268 HydrophobicContact CB-SD 4.24Å; C263-M268 WeakPolarHBondContact SG-CE 3.37Å; C263-S600 WeakPolarHBondContact O-CA 3.39Å
264R60.2Low72.8Confident61 Ų6131.9 Ų31.923%0.2317%0.173CC..  trans54.219.6174-72.6-172.6169-147-8.9116.3C261 L262 L329 T734C261-R264 PolarHBondContact O-N 3.21Å; L262-R264 PolarHBondContact O-N 3.16Å; L262-R264 VanDerWaalsContact O-N 3.15Å; R264-L329 WeakPolarHBondContact O-CD1 3.48Å; R264-T734 PolarHBondContact NE-OG1 3.09Å; R264-T734 PolarHBondContact NH2-OG1 2.84Å
265F59.2Low73.1Confident40 Ų4030.2 Ų30.218%0.17516%0.164CC..SBendtrans-122.5124.8169.5-87.7-37.2000110.6C263 G267 M268 L598 C599 G601 Y642C263-F265 PolarHBondContact O-N 2.95Å; F265-G267 PolarHBondContact O-N 3Å; F265-M268 HydrophobicContact CB-CB 4.38Å; F265-M268 HydrophobicContact CB-CG 3.24Å; F265-M268 HydrophobicContact CB-SD 4.21Å; F265-M268 HydrophobicContact CD2-CG 4.43Å; F265-M268 HydrophobicContact CD2-SD 4.42Å; F265-M268 HydrophobicContact CG-CG 4.37Å; F265-M268 WeakPolarHBondContact O-CB 3.2Å; F265-M268 VanDerWaalsContact O-CG 3.27Å; F265-M268 WeakPolarHBondContact O-CG 3.36Å; F265-M268 PolarHBondContact O-N 2.92Å; F265-L598 WeakPolarHBondContact CE2-O 3.2Å; F265-C599 VanDerWaalsContact CD2-C 3.48Å; F265-C599 WeakPolarHBondContact CD2-O 3.35Å; F265-G601 VanDerWaalsContact CZ-N 3.27Å; F265-Y642 WeakPolarHBondContact CE1-OH 3.43Å; F265-Y642 HydrophobicContact CE2-CE2 4.3Å; F265-Y642 AromaticContact CZ-CE1 3.97Å; F265-Y642 HydrophobicContact CZ-CE1 3.97Å; F265-Y642 AromaticContact CZ-CE2 3.99Å; F265-Y642 HydrophobicContact CZ-CE2 3.99Å; F265-Y642 AromaticContact CZ-CZ 3.49Å; F265-Y642 VanDerWaalsContact CZ-CZ 3.49Å; F265-Y642 VanDerWaalsContact CZ-OH 3.25Å; F265-Y642 WeakPolarHBondContact CZ-OH 3.3Å
266P49.1Very low73.5Confident37 Ų3731.6 Ų31.624%0.2417%0.173CC..THydrogen-bonded Turntrans-65.1133.1-178.7-7.920.5000110.5M268 I325 C326 L329P266-M268 VanDerWaalsContact C-N 3.26Å; P266-M268 PolarHBondContact O-N 3.43Å; P266-I325 HydrophobicContact CG-CG2 4.24Å; P266-C326 HydrophobicContact CB-CB 4.4Å; P266-C326 WeakPolarHBondContact CB-SG 3.38Å; P266-C326 HydrophobicContact CG-CB 4.28Å; P266-C326 VanDerWaalsContact CG-SG 3.56Å; P266-L329 VanDerWaalsContact CD-CD1 3.46Å; P266-L329 HydrophobicContact CG-CD1 3.72Å
267G50.6Low73.7Confident15 Ų1532.2 Ų32.216%0.15518%0.177CC..THydrogen-bonded Turntrans7219.3-174.100000113.7F265 E269F265-G267 PolarHBondContact O-N 3Å; G267-E269 VanDerWaalsContact O-CG 3.32Å; G267-E269 WeakPolarHBondContact O-CG 3.48Å; G267-E269 PolarHBondContact O-N 3.06Å
268M52.8Low74.1Confident21 Ų2132 Ų3210%0.10318%0.176CC..  trans-56.5112.7167.9-97.2-75.2-6400110.9C260 C263 F265 P266 C599C260-M268 PolarHBondContact SG-O 3.35Å; C263-M268 HydrophobicContact CB-CB 3.94Å; C263-M268 HydrophobicContact CB-CE 3.27Å; C263-M268 HydrophobicContact CB-CG 3.7Å; C263-M268 HydrophobicContact CB-SD 4.24Å; C263-M268 WeakPolarHBondContact SG-CE 3.37Å; F265-M268 HydrophobicContact CB-CB 4.38Å; F265-M268 HydrophobicContact CB-CG 3.24Å; F265-M268 HydrophobicContact CB-SD 4.21Å; F265-M268 HydrophobicContact CD2-CG 4.43Å; F265-M268 HydrophobicContact CD2-SD 4.42Å; F265-M268 HydrophobicContact CG-CG 4.37Å; F265-M268 WeakPolarHBondContact O-CB 3.2Å; F265-M268 VanDerWaalsContact O-CG 3.27Å; F265-M268 WeakPolarHBondContact O-CG 3.36Å; F265-M268 PolarHBondContact O-N 2.92Å; P266-M268 VanDerWaalsContact C-N 3.26Å; P266-M268 PolarHBondContact O-N 3.43Å; M268-C599 HydrophobicContact CE-CB 3.4Å; M268-C599 VanDerWaalsContact CE-CB 3.4Å; M268-C599 WeakPolarHBondContact CE-O 3.23Å; M268-C599 HydrophobicContact SD-CB 3.71Å
269E65.6Low74.8Confident52 Ų5228.6 Ų28.624%0.24316%0.163CC..  trans-113.8127.3-175.8-81.1-178176.800106.9G267 N274 A275 R387G267-E269 VanDerWaalsContact O-CG 3.32Å; G267-E269 WeakPolarHBondContact O-CG 3.48Å; G267-E269 PolarHBondContact O-N 3.06Å; E269-N274 HydrophobicContact CB-CB 3.41Å; E269-N274 VanDerWaalsContact CB-CB 3.41Å; E269-N274 HydrophobicContact CG-CB 3.39Å; E269-N274 WeakPolarHBondContact OE2-CB 3.47Å; E269-A275 WeakPolarHBondContact OE1-CB 3.48Å; E269-A275 PolarHBondContact OE1-N 2.98Å; E269-R387 WeakPolarHBondContact OE1-CB 3.23Å; E269-R387 IonicContact OE1-NH1 3.87Å; E269-R387 IonicContact OE2-NH1 3.25Å; E269-R387 PolarHBondContact OE2-NH1 3.45Å
270T70.9Confident75.6Confident13 Ų1327.8 Ų27.88%0.0816%0.16CC..  trans-78.6159.6165.868.60000108.6T216 Y259 H272 F273 N274T216-T270 WeakPolarHBondContact CB-OG1 3.25Å; T216-T270 HydrophobicContact CG2-CG2 3.92Å; T216-T270 WeakPolarHBondContact OG1-CB 3.31Å; T216-T270 WeakPolarHBondContact OG1-CG2 3.43Å; T216-T270 PolarHBondContact OG1-OG1 3.11Å; Y259-T270 HydrophobicContact CD1-CG2 4.13Å; Y259-T270 HydrophobicContact CE1-CG2 3.63Å; T270-H272 PolarHBondContact O-N 3.13Å; T270-F273 PolarHBondContact N-O 3.11Å; T270-F273 CarbonylContact O-C 3.56Å; T270-F273 PolarHBondContact O-N 3.5Å; T270-F273 WeakPolarHBondContact OG1-CA 3.26Å; T270-F273 WeakPolarHBondContact OG1-CB 3.37Å; T270-F273 PolarHBondContact OG1-N 2.99Å; T270-F273 PolarHBondContact OG1-O 3.38Å; T270-N274 PolarHBondContact O-ND2 3.07Å
271A70.8Confident76.3Confident87 Ų8727.7 Ų27.772%0.71916%0.16SC*.SBendtrans-51.4-29.1179.700000113.3N274A271-N274 PolarHBondContact O-ND2 3.38Å
272H82.6Confident77.3Confident54 Ų5426.5 Ų26.525%0.2515%0.152CC..SBendtrans-115.1-22.9-176.3-55-84.8000114.9K217 F219 P220 T270 T277K217-H272 VanDerWaalsContact CG-CD2 3.47Å; K217-H272 WeakPolarHBondContact CG-CD2 3.44Å; F219-H272 VanDerWaalsContact CD1-O 3.25Å; F219-H272 WeakPolarHBondContact CD1-O 3.39Å; P220-H272 HydrophobicContact CG-CB 4.01Å; T270-H272 PolarHBondContact O-N 3.13Å; H272-T277 PolarHBondContact O-OG1 2.93Å
273F89.7Confident78.6Confident0 Ų023.1 Ų23.10%013%0.134CC..SBendtrans-114.6102.5172.7-178.6-98.5000109.3T216 F219 V253 C256 F257 T270 V278 W388T216-F273 HydrophobicContact CG2-CB 4.44Å; F219-F273 HydrophobicContact CB-CB 4.29Å; F219-F273 HydrophobicContact CB-CD2 4.3Å; F219-F273 HydrophobicContact CD1-CB 4.32Å; F219-F273 AromaticContact CD1-CD2 3.87Å; F219-F273 HydrophobicContact CD1-CD2 3.87Å; F219-F273 AromaticContact CD2-CD2 3.55Å; F219-F273 HydrophobicContact CD2-CD2 3.55Å; F219-F273 AromaticContact CD2-CE2 4Å; F219-F273 HydrophobicContact CD2-CE2 4Å; F219-F273 HydrophobicContact CE1-CD2 4.01Å; F219-F273 AromaticContact CE2-CD2 3.71Å; F219-F273 HydrophobicContact CE2-CD2 3.71Å; F219-F273 AromaticContact CE2-CE2 3.82Å; F219-F273 HydrophobicContact CE2-CE2 3.82Å; F219-F273 HydrophobicContact CG-CB 4.29Å; F219-F273 AromaticContact CG-CD2 3.62Å; F219-F273 HydrophobicContact CG-CD2 3.62Å; F219-F273 HydrophobicContact CG-CE2 4.5Å; F219-F273 HydrophobicContact CG-CG 4.46Å; F219-F273 AromaticContact CZ-CD2 3.93Å; F219-F273 HydrophobicContact CZ-CD2 3.93Å; F219-F273 HydrophobicContact CZ-CE2 4.17Å; V253-F273 HydrophobicContact CG1-CE2 4.17Å; V253-F273 HydrophobicContact CG1-CZ 4.3Å; C256-F273 HydrophobicContact CB-CD1 3.65Å; C256-F273 HydrophobicContact CB-CD2 3.9Å; C256-F273 HydrophobicContact CB-CE1 3.6Å; C256-F273 HydrophobicContact CB-CE2 3.86Å; C256-F273 HydrophobicContact CB-CG 3.78Å; C256-F273 HydrophobicContact CB-CZ 3.7Å; F257-F273 AromaticContact CD1-CE1 3.83Å; F257-F273 HydrophobicContact CD1-CE1 3.83Å; F257-F273 AromaticContact CD1-CZ 3.81Å; F257-F273 HydrophobicContact CD1-CZ 3.81Å; F257-F273 AromaticContact CD2-CZ 3.98Å; F257-F273 HydrophobicContact CD2-CZ 3.98Å; F257-F273 HydrophobicContact CE1-CE1 4.01Å; F257-F273 AromaticContact CE1-CZ 3.73Å; F257-F273 HydrophobicContact CE1-CZ 3.73Å; F257-F273 AromaticContact CE2-CZ 3.9Å; F257-F273 HydrophobicContact CE2-CZ 3.9Å; F257-F273 HydrophobicContact CG-CE1 4.19Å; F257-F273 AromaticContact CG-CZ 3.92Å; F257-F273 HydrophobicContact CG-CZ 3.92Å; F257-F273 HydrophobicContact CZ-CE1 4.5Å; F257-F273 AromaticContact CZ-CZ 3.76Å; F257-F273 HydrophobicContact CZ-CZ 3.76Å; T270-F273 PolarHBondContact N-O 3.11Å; T270-F273 CarbonylContact O-C 3.56Å; T270-F273 PolarHBondContact O-N 3.5Å; T270-F273 WeakPolarHBondContact OG1-CA 3.26Å; T270-F273 WeakPolarHBondContact OG1-CB 3.37Å; T270-F273 PolarHBondContact OG1-N 2.99Å; T270-F273 PolarHBondContact OG1-O 3.38Å; F273-V278 HydrophobicContact CD2-CG2 4.22Å; F273-V278 HydrophobicContact CE2-CG2 3.88Å; F273-V278 HydrophobicContact CZ-CG2 4.42Å; F273-W388 HydrophobicContact CD1-CH2 4.24Å; F273-W388 HydrophobicContact CD1-CZ2 4.38Å; F273-W388 AromaticContact CE1-CH2 3.69Å; F273-W388 HydrophobicContact CE1-CH2 3.69Å; F273-W388 AromaticContact CE1-CZ2 3.95Å; F273-W388 HydrophobicContact CE1-CZ2 3.95Å; F273-W388 AromaticContact CZ-CH2 3.9Å; F273-W388 HydrophobicContact CZ-CH2 3.9Å
274N88.5Confident80Confident19 Ų1922.6 Ų22.610%0.10213%0.13CC..SBendtrans-153.7168.4-173.55949.8000112.6E269 T270 A271 S276 T277 V278E269-N274 HydrophobicContact CB-CB 3.41Å; E269-N274 VanDerWaalsContact CB-CB 3.41Å; E269-N274 HydrophobicContact CG-CB 3.39Å; E269-N274 WeakPolarHBondContact OE2-CB 3.47Å; T270-N274 PolarHBondContact O-ND2 3.07Å; A271-N274 PolarHBondContact O-ND2 3.38Å; N274-S276 VanDerWaalsContact C-N 3.28Å; N274-S276 PolarHBondContact O-N 3.21Å; N274-S276 WeakPolarHBondContact OD1-CB 3.44Å; N274-S276 PolarHBondContact OD1-N 3.4Å; N274-T277 PolarHBondContact N-OG1 3.4Å; N274-T277 PolarHBondContact O-N 3.19Å; N274-T277 PolarHBondContact O-OG1 3Å; N274-T277 WeakPolarHBondContact OD1-CB 3.49Å; N274-T277 VanDerWaalsContact OD1-CG2 3.32Å; N274-T277 WeakPolarHBondContact OD1-CG2 3.32Å; N274-T277 PolarHBondContact OD1-N 2.95Å; N274-T277 PolarHBondContact OD1-OG1 3.32Å; N274-V278 WeakPolarHBondContact O-CG2 3.29Å; N274-V278 PolarHBondContact O-N 3.21Å
275A91.3Very high81.6Confident0 Ų019.7 Ų19.70%012%0.119CC..Hα-helixtrans-60.9-37.3-177.100000112.1E269 R279 R387 W388 V391E269-A275 WeakPolarHBondContact OE1-CB 3.48Å; E269-A275 PolarHBondContact OE1-N 2.98Å; A275-R279 WeakPolarHBondContact O-CB 3.47Å; A275-R279 PolarHBondContact O-N 3.39Å; A275-R387 HydrophobicContact CB-CB 3.6Å; A275-R387 WeakPolarHBondContact CB-O 3.41Å; A275-W388 HydrophobicContact CB-CD2 4.31Å; A275-W388 HydrophobicContact CB-CE3 4.27Å; A275-V391 HydrophobicContact CB-CG2 3.85Å; A275-V391 WeakPolarHBondContact O-CG2 2.92Å
276S90.3Very high83.3Confident34 Ų3418.3 Ų18.324%0.23811%0.114CC..Hα-helixtrans-59.2-50.4176.3-66.60000112.5N274 R279 L280 R387N274-S276 VanDerWaalsContact C-N 3.28Å; N274-S276 PolarHBondContact O-N 3.21Å; N274-S276 WeakPolarHBondContact OD1-CB 3.44Å; N274-S276 PolarHBondContact OD1-N 3.4Å; S276-R279 WeakPolarHBondContact O-CB 3.43Å; S276-R279 PolarHBondContact O-N 3.06Å; S276-L280 WeakPolarHBondContact O-CG 3.45Å; S276-L280 PolarHBondContact O-N 3.46Å; S276-R387 PolarHBondContact OG-NH1 2.86Å; S276-R387 VanDerWaalsContact OG-NH1 3.1Å; S276-R387 PolarHBondContact OG-NH2 3.28Å
277T92.2Very high85.4Confident14 Ų1417.6 Ų17.69%0.08611%0.107CC..Hα-helixtrans-68.5-40.5-178.248.80000111.8H272 N274 L280 L281H272-T277 PolarHBondContact O-OG1 2.93Å; N274-T277 PolarHBondContact N-OG1 3.4Å; N274-T277 PolarHBondContact O-N 3.19Å; N274-T277 PolarHBondContact O-OG1 3Å; N274-T277 WeakPolarHBondContact OD1-CB 3.49Å; N274-T277 VanDerWaalsContact OD1-CG2 3.32Å; N274-T277 WeakPolarHBondContact OD1-CG2 3.32Å; N274-T277 PolarHBondContact OD1-N 2.95Å; N274-T277 PolarHBondContact OD1-OG1 3.32Å; T277-L280 PolarHBondContact O-N 3.3Å; T277-L281 PolarHBondContact O-N 3.05Å
278V94.5Very high87.5Confident1 Ų116.9 Ų16.91%0.00610%0.1CC..Hα-helixtrans-67.9-37.6175.31790000111F219 F273 N274 L280 L281 V282 L311 W388 V391F219-V278 HydrophobicContact CE1-CG2 4.23Å; F219-V278 HydrophobicContact CZ-CG2 3.81Å; F273-V278 HydrophobicContact CD2-CG2 4.22Å; F273-V278 HydrophobicContact CE2-CG2 3.88Å; F273-V278 HydrophobicContact CZ-CG2 4.42Å; N274-V278 WeakPolarHBondContact O-CG2 3.29Å; N274-V278 PolarHBondContact O-N 3.21Å; V278-L280 VanDerWaalsContact C-N 3.35Å; V278-L280 PolarHBondContact O-N 3.43Å; V278-L281 WeakPolarHBondContact O-CB 3.11Å; V278-L281 PolarHBondContact O-N 3.09Å; V278-V282 WeakPolarHBondContact O-CG2 3.35Å; V278-V282 PolarHBondContact O-N 3.03Å; V278-L311 HydrophobicContact CG1-CD1 4.48Å; V278-L311 HydrophobicContact CG1-CD2 4.42Å; V278-W388 HydrophobicContact CB-CZ3 3.96Å; V278-W388 HydrophobicContact CG1-CZ3 4.25Å; V278-W388 HydrophobicContact CG2-CH2 3.9Å; V278-W388 HydrophobicContact CG2-CZ3 3.8Å; V278-V391 HydrophobicContact CG1-CG1 3.87Å
279R94.4Very high89.2Confident22 Ų2216.1 Ų16.18%0.08310%0.096CC..Hα-helixtrans-58.2-45.4172.9177.8175.965.41075.6111.7A275 S276 V282 A283 V391 I394 E481 D484 L485A275-R279 WeakPolarHBondContact O-CB 3.47Å; A275-R279 PolarHBondContact O-N 3.39Å; S276-R279 WeakPolarHBondContact O-CB 3.43Å; S276-R279 PolarHBondContact O-N 3.06Å; R279-V282 WeakPolarHBondContact O-CB 3.49Å; R279-V282 PolarHBondContact O-N 3.4Å; R279-A283 PolarHBondContact O-N 3.21Å; R279-V391 HydrophobicContact CB-CG2 4.28Å; R279-I394 HydrophobicContact CG-CD1 3.49Å; R279-I394 VanDerWaalsContact CG-CD1 3.49Å; R279-E481 PolarHBondContact NH1-O 2.82Å; R279-D484 IonicContact NH1-OD2 2.74Å; R279-D484 IonicContact NH2-OD2 2.64Å; R279-L485 HydrophobicContact CG-CD1 3.92Å
280L94.5Very high90.3Very high3 Ų318.3 Ų18.32%0.01611%0.105CC..Hα-helixtrans-67.6-37.1175.6-67.3-175.7000112.4I162 D163 F166 S276 T277 V278 V282 A283 M284 L485I162-L280 HydrophobicContact CG2-CB 3.72Å; D163-L280 HydrophobicContact CB-CD1 4.06Å; D163-L280 WeakPolarHBondContact OD1-CD1 3.23Å; F166-L280 HydrophobicContact CD1-CD1 4.48Å; F166-L280 HydrophobicContact CD1-CD2 3.68Å; F166-L280 HydrophobicContact CD2-CD2 4.41Å; F166-L280 HydrophobicContact CE1-CD2 3.65Å; F166-L280 HydrophobicContact CE2-CD2 4.4Å; F166-L280 HydrophobicContact CG-CD2 4.05Å; F166-L280 HydrophobicContact CZ-CD2 4.02Å; S276-L280 WeakPolarHBondContact O-CG 3.45Å; S276-L280 PolarHBondContact O-N 3.46Å; T277-L280 PolarHBondContact O-N 3.3Å; V278-L280 VanDerWaalsContact C-N 3.35Å; V278-L280 PolarHBondContact O-N 3.43Å; L280-V282 VanDerWaalsContact C-N 3.33Å; L280-V282 PolarHBondContact O-N 3.24Å; L280-A283 WeakPolarHBondContact O-CB 3.26Å; L280-A283 PolarHBondContact O-N 3.41Å; L280-M284 WeakPolarHBondContact O-CB 3.25Å; L280-M284 VanDerWaalsContact O-CG 3.28Å; L280-M284 WeakPolarHBondContact O-CG 3.47Å; L280-M284 PolarHBondContact O-N 3.28Å; L280-L485 HydrophobicContact CD2-CD2 4.46Å
281L96Very high91.4Very high1 Ų118.4 Ų18.41%0.00510%0.104CC..Hα-helixtrans-60-43.4172.2178.761.4000111.6F219 T277 V278 M284 Q285 W307 L311F219-L281 HydrophobicContact CE2-CD2 4.21Å; F219-L281 HydrophobicContact CZ-CD2 3.83Å; T277-L281 PolarHBondContact O-N 3.05Å; V278-L281 WeakPolarHBondContact O-CB 3.11Å; V278-L281 PolarHBondContact O-N 3.09Å; L281-M284 WeakPolarHBondContact O-CB 3.3Å; L281-M284 PolarHBondContact O-N 3.37Å; L281-Q285 WeakPolarHBondContact O-CG 3.42Å; L281-Q285 PolarHBondContact O-N 2.99Å; L281-W307 HydrophobicContact CD1-CH2 3.78Å; L281-W307 HydrophobicContact CD1-CZ2 4.1Å; L281-W307 HydrophobicContact CD2-CZ2 4.39Å; L281-L311 HydrophobicContact CD2-CD2 4.25Å
282V95.8Very high92.2Very high0 Ų014.3 Ų14.30%07%0.071CC..Hα-helixtrans-60.5-46.4174.2166.70000110.5V278 R279 L280 M284 Q285 I286 M308 L311 V391 I394 M395V278-V282 WeakPolarHBondContact O-CG2 3.35Å; V278-V282 PolarHBondContact O-N 3.03Å; R279-V282 WeakPolarHBondContact O-CB 3.49Å; R279-V282 PolarHBondContact O-N 3.4Å; L280-V282 VanDerWaalsContact C-N 3.33Å; L280-V282 PolarHBondContact O-N 3.24Å; V282-M284 VanDerWaalsContact C-N 3.33Å; V282-M284 PolarHBondContact O-N 3.17Å; V282-Q285 WeakPolarHBondContact O-CB 3.23Å; V282-Q285 PolarHBondContact O-N 3.13Å; V282-Q285 VanDerWaalsContact O-N 3.13Å; V282-I286 HydrophobicContact CG1-CD1 4.2Å; V282-I286 WeakPolarHBondContact O-CG1 3.34Å; V282-I286 PolarHBondContact O-N 2.95Å; V282-M308 HydrophobicContact CG1-CE 3.72Å; V282-M308 HydrophobicContact CG1-SD 4.14Å; V282-M308 HydrophobicContact CG2-SD 4.49Å; V282-L311 HydrophobicContact CG2-CD2 3.91Å; V282-V391 HydrophobicContact CG2-CG1 4.4Å; V282-I394 HydrophobicContact CG1-CG2 4.03Å; V282-M395 HydrophobicContact CG1-CG 3.93Å; V282-M395 HydrophobicContact CG2-CE 3.89Å; V282-M395 HydrophobicContact CG2-CG 4.02Å; V282-M395 HydrophobicContact CG2-SD 4.02Å
283A94.8Very high92.4Very high0 Ų018 Ų180%08%0.082CC..Hα-helixtrans-59.8-43.1176.600000112.3F166 R279 L280 Q285 I286 M287 L485 V488F166-A283 HydrophobicContact CD2-CB 4.21Å; F166-A283 HydrophobicContact CE2-CB 3.64Å; F166-A283 HydrophobicContact CZ-CB 4.38Å; R279-A283 PolarHBondContact O-N 3.21Å; L280-A283 WeakPolarHBondContact O-CB 3.26Å; L280-A283 PolarHBondContact O-N 3.41Å; A283-Q285 PolarHBondContact O-N 3.43Å; A283-I286 WeakPolarHBondContact O-CB 3.4Å; A283-I286 PolarHBondContact O-N 3.06Å; A283-M287 WeakPolarHBondContact O-CG 3.34Å; A283-M287 PolarHBondContact O-N 3.34Å; A283-L485 HydrophobicContact CB-CD1 4.43Å; A283-L485 HydrophobicContact CB-CD2 3.41Å; A283-L485 VanDerWaalsContact CB-CD2 3.41Å; A283-V488 HydrophobicContact CB-CG1 4.15Å; A283-V488 WeakPolarHBondContact O-CG1 3.45Å
284M95.9Very high92.5Very high0 Ų023.3 Ų23.30%011%0.107CC..Hα-helixtrans-60-44.5173.2-72.7173.656.800111.4I162 V165 F166 L224 F227 L280 L281 V282 I286 M287 L288I162-M284 HydrophobicContact CG2-SD 3.96Å; V165-M284 HydrophobicContact CB-CE 4.16Å; V165-M284 HydrophobicContact CG1-CE 3.48Å; V165-M284 VanDerWaalsContact CG1-CE 3.48Å; V165-M284 HydrophobicContact CG1-SD 4.37Å; F166-M284 HydrophobicContact CB-CG 4Å; F166-M284 HydrophobicContact CB-SD 4.05Å; F166-M284 HydrophobicContact CD2-CG 3.96Å; F166-M284 HydrophobicContact CG-CG 4.48Å; L224-M284 HydrophobicContact CD2-CE 3.72Å; F227-M284 HydrophobicContact CB-CE 4.38Å; F227-M284 HydrophobicContact CD1-CE 3.85Å; F227-M284 HydrophobicContact CD2-CB 4.06Å; F227-M284 HydrophobicContact CD2-CE 3.71Å; F227-M284 HydrophobicContact CE1-CE 4.04Å; F227-M284 HydrophobicContact CE2-CB 3.64Å; F227-M284 HydrophobicContact CE2-CE 3.9Å; F227-M284 WeakPolarHBondContact CE2-O 3.49Å; F227-M284 HydrophobicContact CG-CE 3.68Å; F227-M284 HydrophobicContact CZ-CB 4.32Å; F227-M284 HydrophobicContact CZ-CE 4.06Å; L280-M284 WeakPolarHBondContact O-CB 3.25Å; L280-M284 VanDerWaalsContact O-CG 3.28Å; L280-M284 WeakPolarHBondContact O-CG 3.47Å; L280-M284 PolarHBondContact O-N 3.28Å; L281-M284 WeakPolarHBondContact O-CB 3.3Å; L281-M284 PolarHBondContact O-N 3.37Å; V282-M284 VanDerWaalsContact C-N 3.33Å; V282-M284 PolarHBondContact O-N 3.17Å; M284-I286 VanDerWaalsContact C-N 3.32Å; M284-I286 PolarHBondContact O-N 3.32Å; M284-M287 PolarHBondContact O-N 3.2Å; M284-L288 WeakPolarHBondContact O-CB 3.4Å; M284-L288 PolarHBondContact O-N 3.01Å
285Q95.1Very high92.6Very high1 Ų128.2 Ų28.21%0.00513%0.127CC..Hα-helixtrans-59.3-40.9175.9-75.2176.6-7.900112.2L281 V282 A283 L288 I289 W307 M308L281-Q285 WeakPolarHBondContact O-CG 3.42Å; L281-Q285 PolarHBondContact O-N 2.99Å; V282-Q285 WeakPolarHBondContact O-CB 3.23Å; V282-Q285 PolarHBondContact O-N 3.13Å; V282-Q285 VanDerWaalsContact O-N 3.13Å; A283-Q285 PolarHBondContact O-N 3.43Å; Q285-L288 WeakPolarHBondContact O-CB 3.09Å; Q285-L288 PolarHBondContact O-N 2.9Å; Q285-I289 VanDerWaalsContact O-CG1 3.27Å; Q285-I289 WeakPolarHBondContact O-CG1 3.44Å; Q285-I289 PolarHBondContact O-N 2.89Å; Q285-W307 HydrophobicContact CG-CD2 4.49Å; Q285-W307 HydrophobicContact CG-CE3 3.81Å; Q285-W307 HydrophobicContact CG-CH2 4.12Å; Q285-W307 HydrophobicContact CG-CZ3 3.6Å; Q285-W307 VanDerWaalsContact NE2-CZ2 3.31Å; Q285-M308 HydrophobicContact CB-SD 4.27Å; Q285-M308 PolarHBondContact OE1-SD 3.17Å
286I93Very high92.4Very high11 Ų1134.7 Ų34.76%0.05616%0.162CC..Hα-helixtrans-60.4-48.4174.8-64.7169.9000110.4V282 A283 M284 L288 I289 K290 W398 V488 I489V282-I286 HydrophobicContact CG1-CD1 4.2Å; V282-I286 WeakPolarHBondContact O-CG1 3.34Å; V282-I286 PolarHBondContact O-N 2.95Å; A283-I286 WeakPolarHBondContact O-CB 3.4Å; A283-I286 PolarHBondContact O-N 3.06Å; M284-I286 VanDerWaalsContact C-N 3.32Å; M284-I286 PolarHBondContact O-N 3.32Å; I286-L288 VanDerWaalsContact C-N 3.33Å; I286-L288 PolarHBondContact O-N 2.84Å; I286-I289 PolarHBondContact O-N 3.23Å; I286-K290 PolarHBondContact O-N 2.88Å; I286-W398 HydrophobicContact CD1-CB 3.93Å; I286-W398 HydrophobicContact CD1-CG 3.71Å; I286-W398 HydrophobicContact CG1-CD2 4.17Å; I286-W398 HydrophobicContact CG1-CG 3.81Å; I286-V488 HydrophobicContact CB-CG1 3.75Å; I286-V488 HydrophobicContact CD1-CG1 4.27Å; I286-V488 HydrophobicContact CG2-CG1 3.64Å; I286-I489 HydrophobicContact CD1-CG1 4.33Å
287M93.3Very high92.1Very high22 Ų2235.6 Ų35.611%0.10816%0.164CC..Hα-helixtrans-63.1-38.2177.6-65.5-178.67700112.4F166 L169 L170 K173 A283 M284 K290 H291 V488F166-M287 HydrophobicContact CD2-SD 4.49Å; F166-M287 HydrophobicContact CE2-SD 4.29Å; L169-M287 HydrophobicContact CB-CE 4.31Å; L169-M287 HydrophobicContact CD2-CB 3.74Å; L169-M287 HydrophobicContact CD2-CE 3.83Å; L169-M287 HydrophobicContact CD2-CG 4.36Å; L169-M287 HydrophobicContact CD2-SD 3.71Å; L169-M287 HydrophobicContact CG-CE 3.58Å; L169-M287 HydrophobicContact CG-SD 4.08Å; L170-M287 HydrophobicContact CD2-CE 3.79Å; L170-M287 HydrophobicContact CD2-SD 3.93Å; L170-M287 HydrophobicContact CG-CE 4.31Å; L170-M287 HydrophobicContact CG-SD 4.31Å; K173-M287 HydrophobicContact CB-CE 3.97Å; K173-M287 HydrophobicContact CG-CE 3.73Å; A283-M287 WeakPolarHBondContact O-CG 3.34Å; A283-M287 PolarHBondContact O-N 3.34Å; M284-M287 PolarHBondContact O-N 3.2Å; M287-K290 PolarHBondContact O-N 3.17Å; M287-H291 WeakPolarHBondContact O-CB 3.49Å; M287-H291 PolarHBondContact O-N 3.14Å; M287-V488 HydrophobicContact CG-CG1 3.89Å; M287-V488 HydrophobicContact CG-CG2 4.04Å; M287-V488 HydrophobicContact SD-CG2 3.9Å
288L94.8Very high91.4Very high0 Ų040.1 Ų40.10%019%0.187CC..Hα-helixtrans-64.3-46176171.866000111.7F227 L230 Y231 M284 Q285 I286 K290 H291 L292 A304 W307F227-L288 HydrophobicContact CD2-CB 4.5Å; F227-L288 HydrophobicContact CD2-CD2 4.08Å; F227-L288 HydrophobicContact CE2-CB 3.7Å; F227-L288 HydrophobicContact CE2-CD2 4.08Å; F227-L288 HydrophobicContact CE2-CG 4.34Å; F227-L288 HydrophobicContact CZ-CB 4.19Å; L230-L288 HydrophobicContact CB-CD1 4.07Å; L230-L288 HydrophobicContact CB-CD2 3.64Å; L230-L288 HydrophobicContact CB-CG 4.39Å; L230-L288 HydrophobicContact CD1-CD2 3.89Å; L230-L288 HydrophobicContact CG-CD2 4.38Å; Y231-L288 HydrophobicContact CD2-CD1 4.07Å; M284-L288 WeakPolarHBondContact O-CB 3.4Å; M284-L288 PolarHBondContact O-N 3.01Å; Q285-L288 WeakPolarHBondContact O-CB 3.09Å; Q285-L288 PolarHBondContact O-N 2.9Å; I286-L288 VanDerWaalsContact C-N 3.33Å; I286-L288 PolarHBondContact O-N 2.84Å; L288-K290 VanDerWaalsContact C-N 3.31Å; L288-K290 PolarHBondContact O-N 3.41Å; L288-H291 WeakPolarHBondContact O-CB 3.44Å; L288-H291 PolarHBondContact O-N 3.44Å; L288-L292 HydrophobicContact CD1-CD1 3.87Å; L288-L292 HydrophobicContact CD1-CG 4.05Å; L288-L292 HydrophobicContact CG-CD1 3.95Å; L288-L292 HydrophobicContact CG-CG 4.48Å; L288-L292 WeakPolarHBondContact O-CB 3.5Å; L288-L292 WeakPolarHBondContact O-CG 3.35Å; L288-L292 PolarHBondContact O-N 2.94Å; L288-A304 HydrophobicContact CD2-CB 4.14Å; L288-A304 HydrophobicContact CG-CB 4.39Å; L288-W307 HydrophobicContact CD2-CZ3 4.44Å
289I89.2Confident90.7Very high4 Ų443.5 Ų43.52%0.02121%0.208CC..Hα-helixtrans-61.1-43.4177.4-69.4162.9000110.2Q285 I286 L292 R293 M301 A304 V305 M308 W398Q285-I289 VanDerWaalsContact O-CG1 3.27Å; Q285-I289 WeakPolarHBondContact O-CG1 3.44Å; Q285-I289 PolarHBondContact O-N 2.89Å; I286-I289 PolarHBondContact O-N 3.23Å; I289-L292 PolarHBondContact O-N 3.05Å; I289-R293 WeakPolarHBondContact O-CB 3.44Å; I289-R293 PolarHBondContact O-N 3.02Å; I289-M301 HydrophobicContact CG2-CG 4.42Å; I289-A304 HydrophobicContact CG1-CB 3.94Å; I289-V305 HydrophobicContact CD1-CG2 3.93Å; I289-V305 HydrophobicContact CG1-CG2 4.09Å; I289-V305 HydrophobicContact CG2-CG2 4.12Å; I289-M308 HydrophobicContact CD1-CB 4.26Å; I289-M308 HydrophobicContact CD1-CG 4.49Å; I289-W398 HydrophobicContact CD1-CH2 3.84Å; I289-W398 HydrophobicContact CD1-CZ2 3.76Å; I289-W398 HydrophobicContact CG2-CZ2 4.46Å
290K89.3Confident90.2Very high99 Ų9942.7 Ų42.743%0.4321%0.206SC..Hα-helixtrans-60.4-46.5174-176.6177.9177.7178.70111.5I286 M287 L288 L292 R293 E294I286-K290 PolarHBondContact O-N 2.88Å; M287-K290 PolarHBondContact O-N 3.17Å; L288-K290 VanDerWaalsContact C-N 3.31Å; L288-K290 PolarHBondContact O-N 3.41Å; K290-L292 PolarHBondContact O-N 3.24Å; K290-R293 WeakPolarHBondContact O-CB 3.47Å; K290-R293 PolarHBondContact O-N 3.28Å; K290-E294 VanDerWaalsContact CE-OE1 3.24Å; K290-E294 WeakPolarHBondContact CE-OE1 3.37Å; K290-E294 WeakPolarHBondContact O-CG 3.31Å; K290-E294 PolarHBondContact O-N 2.95Å
291H92.5Very high89.7Confident14 Ų1444.7 Ų44.77%0.06522%0.216CC..Hα-helixtrans-60.4-44.8178179.959.6000113.2Y231 M287 L288 R293 E294 K295Y231-H291 AromaticContact CD2-CD2 3.62Å; Y231-H291 AromaticContact CE2-CD2 3.51Å; Y231-H291 AromaticContact CE2-CG 3.9Å; Y231-H291 AromaticContact CE2-NE2 3.79Å; M287-H291 WeakPolarHBondContact O-CB 3.49Å; M287-H291 PolarHBondContact O-N 3.14Å; L288-H291 WeakPolarHBondContact O-CB 3.44Å; L288-H291 PolarHBondContact O-N 3.44Å; H291-R293 VanDerWaalsContact C-N 3.31Å; H291-R293 PolarHBondContact O-N 3.42Å; H291-E294 PolarHBondContact O-N 3.45Å; H291-K295 WeakPolarHBondContact CE1-CE 3.32Å; H291-K295 PolarHBondContact CE1-NZ 2.64Å; H291-K295 WeakPolarHBondContact NE2-CD 3.42Å; H291-K295 WeakPolarHBondContact NE2-CE 3.22Å; H291-K295 PolarHBondContact NE2-NZ 2.74Å; H291-K295 PolarHBondContact O-N 3.35Å
292L89Confident88.8Confident2 Ų248.2 Ų48.21%0.0124%0.237CC..Hα-helixtrans-66.9-34.8178.3-70.3171000111.8L288 I289 K290 K295 N296 N297 L300 M301 A304L288-L292 HydrophobicContact CD1-CD1 3.87Å; L288-L292 HydrophobicContact CD1-CG 4.05Å; L288-L292 HydrophobicContact CG-CD1 3.95Å; L288-L292 HydrophobicContact CG-CG 4.48Å; L288-L292 WeakPolarHBondContact O-CB 3.5Å; L288-L292 WeakPolarHBondContact O-CG 3.35Å; L288-L292 PolarHBondContact O-N 2.94Å; I289-L292 PolarHBondContact O-N 3.05Å; K290-L292 PolarHBondContact O-N 3.24Å; L292-K295 PolarHBondContact O-N 3.46Å; L292-N296 PolarHBondContact O-N 3.35Å; L292-N296 VanDerWaalsContact O-N 3.16Å; L292-N297 HydrophobicContact CD2-CB 4.18Å; L292-N297 PolarHBondContact O-N 3.48Å; L292-L300 HydrophobicContact CD1-CB 4.09Å; L292-L300 HydrophobicContact CD2-CB 3.95Å; L292-L300 HydrophobicContact CD2-CD1 4.39Å; L292-M301 HydrophobicContact CB-CB 4.06Å; L292-M301 HydrophobicContact CB-CG 4.48Å; L292-A304 HydrophobicContact CD1-CB 3.82Å
293R86.1Confident88.2Confident132 Ų13248.8 Ų48.850%0.49824%0.241SC..Hα-helixtrans-63.4-48.6171.7-174.5-175-65.3-177.41.9111.3I289 K290 H291 K295 N296 M301I289-R293 WeakPolarHBondContact O-CB 3.44Å; I289-R293 PolarHBondContact O-N 3.02Å; K290-R293 WeakPolarHBondContact O-CB 3.47Å; K290-R293 PolarHBondContact O-N 3.28Å; H291-R293 VanDerWaalsContact C-N 3.31Å; H291-R293 PolarHBondContact O-N 3.42Å; R293-K295 VanDerWaalsContact C-N 3.27Å; R293-K295 PolarHBondContact O-N 2.86Å; R293-N296 PolarHBondContact O-N 3.39Å; R293-N296 PolarHBondContact O-OD1 2.86Å; R293-M301 HydrophobicContact CB-SD 3.98Å; R293-M301 HydrophobicContact CG-SD 4.41Å
294E91.2Very high87.7Confident111 Ų11148.9 Ų48.952%0.51924%0.241SC..Hα-helixtrans-59.9-36.4177.2-71.8166.2-179.900112.2K290 H291 N296K290-E294 VanDerWaalsContact CE-OE1 3.24Å; K290-E294 WeakPolarHBondContact CE-OE1 3.37Å; K290-E294 WeakPolarHBondContact O-CG 3.31Å; K290-E294 PolarHBondContact O-N 2.95Å; H291-E294 PolarHBondContact O-N 3.45Å; E294-N296 VanDerWaalsContact C-N 3.28Å; E294-N296 PolarHBondContact O-N 2.9Å
295K91.5Very high87Confident122 Ų12249.4 Ų49.453%0.5324%0.244SC..THydrogen-bonded Turntrans-79.1-2.3174.3-78.9-174.6167.41660114.5H291 L292 R293 N297H291-K295 WeakPolarHBondContact CE1-CE 3.32Å; H291-K295 PolarHBondContact CE1-NZ 2.64Å; H291-K295 WeakPolarHBondContact NE2-CD 3.42Å; H291-K295 WeakPolarHBondContact NE2-CE 3.22Å; H291-K295 PolarHBondContact NE2-NZ 2.74Å; H291-K295 PolarHBondContact O-N 3.35Å; L292-K295 PolarHBondContact O-N 3.46Å; R293-K295 VanDerWaalsContact C-N 3.27Å; R293-K295 PolarHBondContact O-N 2.86Å; K295-N297 PolarHBondContact O-N 3.29Å
296N87.2Confident86.2Confident136 Ų13650 Ų5073%0.72725%0.248SC*.THydrogen-bonded Turntrans53.630.3-173-66.3-46.9000114.3L292 R293 E294 I298L292-N296 PolarHBondContact O-N 3.35Å; L292-N296 VanDerWaalsContact O-N 3.16Å; R293-N296 PolarHBondContact O-N 3.39Å; R293-N296 PolarHBondContact O-OD1 2.86Å; E294-N296 VanDerWaalsContact C-N 3.28Å; E294-N296 PolarHBondContact O-N 2.9Å; N296-I298 PolarHBondContact O-N 3.49Å; N296-I298 VanDerWaalsContact O-N 3.16Å
297N85Confident86.1Confident52 Ų5249.6 Ų49.628%0.27825%0.246SC..  trans-89.675.6178.4-167.3-24.8000111L292 K295 P299 L300 M301L292-N297 HydrophobicContact CD2-CB 4.18Å; L292-N297 PolarHBondContact O-N 3.48Å; K295-N297 PolarHBondContact O-N 3.29Å; N297-P299 WeakPolarHBondContact OD1-CD 3.44Å; N297-L300 VanDerWaalsContact ND2-CD1 3.34Å; N297-L300 WeakPolarHBondContact ND2-CD1 3.27Å; N297-L300 PolarHBondContact O-N 3.15Å; N297-L300 PolarHBondContact OD1-N 3.47Å; N297-M301 WeakPolarHBondContact O-CB 3.19Å; N297-M301 PolarHBondContact O-N 3.17Å
298I77.1Confident85.8Confident110 Ų11048.6 Ų48.656%0.56424%0.241SC*.Hα-helixtrans-56.7-46.8-175.7-57.6172.1000112.6N296 L300 M301 V302N296-I298 PolarHBondContact O-N 3.49Å; N296-I298 VanDerWaalsContact O-N 3.16Å; I298-L300 PolarHBondContact O-N 3.21Å; I298-M301 WeakPolarHBondContact O-CB 3.34Å; I298-M301 PolarHBondContact O-N 3.33Å; I298-V302 HydrophobicContact CG2-CG2 4.43Å; I298-V302 WeakPolarHBondContact O-CG2 3.42Å; I298-V302 PolarHBondContact O-N 3.04Å
299P79.8Confident85.3Confident71 Ų7148.7 Ų48.746%0.46124%0.242SC..Hα-helixtrans-58.7-44.3-177.8-25.935.7000113.7V239 N297 V303V239-P299 HydrophobicContact CG1-CB 4.35Å; V239-P299 HydrophobicContact CG2-CB 3.85Å; N297-P299 WeakPolarHBondContact OD1-CD 3.44Å; P299-V303 PolarHBondContact O-N 3.11Å
300L84.2Confident85.1Confident6 Ų648.9 Ų48.93%0.03124%0.244CC..Hα-helixtrans-74.1-33.8177.4-66-176.4000112.3L230 P233 V239 I242 L292 N297 I298 V302 V303 A304L230-L300 HydrophobicContact CD2-CD2 4.41Å; P233-L300 HydrophobicContact CB-CD1 4.23Å; P233-L300 HydrophobicContact CG-CD1 3.71Å; V239-L300 HydrophobicContact CG2-CD2 4.14Å; I242-L300 HydrophobicContact CD1-CD2 3.68Å; L292-L300 HydrophobicContact CD1-CB 4.09Å; L292-L300 HydrophobicContact CD2-CB 3.95Å; L292-L300 HydrophobicContact CD2-CD1 4.39Å; N297-L300 VanDerWaalsContact ND2-CD1 3.34Å; N297-L300 WeakPolarHBondContact ND2-CD1 3.27Å; N297-L300 PolarHBondContact O-N 3.15Å; N297-L300 PolarHBondContact OD1-N 3.47Å; I298-L300 PolarHBondContact O-N 3.21Å; L300-V302 VanDerWaalsContact C-N 3.26Å; L300-V302 PolarHBondContact O-N 2.91Å; L300-V303 PolarHBondContact O-N 3.36Å; L300-V303 VanDerWaalsContact O-N 3.14Å; L300-A304 WeakPolarHBondContact O-CB 3.41Å; L300-A304 PolarHBondContact O-N 3.01Å
301M83Confident85.2Confident45 Ų4544.2 Ų44.222%0.22222%0.223CC..Hα-helixtrans-58.8-41.2174.7-172.8-176.267.600110.8I289 L292 R293 N297 I298 A304 V305I289-M301 HydrophobicContact CG2-CG 4.42Å; L292-M301 HydrophobicContact CB-CB 4.06Å; L292-M301 HydrophobicContact CB-CG 4.48Å; R293-M301 HydrophobicContact CB-SD 3.98Å; R293-M301 HydrophobicContact CG-SD 4.41Å; N297-M301 WeakPolarHBondContact O-CB 3.19Å; N297-M301 PolarHBondContact O-N 3.17Å; I298-M301 WeakPolarHBondContact O-CB 3.34Å; I298-M301 PolarHBondContact O-N 3.33Å; M301-A304 PolarHBondContact O-N 3.46Å; M301-V305 VanDerWaalsContact O-CG2 3.31Å; M301-V305 WeakPolarHBondContact O-CG2 3.32Å; M301-V305 PolarHBondContact O-N 2.9Å
302V77.3Confident85.1Confident75 Ų7543.6 Ų43.646%0.45522%0.22SC..Hα-helixtrans-60.8-45.4174.6172.90000111I298 L300 V305 S306I298-V302 HydrophobicContact CG2-CG2 4.43Å; I298-V302 WeakPolarHBondContact O-CG2 3.42Å; I298-V302 PolarHBondContact O-N 3.04Å; L300-V302 VanDerWaalsContact C-N 3.26Å; L300-V302 PolarHBondContact O-N 2.91Å; V302-V305 PolarHBondContact O-N 3.34Å; V302-S306 WeakPolarHBondContact O-CB 3.27Å; V302-S306 PolarHBondContact O-N 2.81Å; V302-S306 PolarHBondContact O-OG 3.14Å
303V82.2Confident84.9Confident12 Ų1243.5 Ų43.57%0.07322%0.22CC..Hα-helixtrans-63.6-42.4177.4179.70000111.7L230 V239 I242 P299 L300 S306 W307L230-V303 HydrophobicContact CD2-CB 4.1Å; L230-V303 HydrophobicContact CD2-CG1 3.89Å; V239-V303 HydrophobicContact CG1-CG2 3.66Å; I242-V303 HydrophobicContact CG2-CG1 4.35Å; P299-V303 PolarHBondContact O-N 3.11Å; L300-V303 PolarHBondContact O-N 3.36Å; L300-V303 VanDerWaalsContact O-N 3.14Å; V303-S306 WeakPolarHBondContact O-CB 3.45Å; V303-S306 PolarHBondContact O-N 2.96Å; V303-W307 WeakPolarHBondContact O-CB 3.48Å; V303-W307 PolarHBondContact O-N 3.41Å
304A85.3Confident85Confident1 Ų137.4 Ų37.41%0.00820%0.198CC..Hα-helixtrans-64-44.3178.600000112.3L230 L288 I289 L292 L300 M301 S306 W307 M308L230-A304 HydrophobicContact CD1-CB 4.42Å; L230-A304 HydrophobicContact CD2-CB 4.47Å; L288-A304 HydrophobicContact CD2-CB 4.14Å; L288-A304 HydrophobicContact CG-CB 4.39Å; I289-A304 HydrophobicContact CG1-CB 3.94Å; L292-A304 HydrophobicContact CD1-CB 3.82Å; L300-A304 WeakPolarHBondContact O-CB 3.41Å; L300-A304 PolarHBondContact O-N 3.01Å; M301-A304 PolarHBondContact O-N 3.46Å; A304-S306 VanDerWaalsContact C-N 3.33Å; A304-S306 PolarHBondContact O-N 3.37Å; A304-W307 PolarHBondContact O-N 2.91Å; A304-M308 PolarHBondContact O-N 3.04Å
305V81.2Confident85Confident11 Ų1132.1 Ų32.17%0.06717%0.173CC..Hα-helixtrans-62.4-42.9173.9171.70000110.6I289 M301 V302 W307 M308 L309 L405I289-V305 HydrophobicContact CD1-CG2 3.93Å; I289-V305 HydrophobicContact CG1-CG2 4.09Å; I289-V305 HydrophobicContact CG2-CG2 4.12Å; M301-V305 VanDerWaalsContact O-CG2 3.31Å; M301-V305 WeakPolarHBondContact O-CG2 3.32Å; M301-V305 PolarHBondContact O-N 2.9Å; V302-V305 PolarHBondContact O-N 3.34Å; V305-W307 VanDerWaalsContact C-N 3.29Å; V305-W307 PolarHBondContact O-N 3.48Å; V305-M308 PolarHBondContact O-N 2.79Å; V305-L309 HydrophobicContact CG1-CD1 3.95Å; V305-L309 HydrophobicContact CG1-CG 4.22Å; V305-L309 VanDerWaalsContact O-CG 3.31Å; V305-L309 WeakPolarHBondContact O-CG 3.21Å; V305-L309 PolarHBondContact O-N 3.29Å; V305-L405 HydrophobicContact CG1-CD2 4.14Å
306S79.1Confident85Confident13 Ų1326.3 Ų26.39%0.09115%0.148CC..Hα-helixtrans-57.9-42.9176.8-56.10000112.2V302 V303 A304 S310 I416V302-S306 WeakPolarHBondContact O-CB 3.27Å; V302-S306 PolarHBondContact O-N 2.81Å; V302-S306 PolarHBondContact O-OG 3.14Å; V303-S306 WeakPolarHBondContact O-CB 3.45Å; V303-S306 PolarHBondContact O-N 2.96Å; A304-S306 VanDerWaalsContact C-N 3.33Å; A304-S306 PolarHBondContact O-N 3.37Å; S306-S310 WeakPolarHBondContact O-CB 3.5Å; S306-S310 PolarHBondContact O-N 2.81Å; S306-S310 PolarHBondContact O-OG 3.1Å; S306-I416 VanDerWaalsContact CB-CD1 3.4Å; S306-I416 WeakPolarHBondContact OG-CD1 3.12Å; S306-I416 WeakPolarHBondContact OG-CG1 3.3Å
307W88.9Confident84.9Confident3 Ų320.9 Ų20.91%0.01112%0.119CC..Hα-helixtrans-66-44.9178.1179.838.1000111.9V226 F227 L230 C246 H249 L281 Q285 L288 V303 A304 V305 S310 L311V226-W307 HydrophobicContact CB-CH2 4.29Å; V226-W307 HydrophobicContact CB-CZ2 4.24Å; V226-W307 HydrophobicContact CG1-CD2 4.04Å; V226-W307 HydrophobicContact CG1-CE3 4.11Å; V226-W307 HydrophobicContact CG1-CH2 3.94Å; V226-W307 HydrophobicContact CG1-CZ2 3.89Å; V226-W307 HydrophobicContact CG1-CZ3 4.06Å; F227-W307 HydrophobicContact CB-CH2 4.45Å; L230-W307 HydrophobicContact CD1-CE3 3.63Å; L230-W307 HydrophobicContact CD1-CZ3 3.96Å; C246-W307 HydrophobicContact CB-CB 4.38Å; C246-W307 HydrophobicContact CB-CG 4.32Å; H249-W307 AromaticContact CE1-CZ2 3.77Å; H249-W307 AromaticContact CE1-NE1 3.66Å; H249-W307 AromaticContact ND1-CE2 3.91Å; H249-W307 AromaticContact ND1-CZ2 3.99Å; H249-W307 AromaticContact ND1-NE1 3.25Å; H249-W307 PolarHBondContact ND1-NE1 3.41Å; L281-W307 HydrophobicContact CD1-CH2 3.78Å; L281-W307 HydrophobicContact CD1-CZ2 4.1Å; L281-W307 HydrophobicContact CD2-CZ2 4.39Å; Q285-W307 HydrophobicContact CG-CD2 4.49Å; Q285-W307 HydrophobicContact CG-CE3 3.81Å; Q285-W307 HydrophobicContact CG-CH2 4.12Å; Q285-W307 HydrophobicContact CG-CZ3 3.6Å; Q285-W307 VanDerWaalsContact NE2-CZ2 3.31Å; L288-W307 HydrophobicContact CD2-CZ3 4.44Å; V303-W307 WeakPolarHBondContact O-CB 3.48Å; V303-W307 PolarHBondContact O-N 3.41Å; A304-W307 PolarHBondContact O-N 2.91Å; V305-W307 VanDerWaalsContact C-N 3.29Å; V305-W307 PolarHBondContact O-N 3.48Å; W307-S310 PolarHBondContact O-N 3.06Å; W307-L311 WeakPolarHBondContact O-CB 3.5Å; W307-L311 PolarHBondContact O-N 3.42Å
308M88.4Confident85.1Confident2 Ų218.5 Ų18.51%0.0111%0.106CC..Hα-helixtrans-58.5-47.9174.6173.762.817900112.2V282 Q285 I289 A304 V305 S310 L311 F312 M395 W398V282-M308 HydrophobicContact CG1-CE 3.72Å; V282-M308 HydrophobicContact CG1-SD 4.14Å; V282-M308 HydrophobicContact CG2-SD 4.49Å; Q285-M308 HydrophobicContact CB-SD 4.27Å; Q285-M308 PolarHBondContact OE1-SD 3.17Å; I289-M308 HydrophobicContact CD1-CB 4.26Å; I289-M308 HydrophobicContact CD1-CG 4.49Å; A304-M308 PolarHBondContact O-N 3.04Å; V305-M308 PolarHBondContact O-N 2.79Å; M308-S310 VanDerWaalsContact C-N 3.34Å; M308-S310 PolarHBondContact O-N 3.3Å; M308-L311 PolarHBondContact O-N 3.22Å; M308-F312 PolarHBondContact O-N 3.27Å; M308-M395 HydrophobicContact CE-CB 4.33Å; M308-M395 HydrophobicContact CE-CE 3.62Å; M308-M395 HydrophobicContact CE-CG 4.03Å; M308-M395 WeakPolarHBondContact O-CE 3.18Å; M308-M395 HydrophobicContact SD-CE 3.55Å; M308-M395 VanDerWaalsContact SD-CE 3.55Å; M308-W398 HydrophobicContact CE-CD2 4.1Å; M308-W398 HydrophobicContact CE-CE3 3.65Å; M308-W398 HydrophobicContact CE-CZ3 4.17Å; M308-W398 HydrophobicContact CG-CE3 4.31Å; M308-W398 HydrophobicContact CG-CH2 4.25Å; M308-W398 HydrophobicContact CG-CZ3 3.86Å
309L83.3Confident85.7Confident2 Ų213.3 Ų13.31%0.018%0.079CC..Hα-helixtrans-69.1-32179.9-64.6-178.6000113V305 F312 S313 L399 M409 V412 L427V305-L309 HydrophobicContact CG1-CD1 3.95Å; V305-L309 HydrophobicContact CG1-CG 4.22Å; V305-L309 VanDerWaalsContact O-CG 3.31Å; V305-L309 WeakPolarHBondContact O-CG 3.21Å; V305-L309 PolarHBondContact O-N 3.29Å; L309-F312 WeakPolarHBondContact O-CB 3.43Å; L309-F312 PolarHBondContact O-N 2.79Å; L309-S313 PolarHBondContact O-N 3.16Å; L309-S313 VanDerWaalsContact O-N 3.08Å; L309-L399 HydrophobicContact CD2-CD2 3.77Å; L309-M409 HydrophobicContact CB-CE 4.29Å; L309-M409 HydrophobicContact CD1-CE 4.27Å; L309-M409 HydrophobicContact CD1-CG 3.89Å; L309-M409 HydrophobicContact CD1-SD 4.39Å; L309-M409 HydrophobicContact CD2-CE 3.74Å; L309-M409 HydrophobicContact CD2-CG 4.27Å; L309-M409 HydrophobicContact CD2-SD 3.73Å; L309-M409 HydrophobicContact CG-CE 4.31Å; L309-V412 HydrophobicContact CD1-CG1 4.14Å; L309-L427 HydrophobicContact CB-CD2 4Å
310S85.6Confident86.2Confident8 Ų811 Ų116%0.0566%0.063CC..Hα-helixtrans-71.5-38.3175.4-580000111.5S306 W307 M308 F312 S313 A314S306-S310 WeakPolarHBondContact O-CB 3.5Å; S306-S310 PolarHBondContact O-N 2.81Å; S306-S310 PolarHBondContact O-OG 3.1Å; W307-S310 PolarHBondContact O-N 3.06Å; M308-S310 VanDerWaalsContact C-N 3.34Å; M308-S310 PolarHBondContact O-N 3.3Å; S310-F312 VanDerWaalsContact C-N 3.33Å; S310-S313 PolarHBondContact O-N 3.44Å; S310-A314 PolarHBondContact O-N 2.75Å; S310-A314 VanDerWaalsContact O-N 3.09Å
311L90.9Very high86.2Confident0 Ų014.2 Ų14.20%08%0.08CC..Hα-helixtrans-62.7-41.1170.9-179.961.9000111L250 V253 V278 L281 V282 W307 M308 S313 A314 V315 M395L250-L311 HydrophobicContact CD2-CB 4.38Å; V253-L311 HydrophobicContact CG1-CD1 3.89Å; V278-L311 HydrophobicContact CG1-CD1 4.48Å; V278-L311 HydrophobicContact CG1-CD2 4.42Å; L281-L311 HydrophobicContact CD2-CD2 4.25Å; V282-L311 HydrophobicContact CG2-CD2 3.91Å; W307-L311 WeakPolarHBondContact O-CB 3.5Å; W307-L311 PolarHBondContact O-N 3.42Å; M308-L311 PolarHBondContact O-N 3.22Å; L311-S313 VanDerWaalsContact C-N 3.3Å; L311-S313 PolarHBondContact O-N 3.36Å; L311-A314 PolarHBondContact O-N 2.88Å; L311-A314 VanDerWaalsContact O-N 3.16Å; L311-V315 HydrophobicContact CD1-CG2 4.44Å; L311-V315 WeakPolarHBondContact O-CG2 3.39Å; L311-V315 PolarHBondContact O-N 2.93Å; L311-M395 HydrophobicContact CB-CE 4.37Å; L311-M395 HydrophobicContact CD2-CE 4.5Å; L311-M395 HydrophobicContact CG-CE 4.25Å
312F90.7Very high86.5Confident1 Ų112.1 Ų12.10%0.0047%0.07CC..Hα-helixtrans-57.8-45.1175.8176.3-115.8000111M308 L309 S310 A314 V315 V316 L392 M395 L399 M409 I430 L434M308-F312 PolarHBondContact O-N 3.27Å; L309-F312 WeakPolarHBondContact O-CB 3.43Å; L309-F312 PolarHBondContact O-N 2.79Å; S310-F312 VanDerWaalsContact C-N 3.33Å; F312-A314 PolarHBondContact O-N 2.76Å; F312-V315 PolarHBondContact O-N 2.9Å; F312-V316 HydrophobicContact CD2-CG2 4.3Å; F312-V316 HydrophobicContact CE1-CG2 4.13Å; F312-V316 HydrophobicContact CE2-CG2 3.96Å; F312-V316 HydrophobicContact CZ-CG2 3.84Å; F312-V316 WeakPolarHBondContact O-CG2 3.5Å; F312-V316 PolarHBondContact O-N 2.93Å; F312-L392 HydrophobicContact CD2-CD1 4.23Å; F312-L392 HydrophobicContact CE2-CD1 3.6Å; F312-L392 HydrophobicContact CZ-CD1 4.37Å; F312-M395 VanDerWaalsContact CA-CE 3.42Å; F312-M395 HydrophobicContact CB-CE 3.5Å; F312-M395 VanDerWaalsContact CB-CE 3.5Å; F312-M395 HydrophobicContact CB-SD 4.08Å; F312-M395 HydrophobicContact CD2-CB 3.6Å; F312-M395 HydrophobicContact CD2-CE 4.3Å; F312-M395 HydrophobicContact CD2-CG 4.36Å; F312-M395 HydrophobicContact CD2-SD 3.9Å; F312-M395 HydrophobicContact CE2-CB 4.08Å; F312-M395 HydrophobicContact CG-CE 4.38Å; F312-M395 HydrophobicContact CG-SD 4.49Å; F312-L399 HydrophobicContact CD1-CD1 4.01Å; F312-L399 HydrophobicContact CD2-CD1 4.23Å; F312-L399 HydrophobicContact CE1-CD1 3.78Å; F312-L399 HydrophobicContact CE2-CD1 3.96Å; F312-L399 HydrophobicContact CG-CD1 4.26Å; F312-L399 HydrophobicContact CZ-CD1 3.75Å; F312-M409 HydrophobicContact CD1-CE 4.23Å; F312-I430 HydrophobicContact CD1-CD1 3.27Å; F312-I430 HydrophobicContact CD1-CG1 4.33Å; F312-I430 HydrophobicContact CE1-CD1 3.54Å; F312-I430 HydrophobicContact CE1-CG1 4.17Å; F312-I430 HydrophobicContact CG-CD1 4.36Å; F312-L434 HydrophobicContact CZ-CD2 4.35Å
313S86Confident87.1Confident0 Ų08.6 Ų8.60%05%0.048CC..Hα-helixtrans-60.3-45.9175.3-1710000112.5L309 S310 L311 V315 V316 I317 L426L309-S313 PolarHBondContact O-N 3.16Å; L309-S313 VanDerWaalsContact O-N 3.08Å; S310-S313 PolarHBondContact O-N 3.44Å; L311-S313 VanDerWaalsContact C-N 3.3Å; L311-S313 PolarHBondContact O-N 3.36Å; S313-V315 VanDerWaalsContact C-N 3.31Å; S313-V315 PolarHBondContact O-N 3.2Å; S313-V316 PolarHBondContact O-N 2.92Å; S313-I317 VanDerWaalsContact O-CG1 3.3Å; S313-I317 WeakPolarHBondContact O-CG1 3.46Å; S313-I317 PolarHBondContact O-N 2.85Å; S313-L426 WeakPolarHBondContact CB-O 3.27Å; S313-L426 PolarHBondContact OG-O 3.4Å
314A87.1Confident87.3Confident4 Ų49.4 Ų9.43%0.0335%0.054CC..Hα-helixtrans-59.7-42177.200000111.9F257 S310 L311 F312 I317 A318F257-A314 HydrophobicContact CD2-CB 4.18Å; F257-A314 HydrophobicContact CE2-CB 3.99Å; S310-A314 PolarHBondContact O-N 2.75Å; S310-A314 VanDerWaalsContact O-N 3.09Å; L311-A314 PolarHBondContact O-N 2.88Å; L311-A314 VanDerWaalsContact O-N 3.16Å; F312-A314 PolarHBondContact O-N 2.76Å; A314-I317 PolarHBondContact O-N 3.21Å; A314-A318 WeakPolarHBondContact O-CB 3.33Å; A314-A318 PolarHBondContact O-N 2.67Å
315V92Very high87.2Confident0 Ų011.1 Ų11.10%06%0.063CC..Hα-helixtrans-63.8-44.8175.6172.70000111.3F257 L311 F312 S313 I317 A318 V319 V391 L392 M395F257-V315 HydrophobicContact CE2-CG2 4.37Å; F257-V315 HydrophobicContact CZ-CG2 3.85Å; L311-V315 HydrophobicContact CD1-CG2 4.44Å; L311-V315 WeakPolarHBondContact O-CG2 3.39Å; L311-V315 PolarHBondContact O-N 2.93Å; F312-V315 PolarHBondContact O-N 2.9Å; S313-V315 VanDerWaalsContact C-N 3.31Å; S313-V315 PolarHBondContact O-N 3.2Å; V315-I317 VanDerWaalsContact C-N 3.3Å; V315-I317 PolarHBondContact O-N 3.35Å; V315-A318 PolarHBondContact O-N 2.87Å; V315-V319 HydrophobicContact CG1-CG2 4.09Å; V315-V319 WeakPolarHBondContact O-CB 3.44Å; V315-V319 VanDerWaalsContact O-CG2 3.25Å; V315-V319 WeakPolarHBondContact O-CG2 3.35Å; V315-V319 PolarHBondContact O-N 3.29Å; V315-V391 HydrophobicContact CG1-CB 4.47Å; V315-V391 HydrophobicContact CG1-CG1 4.19Å; V315-V391 HydrophobicContact CG2-CG1 4.05Å; V315-L392 HydrophobicContact CG1-CB 4.14Å; V315-L392 HydrophobicContact CG1-CD1 4.37Å; V315-M395 HydrophobicContact CB-SD 4.39Å; V315-M395 HydrophobicContact CG2-SD 4.17Å
316V90.6Very high87.4Confident0 Ų010.7 Ų10.70%06%0.06CC..Hα-helixtrans-59.1-43177.5169.70000111.2F312 S313 Q320 L392 R433 L434 V437F312-V316 HydrophobicContact CD2-CG2 4.3Å; F312-V316 HydrophobicContact CE1-CG2 4.13Å; F312-V316 HydrophobicContact CE2-CG2 3.96Å; F312-V316 HydrophobicContact CZ-CG2 3.84Å; F312-V316 WeakPolarHBondContact O-CG2 3.5Å; F312-V316 PolarHBondContact O-N 2.93Å; S313-V316 PolarHBondContact O-N 2.92Å; V316-Q320 WeakPolarHBondContact O-CB 3.49Å; V316-Q320 PolarHBondContact O-N 2.72Å; V316-L392 HydrophobicContact CG2-CD1 3.65Å; V316-R433 HydrophobicContact CG1-CB 3.97Å; V316-L434 HydrophobicContact CG1-CB 4.37Å; V316-L434 HydrophobicContact CG2-CD1 4.27Å; V316-V437 HydrophobicContact CG1-CG2 4.28Å
317I85.8Confident87.9Confident23 Ų2310.1 Ų10.112%0.1186%0.056CC..Hα-helixtrans-64.4-49177.5-65.1168.8000110.5S313 A314 V315 V319 Q320 D321 L426S313-I317 VanDerWaalsContact O-CG1 3.3Å; S313-I317 WeakPolarHBondContact O-CG1 3.46Å; S313-I317 PolarHBondContact O-N 2.85Å; A314-I317 PolarHBondContact O-N 3.21Å; V315-I317 VanDerWaalsContact C-N 3.3Å; V315-I317 PolarHBondContact O-N 3.35Å; I317-V319 PolarHBondContact O-N 2.89Å; I317-Q320 WeakPolarHBondContact O-CB 3.46Å; I317-Q320 PolarHBondContact O-N 3.21Å; I317-D321 PolarHBondContact O-N 3.32Å; I317-D321 VanDerWaalsContact O-N 3.16Å; I317-L426 HydrophobicContact CD1-CD2 3.57Å
318A87.8Confident87.6Confident2 Ų215.7 Ų15.72%0.0179%0.086CC..Hα-helixtrans-62.7-42-18000000112F257 A314 V315 Q320 D321 F322F257-A318 HydrophobicContact CB-CB 4.09Å; F257-A318 HydrophobicContact CD1-CB 3.36Å; F257-A318 HydrophobicContact CD2-CB 4.36Å; F257-A318 HydrophobicContact CE1-CB 3.76Å; F257-A318 HydrophobicContact CG-CB 3.71Å; F257-A318 HydrophobicContact CZ-CB 4.42Å; A314-A318 WeakPolarHBondContact O-CB 3.33Å; A314-A318 PolarHBondContact O-N 2.67Å; V315-A318 PolarHBondContact O-N 2.87Å; A318-Q320 VanDerWaalsContact C-N 3.34Å; A318-Q320 PolarHBondContact O-N 3.18Å; A318-D321 PolarHBondContact O-N 3.35Å; A318-F322 HydrophobicContact CB-CD2 4.29Å; A318-F322 HydrophobicContact CB-CE2 3.75Å; A318-F322 HydrophobicContact CB-CZ 4.28Å; A318-F322 WeakPolarHBondContact O-CB 3.36Å; A318-F322 WeakPolarHBondContact O-CD2 3.04Å; A318-F322 WeakPolarHBondContact O-CG 3.16Å; A318-F322 PolarHBondContact O-N 3.15Å
319V91.4Very high87.2Confident0 Ų020.3 Ų20.30%011%0.111CC..Hα-helixtrans-63-39.9176.8169.10000111.4V315 I317 D321 F322 I323 W388 L389 L392 V437V315-V319 HydrophobicContact CG1-CG2 4.09Å; V315-V319 WeakPolarHBondContact O-CB 3.44Å; V315-V319 VanDerWaalsContact O-CG2 3.25Å; V315-V319 WeakPolarHBondContact O-CG2 3.35Å; V315-V319 PolarHBondContact O-N 3.29Å; I317-V319 PolarHBondContact O-N 2.89Å; V319-D321 VanDerWaalsContact C-N 3.32Å; V319-D321 PolarHBondContact O-N 2.98Å; V319-F322 PolarHBondContact O-N 3.41Å; V319-I323 HydrophobicContact CG1-CD1 3.68Å; V319-I323 HydrophobicContact CG1-CG1 4.17Å; V319-I323 WeakPolarHBondContact O-CB 3.46Å; V319-I323 VanDerWaalsContact O-CG1 3.25Å; V319-I323 WeakPolarHBondContact O-CG1 3.31Å; V319-I323 PolarHBondContact O-N 2.75Å; V319-W388 HydrophobicContact CG2-CB 3.78Å; V319-L389 HydrophobicContact CG1-CD2 3.79Å; V319-L392 HydrophobicContact CB-CD2 4.47Å; V319-L392 HydrophobicContact CG1-CD2 4.04Å; V319-L392 HydrophobicContact CG2-CB 4.46Å; V319-L392 HydrophobicContact CG2-CD2 4.45Å; V319-V437 HydrophobicContact CG1-CG1 3.92Å
320Q88.4Confident87.2Confident24 Ų2422.3 Ų22.311%0.11213%0.127CC..Hα-helixtrans-57.3-46.6173.9179.4177.9-1.300111.5V316 I317 A318 S324 H436 V437 Y552V316-Q320 WeakPolarHBondContact O-CB 3.49Å; V316-Q320 PolarHBondContact O-N 2.72Å; I317-Q320 WeakPolarHBondContact O-CB 3.46Å; I317-Q320 PolarHBondContact O-N 3.21Å; A318-Q320 VanDerWaalsContact C-N 3.34Å; A318-Q320 PolarHBondContact O-N 3.18Å; Q320-S324 PolarHBondContact O-N 3.06Å; Q320-S324 PolarHBondContact O-OG 3.06Å; Q320-H436 VanDerWaalsContact CD-CD2 3.5Å; Q320-H436 PolarHBondContact NE2-CD2 3.44Å; Q320-H436 PolarHBondContact NE2-NE2 2.96Å; Q320-V437 HydrophobicContact CB-CG2 3.71Å; Q320-V437 HydrophobicContact CG-CG2 4.43Å; Q320-Y552 PolarHBondContact OE1-OH 2.81Å; Q320-Y552 VanDerWaalsContact OE1-OH 3.12Å
321D85.5Confident87Confident73 Ų7330.7 Ų30.739%0.3917%0.165SC..Hα-helixtrans-66.4-43.5178.4-67-21000111I317 A318 V319 S324 I325I317-D321 PolarHBondContact O-N 3.32Å; I317-D321 VanDerWaalsContact O-N 3.16Å; A318-D321 PolarHBondContact O-N 3.35Å; V319-D321 VanDerWaalsContact C-N 3.32Å; V319-D321 PolarHBondContact O-N 2.98Å; D321-S324 WeakPolarHBondContact O-CB 2.98Å; D321-S324 PolarHBondContact O-N 3.44Å; D321-I325 VanDerWaalsContact O-CG1 3.32Å; D321-I325 WeakPolarHBondContact O-CG1 3.45Å; D321-I325 PolarHBondContact O-N 3.43Å
322F89.2Confident86.4Confident1 Ų131.3 Ų31.30%0.00417%0.169CC..Hα-helixtrans-65.4-39.6179.2-63.4-39.5000113.3F257 C260 C261 A318 V319 S324 I325 C326 L386 W388F257-F322 HydrophobicContact CD1-CE2 4.35Å; F257-F322 HydrophobicContact CD1-CZ 4.39Å; C260-F322 HydrophobicContact CB-CE1 4.07Å; C260-F322 HydrophobicContact CB-CZ 3.81Å; C261-F322 HydrophobicContact CB-CE1 4.4Å; C261-F322 WeakPolarHBondContact SG-CE1 3.34Å; A318-F322 HydrophobicContact CB-CD2 4.29Å; A318-F322 HydrophobicContact CB-CE2 3.75Å; A318-F322 HydrophobicContact CB-CZ 4.28Å; A318-F322 WeakPolarHBondContact O-CB 3.36Å; A318-F322 WeakPolarHBondContact O-CD2 3.04Å; A318-F322 WeakPolarHBondContact O-CG 3.16Å; A318-F322 PolarHBondContact O-N 3.15Å; V319-F322 PolarHBondContact O-N 3.41Å; F322-S324 VanDerWaalsContact C-N 3.29Å; F322-S324 PolarHBondContact O-N 3.33Å; F322-I325 HydrophobicContact CD1-CD1 4.39Å; F322-I325 PolarHBondContact O-N 2.83Å; F322-C326 PolarHBondContact O-N 2.66Å; F322-C326 PolarHBondContact O-SG 3.43Å; F322-C326 VanDerWaalsContact O-SG 3.39Å; F322-L386 HydrophobicContact CB-CD1 3.58Å; F322-L386 HydrophobicContact CB-CD2 4.04Å; F322-L386 HydrophobicContact CB-CG 4.47Å; F322-L386 HydrophobicContact CD2-CD1 4.1Å; F322-L386 HydrophobicContact CG-CD1 4.05Å; F322-W388 HydrophobicContact CD2-CB 4.16Å; F322-W388 AromaticContact CD2-CD1 3.41Å; F322-W388 VanDerWaalsContact CD2-CD1 3.41Å; F322-W388 AromaticContact CD2-CG 3.83Å; F322-W388 HydrophobicContact CD2-CG 3.83Å; F322-W388 HydrophobicContact CE2-CB 4.39Å; F322-W388 AromaticContact CE2-CD1 3.22Å; F322-W388 HydrophobicContact CE2-CD2 4.04Å; F322-W388 AromaticContact CE2-CE2 3.88Å; F322-W388 AromaticContact CE2-CG 3.65Å; F322-W388 HydrophobicContact CE2-CG 3.65Å; F322-W388 AromaticContact CE2-NE1 3.37Å; F322-W388 AromaticContact CZ-NE1 3.81Å
323I89.8Confident85.1Confident1 Ų138.3 Ų38.31%0.00521%0.206CC..Hα-helixtrans-61-43.1174.3-69.8168.4000109.9V319 I325 C326 Y327 L383 L386 V437 A440 L441V319-I323 HydrophobicContact CG1-CD1 3.68Å; V319-I323 HydrophobicContact CG1-CG1 4.17Å; V319-I323 WeakPolarHBondContact O-CB 3.46Å; V319-I323 VanDerWaalsContact O-CG1 3.25Å; V319-I323 WeakPolarHBondContact O-CG1 3.31Å; V319-I323 PolarHBondContact O-N 2.75Å; I323-I325 VanDerWaalsContact C-N 3.32Å; I323-I325 PolarHBondContact O-N 3.1Å; I323-C326 WeakPolarHBondContact O-CB 3.31Å; I323-C326 PolarHBondContact O-N 3.06Å; I323-Y327 HydrophobicContact CG2-CD2 3.81Å; I323-Y327 HydrophobicContact CG2-CE2 3.56Å; I323-Y327 HydrophobicContact CG2-CG 4.48Å; I323-Y327 PolarHBondContact O-N 3.34Å; I323-L383 HydrophobicContact CB-CD2 4.47Å; I323-L383 HydrophobicContact CG1-CD2 3.88Å; I323-L383 HydrophobicContact CG2-CD2 4.37Å; I323-L386 HydrophobicContact CG1-CD2 3.85Å; I323-V437 HydrophobicContact CD1-CG1 3.92Å; I323-A440 HydrophobicContact CG2-CB 3.98Å; I323-L441 HydrophobicContact CD1-CD2 3.92Å
324S86.5Confident83.6Confident29 Ų2940.6 Ų40.620%0.20322%0.22CC..Hα-helixtrans-61.7-41.7176.9-56.90000111.4Q320 D321 F322 N328Q320-S324 PolarHBondContact O-N 3.06Å; Q320-S324 PolarHBondContact O-OG 3.06Å; D321-S324 WeakPolarHBondContact O-CB 2.98Å; D321-S324 PolarHBondContact O-N 3.44Å; F322-S324 VanDerWaalsContact C-N 3.29Å; F322-S324 PolarHBondContact O-N 3.33Å; S324-N328 WeakPolarHBondContact O-CB 3.4Å; S324-N328 PolarHBondContact O-N 3.12Å; S324-N328 PolarHBondContact O-ND2 3.41Å; S324-N328 VanDerWaalsContact O-ND2 3.14Å
325I82.6Confident81.6Confident36 Ų3642.4 Ų42.419%0.18524%0.239CC..Hα-helixtrans-64.7-45.3174.8-64.9164000111.1C261 P266 D321 F322 I323 Y327 N328 L329C261-I325 HydrophobicContact CB-CD1 4.33Å; P266-I325 HydrophobicContact CG-CG2 4.24Å; D321-I325 VanDerWaalsContact O-CG1 3.32Å; D321-I325 WeakPolarHBondContact O-CG1 3.45Å; D321-I325 PolarHBondContact O-N 3.43Å; F322-I325 HydrophobicContact CD1-CD1 4.39Å; F322-I325 PolarHBondContact O-N 2.83Å; I323-I325 VanDerWaalsContact C-N 3.32Å; I323-I325 PolarHBondContact O-N 3.1Å; I325-Y327 PolarHBondContact O-N 3.29Å; I325-N328 PolarHBondContact O-N 2.61Å; I325-L329 HydrophobicContact CG2-CD1 3.8Å; I325-L329 HydrophobicContact CG2-CG 4.36Å; I325-L329 WeakPolarHBondContact O-CB 3.17Å; I325-L329 VanDerWaalsContact O-CG 3.31Å; I325-L329 WeakPolarHBondContact O-CG 3.46Å; I325-L329 PolarHBondContact O-N 3.26Å
326C86.1Confident78.8Confident3 Ų347.6 Ų47.62%0.0227%0.273CS..Hα-helixtrans-52.9-51.8175.4-79.20000111.4P266 F322 I323 L329 A330 A382 L383P266-C326 HydrophobicContact CB-CB 4.4Å; P266-C326 WeakPolarHBondContact CB-SG 3.38Å; P266-C326 HydrophobicContact CG-CB 4.28Å; P266-C326 VanDerWaalsContact CG-SG 3.56Å; F322-C326 PolarHBondContact O-N 2.66Å; F322-C326 PolarHBondContact O-SG 3.43Å; F322-C326 VanDerWaalsContact O-SG 3.39Å; I323-C326 WeakPolarHBondContact O-CB 3.31Å; I323-C326 PolarHBondContact O-N 3.06Å; C326-L329 PolarHBondContact O-N 3.43Å; C326-A330 WeakPolarHBondContact O-CB 3.45Å; C326-A330 PolarHBondContact O-N 3.03Å; C326-A382 HydrophobicContact CB-CB 4.33Å; C326-A382 PolarHBondContact SG-O 3.2Å; C326-L383 HydrophobicContact CB-CD2 4.35Å
327Y88.8Confident76.2Confident1 Ų151.7 Ų51.70%0.00429%0.291CS..Hα-helixtrans-70.6-37.2-175.4-68.6-14.7000112.4I323 I325 L329 A330 E331 I332 V334 K379 A382 L383 A440I323-Y327 HydrophobicContact CG2-CD2 3.81Å; I323-Y327 HydrophobicContact CG2-CE2 3.56Å; I323-Y327 HydrophobicContact CG2-CG 4.48Å; I323-Y327 PolarHBondContact O-N 3.34Å; I325-Y327 PolarHBondContact O-N 3.29Å; Y327-L329 PolarHBondContact O-N 2.92Å; Y327-A330 CarbonylContact O-C 3.55Å; Y327-A330 PolarHBondContact O-N 3.04Å; Y327-E331 PolarHBondContact O-N 3.15Å; Y327-E331 VanDerWaalsContact O-N 3.1Å; Y327-I332 HydrophobicContact CD1-CD1 3.93Å; Y327-I332 HydrophobicContact CE1-CD1 4.32Å; Y327-I332 PolarHBondContact O-N 3.14Å; Y327-V334 HydrophobicContact CD2-CB 4.49Å; Y327-V334 HydrophobicContact CD2-CG1 4.08Å; Y327-V334 HydrophobicContact CD2-CG2 3.56Å; Y327-V334 HydrophobicContact CE2-CG1 4.32Å; Y327-V334 HydrophobicContact CG-CG2 4.02Å; Y327-K379 HydrophobicContact CE1-CB 4.07Å; Y327-K379 HydrophobicContact CE1-CG 4.08Å; Y327-A382 HydrophobicContact CD1-CB 4.08Å; Y327-A382 HydrophobicContact CE1-CB 4.23Å; Y327-L383 HydrophobicContact CE1-CD1 4.28Å; Y327-L383 HydrophobicContact CE1-CD2 4.16Å; Y327-L383 HydrophobicContact CE1-CG 3.99Å; Y327-L383 WeakPolarHBondContact OH-CD1 3.42Å; Y327-A440 WeakPolarHBondContact CE2-O 3.31Å; Y327-A440 PolarHBondContact OH-O 3.11Å
328N83.9Confident73.5Confident119 Ų11956 Ų5664%0.63632%0.321SS*.Hα-helixtrans-62.6-40.9172.9-71.5-21.7000112.3S324 I325 E331S324-N328 WeakPolarHBondContact O-CB 3.4Å; S324-N328 PolarHBondContact O-N 3.12Å; S324-N328 PolarHBondContact O-ND2 3.41Å; S324-N328 VanDerWaalsContact O-ND2 3.14Å; I325-N328 PolarHBondContact O-N 2.61Å; N328-E331 PolarHBondContact O-N 3.46Å
329L80Confident70.6Confident100 Ų10060.2 Ų60.252%0.52435%0.348SS..Hα-helixtrans-71.9-29.8177.7-71.8170.5000113.1R264 P266 I325 C326 Y327 E331R264-L329 WeakPolarHBondContact O-CD1 3.48Å; P266-L329 VanDerWaalsContact CD-CD1 3.46Å; P266-L329 HydrophobicContact CG-CD1 3.72Å; I325-L329 HydrophobicContact CG2-CD1 3.8Å; I325-L329 HydrophobicContact CG2-CG 4.36Å; I325-L329 WeakPolarHBondContact O-CB 3.17Å; I325-L329 VanDerWaalsContact O-CG 3.31Å; I325-L329 WeakPolarHBondContact O-CG 3.46Å; I325-L329 PolarHBondContact O-N 3.26Å; C326-L329 PolarHBondContact O-N 3.43Å; Y327-L329 PolarHBondContact O-N 2.92Å; L329-E331 VanDerWaalsContact C-N 3.25Å
330A83.2Confident67.5Low44 Ų4466 Ų6636%0.36437%0.373SS..THydrogen-bonded Turntrans-85.33.9175.200000113C326 Y327 I332 A382C326-A330 WeakPolarHBondContact O-CB 3.45Å; C326-A330 PolarHBondContact O-N 3.03Å; Y327-A330 CarbonylContact O-C 3.55Å; Y327-A330 PolarHBondContact O-N 3.04Å; A330-I332 HydrophobicContact CB-CD1 3.76Å; A330-I332 HydrophobicContact CB-CG1 3.81Å; A330-I332 PolarHBondContact O-N 2.78Å; A330-I332 VanDerWaalsContact O-N 3.17Å; A330-A382 HydrophobicContact CB-CB 3.87Å
331E81.6Confident64.7Low183 Ų18371.5 Ų71.586%0.85541%0.408SS*.THydrogen-bonded Turntrans53.631.4-176.6-57.9-178.2173.200113.4Y327 N328 L329 D333Y327-E331 PolarHBondContact O-N 3.15Å; Y327-E331 VanDerWaalsContact O-N 3.1Å; N328-E331 PolarHBondContact O-N 3.46Å; L329-E331 VanDerWaalsContact C-N 3.25Å; E331-D333 PolarHBondContact O-N 2.91Å
332I77.7Confident61.9Low13 Ų1374.7 Ų74.77%0.06742%0.42CS..  trans-84.9113.4179.1-60.4173.2000108.1Y327 A330 V334 Q378 K379 A382Y327-I332 HydrophobicContact CD1-CD1 3.93Å; Y327-I332 HydrophobicContact CE1-CD1 4.32Å; Y327-I332 PolarHBondContact O-N 3.14Å; A330-I332 HydrophobicContact CB-CD1 3.76Å; A330-I332 HydrophobicContact CB-CG1 3.81Å; A330-I332 PolarHBondContact O-N 2.78Å; A330-I332 VanDerWaalsContact O-N 3.17Å; I332-V334 VanDerWaalsContact C-N 3.25Å; I332-V334 WeakPolarHBondContact O-CG2 3.49Å; I332-V334 PolarHBondContact O-N 3.41Å; I332-Q378 HydrophobicContact CD1-CB 4.13Å; I332-K379 HydrophobicContact CD1-CG 4.08Å; I332-K379 HydrophobicContact CG2-CG 4.22Å; I332-A382 HydrophobicContact CD1-CB 4.15Å
333D62.9Low59Low149 Ų14982 Ų8280%0.79746%0.459SS*.  trans-7083.3173.5-17114.4000110.4E331 G335E331-D333 PolarHBondContact O-N 2.91Å; D333-G335 PolarHBondContact O-N 2.98Å; D333-G335 PolarHBondContact OD1-N 3.25Å
334V54.1Low56.2Low47 Ų4786.5 Ų86.529%0.28550%0.497SS..  trans-72.790158.2-122.70000104.7Y327 I332Y327-V334 HydrophobicContact CD2-CB 4.49Å; Y327-V334 HydrophobicContact CD2-CG1 4.08Å; Y327-V334 HydrophobicContact CD2-CG2 3.56Å; Y327-V334 HydrophobicContact CE2-CG1 4.32Å; Y327-V334 HydrophobicContact CG-CG2 4.02Å; I332-V334 VanDerWaalsContact C-N 3.25Å; I332-V334 WeakPolarHBondContact O-CG2 3.49Å; I332-V334 PolarHBondContact O-N 3.41Å
335G46.9Very low53.2Low42 Ų4291.4 Ų91.443%0.43353%0.53SS..  trans-42.1156.3177.800000111.8D333 F337D333-G335 PolarHBondContact O-N 2.98Å; D333-G335 PolarHBondContact OD1-N 3.25Å; G335-F337 PolarHBondContact O-N 2.85Å
336P33.2Very low50.7Low109 Ų10999.1 Ų99.171%0.70856%0.562SS**  trans-47.9118.3-160.321.2-33.4000110.8P338P336-P338 WeakPolarHBondContact O-CA 3.3Å
337F34.3Very low47.8Very low86 Ų86107.4 Ų107.438%0.37760%0.601SS.*SBendtrans-43.4123.7164-82-63.7000106.9G335 H436G335-F337 PolarHBondContact O-N 2.85Å; F337-H436 AromaticContact CD1-CE1 2.93Å; F337-H436 WeakPolarHBondContact CD1-CE1 3.38Å; F337-H436 AromaticContact CD1-ND1 3.76Å; F337-H436 AromaticContact CD1-NE2 3.46Å; F337-H436 WeakPolarHBondContact CD1-NE2 3.38Å; F337-H436 AromaticContact CE1-CD2 3.86Å; F337-H436 AromaticContact CE1-CE1 3.03Å; F337-H436 WeakPolarHBondContact CE1-CE1 3.45Å; F337-H436 AromaticContact CE1-ND1 3.85Å; F337-H436 AromaticContact CE1-NE2 3.03Å; F337-H436 WeakPolarHBondContact CE1-NE2 3.44Å; F337-H436 AromaticContact CG-CE1 3.61Å; F337-H436 AromaticContact CZ-CE1 3.79Å; F337-H436 AromaticContact CZ-NE2 3.38Å; F337-H436 WeakPolarHBondContact CZ-NE2 3.16Å
338P29.1Very low45.2Very low115 Ų115113.6 Ų113.675%0.74764%0.641SS**  trans-48.8118.6-151.410.3-26.6000110P336P336-P338 WeakPolarHBondContact O-CA 3.3Å
339P27.3Very low42.6Very low90 Ų90116.5 Ų116.558%0.58465%0.651SS**  trans-61.3146-177.124.4-31.2000108.2T341P339-T341 PolarHBondContact O-N 3.29Å
340K25.9Very low40.2Very low121 Ų121114.9 Ų114.953%0.52666%0.658SS.*  trans-43.3106.6172.7-65.5172.9179175.30108.6E342 T549K340-E342 PolarHBondContact O-N 3.33Å; K340-T549 HydrophobicContact CG-CG2 4.43Å
341T29.7Very low37.7Very low139 Ų139119.3 Ų119.385%0.85368%0.68SS**  trans-75.673.6164.622.30000107.4P339P339-T341 PolarHBondContact O-N 3.29Å
342E27.3Very low35.6Very low140 Ų140117.7 Ų117.765%0.65468%0.678SS**  trans-70.1118.3151.4-75.1179.8177.900106.8K340K340-E342 PolarHBondContact O-N 3.33Å
343N27.9Very low33.2Very low154 Ų154127 Ų12782%0.82472%0.718SS**  trans71.784.6162.7-53.2-30.3000118
344A30.3Very low32.4Very low96 Ų96125.1 Ų125.179%0.79371%0.714SS**  trans-148.962.5146.200000111.2
345C23.7Very low31.7Very low133 Ų133128.5 Ų128.590%0.89974%0.737SS**  trans-9482.3157.4-160.50000107.3
346K31Very low31.2Very low197 Ų197132.5 Ų132.586%0.85776%0.756SS**  trans-144.1113.3158.6-72.5-165.9179.6179.60107.9
347Q25.6Very low31.6Very low178 Ų178136.7 Ų136.783%0.83277%0.765SS**  trans-58.7141.2167.6-61.7-177.4-53.100109.4
348P33Very low31.6Very low130 Ų130141.1 Ų141.184%0.84479%0.788SS**  trans-99107.4159.515.33.4000109
349E29.7Very low31.9Very low181 Ų181141.6 Ų141.685%0.84679%0.79SS**  trans-71.3130.3158.5-71.2-179.115300109.2
350G29.1Very low32.2Very low65 Ų65146.5 Ų146.567%0.6781%0.805SS**  trans57.4114.3151.200000119.3
351T32.3Very low32.3Very low137 Ų137152.7 Ų152.784%0.8483%0.826SS**  169.1133.2101290000112.3
352D35.6Very low32.4Very low150 Ų150149.9 Ų149.980%0.80282%0.817SS**  trans54.5112.4149.6-60.2-18.9000122.6
353F28.9Very low32.5Very low208 Ų208151.3 Ų151.391%0.91283%0.829SS**PPolyproline II helixtrans-75.4143.3163.7-75.7-95.9000112.1
354P44.8Very low32.8Very low110 Ų110149.9 Ų149.971%0.71482%0.821SS**PPolyproline II helixtrans-97.1157.6145.725.2-9.9000111.4
355P39.2Very low33Very low117 Ų117147.8 Ų147.876%0.7681%0.809SS**PPolyproline II helixtrans-83.8164.9-167.825.8-15.4000113.5
356P37.4Very low33.5Very low127 Ų127149.3 Ų149.383%0.82580%0.803SS**PPolyproline II helixtrans-81.6130.6-167.431.8-32000112.5
357E41.1Very low33.7Very low196 Ų196147.7 Ų147.792%0.91680%0.798SS**PPolyproline II helixtrans-82.3140.8166.7-74-177.2159.700111
358E35.5Very low34.7Very low180 Ų180142.9 Ų142.984%0.84178%0.784SS**PPolyproline II helixtrans-67.4157.5-173.8-76.6-178.1162.500114.2E360E358-E360 PolarHBondContact O-N 3.26Å
359P34Very low35.5Very low124 Ų124143 Ų14381%0.80577%0.774SS**PPolyproline II helixtrans-80.6120.3-165.232-32.1000112.1R361P359-R361 PolarHBondContact O-N 2.96Å
360E34.2Very low36.8Very low193 Ų193140.1 Ų140.190%0.90276%0.764SS**PPolyproline II helixtrans-70.5126.8164.7-74.6-166.5153.900110.5E358 A362E358-E360 PolarHBondContact O-N 3.26Å; E360-A362 PolarHBondContact O-N 2.8Å
361R28.4Very low38.3Very low251 Ų251140.3 Ų140.395%0.94776%0.755SS**  trans-64.2112.5173-68.3173.4177.8174.7-0.9109.4P359P359-R361 PolarHBondContact O-N 2.96Å
362A31.7Very low40.5Very low81 Ų81136 Ų13667%0.66973%0.727SS**  trans-120.4118.8165.500000109.9E360 D364E360-A362 PolarHBondContact O-N 2.8Å; A362-D364 PolarHBondContact O-N 2.76Å; A362-D364 VanDerWaalsContact O-N 3.11Å
363N29.5Very low43Very low169 Ų169130 Ų13090%0.90470%0.696SS**  trans-80.853.1-179.5-98.2-14.6000111.6
364D34.2Very low45.8Very low124 Ų124123 Ų12366%0.66367%0.672SS**  trans-123.231.7-175.2-66-30.4000113.8A362 Q366A362-D364 PolarHBondContact O-N 2.76Å; A362-D364 VanDerWaalsContact O-N 3.11Å; D364-Q366 PolarHBondContact O-N 3.05Å
365G34Very low47.9Very low52 Ų52120.5 Ų120.554%0.53666%0.655SS.*Hα-helixtrans-76.6-15.8-173.100000116.8
366Q34.9Very low50.3Low165 Ų165114.9 Ų114.977%0.77162%0.619SS**Hα-helixtrans-94.5-21.4-172.4-81.2176.6-58.500114.8D364D364-Q366 PolarHBondContact O-N 3.05Å
367E34.6Very low52.9Low164 Ų164111.2 Ų111.277%0.76659%0.591SS**Hα-helixtrans-80.1-33.3-178.6-71.6-173.4164.600112.7S371E367-S371 PolarHBondContact O-N 2.98Å
368S45.8Very low55.3Low77 Ų77106.6 Ų106.654%0.53857%0.57SS.*Hα-helixtrans-71.1-38.5-179.981.20000113.1S371 D372S368-S371 PolarHBondContact O-N 3.42Å; S368-S371 PolarHBondContact O-OG 2.95Å; S368-D372 PolarHBondContact O-N 3.23Å
369E50.1Low58.1Low132 Ų13299.5 Ų99.562%0.61754%0.536SS*.Hα-helixtrans-68.9-37.9-179.6-71-169.2156.400112.4S371 D372 V373E369-S371 VanDerWaalsContact C-N 3.34Å; E369-S371 PolarHBondContact O-N 3.29Å; E369-D372 PolarHBondContact O-N 3.29Å; E369-V373 PolarHBondContact O-N 2.86Å
370N56.9Low61Low121 Ų12193.6 Ų93.665%0.64750%0.498SS*.Hα-helixtrans-68-33.3177.4-81-15.5000112.5D372 S374N370-D372 VanDerWaalsContact C-N 3.34Å; N370-S374 PolarHBondContact O-N 3.21Å
371S61.8Low63.7Low69 Ų6986 Ų8648%0.48347%0.471SS..Hα-helixtrans-64.1-39.1176.9750000112.3E367 S368 E369 S374 V375E367-S371 PolarHBondContact O-N 2.98Å; S368-S371 PolarHBondContact O-N 3.42Å; S368-S371 PolarHBondContact O-OG 2.95Å; E369-S371 VanDerWaalsContact C-N 3.34Å; E369-S371 PolarHBondContact O-N 3.29Å; S371-S374 PolarHBondContact O-N 3.49Å; S371-V375 WeakPolarHBondContact O-CG2 3.48Å; S371-V375 PolarHBondContact O-N 3.09Å; S371-V375 VanDerWaalsContact O-N 3.1Å
372D78.5Confident66.7Low47 Ų4775 Ų7525%0.25143%0.434SS..Hα-helixtrans-72.4-38.3-176.8-167.921.3000112.6S368 E369 N370 S374 T376 K449S368-D372 PolarHBondContact O-N 3.23Å; E369-D372 PolarHBondContact O-N 3.29Å; N370-D372 VanDerWaalsContact C-N 3.34Å; D372-S374 VanDerWaalsContact C-N 3.34Å; D372-T376 PolarHBondContact O-N 3.48Å; D372-T376 PolarHBondContact O-OG1 2.87Å; D372-K449 IonicContact OD2-NZ 3.78Å; D372-K449 PolarHBondContact OD2-NZ 3.4Å
373V87Confident69.6Low24 Ų2471.1 Ų71.115%0.14540%0.402CS..Hα-helixtrans-62.8-42.7172.7175.80000110.8E369 T376 I377 K449 V450 A453E369-V373 PolarHBondContact O-N 2.86Å; V373-T376 PolarHBondContact O-N 2.81Å; V373-I377 HydrophobicContact CG1-CD1 3.88Å; V373-I377 WeakPolarHBondContact O-CG1 3.4Å; V373-I377 PolarHBondContact O-N 2.83Å; V373-K449 HydrophobicContact CG2-CB 4.02Å; V373-V450 HydrophobicContact CG1-CG2 4.27Å; V373-A453 HydrophobicContact CG1-CB 4.08Å
374S87.3Confident72.5Confident59 Ų5965.3 Ų65.341%0.41337%0.369SS..Hα-helixtrans-62.5-46.5179.4-172.10000112.1N370 S371 D372 T376 I377 Q378N370-S374 PolarHBondContact O-N 3.21Å; S371-S374 PolarHBondContact O-N 3.49Å; D372-S374 VanDerWaalsContact C-N 3.34Å; S374-T376 VanDerWaalsContact C-N 3.3Å; S374-T376 PolarHBondContact O-N 3.39Å; S374-I377 PolarHBondContact O-N 3.24Å; S374-Q378 WeakPolarHBondContact O-CG 3.28Å; S374-Q378 PolarHBondContact O-N 3.19Å
375V89.2Confident74.9Confident58 Ų5868.1 Ų68.135%0.35237%0.371SS..Hα-helixtrans-61.2-40.6176.3173.20000111.2S371 I377 Q378 K379S371-V375 WeakPolarHBondContact O-CG2 3.48Å; S371-V375 PolarHBondContact O-N 3.09Å; S371-V375 VanDerWaalsContact O-N 3.1Å; V375-I377 PolarHBondContact O-N 2.63Å; V375-Q378 WeakPolarHBondContact O-CB 3.46Å; V375-Q378 PolarHBondContact O-N 3.19Å; V375-K379 PolarHBondContact O-N 3.01Å
376T91.2Very high77.6Confident0 Ų065.7 Ų65.70%035%0.346CS..Hα-helixtrans-64-42176.9-56.50000111.8D372 V373 S374 Q378 K379 L380 P442 E446 V450D372-T376 PolarHBondContact O-N 3.48Å; D372-T376 PolarHBondContact O-OG1 2.87Å; V373-T376 PolarHBondContact O-N 2.81Å; S374-T376 VanDerWaalsContact C-N 3.3Å; S374-T376 PolarHBondContact O-N 3.39Å; T376-Q378 VanDerWaalsContact C-N 3.32Å; T376-Q378 PolarHBondContact O-N 2.95Å; T376-K379 WeakPolarHBondContact O-CB 3.45Å; T376-K379 PolarHBondContact O-N 2.94Å; T376-L380 WeakPolarHBondContact O-CG 3.33Å; T376-L380 PolarHBondContact O-N 3.21Å; T376-P442 HydrophobicContact CG2-CB 3.98Å; T376-P442 HydrophobicContact CG2-CG 4.38Å; T376-E446 HydrophobicContact CG2-CB 3.8Å; T376-V450 HydrophobicContact CG2-CG2 3.45Å; T376-V450 VanDerWaalsContact CG2-CG2 3.45Å
377I92.2Very high80.3Confident49 Ų4961.3 Ų61.325%0.25132%0.322SS..Hα-helixtrans-63.7-38.8175.1-69.3167.9000110.7V373 S374 V375 L380 G381 V450 P457V373-I377 HydrophobicContact CG1-CD1 3.88Å; V373-I377 WeakPolarHBondContact O-CG1 3.4Å; V373-I377 PolarHBondContact O-N 2.83Å; S374-I377 PolarHBondContact O-N 3.24Å; V375-I377 PolarHBondContact O-N 2.63Å; I377-L380 PolarHBondContact O-N 3.37Å; I377-G381 PolarHBondContact O-N 3.06Å; I377-V450 HydrophobicContact CG1-CG1 4.09Å; I377-V450 HydrophobicContact CG1-CG2 4.15Å; I377-P457 HydrophobicContact CD1-CG 4.18Å; I377-P457 HydrophobicContact CG1-CG 4.38Å; I377-P457 HydrophobicContact CG2-CG 4.16Å
378Q91.2Very high83.1Confident100 Ų10053.6 Ų53.647%0.46729%0.286SS..Hα-helixtrans-62.6-43.8173.7-71175-3.200111.9I332 S374 V375 T376 L380 G381 A382I332-Q378 HydrophobicContact CD1-CB 4.13Å; S374-Q378 WeakPolarHBondContact O-CG 3.28Å; S374-Q378 PolarHBondContact O-N 3.19Å; V375-Q378 WeakPolarHBondContact O-CB 3.46Å; V375-Q378 PolarHBondContact O-N 3.19Å; T376-Q378 VanDerWaalsContact C-N 3.32Å; T376-Q378 PolarHBondContact O-N 2.95Å; Q378-L380 VanDerWaalsContact C-N 3.34Å; Q378-L380 PolarHBondContact O-N 3.38Å; Q378-G381 PolarHBondContact O-N 3.47Å; Q378-A382 WeakPolarHBondContact O-CB 3.4Å; Q378-A382 PolarHBondContact O-N 3.49Å
379K93.6Very high85.4Confident30 Ų3049.9 Ų49.913%0.1326%0.26CS..Hα-helixtrans-58.3-45.6173.1-72.8179.6-176.9174.30111.4Y327 I332 V375 T376 A382 L383 P442 E446Y327-K379 HydrophobicContact CE1-CB 4.07Å; Y327-K379 HydrophobicContact CE1-CG 4.08Å; I332-K379 HydrophobicContact CD1-CG 4.08Å; I332-K379 HydrophobicContact CG2-CG 4.22Å; V375-K379 PolarHBondContact O-N 3.01Å; T376-K379 WeakPolarHBondContact O-CB 3.45Å; T376-K379 PolarHBondContact O-N 2.94Å; K379-A382 PolarHBondContact O-N 2.88Å; K379-L383 VanDerWaalsContact O-CG 3.25Å; K379-L383 WeakPolarHBondContact O-CG 3.4Å; K379-L383 PolarHBondContact O-N 3.3Å; K379-L383 VanDerWaalsContact O-N 3.15Å; K379-P442 HydrophobicContact CB-CG 3.94Å; K379-P442 HydrophobicContact CD-CG 4.26Å; K379-E446 IonicContact NZ-OE1 2.56Å; K379-E446 PolarHBondContact NZ-OE1 3.44Å; K379-E446 IonicContact NZ-OE2 2.8Å
380L94.4Very high87.5Confident1 Ų144.7 Ų44.71%0.00524%0.236CC..Hα-helixtrans-62.9-44.1177.1-71.8171.9000111.6T376 I377 Q378 A382 L383 E384 P442 L447 V450 L505 F509 I512T376-L380 WeakPolarHBondContact O-CG 3.33Å; T376-L380 PolarHBondContact O-N 3.21Å; I377-L380 PolarHBondContact O-N 3.37Å; Q378-L380 VanDerWaalsContact C-N 3.34Å; Q378-L380 PolarHBondContact O-N 3.38Å; L380-A382 VanDerWaalsContact C-N 3.33Å; L380-A382 PolarHBondContact O-N 2.9Å; L380-L383 CarbonylContact O-C 3.52Å; L380-L383 PolarHBondContact O-N 3.27Å; L380-L383 VanDerWaalsContact O-N 3.1Å; L380-E384 PolarHBondContact O-N 3.49Å; L380-P442 HydrophobicContact CD2-CG 4.14Å; L380-P442 HydrophobicContact CG-CG 4.3Å; L380-L447 HydrophobicContact CD2-CD2 4.38Å; L380-V450 HydrophobicContact CD1-CG1 4.38Å; L380-L505 HydrophobicContact CB-CD1 3.67Å; L380-F509 HydrophobicContact CD1-CD2 4.31Å; L380-I512 HydrophobicContact CD2-CD1 3.6Å
381G91.9Very high89.4Confident32 Ų3239 Ų3933%0.3321%0.205SC..Hα-helixtrans-63.5-36.2176.500000113I377 Q378 L383 E384I377-G381 PolarHBondContact O-N 3.06Å; Q378-G381 PolarHBondContact O-N 3.47Å; G381-L383 VanDerWaalsContact C-N 3.26Å; G381-L383 PolarHBondContact O-N 2.96Å; G381-E384 WeakPolarHBondContact O-CG 3.34Å
382A90.2Very high91Very high21 Ų2135.7 Ų35.717%0.17418%0.182CC..Hα-helixtrans-67-28.7173.600000112.5C326 Y327 A330 I332 Q378 K379 L380C326-A382 HydrophobicContact CB-CB 4.33Å; C326-A382 PolarHBondContact SG-O 3.2Å; Y327-A382 HydrophobicContact CD1-CB 4.08Å; Y327-A382 HydrophobicContact CE1-CB 4.23Å; A330-A382 HydrophobicContact CB-CB 3.87Å; I332-A382 HydrophobicContact CD1-CB 4.15Å; Q378-A382 WeakPolarHBondContact O-CB 3.4Å; Q378-A382 PolarHBondContact O-N 3.49Å; K379-A382 PolarHBondContact O-N 2.88Å; L380-A382 VanDerWaalsContact C-N 3.33Å; L380-A382 PolarHBondContact O-N 2.9Å
383L93.1Very high91.8Very high0 Ų033.4 Ų33.40%017%0.17CC..Hα-helixtrans-96.8-17.2-177.3-65.5177.4000114.3I323 C326 Y327 K379 L380 G381 R385 L386 L389 L441 I512I323-L383 HydrophobicContact CB-CD2 4.47Å; I323-L383 HydrophobicContact CG1-CD2 3.88Å; I323-L383 HydrophobicContact CG2-CD2 4.37Å; C326-L383 HydrophobicContact CB-CD2 4.35Å; Y327-L383 HydrophobicContact CE1-CD1 4.28Å; Y327-L383 HydrophobicContact CE1-CD2 4.16Å; Y327-L383 HydrophobicContact CE1-CG 3.99Å; Y327-L383 WeakPolarHBondContact OH-CD1 3.42Å; K379-L383 VanDerWaalsContact O-CG 3.25Å; K379-L383 WeakPolarHBondContact O-CG 3.4Å; K379-L383 PolarHBondContact O-N 3.3Å; K379-L383 VanDerWaalsContact O-N 3.15Å; L380-L383 CarbonylContact O-C 3.52Å; L380-L383 PolarHBondContact O-N 3.27Å; L380-L383 VanDerWaalsContact O-N 3.1Å; G381-L383 VanDerWaalsContact C-N 3.26Å; G381-L383 PolarHBondContact O-N 2.96Å; L383-R385 PolarHBondContact O-N 2.85Å; L383-R385 VanDerWaalsContact O-N 3.09Å; L383-L386 HydrophobicContact CD2-CD2 4.04Å; L383-L386 WeakPolarHBondContact O-CB 3.22Å; L383-L386 PolarHBondContact O-N 3.47Å; L383-L389 HydrophobicContact CB-CD1 4.24Å; L383-L441 HydrophobicContact CD1-CD2 3.67Å; L383-I512 HydrophobicContact CD1-CD1 3.97Å
384E90.9Very high92.2Very high46 Ų4632.3 Ų32.322%0.21516%0.163CC..THydrogen-bonded Turntrans-59.2-29.4-17179-179.6-173.800113.6L380 G381 L505 C508L380-E384 PolarHBondContact O-N 3.49Å; G381-E384 WeakPolarHBondContact O-CG 3.34Å; E384-L505 HydrophobicContact CB-CD1 4.32Å; E384-C508 HydrophobicContact CB-CB 4.18Å
385R84.9Confident92.5Very high183 Ų18329.5 Ų29.569%0.69114%0.143SC*.THydrogen-bonded Turntrans-96.6-1.1178.8-56-170.8-175.6172.8-1.1113.3L383 R387L383-R385 PolarHBondContact O-N 2.85Å; L383-R385 VanDerWaalsContact O-N 3.09Å; R385-R387 VanDerWaalsContact C-N 3.3Å; R385-R387 PolarHBondContact O-N 3.37Å
386L90.7Very high92.7Very high2 Ų226.7 Ų26.71%0.0113%0.127CC..  trans-7981177.5-176.258.3000110.3F322 I323 L383 W388 L389F322-L386 HydrophobicContact CB-CD1 3.58Å; F322-L386 HydrophobicContact CB-CD2 4.04Å; F322-L386 HydrophobicContact CB-CG 4.47Å; F322-L386 HydrophobicContact CD2-CD1 4.1Å; F322-L386 HydrophobicContact CG-CD1 4.05Å; I323-L386 HydrophobicContact CG1-CD2 3.85Å; L383-L386 HydrophobicContact CD2-CD2 4.04Å; L383-L386 WeakPolarHBondContact O-CB 3.22Å; L383-L386 PolarHBondContact O-N 3.47Å; L386-W388 HydrophobicContact CD1-CB 4.23Å; L386-W388 PolarHBondContact O-N 2.95Å; L386-W388 VanDerWaalsContact O-N 3.1Å; L386-L389 HydrophobicContact CB-CD1 4.33Å; L386-L389 HydrophobicContact CB-CG 4.46Å; L386-L389 HydrophobicContact CD2-CD1 4.3Å; L386-L389 HydrophobicContact CD2-CG 4.06Å; L386-L389 HydrophobicContact CG-CD1 4.48Å; L386-L389 HydrophobicContact CG-CG 4.14Å; L386-L389 WeakPolarHBondContact O-CB 3.37Å; L386-L389 PolarHBondContact O-N 3.28Å
387R91.1Very high92.7Very high73 Ų7327.5 Ų27.528%0.27513%0.131SC..THydrogen-bonded Turntrans-61.6-19.7-177.1-57-168.164.6-145.2-7.6114.4E269 A275 S276 R385 L389 E390E269-R387 WeakPolarHBondContact OE1-CB 3.23Å; E269-R387 IonicContact OE1-NH1 3.87Å; E269-R387 IonicContact OE2-NH1 3.25Å; E269-R387 PolarHBondContact OE2-NH1 3.45Å; A275-R387 HydrophobicContact CB-CB 3.6Å; A275-R387 WeakPolarHBondContact CB-O 3.41Å; S276-R387 PolarHBondContact OG-NH1 2.86Å; S276-R387 VanDerWaalsContact OG-NH1 3.1Å; S276-R387 PolarHBondContact OG-NH2 3.28Å; R385-R387 VanDerWaalsContact C-N 3.3Å; R385-R387 PolarHBondContact O-N 3.37Å; R387-L389 PolarHBondContact O-N 3.4Å; R387-E390 WeakPolarHBondContact CB-OE1 3.42Å; R387-E390 WeakPolarHBondContact CG-OE1 3.28Å; R387-E390 IonicContact CZ-OE2 3.54Å; R387-E390 IonicContact NE-OE1 3.15Å; R387-E390 PolarHBondContact NE-OE1 2.94Å; R387-E390 IonicContact NE-OE2 2.63Å; R387-E390 IonicContact NH2-OE2 2.69Å; R387-E390 PolarHBondContact NH2-OE2 3.23Å; R387-E390 WeakPolarHBondContact O-CA 3.39Å; R387-E390 WeakPolarHBondContact O-CB 3.31Å; R387-E390 VanDerWaalsContact O-CG 3.3Å; R387-E390 WeakPolarHBondContact O-CG 3.19Å; R387-E390 PolarHBondContact O-N 2.92Å
388W93.1Very high92.5Very high1 Ų125.4 Ų25.40%0.00412%0.12CC..Hα-helixtrans-63-21.6173.6-65.5107.9000113.6F257 F273 A275 V278 V319 F322 L386 E390 V391 L392F257-W388 HydrophobicContact CD1-CH2 4.3Å; F257-W388 HydrophobicContact CD1-CZ2 4.39Å; F257-W388 HydrophobicContact CE1-CD2 4.13Å; F257-W388 AromaticContact CE1-CE3 3.72Å; F257-W388 HydrophobicContact CE1-CE3 3.72Å; F257-W388 AromaticContact CE1-CH2 3.46Å; F257-W388 HydrophobicContact CE1-CH2 3.46Å; F257-W388 VanDerWaalsContact CE1-CH2 3.46Å; F257-W388 AromaticContact CE1-CZ2 3.87Å; F257-W388 HydrophobicContact CE1-CZ2 3.87Å; F257-W388 AromaticContact CE1-CZ3 3.38Å; F257-W388 HydrophobicContact CE1-CZ3 3.38Å; F257-W388 HydrophobicContact CZ-CE3 4.24Å; F257-W388 HydrophobicContact CZ-CH2 4.06Å; F257-W388 AromaticContact CZ-CZ3 3.72Å; F257-W388 HydrophobicContact CZ-CZ3 3.72Å; F273-W388 HydrophobicContact CD1-CH2 4.24Å; F273-W388 HydrophobicContact CD1-CZ2 4.38Å; F273-W388 AromaticContact CE1-CH2 3.69Å; F273-W388 HydrophobicContact CE1-CH2 3.69Å; F273-W388 AromaticContact CE1-CZ2 3.95Å; F273-W388 HydrophobicContact CE1-CZ2 3.95Å; F273-W388 AromaticContact CZ-CH2 3.9Å; F273-W388 HydrophobicContact CZ-CH2 3.9Å; A275-W388 HydrophobicContact CB-CD2 4.31Å; A275-W388 HydrophobicContact CB-CE3 4.27Å; V278-W388 HydrophobicContact CB-CZ3 3.96Å; V278-W388 HydrophobicContact CG1-CZ3 4.25Å; V278-W388 HydrophobicContact CG2-CH2 3.9Å; V278-W388 HydrophobicContact CG2-CZ3 3.8Å; V319-W388 HydrophobicContact CG2-CB 3.78Å; F322-W388 HydrophobicContact CD2-CB 4.16Å; F322-W388 AromaticContact CD2-CD1 3.41Å; F322-W388 VanDerWaalsContact CD2-CD1 3.41Å; F322-W388 AromaticContact CD2-CG 3.83Å; F322-W388 HydrophobicContact CD2-CG 3.83Å; F322-W388 HydrophobicContact CE2-CB 4.39Å; F322-W388 AromaticContact CE2-CD1 3.22Å; F322-W388 HydrophobicContact CE2-CD2 4.04Å; F322-W388 AromaticContact CE2-CE2 3.88Å; F322-W388 AromaticContact CE2-CG 3.65Å; F322-W388 HydrophobicContact CE2-CG 3.65Å; F322-W388 AromaticContact CE2-NE1 3.37Å; F322-W388 AromaticContact CZ-NE1 3.81Å; L386-W388 HydrophobicContact CD1-CB 4.23Å; L386-W388 PolarHBondContact O-N 2.95Å; L386-W388 VanDerWaalsContact O-N 3.1Å; W388-E390 VanDerWaalsContact C-N 3.26Å; W388-E390 PolarHBondContact O-N 3.31Å; W388-V391 HydrophobicContact CE3-CG2 4.07Å; W388-V391 HydrophobicContact CZ3-CG2 4.42Å; W388-V391 PolarHBondContact O-N 3.3Å; W388-L392 PolarHBondContact O-N 2.93Å
389L94.9Very high92.2Very high0 Ų020.7 Ų20.70%010%0.098CC..Hα-helixtrans-64.1-31.7169.1-66.9174.9000111.7V319 L383 L386 R387 L392 K393 L441 R511 L515V319-L389 HydrophobicContact CG1-CD2 3.79Å; L383-L389 HydrophobicContact CB-CD1 4.24Å; L386-L389 HydrophobicContact CB-CD1 4.33Å; L386-L389 HydrophobicContact CB-CG 4.46Å; L386-L389 HydrophobicContact CD2-CD1 4.3Å; L386-L389 HydrophobicContact CD2-CG 4.06Å; L386-L389 HydrophobicContact CG-CD1 4.48Å; L386-L389 HydrophobicContact CG-CG 4.14Å; L386-L389 WeakPolarHBondContact O-CB 3.37Å; L386-L389 PolarHBondContact O-N 3.28Å; R387-L389 PolarHBondContact O-N 3.4Å; L389-L392 PolarHBondContact O-N 3.25Å; L389-K393 WeakPolarHBondContact O-CB 3.45Å; L389-K393 PolarHBondContact O-N 2.69Å; L389-L441 HydrophobicContact CD2-CD2 4.37Å; L389-R511 HydrophobicContact CB-CG 4.47Å; L389-L515 HydrophobicContact CD2-CD1 3.99Å
390E94.3Very high91.7Very high23 Ų2321.9 Ų21.911%0.10711%0.11CC..Hα-helixtrans-61.3-47.1175.6-56.7165.5-159.300109.9R387 W388 K393 I394 E481R387-E390 WeakPolarHBondContact CB-OE1 3.42Å; R387-E390 WeakPolarHBondContact CG-OE1 3.28Å; R387-E390 IonicContact CZ-OE2 3.54Å; R387-E390 IonicContact NE-OE1 3.15Å; R387-E390 PolarHBondContact NE-OE1 2.94Å; R387-E390 IonicContact NE-OE2 2.63Å; R387-E390 IonicContact NH2-OE2 2.69Å; R387-E390 PolarHBondContact NH2-OE2 3.23Å; R387-E390 WeakPolarHBondContact O-CA 3.39Å; R387-E390 WeakPolarHBondContact O-CB 3.31Å; R387-E390 VanDerWaalsContact O-CG 3.3Å; R387-E390 WeakPolarHBondContact O-CG 3.19Å; R387-E390 PolarHBondContact O-N 2.92Å; W388-E390 VanDerWaalsContact C-N 3.26Å; W388-E390 PolarHBondContact O-N 3.31Å; E390-K393 PolarHBondContact O-N 2.93Å; E390-I394 WeakPolarHBondContact O-CD1 3.46Å; E390-I394 WeakPolarHBondContact O-CG1 3.5Å; E390-I394 PolarHBondContact O-N 3.11Å; E390-E481 HydrophobicContact CB-CB 3.91Å; E390-E481 HydrophobicContact CB-CG 4.03Å; E390-E481 HydrophobicContact CG-CB 4.19Å; E390-E481 HydrophobicContact CG-CG 4.39Å
391V95.3Very high91Very high0 Ų025.7 Ų25.70%013%0.13CC..Hα-helixtrans-62.2-49.9177.9-177.30000110.2A275 V278 R279 V282 V315 W388 K393 I394 M395A275-V391 HydrophobicContact CB-CG2 3.85Å; A275-V391 WeakPolarHBondContact O-CG2 2.92Å; V278-V391 HydrophobicContact CG1-CG1 3.87Å; R279-V391 HydrophobicContact CB-CG2 4.28Å; V282-V391 HydrophobicContact CG2-CG1 4.4Å; V315-V391 HydrophobicContact CG1-CB 4.47Å; V315-V391 HydrophobicContact CG1-CG1 4.19Å; V315-V391 HydrophobicContact CG2-CG1 4.05Å; W388-V391 HydrophobicContact CE3-CG2 4.07Å; W388-V391 HydrophobicContact CZ3-CG2 4.42Å; W388-V391 PolarHBondContact O-N 3.3Å; V391-K393 VanDerWaalsContact C-N 3.31Å; V391-K393 PolarHBondContact O-N 3.42Å; V391-I394 PolarHBondContact O-N 3.25Å; V391-M395 HydrophobicContact CG1-SD 4.17Å; V391-M395 VanDerWaalsContact O-CG 3.29Å; V391-M395 WeakPolarHBondContact O-CG 3.24Å; V391-M395 PolarHBondContact O-N 3.05Å
392L96Very high90.2Very high0 Ų026.5 Ų26.50%013%0.125CC..Hα-helixtrans-58-45.8179.8-178.462.9000111.2F312 V315 V316 V319 W388 L389 I394 M395 C396 V437 L515F312-L392 HydrophobicContact CD2-CD1 4.23Å; F312-L392 HydrophobicContact CE2-CD1 3.6Å; F312-L392 HydrophobicContact CZ-CD1 4.37Å; V315-L392 HydrophobicContact CG1-CB 4.14Å; V315-L392 HydrophobicContact CG1-CD1 4.37Å; V316-L392 HydrophobicContact CG2-CD1 3.65Å; V319-L392 HydrophobicContact CB-CD2 4.47Å; V319-L392 HydrophobicContact CG1-CD2 4.04Å; V319-L392 HydrophobicContact CG2-CB 4.46Å; V319-L392 HydrophobicContact CG2-CD2 4.45Å; W388-L392 PolarHBondContact O-N 2.93Å; L389-L392 PolarHBondContact O-N 3.25Å; L392-I394 PolarHBondContact O-N 3.09Å; L392-M395 PolarHBondContact O-N 2.63Å; L392-C396 WeakPolarHBondContact O-CB 3.26Å; L392-C396 PolarHBondContact O-N 2.84Å; L392-C396 PolarHBondContact O-SG 3.1Å; L392-V437 HydrophobicContact CD2-CG1 4.1Å; L392-L515 HydrophobicContact CB-CD2 4.49Å; L392-L515 HydrophobicContact CD2-CD1 4.41Å; L392-L515 HydrophobicContact CD2-CD2 4.1Å; L392-L515 HydrophobicContact CG-CD2 3.87Å
393K95.8Very high89.1Confident0 Ų028 Ų280%013%0.133CC..Hα-helixtrans-58.4-47.9178.5-180-97.1-175.7-154.40112L389 E390 V391 M395 C396 D397 E481 D482 R511 L515L389-K393 WeakPolarHBondContact O-CB 3.45Å; L389-K393 PolarHBondContact O-N 2.69Å; E390-K393 PolarHBondContact O-N 2.93Å; V391-K393 VanDerWaalsContact C-N 3.31Å; V391-K393 PolarHBondContact O-N 3.42Å; K393-M395 VanDerWaalsContact C-N 3.32Å; K393-M395 PolarHBondContact O-N 2.79Å; K393-C396 WeakPolarHBondContact O-CB 3.36Å; K393-C396 PolarHBondContact O-N 3.41Å; K393-C396 VanDerWaalsContact O-N 3.15Å; K393-D397 VanDerWaalsContact CE-OD2 3.28Å; K393-D397 WeakPolarHBondContact CE-OD2 3.46Å; K393-D397 IonicContact NZ-OD1 3.73Å; K393-D397 IonicContact NZ-OD2 2.6Å; K393-D397 PolarHBondContact NZ-OD2 3.3Å; K393-D397 PolarHBondContact O-N 3.33Å; K393-E481 HydrophobicContact CD-CG 4.46Å; K393-D482 IonicContact NZ-OD1 2.65Å; K393-D482 PolarHBondContact NZ-OD1 3.24Å; K393-D482 IonicContact NZ-OD2 3.13Å; K393-D482 PolarHBondContact NZ-OD2 2.98Å; K393-R511 HydrophobicContact CB-CG 3.93Å; K393-R511 HydrophobicContact CG-CG 4.01Å; K393-L515 HydrophobicContact CB-CD2 4.11Å; K393-L515 HydrophobicContact CB-CG 4.4Å
394I94.3Very high87.6Confident0 Ų034.6 Ų34.60%017%0.168CC..Hα-helixtrans-62.6-38.9178.3-75161.3000112.2R279 V282 E390 V391 L392 D397 W398 E481 L485 I489R279-I394 HydrophobicContact CG-CD1 3.49Å; R279-I394 VanDerWaalsContact CG-CD1 3.49Å; V282-I394 HydrophobicContact CG1-CG2 4.03Å; E390-I394 WeakPolarHBondContact O-CD1 3.46Å; E390-I394 WeakPolarHBondContact O-CG1 3.5Å; E390-I394 PolarHBondContact O-N 3.11Å; V391-I394 PolarHBondContact O-N 3.25Å; L392-I394 PolarHBondContact O-N 3.09Å; I394-D397 PolarHBondContact O-N 3.09Å; I394-W398 PolarHBondContact O-N 3.43Å; I394-W398 VanDerWaalsContact O-N 3.09Å; I394-E481 HydrophobicContact CD1-CB 3.89Å; I394-E481 HydrophobicContact CD1-CG 3.88Å; I394-E481 HydrophobicContact CG1-CG 4.31Å; I394-L485 HydrophobicContact CD1-CD1 3.53Å; I394-L485 HydrophobicContact CG1-CD1 4.1Å; I394-L485 HydrophobicContact CG2-CD1 3.89Å; I394-I489 HydrophobicContact CB-CD1 4.41Å; I394-I489 HydrophobicContact CG1-CD1 4.21Å; I394-I489 HydrophobicContact CG2-CD1 3.74Å
395M94Very high86.4Confident0 Ų034.1 Ų34.10%017%0.167CC..Hα-helixtrans-66.5-40.5175.3-62.8-175.795.300111.6V282 M308 L311 F312 V315 V391 L392 K393 W398 L399V282-M395 HydrophobicContact CG1-CG 3.93Å; V282-M395 HydrophobicContact CG2-CE 3.89Å; V282-M395 HydrophobicContact CG2-CG 4.02Å; V282-M395 HydrophobicContact CG2-SD 4.02Å; M308-M395 HydrophobicContact CE-CB 4.33Å; M308-M395 HydrophobicContact CE-CE 3.62Å; M308-M395 HydrophobicContact CE-CG 4.03Å; M308-M395 WeakPolarHBondContact O-CE 3.18Å; M308-M395 HydrophobicContact SD-CE 3.55Å; M308-M395 VanDerWaalsContact SD-CE 3.55Å; L311-M395 HydrophobicContact CB-CE 4.37Å; L311-M395 HydrophobicContact CD2-CE 4.5Å; L311-M395 HydrophobicContact CG-CE 4.25Å; F312-M395 VanDerWaalsContact CA-CE 3.42Å; F312-M395 HydrophobicContact CB-CE 3.5Å; F312-M395 VanDerWaalsContact CB-CE 3.5Å; F312-M395 HydrophobicContact CB-SD 4.08Å; F312-M395 HydrophobicContact CD2-CB 3.6Å; F312-M395 HydrophobicContact CD2-CE 4.3Å; F312-M395 HydrophobicContact CD2-CG 4.36Å; F312-M395 HydrophobicContact CD2-SD 3.9Å; F312-M395 HydrophobicContact CE2-CB 4.08Å; F312-M395 HydrophobicContact CG-CE 4.38Å; F312-M395 HydrophobicContact CG-SD 4.49Å; V315-M395 HydrophobicContact CB-SD 4.39Å; V315-M395 HydrophobicContact CG2-SD 4.17Å; V391-M395 HydrophobicContact CG1-SD 4.17Å; V391-M395 VanDerWaalsContact O-CG 3.29Å; V391-M395 WeakPolarHBondContact O-CG 3.24Å; V391-M395 PolarHBondContact O-N 3.05Å; L392-M395 PolarHBondContact O-N 2.63Å; K393-M395 VanDerWaalsContact C-N 3.32Å; K393-M395 PolarHBondContact O-N 2.79Å; M395-W398 PolarHBondContact O-N 2.74Å; M395-L399 WeakPolarHBondContact O-CB 3.44Å; M395-L399 VanDerWaalsContact O-CG 3.28Å; M395-L399 WeakPolarHBondContact O-CG 3.37Å; M395-L399 PolarHBondContact O-N 3.02Å
396C93Very high85.1Confident0 Ų025.4 Ų25.40%013%0.134CC..Hα-helixtrans-62.8-42.2174.2-68.70000112.2L392 K393 W398 L399 S400 L515 F518L392-C396 WeakPolarHBondContact O-CB 3.26Å; L392-C396 PolarHBondContact O-N 2.84Å; L392-C396 PolarHBondContact O-SG 3.1Å; K393-C396 WeakPolarHBondContact O-CB 3.36Å; K393-C396 PolarHBondContact O-N 3.41Å; K393-C396 VanDerWaalsContact O-N 3.15Å; C396-W398 PolarHBondContact O-N 3.42Å; C396-L399 PolarHBondContact O-N 2.91Å; C396-S400 WeakPolarHBondContact O-CB 3.41Å; C396-S400 PolarHBondContact O-N 2.92Å; C396-S400 PolarHBondContact O-OG 3.48Å; C396-L515 HydrophobicContact CB-CD2 4.39Å; C396-F518 HydrophobicContact CB-CB 4.15Å; C396-F518 HydrophobicContact CB-CD1 3.61Å; C396-F518 HydrophobicContact CB-CD2 4.12Å; C396-F518 HydrophobicContact CB-CE1 3.9Å; C396-F518 HydrophobicContact CB-CE2 4.36Å; C396-F518 HydrophobicContact CB-CG 3.69Å; C396-F518 HydrophobicContact CB-CZ 4.24Å; C396-F518 WeakPolarHBondContact O-CE2 3.4Å; C396-F518 WeakPolarHBondContact SG-CD1 3.31Å; C396-F518 WeakPolarHBondContact SG-CE1 3.06Å
397D91.2Very high83.5Confident17 Ų1730.2 Ų30.29%0.09116%0.156CC..Hα-helixtrans-59.3-47.6175.1-70.9-23.7000111.1K393 I394 L399 S400 L401 I489K393-D397 VanDerWaalsContact CE-OD2 3.28Å; K393-D397 WeakPolarHBondContact CE-OD2 3.46Å; K393-D397 IonicContact NZ-OD1 3.73Å; K393-D397 IonicContact NZ-OD2 2.6Å; K393-D397 PolarHBondContact NZ-OD2 3.3Å; K393-D397 PolarHBondContact O-N 3.33Å; I394-D397 PolarHBondContact O-N 3.09Å; D397-L399 PolarHBondContact O-N 3.09Å; D397-S400 WeakPolarHBondContact O-CB 3.26Å; D397-S400 PolarHBondContact O-N 3.37Å; D397-L401 WeakPolarHBondContact O-CG 3.37Å; D397-L401 PolarHBondContact O-N 3.39Å; D397-I489 HydrophobicContact CB-CG2 4.22Å
398W88.1Confident81.7Confident4 Ų428.2 Ų28.22%0.01515%0.154CC..Hα-helixtrans-63.2-41.2178.1-177.675.5000112.5I286 I289 M308 I394 M395 C396 S400 L401 H402 L405I286-W398 HydrophobicContact CD1-CB 3.93Å; I286-W398 HydrophobicContact CD1-CG 3.71Å; I286-W398 HydrophobicContact CG1-CD2 4.17Å; I286-W398 HydrophobicContact CG1-CG 3.81Å; I289-W398 HydrophobicContact CD1-CH2 3.84Å; I289-W398 HydrophobicContact CD1-CZ2 3.76Å; I289-W398 HydrophobicContact CG2-CZ2 4.46Å; M308-W398 HydrophobicContact CE-CD2 4.1Å; M308-W398 HydrophobicContact CE-CE3 3.65Å; M308-W398 HydrophobicContact CE-CZ3 4.17Å; M308-W398 HydrophobicContact CG-CE3 4.31Å; M308-W398 HydrophobicContact CG-CH2 4.25Å; M308-W398 HydrophobicContact CG-CZ3 3.86Å; I394-W398 PolarHBondContact O-N 3.43Å; I394-W398 VanDerWaalsContact O-N 3.09Å; M395-W398 PolarHBondContact O-N 2.74Å; C396-W398 PolarHBondContact O-N 3.42Å; W398-S400 VanDerWaalsContact C-N 3.3Å; W398-S400 PolarHBondContact O-N 2.98Å; W398-L401 PolarHBondContact O-N 3.33Å; W398-H402 AromaticContact CD1-CD2 3.88Å; W398-H402 AromaticContact CD1-NE2 3.82Å; W398-H402 AromaticContact CD2-CD2 3.82Å; W398-H402 AromaticContact CE2-CD2 3.29Å; W398-H402 AromaticContact CE2-NE2 3.63Å; W398-H402 AromaticContact CZ2-CD2 3.54Å; W398-H402 AromaticContact CZ2-NE2 3.98Å; W398-H402 AromaticContact NE1-CD2 3.31Å; W398-H402 PolarHBondContact NE1-CD2 2.97Å; W398-H402 VanDerWaalsContact NE1-CD2 3.31Å; W398-H402 AromaticContact NE1-NE2 3.16Å; W398-H402 PolarHBondContact NE1-NE2 3.4Å; W398-H402 VanDerWaalsContact NE1-NE2 3.16Å; W398-H402 PolarHBondContact O-CD2 3.16Å; W398-H402 PolarHBondContact O-N 3.43Å; W398-L405 HydrophobicContact CH2-CD1 3.58Å; W398-L405 HydrophobicContact CZ2-CD1 4.11Å; W398-L405 HydrophobicContact CZ3-CD1 4.27Å
399L84.8Confident79.9Confident1 Ų128.4 Ų28.41%0.00516%0.155CC..Hα-helixtrans-64-34.7174.5-72.8171.8000112.3L309 F312 M395 C396 D397 L401 H402 T406 M409 F518L309-L399 HydrophobicContact CD2-CD2 3.77Å; F312-L399 HydrophobicContact CD1-CD1 4.01Å; F312-L399 HydrophobicContact CD2-CD1 4.23Å; F312-L399 HydrophobicContact CE1-CD1 3.78Å; F312-L399 HydrophobicContact CE2-CD1 3.96Å; F312-L399 HydrophobicContact CG-CD1 4.26Å; F312-L399 HydrophobicContact CZ-CD1 3.75Å; M395-L399 WeakPolarHBondContact O-CB 3.44Å; M395-L399 VanDerWaalsContact O-CG 3.28Å; M395-L399 WeakPolarHBondContact O-CG 3.37Å; M395-L399 PolarHBondContact O-N 3.02Å; C396-L399 PolarHBondContact O-N 2.91Å; D397-L399 PolarHBondContact O-N 3.09Å; L399-L401 VanDerWaalsContact C-N 3.29Å; L399-L401 PolarHBondContact O-N 2.79Å; L399-H402 CarbonylContact O-C 3.55Å; L399-H402 PolarHBondContact O-N 3.21Å; L399-H402 VanDerWaalsContact O-N 3.1Å; L399-T406 PolarHBondContact O-OG1 3.15Å; L399-M409 HydrophobicContact CD2-SD 4.13Å; L399-F518 HydrophobicContact CB-CE2 3.96Å; L399-F518 HydrophobicContact CB-CZ 3.9Å; L399-F518 HydrophobicContact CD1-CZ 4.1Å
400S83.5Confident77.5Confident55 Ų5531.2 Ų31.239%0.38517%0.17SC..Hα-helixtrans-63.1-35.6176.4-58.20000112.2C396 D397 W398 H402 F518C396-S400 WeakPolarHBondContact O-CB 3.41Å; C396-S400 PolarHBondContact O-N 2.92Å; C396-S400 PolarHBondContact O-OG 3.48Å; D397-S400 WeakPolarHBondContact O-CB 3.26Å; D397-S400 PolarHBondContact O-N 3.37Å; W398-S400 VanDerWaalsContact C-N 3.3Å; W398-S400 PolarHBondContact O-N 2.98Å; S400-H402 PolarHBondContact O-N 3.31Å; S400-F518 WeakPolarHBondContact OG-CD2 3.39Å
401L80.9Confident75Confident81 Ų8136.3 Ų36.342%0.42420%0.195SC..THydrogen-bonded Turntrans-76.1-9.6176.5-62.6174.4000113.3D397 W398 L399 P403 I489D397-L401 WeakPolarHBondContact O-CG 3.37Å; D397-L401 PolarHBondContact O-N 3.39Å; W398-L401 PolarHBondContact O-N 3.33Å; L399-L401 VanDerWaalsContact C-N 3.29Å; L399-L401 PolarHBondContact O-N 2.79Å; L401-P403 VanDerWaalsContact C-CD 3.48Å; L401-I489 HydrophobicContact CD1-CG2 3.95Å; L401-I489 WeakPolarHBondContact CD1-O 3.4Å
402H74.8Confident72.5Confident49 Ų4937.5 Ų37.523%0.22720%0.202CC..  trans-130.761.6-177.2-61.5-39.4000112.4W398 L399 S400 N404 L405 T406W398-H402 AromaticContact CD1-CD2 3.88Å; W398-H402 AromaticContact CD1-NE2 3.82Å; W398-H402 AromaticContact CD2-CD2 3.82Å; W398-H402 AromaticContact CE2-CD2 3.29Å; W398-H402 AromaticContact CE2-NE2 3.63Å; W398-H402 AromaticContact CZ2-CD2 3.54Å; W398-H402 AromaticContact CZ2-NE2 3.98Å; W398-H402 AromaticContact NE1-CD2 3.31Å; W398-H402 PolarHBondContact NE1-CD2 2.97Å; W398-H402 VanDerWaalsContact NE1-CD2 3.31Å; W398-H402 AromaticContact NE1-NE2 3.16Å; W398-H402 PolarHBondContact NE1-NE2 3.4Å; W398-H402 VanDerWaalsContact NE1-NE2 3.16Å; W398-H402 PolarHBondContact O-CD2 3.16Å; W398-H402 PolarHBondContact O-N 3.43Å; L399-H402 CarbonylContact O-C 3.55Å; L399-H402 PolarHBondContact O-N 3.21Å; L399-H402 VanDerWaalsContact O-N 3.1Å; S400-H402 PolarHBondContact O-N 3.31Å; H402-N404 PolarHBondContact O-N 2.91Å; H402-L405 HydrophobicContact CB-CB 4.13Å; H402-L405 HydrophobicContact CB-CD1 3.86Å; H402-L405 HydrophobicContact CB-CG 4.11Å; H402-L405 WeakPolarHBondContact O-CB 3.09Å; H402-L405 PolarHBondContact O-N 3.22Å; H402-T406 PolarHBondContact O-N 3.27Å; H402-T406 VanDerWaalsContact O-N 3.15Å; H402-T406 PolarHBondContact O-OG1 3.37Å
403P67.4Low70Confident52 Ų5237.9 Ų37.934%0.33821%0.205SC..Hα-helixtrans-57.4-28.8-175.923.8-35.1000113.3L401 T406 H407 I525L401-P403 VanDerWaalsContact C-CD 3.48Å; P403-T406 PolarHBondContact O-N 3.27Å; P403-H407 VanDerWaalsContact O-CB 3.28Å; P403-H407 WeakPolarHBondContact O-CB 3.49Å; P403-H407 PolarHBondContact O-N 2.97Å; P403-I525 HydrophobicContact CB-CD1 3.8Å; P403-I525 HydrophobicContact CB-CG1 4.09Å; P403-I525 HydrophobicContact CB-CG2 4.31Å
404N61.5Low67.1Low139 Ų13945.4 Ų45.474%0.74324%0.238SC*.Hα-helixtrans-65.4-37.9174.6-66-22.4000112.8H402 S408H402-N404 PolarHBondContact O-N 2.91Å; N404-S408 VanDerWaalsContact O-CB 3.26Å; N404-S408 WeakPolarHBondContact O-CB 3Å; N404-S408 PolarHBondContact O-N 2.72Å; N404-S408 VanDerWaalsContact O-N 3.11Å; N404-S408 PolarHBondContact O-OG 3.46Å
405L65.6Low64.2Low36 Ų3651.6 Ų51.619%0.18827%0.271CS..Hα-helixtrans-69-46.8174.6-68.9179.6000109.6V305 W398 H402 H407 S408 M409V305-L405 HydrophobicContact CG1-CD2 4.14Å; W398-L405 HydrophobicContact CH2-CD1 3.58Å; W398-L405 HydrophobicContact CZ2-CD1 4.11Å; W398-L405 HydrophobicContact CZ3-CD1 4.27Å; H402-L405 HydrophobicContact CB-CB 4.13Å; H402-L405 HydrophobicContact CB-CD1 3.86Å; H402-L405 HydrophobicContact CB-CG 4.11Å; H402-L405 WeakPolarHBondContact O-CB 3.09Å; H402-L405 PolarHBondContact O-N 3.22Å; L405-H407 PolarHBondContact O-N 3.47Å; L405-S408 WeakPolarHBondContact CA-OG 3.32Å; L405-S408 CarbonylContact O-C 3.33Å; L405-S408 PolarHBondContact O-N 3.06Å; L405-S408 VanDerWaalsContact O-N 3.07Å; L405-S408 PolarHBondContact O-OG 3.36Å; L405-M409 VanDerWaalsContact O-CG 3.24Å; L405-M409 WeakPolarHBondContact O-CG 3.13Å; L405-M409 PolarHBondContact O-N 3.44Å
406T57Low61.8Low0 Ų052.4 Ų52.40%028%0.275CS..Hα-helixtrans-57.2-48.7178.6-48.20000111.8L399 H402 P403 S408 M409 W431 L522 L527L399-T406 PolarHBondContact O-OG1 3.15Å; H402-T406 PolarHBondContact O-N 3.27Å; H402-T406 VanDerWaalsContact O-N 3.15Å; H402-T406 PolarHBondContact O-OG1 3.37Å; P403-T406 PolarHBondContact O-N 3.27Å; T406-S408 VanDerWaalsContact C-N 3.29Å; T406-S408 PolarHBondContact O-N 3.29Å; T406-M409 PolarHBondContact O-N 2.72Å; T406-W431 HydrophobicContact CG2-CH2 3.55Å; T406-W431 HydrophobicContact CG2-CZ2 4.06Å; T406-W431 HydrophobicContact CG2-CZ3 4.44Å; T406-L522 HydrophobicContact CG2-CD2 3.58Å; T406-L527 HydrophobicContact CG2-CD1 4.04Å
407H56.2Low59.3Low103 Ų10354.9 Ų54.948%0.47729%0.288SS..Hα-helixtrans-65.4-32.2176.2-172.9-71000112.5P403 L405 I525P403-H407 VanDerWaalsContact O-CB 3.28Å; P403-H407 WeakPolarHBondContact O-CB 3.49Å; P403-H407 PolarHBondContact O-N 2.97Å; L405-H407 PolarHBondContact O-N 3.47Å; H407-I525 HydrophobicContact CB-CG2 4.19Å
408S55Low56.7Low32 Ų3258.7 Ų58.722%0.22432%0.321CS..Hα-helixtrans-87.6-2.2179.662.80000113.9N404 L405 T406 D410 M411 V412N404-S408 VanDerWaalsContact O-CB 3.26Å; N404-S408 WeakPolarHBondContact O-CB 3Å; N404-S408 PolarHBondContact O-N 2.72Å; N404-S408 VanDerWaalsContact O-N 3.11Å; N404-S408 PolarHBondContact O-OG 3.46Å; L405-S408 WeakPolarHBondContact CA-OG 3.32Å; L405-S408 CarbonylContact O-C 3.33Å; L405-S408 PolarHBondContact O-N 3.06Å; L405-S408 VanDerWaalsContact O-N 3.07Å; L405-S408 PolarHBondContact O-OG 3.36Å; T406-S408 VanDerWaalsContact C-N 3.29Å; T406-S408 PolarHBondContact O-N 3.29Å; S408-D410 PolarHBondContact O-N 2.93Å; S408-D410 VanDerWaalsContact O-N 3.12Å; S408-M411 CarbonylContact O-C 3.44Å; S408-M411 WeakPolarHBondContact O-CA 3.47Å; S408-M411 WeakPolarHBondContact O-CB 3.44Å; S408-M411 PolarHBondContact O-N 3.27Å; S408-V412 WeakPolarHBondContact O-CB 3.41Å; S408-V412 WeakPolarHBondContact O-CG2 3.42Å; S408-V412 PolarHBondContact O-N 3.2Å
409M54.1Low54.5Low5 Ų562.4 Ų62.43%0.02535%0.353CS..Hα-helixtrans-56.5-33.5-179.1-68.9-17255.300112.8L309 F312 L399 L405 T406 A413 I430 W431L309-M409 HydrophobicContact CB-CE 4.29Å; L309-M409 HydrophobicContact CD1-CE 4.27Å; L309-M409 HydrophobicContact CD1-CG 3.89Å; L309-M409 HydrophobicContact CD1-SD 4.39Å; L309-M409 HydrophobicContact CD2-CE 3.74Å; L309-M409 HydrophobicContact CD2-CG 4.27Å; L309-M409 HydrophobicContact CD2-SD 3.73Å; L309-M409 HydrophobicContact CG-CE 4.31Å; F312-M409 HydrophobicContact CD1-CE 4.23Å; L399-M409 HydrophobicContact CD2-SD 4.13Å; L405-M409 VanDerWaalsContact O-CG 3.24Å; L405-M409 WeakPolarHBondContact O-CG 3.13Å; L405-M409 PolarHBondContact O-N 3.44Å; T406-M409 PolarHBondContact O-N 2.72Å; M409-A413 WeakPolarHBondContact O-CB 3.48Å; M409-A413 PolarHBondContact O-N 2.86Å; M409-I430 HydrophobicContact CE-CD1 3.99Å; M409-I430 HydrophobicContact CE-CG2 4.22Å; M409-W431 HydrophobicContact CB-CZ2 3.93Å; M409-W431 HydrophobicContact CE-CH2 4.39Å; M409-W431 HydrophobicContact CE-CZ2 4.18Å; M409-W431 HydrophobicContact CG-CZ2 4.05Å; M409-W431 HydrophobicContact SD-CH2 3.56Å; M409-W431 VanDerWaalsContact SD-CH2 3.56Å; M409-W431 HydrophobicContact SD-CZ2 3.45Å; M409-W431 WeakPolarHBondContact SD-CZ2 3.47Å
410D45.9Very low52.4Low59 Ų5963.2 Ų63.232%0.31636%0.359SS..Hα-helixtrans-66.9-36.7173.3-76.8-4.5000112.2S408 F414S408-D410 PolarHBondContact O-N 2.93Å; S408-D410 VanDerWaalsContact O-N 3.12Å; D410-F414 PolarHBondContact O-N 3.16Å
411M40.9Very low50.5Low129 Ų12965.9 Ų65.964%0.63538%0.378SS*.Hα-helixtrans-77.4-36.7175.8-84.9-78.4-17800113S408 F414 L415S408-M411 CarbonylContact O-C 3.44Å; S408-M411 WeakPolarHBondContact O-CA 3.47Å; S408-M411 WeakPolarHBondContact O-CB 3.44Å; S408-M411 PolarHBondContact O-N 3.27Å; M411-F414 WeakPolarHBondContact O-CB 3.47Å; M411-F414 PolarHBondContact O-N 3.01Å; M411-L415 PolarHBondContact O-N 3.26Å
412V43.4Very low48.8Very low26 Ų2669.9 Ų69.916%0.15839%0.394CS..Hα-helixtrans-71.3-40.9178.4171.60000109L309 S408 F414 L415 I416L309-V412 HydrophobicContact CD1-CG1 4.14Å; S408-V412 WeakPolarHBondContact O-CB 3.41Å; S408-V412 WeakPolarHBondContact O-CG2 3.42Å; S408-V412 PolarHBondContact O-N 3.2Å; V412-F414 VanDerWaalsContact C-N 3.28Å; V412-F414 PolarHBondContact O-N 2.96Å; V412-L415 PolarHBondContact O-N 2.86Å; V412-I416 HydrophobicContact CG1-CD1 3.32Å; V412-I416 HydrophobicContact CG1-CG1 4.14Å; V412-I416 WeakPolarHBondContact O-CB 3.46Å; V412-I416 VanDerWaalsContact O-CD1 3.22Å; V412-I416 WeakPolarHBondContact O-CD1 3.26Å; V412-I416 WeakPolarHBondContact O-CG1 3.44Å; V412-I416 PolarHBondContact O-N 3.15Å
413A42.9Very low47.2Very low7 Ų768.5 Ų68.56%0.05839%0.392CS..Hα-helixtrans-52.1-50.3165.800000110.2M409 L415 I416 I417 L427M409-A413 WeakPolarHBondContact O-CB 3.48Å; M409-A413 PolarHBondContact O-N 2.86Å; A413-L415 PolarHBondContact O-N 3.17Å; A413-I416 PolarHBondContact O-N 3.26Å; A413-I417 HydrophobicContact CB-CD1 4.03Å; A413-I417 WeakPolarHBondContact O-CB 3.31Å; A413-I417 WeakPolarHBondContact O-CD1 3.34Å; A413-I417 WeakPolarHBondContact O-CG1 3.47Å; A413-I417 PolarHBondContact O-N 3.23Å; A413-L427 HydrophobicContact CB-CB 3.7Å; A413-L427 HydrophobicContact CB-CD1 4.15Å
414F35.4Very low46.3Very low158 Ų15866.6 Ų66.669%0.69338%0.379SS*.Hα-helixtrans-60.1-42.4179-167.9-96.7000113.9D410 M411 V412D410-F414 PolarHBondContact O-N 3.16Å; M411-F414 WeakPolarHBondContact O-CB 3.47Å; M411-F414 PolarHBondContact O-N 3.01Å; V412-F414 VanDerWaalsContact C-N 3.28Å; V412-F414 PolarHBondContact O-N 2.96Å
415L33.7Very low45.5Very low130 Ų13063.9 Ų63.968%0.68136%0.364SS*.Hα-helixtrans-72.6-31.5-179.6-77.2164.4000113.5M411 V412 A413M411-L415 PolarHBondContact O-N 3.26Å; V412-L415 PolarHBondContact O-N 2.86Å; A413-L415 PolarHBondContact O-N 3.17Å
416I42.2Very low44.8Very low17 Ų1764 Ų649%0.08737%0.365CS..Hα-helixtrans-85.4-32.3179.5-51.8155.5000111.2S306 V412 A413 A418 A419 L424 L427S306-I416 VanDerWaalsContact CB-CD1 3.4Å; S306-I416 WeakPolarHBondContact OG-CD1 3.12Å; S306-I416 WeakPolarHBondContact OG-CG1 3.3Å; V412-I416 HydrophobicContact CG1-CD1 3.32Å; V412-I416 HydrophobicContact CG1-CG1 4.14Å; V412-I416 WeakPolarHBondContact O-CB 3.46Å; V412-I416 VanDerWaalsContact O-CD1 3.22Å; V412-I416 WeakPolarHBondContact O-CD1 3.26Å; V412-I416 WeakPolarHBondContact O-CG1 3.44Å; V412-I416 PolarHBondContact O-N 3.15Å; A413-I416 PolarHBondContact O-N 3.26Å; I416-A418 PolarHBondContact O-N 2.96Å; I416-A419 PolarHBondContact O-N 3.28Å; I416-A419 VanDerWaalsContact O-N 3.14Å; I416-L424 HydrophobicContact CB-CD2 3.72Å; I416-L424 HydrophobicContact CG2-CD1 3.56Å; I416-L424 HydrophobicContact CG2-CD2 3.31Å; I416-L424 HydrophobicContact CG2-CG 4.05Å; I416-L427 HydrophobicContact CD1-CD1 4.05Å
417I41.2Very low44.6Very low53 Ų5364.4 Ų64.427%0.27237%0.366SS..Hα-helixtrans-62.6-24.4179.2-73.9163.7000112.5A413 A419 L424 K428A413-I417 HydrophobicContact CB-CD1 4.03Å; A413-I417 WeakPolarHBondContact O-CB 3.31Å; A413-I417 WeakPolarHBondContact O-CD1 3.34Å; A413-I417 WeakPolarHBondContact O-CG1 3.47Å; A413-I417 PolarHBondContact O-N 3.23Å; I417-A419 PolarHBondContact O-N 2.99Å; I417-L424 HydrophobicContact CG1-CB 4.29Å; I417-L424 HydrophobicContact CG1-CD2 4.42Å; I417-K428 HydrophobicContact CD1-CD 4.45Å; I417-K428 HydrophobicContact CD1-CG 3.97Å
418A35.8Very low44.5Very low96 Ų9664.4 Ų64.479%0.79337%0.365SS*.THydrogen-bonded Turntrans-67.7-12176.600000114.3I416I416-A418 PolarHBondContact O-N 2.96Å
419A43.1Very low44.9Very low82 Ų8264.9 Ų64.968%0.67837%0.365SS*.THydrogen-bonded Turntrans-112.7-7.6-170.600000116I416 I417I416-A419 PolarHBondContact O-N 3.28Å; I416-A419 VanDerWaalsContact O-N 3.14Å; I417-A419 PolarHBondContact O-N 2.99Å
420A39.8Very low45.9Very low18 Ų1864.8 Ų64.815%0.14937%0.365CS..  trans-152.6121.3-178.200000114.7Q247 L424Q247-A420 VanDerWaalsContact OE1-CB 3.3Å; A420-L424 HydrophobicContact CB-CD1 3.9Å
421S44.5Very low47.5Very low112 Ų11262.6 Ų62.678%0.78335%0.352SS*.SBendtrans-70.1130.3169.423.10000111.2A423S421-A423 PolarHBondContact O-N 3.06Å
422H44.4Very low49.3Very low164 Ų16457.8 Ų57.876%0.75933%0.33SS*.SBendtrans76.9-39.1173.5-74.5-102.3000119.8L424H422-L424 VanDerWaalsContact C-N 3.32Å; H422-L424 PolarHBondContact O-N 3.23Å
423A40.7Very low51Low21 Ų2157.8 Ų57.817%0.17433%0.327CS..THydrogen-bonded Turntrans-79.9-6.3-174.700000115.5Q247 S421Q247-A423 HydrophobicContact CB-CB 4.27Å; Q247-A423 HydrophobicContact CG-CB 4.41Å; S421-A423 PolarHBondContact O-N 3.06Å
424L48.2Very low53.2Low12 Ų1257.5 Ų57.56%0.06333%0.325CS..THydrogen-bonded Turntrans-11819.8-170.9-102.2135.1000114.5Q247 I416 I417 A420 H422 L427Q247-L424 HydrophobicContact CG-CD1 4.44Å; I416-L424 HydrophobicContact CB-CD2 3.72Å; I416-L424 HydrophobicContact CG2-CD1 3.56Å; I416-L424 HydrophobicContact CG2-CD2 3.31Å; I416-L424 HydrophobicContact CG2-CG 4.05Å; I417-L424 HydrophobicContact CG1-CB 4.29Å; I417-L424 HydrophobicContact CG1-CD2 4.42Å; A420-L424 HydrophobicContact CB-CD1 3.9Å; H422-L424 VanDerWaalsContact C-N 3.32Å; H422-L424 PolarHBondContact O-N 3.23Å; L424-L427 HydrophobicContact CD2-CD1 3.83Å
425L46.2Very low55.7Low81 Ų8150.4 Ų50.442%0.42430%0.295SS..  trans-72.4-18.5167.1-82.1162.2000112.7L427 K428L425-L427 VanDerWaalsContact C-N 3.29Å; L425-L427 PolarHBondContact O-N 3.07Å; L425-K428 HydrophobicContact CD2-CD 4.23Å; L425-K428 PolarHBondContact O-N 3.13Å; L425-K428 VanDerWaalsContact O-N 3.15Å
426L49.9Very low58.2Low40 Ų4046.5 Ų46.521%0.20927%0.273CS..THydrogen-bonded Turntrans-64.2-28.9-175.8-67.2172000113.6S313 I317 K428S313-L426 WeakPolarHBondContact CB-O 3.27Å; S313-L426 PolarHBondContact OG-O 3.4Å; I317-L426 HydrophobicContact CD1-CD2 3.57Å; L426-K428 VanDerWaalsContact C-N 3.34Å
427L52.4Low60.5Low7 Ų745.8 Ų45.84%0.03727%0.269CS..THydrogen-bonded Turntrans-76.7-22.5178.3-67.5174000112.6L309 A413 I416 L424 L425 N429L309-L427 HydrophobicContact CB-CD2 4Å; A413-L427 HydrophobicContact CB-CB 3.7Å; A413-L427 HydrophobicContact CB-CD1 4.15Å; I416-L427 HydrophobicContact CD1-CD1 4.05Å; L424-L427 HydrophobicContact CD2-CD1 3.83Å; L425-L427 VanDerWaalsContact C-N 3.29Å; L425-L427 PolarHBondContact O-N 3.07Å; L427-N429 PolarHBondContact O-N 3.41Å
428K53.9Low63Low104 Ų10443.4 Ų43.445%0.45226%0.257SS..THydrogen-bonded Turntrans-70.6126.1176.2-64.8-169-175.7-178.80108.9I417 L425 L426I417-K428 HydrophobicContact CD1-CD 4.45Å; I417-K428 HydrophobicContact CD1-CG 3.97Å; L425-K428 HydrophobicContact CD2-CD 4.23Å; L425-K428 PolarHBondContact O-N 3.13Å; L425-K428 VanDerWaalsContact O-N 3.15Å; L426-K428 VanDerWaalsContact C-N 3.34Å
429N63.6Low65.7Low41 Ų4141.7 Ų41.722%0.21924%0.235CC..THydrogen-bonded Turntrans72.423.6175.7-44.8-43.5000115.6L427 W431 P432 R433 I548L427-N429 PolarHBondContact O-N 3.41Å; N429-W431 VanDerWaalsContact C-N 3.32Å; N429-W431 PolarHBondContact O-N 3.37Å; N429-P432 HydrophobicContact CB-CG 4.3Å; N429-P432 WeakPolarHBondContact O-CD 3.25Å; N429-R433 WeakPolarHBondContact O-CG 3.49Å; N429-R433 PolarHBondContact O-N 3.17Å; N429-I548 HydrophobicContact CB-CD1 4.2Å; N429-I548 HydrophobicContact CB-CG1 4.06Å; N429-I548 HydrophobicContact CB-CG2 4.06Å
430I75.7Confident68Low3 Ų338.2 Ų38.22%0.01521%0.206CC..Hα-helixtrans-59.9-41.4176.9-166169.5000112.8F312 M409 R433 L434F312-I430 HydrophobicContact CD1-CD1 3.27Å; F312-I430 HydrophobicContact CD1-CG1 4.33Å; F312-I430 HydrophobicContact CE1-CD1 3.54Å; F312-I430 HydrophobicContact CE1-CG1 4.17Å; F312-I430 HydrophobicContact CG-CD1 4.36Å; M409-I430 HydrophobicContact CE-CD1 3.99Å; M409-I430 HydrophobicContact CE-CG2 4.22Å; I430-R433 WeakPolarHBondContact O-CB 3.35Å; I430-R433 PolarHBondContact O-N 3.09Å; I430-L434 PolarHBondContact O-N 3.48Å
431W79.2Confident70.7Confident13 Ų1337.4 Ų37.45%0.04920%0.199CC..Hα-helixtrans-63.8-48.7-178.6-55120.1000113.5T406 M409 N429 R433 L434 V435 L522 L527 I530T406-W431 HydrophobicContact CG2-CH2 3.55Å; T406-W431 HydrophobicContact CG2-CZ2 4.06Å; T406-W431 HydrophobicContact CG2-CZ3 4.44Å; M409-W431 HydrophobicContact CB-CZ2 3.93Å; M409-W431 HydrophobicContact CE-CH2 4.39Å; M409-W431 HydrophobicContact CE-CZ2 4.18Å; M409-W431 HydrophobicContact CG-CZ2 4.05Å; M409-W431 HydrophobicContact SD-CH2 3.56Å; M409-W431 VanDerWaalsContact SD-CH2 3.56Å; M409-W431 HydrophobicContact SD-CZ2 3.45Å; M409-W431 WeakPolarHBondContact SD-CZ2 3.47Å; N429-W431 VanDerWaalsContact C-N 3.32Å; N429-W431 PolarHBondContact O-N 3.37Å; W431-R433 VanDerWaalsContact C-N 3.27Å; W431-R433 PolarHBondContact O-N 3.18Å; W431-L434 HydrophobicContact CE3-CD2 4.04Å; W431-L434 HydrophobicContact CZ3-CD2 4.05Å; W431-L434 PolarHBondContact O-N 2.93Å; W431-V435 WeakPolarHBondContact O-CB 3.43Å; W431-V435 WeakPolarHBondContact O-CG2 3.24Å; W431-V435 PolarHBondContact O-N 3.43Å; W431-L522 HydrophobicContact CE3-CD1 3.8Å; W431-L522 HydrophobicContact CE3-CD2 4.32Å; W431-L522 HydrophobicContact CH2-CD2 3.94Å; W431-L522 HydrophobicContact CZ3-CD1 3.7Å; W431-L522 HydrophobicContact CZ3-CD2 3.6Å; W431-L522 HydrophobicContact CZ3-CG 4.32Å; W431-L527 HydrophobicContact CD2-CD1 4.34Å; W431-L527 HydrophobicContact CE3-CD1 4.47Å; W431-L527 HydrophobicContact CH2-CD1 4.15Å; W431-L527 HydrophobicContact CZ2-CD1 3.97Å; W431-L527 HydrophobicContact CZ2-CD2 4.17Å; W431-L527 HydrophobicContact CZ3-CD1 4.39Å; W431-I530 HydrophobicContact CB-CD1 3.95Å; W431-I530 HydrophobicContact CB-CG1 4.41Å; W431-I530 HydrophobicContact CE3-CD1 4.38Å; W431-I530 HydrophobicContact CG-CD1 4.41Å
432P78.8Confident73Confident28 Ų2832.1 Ų32.118%0.18216%0.162CC..Hα-helixtrans-53-40.2169.7-2830.3000114.5N429 V435 H436 I548N429-P432 HydrophobicContact CB-CG 4.3Å; N429-P432 WeakPolarHBondContact O-CD 3.25Å; P432-V435 PolarHBondContact O-N 3.11Å; P432-H436 PolarHBondContact O-N 3.37Å; P432-H436 VanDerWaalsContact O-N 3.07Å; P432-I548 HydrophobicContact CB-CD1 3.45Å; P432-I548 VanDerWaalsContact CB-CD1 3.45Å; P432-I548 HydrophobicContact CG-CD1 3.26Å
433R80Confident75.3Confident26 Ų2626.1 Ų26.110%0.09814%0.135CC..Hα-helixtrans-68.5-43.9177.3-65.8-171.8-176.7-119.6-0.1111.7V316 N429 I430 W431 V435 H436 V437 Y552V316-R433 HydrophobicContact CG1-CB 3.97Å; N429-R433 WeakPolarHBondContact O-CG 3.49Å; N429-R433 PolarHBondContact O-N 3.17Å; I430-R433 WeakPolarHBondContact O-CB 3.35Å; I430-R433 PolarHBondContact O-N 3.09Å; W431-R433 VanDerWaalsContact C-N 3.27Å; W431-R433 PolarHBondContact O-N 3.18Å; R433-V435 VanDerWaalsContact C-N 3.32Å; R433-V435 PolarHBondContact O-N 3.43Å; R433-H436 WeakPolarHBondContact O-CB 3.36Å; R433-H436 PolarHBondContact O-N 3.05Å; R433-H436 VanDerWaalsContact O-N 3.15Å; R433-V437 PolarHBondContact O-N 3.37Å; R433-Y552 WeakPolarHBondContact CD-OH 3.24Å; R433-Y552 HydrophobicContact CG-CE2 4.04Å; R433-Y552 VanDerWaalsContact CG-OH 3.3Å; R433-Y552 WeakPolarHBondContact CG-OH 3.29Å; R433-Y552 VanDerWaalsContact CZ-CE1 3.49Å; R433-Y552 VanDerWaalsContact NE-CE2 3.3Å; R433-Y552 PolarHBondContact NE-OH 3.26Å; R433-Y552 PolarHBondContact NH1-OH 3.12Å; R433-Y552 VanDerWaalsContact NH2-CD2 3.31Å
434L88.7Confident77.7Confident1 Ų126.4 Ų26.41%0.00513%0.133CC..Hα-helixtrans-60.3-43.5174.2-179.365.6000111.1F312 V316 I430 W431 H436 V437 L438 F518 L522F312-L434 HydrophobicContact CZ-CD2 4.35Å; V316-L434 HydrophobicContact CG1-CB 4.37Å; V316-L434 HydrophobicContact CG2-CD1 4.27Å; I430-L434 PolarHBondContact O-N 3.48Å; W431-L434 HydrophobicContact CE3-CD2 4.04Å; W431-L434 HydrophobicContact CZ3-CD2 4.05Å; W431-L434 PolarHBondContact O-N 2.93Å; L434-H436 VanDerWaalsContact C-N 3.25Å; L434-H436 PolarHBondContact O-N 2.87Å; L434-V437 WeakPolarHBondContact O-CB 3.5Å; L434-V437 PolarHBondContact O-N 2.88Å; L434-V437 VanDerWaalsContact O-N 3.11Å; L434-L438 HydrophobicContact CD1-CG 4.38Å; L434-L438 HydrophobicContact CG-CD1 4.18Å; L434-L438 HydrophobicContact CG-CG 4.29Å; L434-L438 VanDerWaalsContact O-CG 3.3Å; L434-L438 WeakPolarHBondContact O-CG 3.18Å; L434-L438 PolarHBondContact O-N 3.42Å; L434-F518 HydrophobicContact CD2-CD1 4.26Å; L434-F518 HydrophobicContact CD2-CE1 3.76Å; L434-L522 HydrophobicContact CD2-CD1 3.68Å
435V87.1Confident79.7Confident10 Ų1027.7 Ų27.76%0.06115%0.145CC..Hα-helixtrans-56.2-41.4174.4161.90000111.4W431 P432 R433 L438 N439 I530 F539W431-V435 WeakPolarHBondContact O-CB 3.43Å; W431-V435 WeakPolarHBondContact O-CG2 3.24Å; W431-V435 PolarHBondContact O-N 3.43Å; P432-V435 PolarHBondContact O-N 3.11Å; R433-V435 VanDerWaalsContact C-N 3.32Å; R433-V435 PolarHBondContact O-N 3.43Å; V435-L438 PolarHBondContact O-N 2.81Å; V435-N439 WeakPolarHBondContact O-CB 3.18Å; V435-N439 VanDerWaalsContact O-CG 3.24Å; V435-N439 PolarHBondContact O-N 2.96Å; V435-N439 PolarHBondContact O-ND2 3.46Å; V435-I530 HydrophobicContact CG2-CD1 4.22Å; V435-I530 HydrophobicContact CG2-CG1 4.26Å; V435-I530 HydrophobicContact CG2-CG2 3.96Å; V435-F539 HydrophobicContact CB-CB 4.41Å; V435-F539 HydrophobicContact CG1-CB 3.81Å; V435-F539 WeakPolarHBondContact CG1-O 3.24Å; V435-F539 HydrophobicContact CG2-CB 4.13Å
436H86.6Confident82Confident48 Ų4824.9 Ų24.922%0.22213%0.13CC..Hα-helixtrans-65.5-42.3175.6-178104.3000112.5Q320 F337 P432 R433 L434 N439 A440Q320-H436 VanDerWaalsContact CD-CD2 3.5Å; Q320-H436 PolarHBondContact NE2-CD2 3.44Å; Q320-H436 PolarHBondContact NE2-NE2 2.96Å; F337-H436 AromaticContact CD1-CE1 2.93Å; F337-H436 WeakPolarHBondContact CD1-CE1 3.38Å; F337-H436 AromaticContact CD1-ND1 3.76Å; F337-H436 AromaticContact CD1-NE2 3.46Å; F337-H436 WeakPolarHBondContact CD1-NE2 3.38Å; F337-H436 AromaticContact CE1-CD2 3.86Å; F337-H436 AromaticContact CE1-CE1 3.03Å; F337-H436 WeakPolarHBondContact CE1-CE1 3.45Å; F337-H436 AromaticContact CE1-ND1 3.85Å; F337-H436 AromaticContact CE1-NE2 3.03Å; F337-H436 WeakPolarHBondContact CE1-NE2 3.44Å; F337-H436 AromaticContact CG-CE1 3.61Å; F337-H436 AromaticContact CZ-CE1 3.79Å; F337-H436 AromaticContact CZ-NE2 3.38Å; F337-H436 WeakPolarHBondContact CZ-NE2 3.16Å; P432-H436 PolarHBondContact O-N 3.37Å; P432-H436 VanDerWaalsContact O-N 3.07Å; R433-H436 WeakPolarHBondContact O-CB 3.36Å; R433-H436 PolarHBondContact O-N 3.05Å; R433-H436 VanDerWaalsContact O-N 3.15Å; L434-H436 VanDerWaalsContact C-N 3.25Å; L434-H436 PolarHBondContact O-N 2.87Å; H436-N439 PolarHBondContact O-N 3.21Å; H436-A440 WeakPolarHBondContact O-CB 3.44Å; H436-A440 PolarHBondContact O-N 3.39Å
437V91.7Very high84.1Confident1 Ų123 Ų231%0.00612%0.12CC..Hα-helixtrans-59.5-49.3172.5170.70000110.7V316 V319 Q320 I323 L392 R433 L434 N439 A440 L441V316-V437 HydrophobicContact CG1-CG2 4.28Å; V319-V437 HydrophobicContact CG1-CG1 3.92Å; Q320-V437 HydrophobicContact CB-CG2 3.71Å; Q320-V437 HydrophobicContact CG-CG2 4.43Å; I323-V437 HydrophobicContact CD1-CG1 3.92Å; L392-V437 HydrophobicContact CD2-CG1 4.1Å; R433-V437 PolarHBondContact O-N 3.37Å; L434-V437 WeakPolarHBondContact O-CB 3.5Å; L434-V437 PolarHBondContact O-N 2.88Å; L434-V437 VanDerWaalsContact O-N 3.11Å; V437-N439 VanDerWaalsContact C-N 3.31Å; V437-N439 PolarHBondContact O-N 3.35Å; V437-A440 WeakPolarHBondContact O-CB 3.41Å; V437-A440 PolarHBondContact O-N 3.09Å; V437-A440 VanDerWaalsContact O-N 3.07Å; V437-L441 WeakPolarHBondContact O-CG 3.39Å; V437-L441 PolarHBondContact O-N 2.91Å
438L93.5Very high86Confident3 Ų323.3 Ų23.32%0.01612%0.124CC..Hα-helixtrans-60.4-39.7-179.9-67.6176.2000112.5L434 V435 A440 L441 L515 L516 F539L434-L438 HydrophobicContact CD1-CG 4.38Å; L434-L438 HydrophobicContact CG-CD1 4.18Å; L434-L438 HydrophobicContact CG-CG 4.29Å; L434-L438 VanDerWaalsContact O-CG 3.3Å; L434-L438 WeakPolarHBondContact O-CG 3.18Å; L434-L438 PolarHBondContact O-N 3.42Å; V435-L438 PolarHBondContact O-N 2.81Å; L438-A440 VanDerWaalsContact C-N 3.31Å; L438-L441 PolarHBondContact O-N 3.27Å; L438-L515 HydrophobicContact CD2-CB 4.05Å; L438-L515 VanDerWaalsContact CD2-O 3.25Å; L438-L515 WeakPolarHBondContact CD2-O 3.39Å; L438-L516 HydrophobicContact CB-CD2 4.42Å; L438-L516 HydrophobicContact CD2-CD2 4.45Å; L438-F539 HydrophobicContact CB-CD2 3.85Å; L438-F539 HydrophobicContact CB-CE2 4.12Å; L438-F539 HydrophobicContact CD1-CD2 4.18Å; L438-F539 HydrophobicContact CD1-CE2 4.22Å; L438-F539 HydrophobicContact CD1-CG 4.48Å
439N92.4Very high87.9Confident61 Ų6122.6 Ų22.633%0.32612%0.121SC..Hα-helixtrans-75.5-17.6177.1-71.4-18.9000113.7V435 H436 V437 F539V435-N439 WeakPolarHBondContact O-CB 3.18Å; V435-N439 VanDerWaalsContact O-CG 3.24Å; V435-N439 PolarHBondContact O-N 2.96Å; V435-N439 PolarHBondContact O-ND2 3.46Å; H436-N439 PolarHBondContact O-N 3.21Å; V437-N439 VanDerWaalsContact C-N 3.31Å; V437-N439 PolarHBondContact O-N 3.35Å; N439-F539 PolarHBondContact ND2-O 3.02Å; N439-F539 PolarHBondContact OD1-N 2.73Å
440A91.6Very high89.4Confident8 Ų820.6 Ų20.67%0.06611%0.11CC..Hα-helixtrans-79.8-25.3173.500000111.8I323 Y327 H436 V437 L438I323-A440 HydrophobicContact CG2-CB 3.98Å; Y327-A440 WeakPolarHBondContact CE2-O 3.31Å; Y327-A440 PolarHBondContact OH-O 3.11Å; H436-A440 WeakPolarHBondContact O-CB 3.44Å; H436-A440 PolarHBondContact O-N 3.39Å; V437-A440 WeakPolarHBondContact O-CB 3.41Å; V437-A440 PolarHBondContact O-N 3.09Å; V437-A440 VanDerWaalsContact O-N 3.07Å; L438-A440 VanDerWaalsContact C-N 3.31Å
441L94.9Very high90.2Very high2 Ų221.1 Ų21.11%0.0112%0.115CC..SBendtrans-72.3155.6174.2-58.1174.7000111I323 L383 L389 V437 L438 N443 I512 L515I323-L441 HydrophobicContact CD1-CD2 3.92Å; L383-L441 HydrophobicContact CD1-CD2 3.67Å; L389-L441 HydrophobicContact CD2-CD2 4.37Å; V437-L441 WeakPolarHBondContact O-CG 3.39Å; V437-L441 PolarHBondContact O-N 2.91Å; L438-L441 PolarHBondContact O-N 3.27Å; L441-N443 PolarHBondContact O-N 2.88Å; L441-I512 HydrophobicContact CB-CG2 3.92Å; L441-I512 HydrophobicContact CD1-CG1 4.44Å; L441-I512 HydrophobicContact CD1-CG2 4.2Å; L441-I512 HydrophobicContact CD2-CD1 4.34Å; L441-I512 HydrophobicContact CD2-CG1 4.34Å; L441-L515 HydrophobicContact CD1-CB 4.2Å; L441-L515 HydrophobicContact CD1-CD1 3.9Å
442P94.2Very high90.9Very high0 Ų028.6 Ų28.60%015%0.148CC..PPolyproline II helixtrans-51.4123.5168.9-28.236.9000111.9T376 K379 L380 E446 L447 I512 L516T376-P442 HydrophobicContact CG2-CB 3.98Å; T376-P442 HydrophobicContact CG2-CG 4.38Å; K379-P442 HydrophobicContact CB-CG 3.94Å; K379-P442 HydrophobicContact CD-CG 4.26Å; L380-P442 HydrophobicContact CD2-CG 4.14Å; L380-P442 HydrophobicContact CG-CG 4.3Å; P442-E446 WeakPolarHBondContact CA-OE2 3.19Å; P442-E446 HydrophobicContact CB-CB 4.32Å; P442-L447 HydrophobicContact CB-CD2 3.95Å; P442-L447 HydrophobicContact CB-CG 4.16Å; P442-I512 HydrophobicContact CG-CD1 4.38Å; P442-L516 WeakPolarHBondContact O-CD1 3.46Å
443N92.7Very high91.5Very high38 Ų3828.2 Ų28.220%0.20315%0.147CC..PPolyproline II helixtrans-75.3172.4-177.36955.9000112.3L441 A445 E446 L447 C537L441-N443 PolarHBondContact O-N 2.88Å; N443-A445 VanDerWaalsContact C-N 3.27Å; N443-A445 PolarHBondContact O-N 3.49Å; N443-A445 WeakPolarHBondContact OD1-CA 3.45Å; N443-A445 WeakPolarHBondContact OD1-CB 3.31Å; N443-A445 PolarHBondContact OD1-N 3.32Å; N443-E446 VanDerWaalsContact CG-OE2 3.31Å; N443-E446 PolarHBondContact N-OE2 3.11Å; N443-E446 PolarHBondContact ND2-OE2 2.95Å; N443-E446 PolarHBondContact O-N 3.41Å; N443-E446 PolarHBondContact OD1-N 3.31Å; N443-L447 VanDerWaalsContact O-CG 3.3Å; N443-L447 WeakPolarHBondContact O-CG 3.23Å; N443-L447 PolarHBondContact O-N 3.29Å; N443-C537 HydrophobicContact CB-CB 4.2Å
444E91Very high91.8Very high28 Ų2832.9 Ų32.913%0.13118%0.181CC..Hα-helixtrans-55.9-38.5-177.7-178.4172.2-177.400113.8A448 T468 P469 L470E444-A448 VanDerWaalsContact O-CB 3.27Å; E444-A448 WeakPolarHBondContact O-CB 3.25Å; E444-A448 PolarHBondContact O-N 3.13Å; E444-T468 HydrophobicContact CG-CG2 3.94Å; E444-T468 WeakPolarHBondContact OE1-CB 3.36Å; E444-T468 WeakPolarHBondContact OE1-CG2 3.47Å; E444-P469 WeakPolarHBondContact OE1-CA 3.49Å; E444-L470 HydrophobicContact CB-CD1 3.96Å; E444-L470 HydrophobicContact CB-CG 4.42Å; E444-L470 HydrophobicContact CG-CB 4.36Å; E444-L470 HydrophobicContact CG-CD1 3.98Å; E444-L470 HydrophobicContact CG-CG 3.92Å; E444-L470 PolarHBondContact OE1-N 3.46Å
445A90.9Very high91.7Very high39 Ų3940.1 Ų40.132%0.32222%0.219SC..Hα-helixtrans-71.9-41.8179.800000111.7N443 A448 K449N443-A445 VanDerWaalsContact C-N 3.27Å; N443-A445 PolarHBondContact O-N 3.49Å; N443-A445 WeakPolarHBondContact OD1-CA 3.45Å; N443-A445 WeakPolarHBondContact OD1-CB 3.31Å; N443-A445 PolarHBondContact OD1-N 3.32Å; A445-A448 PolarHBondContact O-N 2.83Å; A445-K449 VanDerWaalsContact O-CG 3.32Å; A445-K449 WeakPolarHBondContact O-CG 3.35Å; A445-K449 PolarHBondContact O-N 3.2Å
446E93.1Very high91.8Very high21 Ų2141.2 Ų41.210%0.09823%0.226CC..Hα-helixtrans-58.9-48.7173.3-74173.6132.400110.5T376 K379 P442 N443 A448 K449 V450T376-E446 HydrophobicContact CG2-CB 3.8Å; K379-E446 IonicContact NZ-OE1 2.56Å; K379-E446 PolarHBondContact NZ-OE1 3.44Å; K379-E446 IonicContact NZ-OE2 2.8Å; P442-E446 WeakPolarHBondContact CA-OE2 3.19Å; P442-E446 HydrophobicContact CB-CB 4.32Å; N443-E446 VanDerWaalsContact CG-OE2 3.31Å; N443-E446 PolarHBondContact N-OE2 3.11Å; N443-E446 PolarHBondContact ND2-OE2 2.95Å; N443-E446 PolarHBondContact O-N 3.41Å; N443-E446 PolarHBondContact OD1-N 3.31Å; E446-A448 PolarHBondContact O-N 2.92Å; E446-K449 WeakPolarHBondContact O-CB 3.47Å; E446-K449 PolarHBondContact O-N 2.73Å; E446-V450 PolarHBondContact O-N 3.42Å; E446-V450 VanDerWaalsContact O-N 3.13Å
447L94.2Very high92.1Very high0 Ų041.7 Ų41.70%023%0.233CC..Hα-helixtrans-62.2-41.9177.8-66.2170000112.3L380 P442 N443 K449 V450 A451 F466 L470 F509 I512 L516L380-L447 HydrophobicContact CD2-CD2 4.38Å; P442-L447 HydrophobicContact CB-CD2 3.95Å; P442-L447 HydrophobicContact CB-CG 4.16Å; N443-L447 VanDerWaalsContact O-CG 3.3Å; N443-L447 WeakPolarHBondContact O-CG 3.23Å; N443-L447 PolarHBondContact O-N 3.29Å; L447-K449 VanDerWaalsContact C-N 3.31Å; L447-K449 PolarHBondContact O-N 3.4Å; L447-V450 PolarHBondContact O-N 2.87Å; L447-A451 WeakPolarHBondContact O-CB 3.44Å; L447-A451 PolarHBondContact O-N 2.96Å; L447-F466 HydrophobicContact CB-CE2 4.25Å; L447-F466 HydrophobicContact CB-CZ 4.22Å; L447-L470 HydrophobicContact CD1-CD1 4.24Å; L447-F509 HydrophobicContact CB-CE2 3.9Å; L447-F509 HydrophobicContact CD2-CD2 3.53Å; L447-F509 HydrophobicContact CD2-CE2 3.61Å; L447-F509 HydrophobicContact CG-CE2 4.31Å; L447-I512 HydrophobicContact CD1-CG2 4.05Å; L447-L516 HydrophobicContact CD1-CD1 3.64Å
448A93.4Very high92.1Very high14 Ų1442.1 Ų42.112%0.11624%0.236CC..Hα-helixtrans-65.9-32.3178.300000113E444 A445 E446 K452 F466 T468E444-A448 VanDerWaalsContact O-CB 3.27Å; E444-A448 WeakPolarHBondContact O-CB 3.25Å; E444-A448 PolarHBondContact O-N 3.13Å; A445-A448 PolarHBondContact O-N 2.83Å; E446-A448 PolarHBondContact O-N 2.92Å; A448-K452 WeakPolarHBondContact O-CD 3.49Å; A448-K452 VanDerWaalsContact O-CG 3.28Å; A448-K452 WeakPolarHBondContact O-CG 3.42Å; A448-K452 PolarHBondContact O-N 3.29Å; A448-F466 HydrophobicContact CB-CE1 4.16Å; A448-F466 HydrophobicContact CB-CZ 4.14Å; A448-T468 HydrophobicContact CB-CG2 4.09Å
449K93.2Very high92Very high89 Ų8942.9 Ų42.939%0.38724%0.242SC..Hα-helixtrans-66.9-48.3173.2-72.7170.4177.3175.90110.8D372 V373 A445 E446 L447 A451 K452 A453D372-K449 IonicContact OD2-NZ 3.78Å; D372-K449 PolarHBondContact OD2-NZ 3.4Å; V373-K449 HydrophobicContact CG2-CB 4.02Å; A445-K449 VanDerWaalsContact O-CG 3.32Å; A445-K449 WeakPolarHBondContact O-CG 3.35Å; A445-K449 PolarHBondContact O-N 3.2Å; E446-K449 WeakPolarHBondContact O-CB 3.47Å; E446-K449 PolarHBondContact O-N 2.73Å; L447-K449 VanDerWaalsContact C-N 3.31Å; L447-K449 PolarHBondContact O-N 3.4Å; K449-A451 VanDerWaalsContact C-N 3.33Å; K449-A451 PolarHBondContact O-N 3.41Å; K449-K452 PolarHBondContact O-N 2.91Å; K449-A453 PolarHBondContact O-N 3.47Å; K449-A453 VanDerWaalsContact O-N 3.08Å
450V94Very high92Very high0 Ų047.6 Ų47.60%026%0.26CS..Hα-helixtrans-61.2-40.1177.4177.40000111.9V373 T376 I377 L380 E446 L447 K452 A453 T456 L458V373-V450 HydrophobicContact CG1-CG2 4.27Å; T376-V450 HydrophobicContact CG2-CG2 3.45Å; T376-V450 VanDerWaalsContact CG2-CG2 3.45Å; I377-V450 HydrophobicContact CG1-CG1 4.09Å; I377-V450 HydrophobicContact CG1-CG2 4.15Å; L380-V450 HydrophobicContact CD1-CG1 4.38Å; E446-V450 PolarHBondContact O-N 3.42Å; E446-V450 VanDerWaalsContact O-N 3.13Å; L447-V450 PolarHBondContact O-N 2.87Å; V450-K452 VanDerWaalsContact C-N 3.29Å; V450-K452 PolarHBondContact O-N 3.23Å; V450-A453 PolarHBondContact O-N 3.34Å; V450-T456 WeakPolarHBondContact O-CB 3.27Å; V450-T456 PolarHBondContact O-OG1 3.31Å; V450-L458 HydrophobicContact CG1-CD1 3.76Å; V450-L458 HydrophobicContact CG1-CG 4.22Å
451A93.7Very high92Very high14 Ų1450.2 Ų50.212%0.11627%0.271CS..Hα-helixtrans-68.1-25.317900000113.7L447 K449 V463 F466 F509L447-A451 WeakPolarHBondContact O-CB 3.44Å; L447-A451 PolarHBondContact O-N 2.96Å; K449-A451 VanDerWaalsContact C-N 3.33Å; K449-A451 PolarHBondContact O-N 3.41Å; A451-V463 HydrophobicContact CB-CG1 4.43Å; A451-V463 WeakPolarHBondContact O-CG1 3.49Å; A451-F466 HydrophobicContact CB-CD1 3.68Å; A451-F466 HydrophobicContact CB-CE1 3.89Å; A451-F509 HydrophobicContact CB-CZ 4.14Å
452K92.9Very high91.8Very high169 Ų16950.1 Ų50.174%0.73527%0.27SS*.Hα-helixtrans-94.7-13.1179.2-70.2173.5-174.5173.50113.6A448 K449 V450A448-K452 WeakPolarHBondContact O-CD 3.49Å; A448-K452 VanDerWaalsContact O-CG 3.28Å; A448-K452 WeakPolarHBondContact O-CG 3.42Å; A448-K452 PolarHBondContact O-N 3.29Å; K449-K452 PolarHBondContact O-N 2.91Å; V450-K452 VanDerWaalsContact C-N 3.29Å; V450-K452 PolarHBondContact O-N 3.23Å
453A91.7Very high91.7Very high21 Ų2152 Ų5217%0.17428%0.282CS..  trans-64.3133.3-178.600000110.7V373 K449 V450 D455 T456V373-A453 HydrophobicContact CG1-CB 4.08Å; K449-A453 PolarHBondContact O-N 3.47Å; K449-A453 VanDerWaalsContact O-N 3.08Å; V450-A453 PolarHBondContact O-N 3.34Å; A453-D455 VanDerWaalsContact C-N 3.26Å; A453-D455 PolarHBondContact O-N 2.84Å; A453-T456 WeakPolarHBondContact O-CB 3.39Å; A453-T456 PolarHBondContact O-N 3.15Å
454P85.9Confident91.7Very high124 Ų12457.5 Ų57.581%0.80531%0.306SS*.THydrogen-bonded Turntrans-63.1-32.1-177.223.7-32.8000113.1
455D86.8Confident91.8Very high152 Ų15257.3 Ų57.381%0.81331%0.306SS*.THydrogen-bonded Turntrans-10531.2-178.5-58.6-42.1000112.1A453A453-D455 VanDerWaalsContact C-N 3.26Å; A453-D455 PolarHBondContact O-N 2.84Å
456T90.2Very high91.9Very high33 Ų3356.7 Ų56.720%0.20230%0.296CS..  trans-62.2132.2179.6-169.50000111V450 A453 L458 V463V450-T456 WeakPolarHBondContact O-CB 3.27Å; V450-T456 PolarHBondContact O-OG1 3.31Å; A453-T456 WeakPolarHBondContact O-CB 3.39Å; A453-T456 PolarHBondContact O-N 3.15Å; T456-L458 HydrophobicContact CG2-CB 4.41Å; T456-L458 PolarHBondContact O-N 3.18Å; T456-L458 WeakPolarHBondContact OG1-CG 3.22Å; T456-V463 HydrophobicContact CG2-CG2 4.33Å
457P92.2Very high91.8Very high58 Ų5858.9 Ų58.938%0.37731%0.314SS..  trans-73.2-5176.831.4-36.7000112.7I377 L505I377-P457 HydrophobicContact CD1-CG 4.18Å; I377-P457 HydrophobicContact CG1-CG 4.38Å; I377-P457 HydrophobicContact CG2-CG 4.16Å; P457-L505 HydrophobicContact CB-CD2 3.83Å; P457-L505 HydrophobicContact CG-CD2 3.55Å
458L92.9Very high91.4Very high11 Ų1162.1 Ų62.16%0.05833%0.334CS..SBendtrans-72.1143.6-177.2-58.7179000112V450 T456 V463 L505 F509V450-L458 HydrophobicContact CG1-CD1 3.76Å; V450-L458 HydrophobicContact CG1-CG 4.22Å; T456-L458 HydrophobicContact CG2-CB 4.41Å; T456-L458 PolarHBondContact O-N 3.18Å; T456-L458 WeakPolarHBondContact OG1-CG 3.22Å; L458-V463 HydrophobicContact CB-CG2 3.86Å; L458-V463 HydrophobicContact CD1-CG2 4.31Å; L458-L505 HydrophobicContact CD2-CD2 4.21Å; L458-L505 HydrophobicContact CD2-CG 4.11Å; L458-F509 HydrophobicContact CD1-CB 4.47Å; L458-F509 HydrophobicContact CD1-CD1 4.03Å; L458-F509 HydrophobicContact CD1-CD2 3.7Å; L458-F509 HydrophobicContact CD1-CE1 4.15Å; L458-F509 HydrophobicContact CD1-CE2 3.84Å; L458-F509 HydrophobicContact CD1-CG 3.81Å; L458-F509 HydrophobicContact CD1-CZ 4.08Å; L458-F509 HydrophobicContact CD2-CB 3.91Å; L458-F509 HydrophobicContact CD2-CD2 4.49Å; L458-F509 HydrophobicContact CD2-CG 4.15Å
459A91.4Very high91.2Very high18 Ų1864.5 Ų64.515%0.14935%0.348CS..  trans-59.7140.7171.800000110.9E461 A462 V463 S506A459-E461 PolarHBondContact O-N 3.05Å; A459-A462 HydrophobicContact CB-CB 4.45Å; A459-A462 WeakPolarHBondContact O-CB 3.41Å; A459-A462 PolarHBondContact O-N 3.21Å; A459-V463 PolarHBondContact O-N 3.32Å; A459-V463 VanDerWaalsContact O-N 3.16Å; A459-S506 WeakPolarHBondContact CB-OG 3.35Å; A459-S506 PolarHBondContact N-OG 3.46Å
460K91.7Very high90.9Very high161 Ų16160.3 Ų60.370%0.733%0.33SS*.Hα-helixtrans-56.9-38.3-178.1-70-179.5179.7176.80111.9A462 V463 Q464K460-A462 VanDerWaalsContact C-N 3.33Å; K460-A462 PolarHBondContact O-N 3.32Å; K460-V463 PolarHBondContact O-N 3.16Å; K460-Q464 VanDerWaalsContact O-CG 3.28Å; K460-Q464 WeakPolarHBondContact O-CG 3.37Å; K460-Q464 PolarHBondContact O-N 3.22Å
461E90.2Very high90.5Very high63 Ų6363.1 Ų63.129%0.29435%0.35SS..Hα-helixtrans-64.8-37.9178.9-62.972.3-15500111.3A459 Q464 L465 R498 S501 F502A459-E461 PolarHBondContact O-N 3.05Å; E461-Q464 PolarHBondContact O-N 3.26Å; E461-L465 VanDerWaalsContact O-CG 3.27Å; E461-L465 WeakPolarHBondContact O-CG 3.42Å; E461-L465 PolarHBondContact O-N 2.88Å; E461-L465 VanDerWaalsContact O-N 3.16Å; E461-R498 HydrophobicContact CB-CG 4.49Å; E461-R498 HydrophobicContact CG-CG 4.21Å; E461-S501 WeakPolarHBondContact CG-OG 3.41Å; E461-S501 PolarHBondContact OE2-OG 3.34Å; E461-F502 HydrophobicContact CB-CE1 3.81Å
462A91.5Very high89.9Confident0 Ų068.5 Ų68.50%038%0.376CS..Hα-helixtrans-69.2-40.8178.100000111.8A459 K460 Q464 L465 F466 F502 L510A459-A462 HydrophobicContact CB-CB 4.45Å; A459-A462 WeakPolarHBondContact O-CB 3.41Å; A459-A462 PolarHBondContact O-N 3.21Å; K460-A462 VanDerWaalsContact C-N 3.33Å; K460-A462 PolarHBondContact O-N 3.32Å; A462-Q464 VanDerWaalsContact C-N 3.33Å; A462-Q464 PolarHBondContact O-N 3.45Å; A462-L465 PolarHBondContact O-N 2.83Å; A462-F466 PolarHBondContact O-N 2.84Å; A462-F502 HydrophobicContact CB-CD1 4.17Å; A462-F502 HydrophobicContact CB-CE1 4.17Å; A462-L510 HydrophobicContact CB-CD1 4.01Å; A462-L510 HydrophobicContact CB-CG 4.21Å
463V93.2Very high89.7Confident40 Ų4061 Ų6124%0.24234%0.343CS..Hα-helixtrans-62.5-40.4174.5177.80000111.3A451 T456 L458 A459 K460 L465 F466A451-V463 HydrophobicContact CB-CG1 4.43Å; A451-V463 WeakPolarHBondContact O-CG1 3.49Å; T456-V463 HydrophobicContact CG2-CG2 4.33Å; L458-V463 HydrophobicContact CB-CG2 3.86Å; L458-V463 HydrophobicContact CD1-CG2 4.31Å; A459-V463 PolarHBondContact O-N 3.32Å; A459-V463 VanDerWaalsContact O-N 3.16Å; K460-V463 PolarHBondContact O-N 3.16Å; V463-L465 VanDerWaalsContact C-N 3.28Å; V463-L465 PolarHBondContact O-N 3.46Å; V463-F466 PolarHBondContact O-N 3.45Å
464Q92.8Very high89.4Confident152 Ų15266.3 Ų66.371%0.7137%0.368SS*.Hα-helixtrans-65.5-28.6177-73.9172.213.300113.7K460 E461 A462K460-Q464 VanDerWaalsContact O-CG 3.28Å; K460-Q464 WeakPolarHBondContact O-CG 3.37Å; K460-Q464 PolarHBondContact O-N 3.22Å; E461-Q464 PolarHBondContact O-N 3.26Å; A462-Q464 VanDerWaalsContact C-N 3.33Å; A462-Q464 PolarHBondContact O-N 3.45Å
465L92Very high89.6Confident24 Ų2461.5 Ų61.513%0.12634%0.335CS..Hα-helixtrans-81-17.3177.7-70.4171.9000113E461 A462 V463 W473 V477 F502 L510E461-L465 VanDerWaalsContact O-CG 3.27Å; E461-L465 WeakPolarHBondContact O-CG 3.42Å; E461-L465 PolarHBondContact O-N 2.88Å; E461-L465 VanDerWaalsContact O-N 3.16Å; A462-L465 PolarHBondContact O-N 2.83Å; V463-L465 VanDerWaalsContact C-N 3.28Å; V463-L465 PolarHBondContact O-N 3.46Å; L465-W473 PolarHBondContact O-NE1 3.41Å; L465-V477 HydrophobicContact CD1-CB 3.89Å; L465-V477 HydrophobicContact CD1-CG1 4.46Å; L465-V477 HydrophobicContact CD1-CG2 3.81Å; L465-V477 HydrophobicContact CD2-CB 4.42Å; L465-V477 HydrophobicContact CD2-CG2 3.6Å; L465-V477 HydrophobicContact CG-CG2 4.38Å; L465-F502 HydrophobicContact CD1-CE1 4.12Å; L465-F502 HydrophobicContact CD1-CZ 3.53Å; L465-L510 HydrophobicContact CB-CD2 4.14Å; L465-L510 HydrophobicContact CD1-CD1 4.12Å
466F93Very high89.6Confident26 Ų2657.8 Ų57.811%0.11432%0.318CS..  trans-83.9137.1179.2173.6-102.1000112L447 A448 A451 A462 V463 T468 L470 F509 C513L447-F466 HydrophobicContact CB-CE2 4.25Å; L447-F466 HydrophobicContact CB-CZ 4.22Å; A448-F466 HydrophobicContact CB-CE1 4.16Å; A448-F466 HydrophobicContact CB-CZ 4.14Å; A451-F466 HydrophobicContact CB-CD1 3.68Å; A451-F466 HydrophobicContact CB-CE1 3.89Å; A462-F466 PolarHBondContact O-N 2.84Å; V463-F466 PolarHBondContact O-N 3.45Å; F466-T468 HydrophobicContact CE1-CG2 3.93Å; F466-T468 HydrophobicContact CE2-CG2 4.41Å; F466-T468 HydrophobicContact CZ-CG2 3.56Å; F466-L470 HydrophobicContact CD2-CD2 4.3Å; F466-L470 HydrophobicContact CE2-CD2 3.87Å; F466-L470 HydrophobicContact CE2-CG 4.38Å; F466-F509 HydrophobicContact CB-CE1 3.75Å; F466-F509 HydrophobicContact CB-CZ 3.95Å; F466-F509 HydrophobicContact CD1-CZ 4.16Å; F466-F509 HydrophobicContact CD2-CE1 4.1Å; F466-F509 AromaticContact CD2-CZ 3.7Å; F466-F509 HydrophobicContact CD2-CZ 3.7Å; F466-F509 HydrophobicContact CE2-CZ 4.2Å; F466-F509 AromaticContact CG-CE1 3.98Å; F466-F509 HydrophobicContact CG-CE1 3.98Å; F466-F509 AromaticContact CG-CZ 3.66Å; F466-F509 HydrophobicContact CG-CZ 3.66Å; F466-C513 VanDerWaalsContact CD2-SG 3.54Å
467S91.3Very high89.5Confident68 Ų6856.4 Ų56.448%0.47631%0.31SS..  trans-150.8151.416957.90000111.1
468T86.5Confident89.3Confident68 Ų6853.7 Ų53.742%0.41729%0.292SS..SBendtrans-108.8144.8173.457.40000109.5E444 A448 F466E444-T468 HydrophobicContact CG-CG2 3.94Å; E444-T468 WeakPolarHBondContact OE1-CB 3.36Å; E444-T468 WeakPolarHBondContact OE1-CG2 3.47Å; A448-T468 HydrophobicContact CB-CG2 4.09Å; F466-T468 HydrophobicContact CE1-CG2 3.93Å; F466-T468 HydrophobicContact CE2-CG2 4.41Å; F466-T468 HydrophobicContact CZ-CG2 3.56Å
469P87.5Confident89.2Confident64 Ų6453.2 Ų53.242%0.41629%0.289SS..  cis-78.4140.87.430.8-35000113.7E444 S471 N472 W473E444-P469 WeakPolarHBondContact OE1-CA 3.49Å; P469-S471 PolarHBondContact O-N 2.88Å; P469-S471 VanDerWaalsContact O-N 3.13Å; P469-N472 HydrophobicContact CG-CB 4.36Å; P469-N472 PolarHBondContact O-N 3.5Å; P469-W473 PolarHBondContact O-N 3.05Å
470L88.3Confident89Confident0 Ų055.2 Ų55.20%030%0.301CS..G310 helixtrans-61.2-22.2177.7-78.5-177.4000112.9E444 L447 F466 N472 W473 C513 L516 S517E444-L470 HydrophobicContact CB-CD1 3.96Å; E444-L470 HydrophobicContact CB-CG 4.42Å; E444-L470 HydrophobicContact CG-CB 4.36Å; E444-L470 HydrophobicContact CG-CD1 3.98Å; E444-L470 HydrophobicContact CG-CG 3.92Å; E444-L470 PolarHBondContact OE1-N 3.46Å; L447-L470 HydrophobicContact CD1-CD1 4.24Å; F466-L470 HydrophobicContact CD2-CD2 4.3Å; F466-L470 HydrophobicContact CE2-CD2 3.87Å; F466-L470 HydrophobicContact CE2-CG 4.38Å; L470-N472 PolarHBondContact O-N 3.15Å; L470-W473 HydrophobicContact CD2-CB 3.8Å; L470-W473 HydrophobicContact CD2-CD2 4.21Å; L470-W473 HydrophobicContact CD2-CG 3.88Å; L470-W473 WeakPolarHBondContact O-CB 3.47Å; L470-W473 PolarHBondContact O-N 3.35Å; L470-W473 VanDerWaalsContact O-N 3.09Å; L470-C513 HydrophobicContact CD2-CB 3.98Å; L470-L516 HydrophobicContact CD1-CB 3.94Å; L470-L516 HydrophobicContact CD1-CD1 3.77Å; L470-S517 PolarHBondContact O-OG 3.37Å
471S84.2Confident88.8Confident60 Ų6047.7 Ų47.742%0.4227%0.268SS..G310 helixtrans-59.9-23.7172.269.20000114.4P469P469-S471 PolarHBondContact O-N 2.88Å; P469-S471 VanDerWaalsContact O-N 3.13Å
472N80.9Confident88.8Confident127 Ų12744.8 Ų44.868%0.67926%0.255SS*.G310 helixtrans-109.1-2.5177.4-63.1-15000112P469 L470P469-N472 HydrophobicContact CG-CB 4.36Å; P469-N472 PolarHBondContact O-N 3.5Å; L470-N472 PolarHBondContact O-N 3.15Å
473W88.9Confident88.2Confident10 Ų1045.6 Ų45.64%0.03826%0.259CS..  trans-78.3132.3-177.8-176.188.8000110.1L465 P469 L470 Q475 L510 C513 S517L465-W473 PolarHBondContact O-NE1 3.41Å; P469-W473 PolarHBondContact O-N 3.05Å; L470-W473 HydrophobicContact CD2-CB 3.8Å; L470-W473 HydrophobicContact CD2-CD2 4.21Å; L470-W473 HydrophobicContact CD2-CG 3.88Å; L470-W473 WeakPolarHBondContact O-CB 3.47Å; L470-W473 PolarHBondContact O-N 3.35Å; L470-W473 VanDerWaalsContact O-N 3.09Å; W473-Q475 HydrophobicContact CH2-CB 3.66Å; W473-Q475 HydrophobicContact CH2-CG 4.24Å; W473-Q475 HydrophobicContact CZ2-CB 4.47Å; W473-Q475 HydrophobicContact CZ3-CB 3.88Å; W473-L510 HydrophobicContact CZ2-CD2 4.2Å; W473-C513 HydrophobicContact CD2-CB 4.43Å; W473-C513 HydrophobicContact CE3-CB 4.22Å; W473-C513 HydrophobicContact CH2-CB 3.96Å; W473-C513 HydrophobicContact CZ2-CB 4.2Å; W473-C513 HydrophobicContact CZ3-CB 3.99Å; W473-S517 PolarHBondContact O-OG 3.38Å
474L85.3Confident87.3Confident134 Ų13445.4 Ų45.470%0.70226%0.257SS*.  trans-124135174.3-66.8170.6000108.3T476L474-T476 PolarHBondContact O-N 2.77Å
475Q90.1Very high86.8Confident23 Ų2338.2 Ų38.211%0.10722%0.223CC..  trans-64.2119.4169.7-177.2-174.7-29.600108.8W473 V477 D482 F493W473-Q475 HydrophobicContact CH2-CB 3.66Å; W473-Q475 HydrophobicContact CH2-CG 4.24Å; W473-Q475 HydrophobicContact CZ2-CB 4.47Å; W473-Q475 HydrophobicContact CZ3-CB 3.88Å; Q475-V477 WeakPolarHBondContact CG-O 3.39Å; Q475-V477 PolarHBondContact NE2-O 3.09Å; Q475-D482 PolarHBondContact NE2-OD2 3.39Å; Q475-F493 HydrophobicContact CB-CD1 4.33Å; Q475-F493 HydrophobicContact CB-CE1 3.86Å; Q475-F493 HydrophobicContact CG-CD1 4.06Å; Q475-F493 HydrophobicContact CG-CE1 3.9Å; Q475-F493 WeakPolarHBondContact O-CD1 3.05Å
476T88.3Confident85.8Confident74 Ų7440 Ų4045%0.45423%0.229SC..  trans-102.9-2418052.20000113L474 I494L474-T476 PolarHBondContact O-N 2.77Å; T476-I494 PolarHBondContact O-N 3.14Å
477V87.8Confident84.7Confident4 Ų441.3 Ų41.32%0.02424%0.244CC..BIsolated β-bridgetrans-114.1139.3-178-1800000109.5L465 Q475 I494 R498 V499 F502L465-V477 HydrophobicContact CD1-CB 3.89Å; L465-V477 HydrophobicContact CD1-CG1 4.46Å; L465-V477 HydrophobicContact CD1-CG2 3.81Å; L465-V477 HydrophobicContact CD2-CB 4.42Å; L465-V477 HydrophobicContact CD2-CG2 3.6Å; L465-V477 HydrophobicContact CG-CG2 4.38Å; Q475-V477 WeakPolarHBondContact CG-O 3.39Å; Q475-V477 PolarHBondContact NE2-O 3.09Å; V477-I494 CarbonylContact C-O 3.54Å; V477-I494 VanDerWaalsContact CA-O 3.27Å; V477-I494 WeakPolarHBondContact CA-O 3.15Å; V477-R498 HydrophobicContact CG1-CB 4.41Å; V477-R498 VanDerWaalsContact CG2-NH2 3.29Å; V477-V499 HydrophobicContact CG1-CG2 3.82Å; V477-F502 HydrophobicContact CG1-CE2 4.04Å; V477-F502 HydrophobicContact CG1-CZ 4.22Å
478A88Confident84.2Confident0 Ų038.7 Ų38.70%023%0.226CC..  trans-61.9136.5177.200000111W82 D482 F493 I494 C495 V499W82-A478 HydrophobicContact CH2-CB 3.46Å; W82-A478 VanDerWaalsContact CH2-CB 3.46Å; W82-A478 HydrophobicContact CZ2-CB 3.65Å; W82-A478 HydrophobicContact CZ3-CB 4.17Å; A478-D482 HydrophobicContact CB-CB 4.06Å; A478-F493 HydrophobicContact CB-CB 4.14Å; A478-I494 PolarHBondContact N-O 3.02Å; A478-C495 HydrophobicContact CB-CB 3.99Å; A478-V499 HydrophobicContact CB-CG2 4.24Å; A478-V499 VanDerWaalsContact O-CG2 3.28Å; A478-V499 WeakPolarHBondContact O-CG2 3.31Å
479L90.3Very high83.7Confident1 Ų135.9 Ų35.91%0.00521%0.208CC..  trans-85.4164.1164.6-63.8-178.4000109.7E481 D482 V483 F502 L510 R511L479-E481 HydrophobicContact CB-CG 4.48Å; L479-E481 WeakPolarHBondContact CB-OE2 3.33Å; L479-E481 PolarHBondContact O-N 3.27Å; L479-E481 VanDerWaalsContact O-N 3.1Å; L479-D482 WeakPolarHBondContact CB-OD2 3.38Å; L479-D482 PolarHBondContact N-OD2 3.05Å; L479-D482 WeakPolarHBondContact O-CB 3.41Å; L479-D482 PolarHBondContact O-N 2.95Å; L479-V483 PolarHBondContact O-N 3.22Å; L479-F502 HydrophobicContact CD2-CD2 4.41Å; L479-F502 HydrophobicContact CD2-CE2 4.48Å; L479-L510 HydrophobicContact CD1-CB 4.33Å; L479-L510 HydrophobicContact CD2-CB 3.81Å; L479-L510 HydrophobicContact CD2-CD1 3.88Å; L479-R511 HydrophobicContact CD1-CB 3.99Å
480P86.5Confident82.8Confident61 Ų6138.6 Ų38.640%0.39622%0.215SC..THydrogen-bonded Turntrans-50.6-37.3-178.8-30.437.3000114.3D482 V483 A507P480-D482 VanDerWaalsContact C-N 3.31Å; P480-D482 PolarHBondContact O-N 3.47Å; P480-V483 WeakPolarHBondContact O-CB 3.36Å; P480-V483 WeakPolarHBondContact O-CG2 3.26Å; P480-A507 HydrophobicContact CG-CB 4.47Å
481E88.2Confident81.8Confident3 Ų340 Ų401%0.01423%0.227CC..THydrogen-bonded Turntrans-71.5-20.7177.865.4-93-145.300114.5R279 E390 K393 I394 L479 R511R279-E481 PolarHBondContact NH1-O 2.82Å; E390-E481 HydrophobicContact CB-CB 3.91Å; E390-E481 HydrophobicContact CB-CG 4.03Å; E390-E481 HydrophobicContact CG-CB 4.19Å; E390-E481 HydrophobicContact CG-CG 4.39Å; K393-E481 HydrophobicContact CD-CG 4.46Å; I394-E481 HydrophobicContact CD1-CB 3.89Å; I394-E481 HydrophobicContact CD1-CG 3.88Å; I394-E481 HydrophobicContact CG1-CG 4.31Å; L479-E481 HydrophobicContact CB-CG 4.48Å; L479-E481 WeakPolarHBondContact CB-OE2 3.33Å; L479-E481 PolarHBondContact O-N 3.27Å; L479-E481 VanDerWaalsContact O-N 3.1Å; E481-R511 VanDerWaalsContact CD-NH2 3.3Å; E481-R511 IonicContact OE1-CZ 3.2Å; E481-R511 IonicContact OE1-NE 3.98Å; E481-R511 PolarHBondContact OE1-NE 3.44Å; E481-R511 IonicContact OE1-NH2 2.64Å; E481-R511 PolarHBondContact OE1-NH2 3.24Å; E481-R511 VanDerWaalsContact OE1-NH2 3.13Å; E481-R511 IonicContact OE2-CZ 3.39Å; E481-R511 IonicContact OE2-NE 3.33Å; E481-R511 IonicContact OE2-NH2 3.28Å; E481-R511 PolarHBondContact OE2-NH2 3.14Å
482D89.9Confident81.2Confident1 Ų140.2 Ų40.21%0.00524%0.238CC..THydrogen-bonded Turntrans-82.3-25.8-179.6-59.3-42.4000112.1W82 K393 Q475 A478 L479 P480 D484 L485 Y486 F493W82-D482 HydrophobicContact CH2-CB 4.16Å; W82-D482 HydrophobicContact CZ2-CB 4.39Å; W82-D482 VanDerWaalsContact CZ2-O 3.28Å; W82-D482 WeakPolarHBondContact CZ2-O 3.37Å; K393-D482 IonicContact NZ-OD1 2.65Å; K393-D482 PolarHBondContact NZ-OD1 3.24Å; K393-D482 IonicContact NZ-OD2 3.13Å; K393-D482 PolarHBondContact NZ-OD2 2.98Å; Q475-D482 PolarHBondContact NE2-OD2 3.39Å; A478-D482 HydrophobicContact CB-CB 4.06Å; L479-D482 WeakPolarHBondContact CB-OD2 3.38Å; L479-D482 PolarHBondContact N-OD2 3.05Å; L479-D482 WeakPolarHBondContact O-CB 3.41Å; L479-D482 PolarHBondContact O-N 2.95Å; P480-D482 VanDerWaalsContact C-N 3.31Å; P480-D482 PolarHBondContact O-N 3.47Å; D482-D484 VanDerWaalsContact C-N 3.31Å; D482-D484 PolarHBondContact O-N 2.91Å; D482-L485 WeakPolarHBondContact O-CA 3.47Å; D482-L485 PolarHBondContact O-N 3.1Å; D482-Y486 PolarHBondContact O-N 2.87Å; D482-F493 HydrophobicContact CB-CD2 4.1Å; D482-F493 HydrophobicContact CB-CE2 4.23Å
483V78.9Confident81.2Confident17 Ų1735.1 Ų35.110%0.10321%0.21CC..G310 helixtrans-45.7-51.6-173.3166.80000112.8N80 W82 L479 P480 L485 V499N80-V483 HydrophobicContact CB-CG1 3.72Å; N80-V483 WeakPolarHBondContact ND2-CG1 3.49Å; W82-V483 PolarHBondContact NE1-O 3.1Å; L479-V483 PolarHBondContact O-N 3.22Å; P480-V483 WeakPolarHBondContact O-CB 3.36Å; P480-V483 WeakPolarHBondContact O-CG2 3.26Å; V483-L485 VanDerWaalsContact C-N 3.29Å; V483-L485 PolarHBondContact O-N 3.2Å; V483-V499 HydrophobicContact CG2-CG1 3.98Å
484D74.7Confident80.7Confident36 Ų3638.9 Ų38.919%0.19323%0.23CC..G310 helixtrans-81.1-11.6-175.8-64.9-45.5000112.8R135 R279 D482R135-D484 IonicContact CZ-OD1 2.77Å; R135-D484 IonicContact NH1-OD1 3.75Å; R135-D484 PolarHBondContact NH1-OD1 2.77Å; R135-D484 IonicContact NH1-OD2 3.26Å; R135-D484 IonicContact NH2-OD1 3.39Å; R135-D484 IonicContact NH2-OD2 2.79Å; R279-D484 IonicContact NH1-OD2 2.74Å; R279-D484 IonicContact NH2-OD2 2.64Å; D482-D484 VanDerWaalsContact C-N 3.31Å; D482-D484 PolarHBondContact O-N 2.91Å
485L81.5Confident80.1Confident1 Ų133.2 Ų33.21%0.00520%0.201CC..G310 helixtrans-107.25.3-169.4-57.5-169.3000113.9F166 R279 L280 A283 I394 D482 V483 A487 V488 I489F166-L485 HydrophobicContact CE2-CD2 4.29Å; F166-L485 HydrophobicContact CZ-CD2 3.87Å; R279-L485 HydrophobicContact CG-CD1 3.92Å; L280-L485 HydrophobicContact CD2-CD2 4.46Å; A283-L485 HydrophobicContact CB-CD1 4.43Å; A283-L485 HydrophobicContact CB-CD2 3.41Å; A283-L485 VanDerWaalsContact CB-CD2 3.41Å; I394-L485 HydrophobicContact CD1-CD1 3.53Å; I394-L485 HydrophobicContact CG1-CD1 4.1Å; I394-L485 HydrophobicContact CG2-CD1 3.89Å; D482-L485 WeakPolarHBondContact O-CA 3.47Å; D482-L485 PolarHBondContact O-N 3.1Å; V483-L485 VanDerWaalsContact C-N 3.29Å; V483-L485 PolarHBondContact O-N 3.2Å; L485-A487 PolarHBondContact O-N 3.47Å; L485-V488 WeakPolarHBondContact O-CA 3.48Å; L485-V488 WeakPolarHBondContact O-CB 3.4Å; L485-V488 PolarHBondContact O-N 3.44Å; L485-I489 HydrophobicContact CB-CD1 3.84Å; L485-I489 HydrophobicContact CB-CG1 4.09Å; L485-I489 HydrophobicContact CD1-CD1 3.92Å; L485-I489 PolarHBondContact O-N 2.95Å
486Y71Confident79.3Confident63 Ų6334.2 Ų34.225%0.24721%0.207CC..Hα-helixtrans-46.3-56.5-179.8174.5-121.3000114.3W82 N83 D482 V488 Q490W82-Y486 HydrophobicContact CB-CD1 3.46Å; W82-Y486 VanDerWaalsContact CB-CD1 3.46Å; W82-Y486 HydrophobicContact CB-CD2 3.9Å; W82-Y486 HydrophobicContact CB-CE1 3.49Å; W82-Y486 VanDerWaalsContact CB-CE1 3.49Å; W82-Y486 HydrophobicContact CB-CE2 3.87Å; W82-Y486 HydrophobicContact CB-CG 3.63Å; W82-Y486 VanDerWaalsContact CD2-CB 3.43Å; W82-Y486 HydrophobicContact CD2-CD1 4.11Å; W82-Y486 AromaticContact CD2-CD2 3.31Å; W82-Y486 HydrophobicContact CD2-CD2 3.31Å; W82-Y486 AromaticContact CD2-CE2 3.97Å; W82-Y486 HydrophobicContact CD2-CE2 3.97Å; W82-Y486 AromaticContact CD2-CG 3.31Å; W82-Y486 HydrophobicContact CD2-CG 3.31Å; W82-Y486 VanDerWaalsContact CE2-CB 3.42Å; W82-Y486 AromaticContact CE2-CG 3.9Å; W82-Y486 HydrophobicContact CE3-CD1 4.42Å; W82-Y486 AromaticContact CE3-CD2 2.86Å; W82-Y486 HydrophobicContact CE3-CD2 2.86Å; W82-Y486 AromaticContact CE3-CE2 3.33Å; W82-Y486 HydrophobicContact CE3-CE2 3.33Å; W82-Y486 AromaticContact CE3-CG 3.46Å; W82-Y486 HydrophobicContact CE3-CG 3.46Å; W82-Y486 VanDerWaalsContact CE3-CG 3.46Å; W82-Y486 AromaticContact CG-CD1 3.7Å; W82-Y486 HydrophobicContact CG-CD1 3.7Å; W82-Y486 AromaticContact CG-CD2 3.78Å; W82-Y486 HydrophobicContact CG-CD2 3.78Å; W82-Y486 HydrophobicContact CG-CE1 4.22Å; W82-Y486 HydrophobicContact CG-CE2 4.24Å; W82-Y486 AromaticContact CG-CG 3.41Å; W82-Y486 HydrophobicContact CG-CG 3.41Å; W82-Y486 VanDerWaalsContact CG-CG 3.41Å; W82-Y486 HydrophobicContact CH2-CD2 4.04Å; W82-Y486 HydrophobicContact CH2-CG 4.47Å; W82-Y486 HydrophobicContact CZ2-CD2 4.44Å; W82-Y486 HydrophobicContact CZ2-CG 4.45Å; W82-Y486 AromaticContact CZ3-CD2 3.25Å; W82-Y486 HydrophobicContact CZ3-CD2 3.25Å; W82-Y486 AromaticContact CZ3-CE2 3.93Å; W82-Y486 HydrophobicContact CZ3-CE2 3.93Å; W82-Y486 HydrophobicContact CZ3-CG 4.01Å; W82-Y486 WeakPolarHBondContact O-CE1 3.42Å; N83-Y486 PolarHBondContact OD1-OH 3.28Å; D482-Y486 PolarHBondContact O-N 2.87Å; Y486-V488 PolarHBondContact O-N 3.25Å; Y486-V488 VanDerWaalsContact O-N 3.15Å; Y486-Q490 PolarHBondContact O-N 2.93Å; Y486-Q490 VanDerWaalsContact O-N 3.1Å
487A71.4Confident78.4Confident52 Ų5236 Ų3643%0.4321%0.21SC..Hα-helixtrans-69-13.5-176.200000112.6L170 L485L170-A487 HydrophobicContact CD2-CB 4.44Å; L485-A487 PolarHBondContact O-N 3.47Å
488V80.4Confident78Confident14 Ų1439.3 Ų39.39%0.08522%0.222CC..Hα-helixtrans-95.9-57.3-175-1770000111.1F166 L170 A283 I286 M287 L485 Y486F166-V488 HydrophobicContact CE2-CG2 4.14Å; F166-V488 HydrophobicContact CZ-CG2 4.46Å; L170-V488 HydrophobicContact CD2-CG2 3.9Å; A283-V488 HydrophobicContact CB-CG1 4.15Å; A283-V488 WeakPolarHBondContact O-CG1 3.45Å; I286-V488 HydrophobicContact CB-CG1 3.75Å; I286-V488 HydrophobicContact CD1-CG1 4.27Å; I286-V488 HydrophobicContact CG2-CG1 3.64Å; M287-V488 HydrophobicContact CG-CG1 3.89Å; M287-V488 HydrophobicContact CG-CG2 4.04Å; M287-V488 HydrophobicContact SD-CG2 3.9Å; L485-V488 WeakPolarHBondContact O-CA 3.48Å; L485-V488 WeakPolarHBondContact O-CB 3.4Å; L485-V488 PolarHBondContact O-N 3.44Å; Y486-V488 PolarHBondContact O-N 3.25Å; Y486-V488 VanDerWaalsContact O-N 3.15Å
489I75.4Confident77.4Confident8 Ų839.8 Ų39.84%0.04123%0.225CC..Hα-helixtrans-77.9-33-176.2-55.5174000110.4I286 I394 D397 L401 L485 A491I286-I489 HydrophobicContact CD1-CG1 4.33Å; I394-I489 HydrophobicContact CB-CD1 4.41Å; I394-I489 HydrophobicContact CG1-CD1 4.21Å; I394-I489 HydrophobicContact CG2-CD1 3.74Å; D397-I489 HydrophobicContact CB-CG2 4.22Å; L401-I489 HydrophobicContact CD1-CG2 3.95Å; L401-I489 WeakPolarHBondContact CD1-O 3.4Å; L485-I489 HydrophobicContact CB-CD1 3.84Å; L485-I489 HydrophobicContact CB-CG1 4.09Å; L485-I489 HydrophobicContact CD1-CD1 3.92Å; L485-I489 PolarHBondContact O-N 2.95Å; I489-A491 HydrophobicContact CG2-CB 3.74Å; I489-A491 PolarHBondContact O-N 3.32Å
490Q69.6Low76.6Confident122 Ų12243.9 Ų43.957%0.5725%0.253SS*.  trans57.926.5-178.1-51-173.6-19.600114Y486 G492Y486-Q490 PolarHBondContact O-N 2.93Å; Y486-Q490 VanDerWaalsContact O-N 3.1Å; Q490-G492 PolarHBondContact O-N 3.1Å
491A66.7Low76.3Confident30 Ų3043.2 Ų43.225%0.24825%0.25CC..  trans-72.612.8-175.500000115.4I489 F493I489-A491 HydrophobicContact CG2-CB 3.74Å; I489-A491 PolarHBondContact O-N 3.32Å; A491-F493 HydrophobicContact CB-CD1 4.27Å; A491-F493 HydrophobicContact CB-CD2 3.89Å; A491-F493 HydrophobicContact CB-CE1 3.77Å; A491-F493 HydrophobicContact CB-CE2 3.36Å; A491-F493 HydrophobicContact CB-CG 4.33Å; A491-F493 HydrophobicContact CB-CZ 3.3Å; A491-F493 PolarHBondContact O-N 2.97Å; A491-F493 VanDerWaalsContact O-N 3.1Å
492G71.8Confident76.2Confident63 Ų6344 Ų4465%0.64925%0.253SS*.  trans64.315.2172.900000115.6Q490Q490-G492 PolarHBondContact O-N 3.1Å
493F80.7Confident76.2Confident21 Ų2147.6 Ų47.69%0.09227%0.273CS..  trans-66.2147.8179.3-42.4-58000111.7W82 Q475 A478 D482 A491W82-F493 HydrophobicContact CH2-CB 3.97Å; W82-F493 AromaticContact CH2-CD2 3.98Å; W82-F493 HydrophobicContact CH2-CD2 3.98Å; W82-F493 HydrophobicContact CH2-CG 4.48Å; W82-F493 HydrophobicContact CZ3-CB 3.6Å; W82-F493 HydrophobicContact CZ3-CD2 4.21Å; W82-F493 HydrophobicContact CZ3-CG 4.38Å; W82-F493 WeakPolarHBondContact CZ3-O 3.36Å; Q475-F493 HydrophobicContact CB-CD1 4.33Å; Q475-F493 HydrophobicContact CB-CE1 3.86Å; Q475-F493 HydrophobicContact CG-CD1 4.06Å; Q475-F493 HydrophobicContact CG-CE1 3.9Å; Q475-F493 WeakPolarHBondContact O-CD1 3.05Å; A478-F493 HydrophobicContact CB-CB 4.14Å; D482-F493 HydrophobicContact CB-CD2 4.1Å; D482-F493 HydrophobicContact CB-CE2 4.23Å; A491-F493 HydrophobicContact CB-CD1 4.27Å; A491-F493 HydrophobicContact CB-CD2 3.89Å; A491-F493 HydrophobicContact CB-CE1 3.77Å; A491-F493 HydrophobicContact CB-CE2 3.36Å; A491-F493 HydrophobicContact CB-CG 4.33Å; A491-F493 HydrophobicContact CB-CZ 3.3Å; A491-F493 PolarHBondContact O-N 2.97Å; A491-F493 VanDerWaalsContact O-N 3.1Å
494I78.4Confident76.7Confident89 Ų8955.2 Ų55.246%0.45630%0.301SS..BIsolated β-bridgetrans-86.3125.2169.5-58.7172.6000107.5T476 V477 A478 D496T476-I494 PolarHBondContact O-N 3.14Å; V477-I494 CarbonylContact C-O 3.54Å; V477-I494 VanDerWaalsContact CA-O 3.27Å; V477-I494 WeakPolarHBondContact CA-O 3.15Å; A478-I494 PolarHBondContact N-O 3.02Å; I494-D496 HydrophobicContact CG2-CB 4.25Å; I494-D496 WeakPolarHBondContact CG2-OD2 3.25Å
495C73.1Confident77.7Confident14 Ų1454.3 Ų54.310%0.09530%0.296CS..  trans-108106.8171.5-163.70000108.3N80 W82 A478N80-C495 CarbonylContact O-C 3.47Å; N80-C495 VanDerWaalsContact O-CB 3.22Å; N80-C495 WeakPolarHBondContact O-CB 3.31Å; N80-C495 VanDerWaalsContact O-O 3.12Å; N80-C495 PolarHBondContact O-SG 3.41Å; W82-C495 HydrophobicContact CD2-CB 3.44Å; W82-C495 VanDerWaalsContact CD2-CB 3.44Å; W82-C495 VanDerWaalsContact CE2-CB 3.47Å; W82-C495 HydrophobicContact CE3-CB 3.86Å; W82-C495 HydrophobicContact CG-CB 3.85Å; W82-C495 HydrophobicContact CH2-CB 4.47Å; W82-C495 HydrophobicContact CZ2-CB 4Å; W82-C495 HydrophobicContact CZ3-CB 4.41Å; A478-C495 HydrophobicContact CB-CB 3.99Å
496D72.7Confident78.3Confident44 Ų4454.2 Ų54.224%0.23530%0.295CS..SBendtrans-136.9-168.3-178.96631.7000111.6I494 R498 V499I494-D496 HydrophobicContact CG2-CB 4.25Å; I494-D496 WeakPolarHBondContact CG2-OD2 3.25Å; D496-R498 PolarHBondContact O-N 3.15Å; D496-R498 VanDerWaalsContact O-N 3.14Å; D496-R498 WeakPolarHBondContact OD1-CB 3.48Å; D496-R498 VanDerWaalsContact OD1-CG 3.31Å; D496-R498 WeakPolarHBondContact OD1-CG 3.48Å; D496-R498 IonicContact OD1-CZ 2.92Å; D496-R498 PolarHBondContact OD1-N 2.93Å; D496-R498 IonicContact OD1-NE 3.87Å; D496-R498 PolarHBondContact OD1-NE 3.18Å; D496-R498 IonicContact OD1-NH2 2.76Å; D496-R498 IonicContact OD2-CZ 3Å; D496-R498 IonicContact OD2-NE 3.88Å; D496-R498 PolarHBondContact OD2-NE 2.84Å; D496-R498 IonicContact OD2-NH2 3.83Å; D496-R498 PolarHBondContact OD2-NH2 2.79Å; D496-V499 WeakPolarHBondContact O-CB 3.49Å; D496-V499 WeakPolarHBondContact O-CG2 3.25Å; D496-V499 PolarHBondContact O-N 3.1Å; D496-V499 VanDerWaalsContact O-N 3.14Å
497E70.2Confident79.4Confident111 Ų11151.4 Ų51.452%0.51929%0.285SS..G310 helixtrans-60.8-22.9-174.6-51.8-170.6163.600113.3V78 V499 C500V78-E497 HydrophobicContact CB-CG 3.79Å; V78-E497 WeakPolarHBondContact CB-OE1 3.48Å; V78-E497 HydrophobicContact CG1-CB 3.88Å; V78-E497 VanDerWaalsContact CG1-CD 3.4Å; V78-E497 HydrophobicContact CG1-CG 3.55Å; E497-V499 PolarHBondContact O-N 3.24Å; E497-C500 PolarHBondContact O-N 3.21Å
498R79.5Confident80.5Confident74 Ų7449 Ų4928%0.27927%0.265SS..G310 helixtrans-63.9-30.5177.4-62.1174.6-75.3-180-3.7112.1E461 V477 D496 C500 S501 F502E461-R498 HydrophobicContact CB-CG 4.49Å; E461-R498 HydrophobicContact CG-CG 4.21Å; V477-R498 HydrophobicContact CG1-CB 4.41Å; V477-R498 VanDerWaalsContact CG2-NH2 3.29Å; D496-R498 PolarHBondContact O-N 3.15Å; D496-R498 VanDerWaalsContact O-N 3.14Å; D496-R498 WeakPolarHBondContact OD1-CB 3.48Å; D496-R498 VanDerWaalsContact OD1-CG 3.31Å; D496-R498 WeakPolarHBondContact OD1-CG 3.48Å; D496-R498 IonicContact OD1-CZ 2.92Å; D496-R498 PolarHBondContact OD1-N 2.93Å; D496-R498 IonicContact OD1-NE 3.87Å; D496-R498 PolarHBondContact OD1-NE 3.18Å; D496-R498 IonicContact OD1-NH2 2.76Å; D496-R498 IonicContact OD2-CZ 3Å; D496-R498 IonicContact OD2-NE 3.88Å; D496-R498 PolarHBondContact OD2-NE 2.84Å; D496-R498 IonicContact OD2-NH2 3.83Å; D496-R498 PolarHBondContact OD2-NH2 2.79Å; R498-C500 PolarHBondContact O-N 3.29Å; R498-S501 PolarHBondContact O-N 2.83Å; R498-S501 PolarHBondContact O-OG 2.84Å; R498-F502 HydrophobicContact CB-CZ 4.05Å; R498-F502 WeakPolarHBondContact O-CE2 3.36Å; R498-F502 WeakPolarHBondContact O-CZ 3.44Å
499V75.5Confident81.3Confident11 Ų1148.3 Ų48.37%0.06726%0.261CS..G310 helixtrans-59.7-33.5178.6-1740000111V477 A478 V483 D496 E497V477-V499 HydrophobicContact CG1-CG2 3.82Å; A478-V499 HydrophobicContact CB-CG2 4.24Å; A478-V499 VanDerWaalsContact O-CG2 3.28Å; A478-V499 WeakPolarHBondContact O-CG2 3.31Å; V483-V499 HydrophobicContact CG2-CG1 3.98Å; D496-V499 WeakPolarHBondContact O-CB 3.49Å; D496-V499 WeakPolarHBondContact O-CG2 3.25Å; D496-V499 PolarHBondContact O-N 3.1Å; D496-V499 VanDerWaalsContact O-N 3.14Å; E497-V499 PolarHBondContact O-N 3.24Å
500C72.8Confident82.3Confident87 Ų8748.2 Ų48.259%0.58826%0.26SS*.G310 helixtrans-82.5-10.6178.1-67.40000113.7V78 E497 R498V78-C500 PolarHBondContact O-SG 3.42Å; E497-C500 PolarHBondContact O-N 3.21Å; R498-C500 PolarHBondContact O-N 3.29Å
501S79.9Confident83.6Confident47 Ų4742.8 Ų42.833%0.32924%0.235SC..THydrogen-bonded Turntrans-90-12.4177.477.70000113.3E461 R498 D503E461-S501 WeakPolarHBondContact CG-OG 3.41Å; E461-S501 PolarHBondContact OE2-OG 3.34Å; R498-S501 PolarHBondContact O-N 2.83Å; R498-S501 PolarHBondContact O-OG 2.84Å; S501-D503 PolarHBondContact O-N 3.16Å
502F85.4Confident85Confident19 Ų1941.4 Ų41.48%0.08322%0.223CC..  trans-77.5119.8177.8-53-39.5000111.1E461 A462 L465 V477 L479 R498 A507 L510E461-F502 HydrophobicContact CB-CE1 3.81Å; A462-F502 HydrophobicContact CB-CD1 4.17Å; A462-F502 HydrophobicContact CB-CE1 4.17Å; L465-F502 HydrophobicContact CD1-CE1 4.12Å; L465-F502 HydrophobicContact CD1-CZ 3.53Å; V477-F502 HydrophobicContact CG1-CE2 4.04Å; V477-F502 HydrophobicContact CG1-CZ 4.22Å; L479-F502 HydrophobicContact CD2-CD2 4.41Å; L479-F502 HydrophobicContact CD2-CE2 4.48Å; R498-F502 HydrophobicContact CB-CZ 4.05Å; R498-F502 WeakPolarHBondContact O-CE2 3.36Å; R498-F502 WeakPolarHBondContact O-CZ 3.44Å; F502-A507 HydrophobicContact CB-CB 4.38Å; F502-L510 HydrophobicContact CE1-CD1 4.22Å; F502-L510 HydrophobicContact CE2-CD1 4.32Å; F502-L510 HydrophobicContact CZ-CD1 4.1Å
503D90.1Very high86.2Confident77 Ų7738.4 Ų38.441%0.41219%0.192SC..  trans-75.3174.9162.463.34.3000111.2S501 L505 S506 A507S501-D503 PolarHBondContact O-N 3.16Å; D503-L505 VanDerWaalsContact C-N 3.26Å; D503-L505 PolarHBondContact O-N 3.45Å; D503-S506 PolarHBondContact O-N 3.37Å; D503-S506 WeakPolarHBondContact OD1-CA 3.41Å; D503-S506 WeakPolarHBondContact OD1-CB 3.37Å; D503-S506 PolarHBondContact OD1-N 2.85Å; D503-S506 PolarHBondContact OD1-OG 3.22Å; D503-A507 WeakPolarHBondContact O-CB 3.3Å; D503-A507 PolarHBondContact O-N 3.28Å
504Y90.8Very high86.9Confident177 Ų17737.8 Ų37.869%0.69419%0.191SC*.Hα-helixtrans-58-39.8-179-68.1-68.8000112.4C508Y504-C508 WeakPolarHBondContact O-CB 3.11Å; Y504-C508 PolarHBondContact O-N 3.17Å
505L94.2Very high87.8Confident16 Ų1633.6 Ų33.68%0.08417%0.169CC..Hα-helixtrans-66.5-47-179.7-167.870.6000111.8L380 E384 P457 L458 D503 C508 F509L380-L505 HydrophobicContact CB-CD1 3.67Å; E384-L505 HydrophobicContact CB-CD1 4.32Å; P457-L505 HydrophobicContact CB-CD2 3.83Å; P457-L505 HydrophobicContact CG-CD2 3.55Å; L458-L505 HydrophobicContact CD2-CD2 4.21Å; L458-L505 HydrophobicContact CD2-CG 4.11Å; D503-L505 VanDerWaalsContact C-N 3.26Å; D503-L505 PolarHBondContact O-N 3.45Å; L505-C508 WeakPolarHBondContact O-CB 3.5Å; L505-C508 PolarHBondContact O-N 3.46Å; L505-F509 WeakPolarHBondContact O-CB 3.28Å; L505-F509 PolarHBondContact O-N 3.32Å
506S94.8Very high88.8Confident0 Ų033.3 Ų33.30%017%0.166CC..Hα-helixtrans-67-39.5179-58.20000112.1A459 D503 C508 F509 L510A459-S506 WeakPolarHBondContact CB-OG 3.35Å; A459-S506 PolarHBondContact N-OG 3.46Å; D503-S506 PolarHBondContact O-N 3.37Å; D503-S506 WeakPolarHBondContact OD1-CA 3.41Å; D503-S506 WeakPolarHBondContact OD1-CB 3.37Å; D503-S506 PolarHBondContact OD1-N 2.85Å; D503-S506 PolarHBondContact OD1-OG 3.22Å; S506-C508 VanDerWaalsContact C-N 3.35Å; S506-F509 PolarHBondContact O-N 2.89Å; S506-L510 PolarHBondContact O-N 3.2Å; S506-L510 VanDerWaalsContact O-N 3.11Å
507A93.8Very high89.7Confident4 Ų432.2 Ų32.23%0.03316%0.162CC..Hα-helixtrans-63.7-41.6172.600000111.2P480 F502 D503 L510 R511P480-A507 HydrophobicContact CG-CB 4.47Å; F502-A507 HydrophobicContact CB-CB 4.38Å; D503-A507 WeakPolarHBondContact O-CB 3.3Å; D503-A507 PolarHBondContact O-N 3.28Å; A507-L510 PolarHBondContact O-N 2.82Å; A507-R511 VanDerWaalsContact O-CB 3.24Å; A507-R511 WeakPolarHBondContact O-CB 3.45Å; A507-R511 PolarHBondContact O-N 3.2Å
508C95.7Very high90.6Very high0 Ų027.4 Ų27.40%014%0.139CC..Hα-helixtrans-61.2-46.7174.6-173.30000112E384 Y504 L505 S506 L510 R511 I512E384-C508 HydrophobicContact CB-CB 4.18Å; Y504-C508 WeakPolarHBondContact O-CB 3.11Å; Y504-C508 PolarHBondContact O-N 3.17Å; L505-C508 WeakPolarHBondContact O-CB 3.5Å; L505-C508 PolarHBondContact O-N 3.46Å; S506-C508 VanDerWaalsContact C-N 3.35Å; C508-L510 PolarHBondContact O-N 2.94Å; C508-R511 WeakPolarHBondContact O-CB 3.41Å; C508-R511 PolarHBondContact O-N 3.35Å; C508-R511 VanDerWaalsContact O-N 3.17Å; C508-I512 WeakPolarHBondContact O-CG1 3.3Å; C508-I512 PolarHBondContact O-N 2.79Å
509F96.9Very high91Very high0 Ų023.9 Ų23.90%013%0.126CC..Hα-helixtrans-54.2-51.8176170.5-97.6000112L380 L447 A451 L458 F466 L505 S506 R511 I512 C513L380-F509 HydrophobicContact CD1-CD2 4.31Å; L447-F509 HydrophobicContact CB-CE2 3.9Å; L447-F509 HydrophobicContact CD2-CD2 3.53Å; L447-F509 HydrophobicContact CD2-CE2 3.61Å; L447-F509 HydrophobicContact CG-CE2 4.31Å; A451-F509 HydrophobicContact CB-CZ 4.14Å; L458-F509 HydrophobicContact CD1-CB 4.47Å; L458-F509 HydrophobicContact CD1-CD1 4.03Å; L458-F509 HydrophobicContact CD1-CD2 3.7Å; L458-F509 HydrophobicContact CD1-CE1 4.15Å; L458-F509 HydrophobicContact CD1-CE2 3.84Å; L458-F509 HydrophobicContact CD1-CG 3.81Å; L458-F509 HydrophobicContact CD1-CZ 4.08Å; L458-F509 HydrophobicContact CD2-CB 3.91Å; L458-F509 HydrophobicContact CD2-CD2 4.49Å; L458-F509 HydrophobicContact CD2-CG 4.15Å; F466-F509 HydrophobicContact CB-CE1 3.75Å; F466-F509 HydrophobicContact CB-CZ 3.95Å; F466-F509 HydrophobicContact CD1-CZ 4.16Å; F466-F509 HydrophobicContact CD2-CE1 4.1Å; F466-F509 AromaticContact CD2-CZ 3.7Å; F466-F509 HydrophobicContact CD2-CZ 3.7Å; F466-F509 HydrophobicContact CE2-CZ 4.2Å; F466-F509 AromaticContact CG-CE1 3.98Å; F466-F509 HydrophobicContact CG-CE1 3.98Å; F466-F509 AromaticContact CG-CZ 3.66Å; F466-F509 HydrophobicContact CG-CZ 3.66Å; L505-F509 WeakPolarHBondContact O-CB 3.28Å; L505-F509 PolarHBondContact O-N 3.32Å; S506-F509 PolarHBondContact O-N 2.89Å; F509-R511 VanDerWaalsContact C-N 3.34Å; F509-R511 PolarHBondContact O-N 3.14Å; F509-I512 PolarHBondContact O-N 2.98Å; F509-C513 PolarHBondContact O-N 3.32Å; F509-C513 VanDerWaalsContact O-N 3.12Å; F509-C513 PolarHBondContact O-SG 2.82Å
510L95.9Very high91.5Very high6 Ų624.4 Ų24.43%0.03113%0.128CC..Hα-helixtrans-67-33.1178.1-68.8176.6000113A462 L465 W473 L479 F502 S506 A507 C508 C513 S514A462-L510 HydrophobicContact CB-CD1 4.01Å; A462-L510 HydrophobicContact CB-CG 4.21Å; L465-L510 HydrophobicContact CB-CD2 4.14Å; L465-L510 HydrophobicContact CD1-CD1 4.12Å; W473-L510 HydrophobicContact CZ2-CD2 4.2Å; L479-L510 HydrophobicContact CD1-CB 4.33Å; L479-L510 HydrophobicContact CD2-CB 3.81Å; L479-L510 HydrophobicContact CD2-CD1 3.88Å; F502-L510 HydrophobicContact CE1-CD1 4.22Å; F502-L510 HydrophobicContact CE2-CD1 4.32Å; F502-L510 HydrophobicContact CZ-CD1 4.1Å; S506-L510 PolarHBondContact O-N 3.2Å; S506-L510 VanDerWaalsContact O-N 3.11Å; A507-L510 PolarHBondContact O-N 2.82Å; C508-L510 PolarHBondContact O-N 2.94Å; L510-C513 WeakPolarHBondContact O-CB 3.17Å; L510-C513 PolarHBondContact O-N 2.61Å; L510-S514 PolarHBondContact O-N 3.42Å
511R96.5Very high91.8Very high9 Ų921.5 Ų21.53%0.03411%0.113CC..Hα-helixtrans-64.2-41.6175.4-173-179.7-61.6111.47.2111.8L389 K393 L479 E481 A507 C508 F509 S514 L515L389-R511 HydrophobicContact CB-CG 4.47Å; K393-R511 HydrophobicContact CB-CG 3.93Å; K393-R511 HydrophobicContact CG-CG 4.01Å; L479-R511 HydrophobicContact CD1-CB 3.99Å; E481-R511 VanDerWaalsContact CD-NH2 3.3Å; E481-R511 IonicContact OE1-CZ 3.2Å; E481-R511 IonicContact OE1-NE 3.98Å; E481-R511 PolarHBondContact OE1-NE 3.44Å; E481-R511 IonicContact OE1-NH2 2.64Å; E481-R511 PolarHBondContact OE1-NH2 3.24Å; E481-R511 VanDerWaalsContact OE1-NH2 3.13Å; E481-R511 IonicContact OE2-CZ 3.39Å; E481-R511 IonicContact OE2-NE 3.33Å; E481-R511 IonicContact OE2-NH2 3.28Å; E481-R511 PolarHBondContact OE2-NH2 3.14Å; A507-R511 VanDerWaalsContact O-CB 3.24Å; A507-R511 WeakPolarHBondContact O-CB 3.45Å; A507-R511 PolarHBondContact O-N 3.2Å; C508-R511 WeakPolarHBondContact O-CB 3.41Å; C508-R511 PolarHBondContact O-N 3.35Å; C508-R511 VanDerWaalsContact O-N 3.17Å; F509-R511 VanDerWaalsContact C-N 3.34Å; F509-R511 PolarHBondContact O-N 3.14Å; R511-S514 WeakPolarHBondContact O-CB 3.27Å; R511-S514 PolarHBondContact O-N 2.82Å; R511-L515 WeakPolarHBondContact O-CG 2.82Å; R511-L515 PolarHBondContact O-N 3.38Å
512I97.2Very high91.6Very high0 Ų019.3 Ų19.30%010%0.097CC..Hα-helixtrans-65-42174.9-65.9175.2000110.3L380 L383 L441 P442 L447 C508 F509 S514 L515 L516L380-I512 HydrophobicContact CD2-CD1 3.6Å; L383-I512 HydrophobicContact CD1-CD1 3.97Å; L441-I512 HydrophobicContact CB-CG2 3.92Å; L441-I512 HydrophobicContact CD1-CG1 4.44Å; L441-I512 HydrophobicContact CD1-CG2 4.2Å; L441-I512 HydrophobicContact CD2-CD1 4.34Å; L441-I512 HydrophobicContact CD2-CG1 4.34Å; P442-I512 HydrophobicContact CG-CD1 4.38Å; L447-I512 HydrophobicContact CD1-CG2 4.05Å; C508-I512 WeakPolarHBondContact O-CG1 3.3Å; C508-I512 PolarHBondContact O-N 2.79Å; F509-I512 PolarHBondContact O-N 2.98Å; I512-S514 VanDerWaalsContact C-N 3.29Å; I512-S514 PolarHBondContact O-N 3.29Å; I512-L515 PolarHBondContact O-N 3.28Å; I512-L516 HydrophobicContact CG2-CD1 3.94Å; I512-L516 HydrophobicContact CG2-CG 4.22Å; I512-L516 WeakPolarHBondContact O-CG 3.06Å; I512-L516 PolarHBondContact O-N 3.37Å
513C96.7Very high91Very high0 Ų020.7 Ų20.70%011%0.105CC..Hα-helixtrans-55.8-43172.5-64.50000112.3F466 L470 W473 F509 L510 S517F466-C513 VanDerWaalsContact CD2-SG 3.54Å; L470-C513 HydrophobicContact CD2-CB 3.98Å; W473-C513 HydrophobicContact CD2-CB 4.43Å; W473-C513 HydrophobicContact CE3-CB 4.22Å; W473-C513 HydrophobicContact CH2-CB 3.96Å; W473-C513 HydrophobicContact CZ2-CB 4.2Å; W473-C513 HydrophobicContact CZ3-CB 3.99Å; F509-C513 PolarHBondContact O-N 3.32Å; F509-C513 VanDerWaalsContact O-N 3.12Å; F509-C513 PolarHBondContact O-SG 2.82Å; L510-C513 WeakPolarHBondContact O-CB 3.17Å; L510-C513 PolarHBondContact O-N 2.61Å; C513-S517 VanDerWaalsContact O-CB 3.25Å; C513-S517 WeakPolarHBondContact O-CB 3.35Å; C513-S517 PolarHBondContact O-N 2.85Å
514S95Very high90Very high9 Ų926.8 Ų26.86%0.06312%0.124CC..Hα-helixtrans-62.6-45.9175.2173.30000112.5L510 R511 I512 L516 S517 F518L510-S514 PolarHBondContact O-N 3.42Å; R511-S514 WeakPolarHBondContact O-CB 3.27Å; R511-S514 PolarHBondContact O-N 2.82Å; I512-S514 VanDerWaalsContact C-N 3.29Å; I512-S514 PolarHBondContact O-N 3.29Å; S514-L516 PolarHBondContact O-N 3.25Å; S514-S517 PolarHBondContact O-N 2.6Å; S514-F518 PolarHBondContact O-N 3.45Å
515L96.4Very high88.7Confident1 Ų120.3 Ų20.31%0.00510%0.101CC..Hα-helixtrans-62.9-42.5177.6-69.5171.9000112.6L389 L392 K393 C396 L438 L441 R511 I512 F518 G519L389-L515 HydrophobicContact CD2-CD1 3.99Å; L392-L515 HydrophobicContact CB-CD2 4.49Å; L392-L515 HydrophobicContact CD2-CD1 4.41Å; L392-L515 HydrophobicContact CD2-CD2 4.1Å; L392-L515 HydrophobicContact CG-CD2 3.87Å; K393-L515 HydrophobicContact CB-CD2 4.11Å; K393-L515 HydrophobicContact CB-CG 4.4Å; C396-L515 HydrophobicContact CB-CD2 4.39Å; L438-L515 HydrophobicContact CD2-CB 4.05Å; L438-L515 VanDerWaalsContact CD2-O 3.25Å; L438-L515 WeakPolarHBondContact CD2-O 3.39Å; L441-L515 HydrophobicContact CD1-CB 4.2Å; L441-L515 HydrophobicContact CD1-CD1 3.9Å; R511-L515 WeakPolarHBondContact O-CG 2.82Å; R511-L515 PolarHBondContact O-N 3.38Å; I512-L515 PolarHBondContact O-N 3.28Å; L515-F518 WeakPolarHBondContact O-CB 3.39Å; L515-F518 PolarHBondContact O-N 3.18Å; L515-G519 PolarHBondContact O-N 2.94Å
516L94.9Very high86.8Confident7 Ų729.6 Ų29.64%0.03714%0.135CC..Hα-helixtrans-68.4-40.6176.4-65.7174.4000111.9L438 P442 L447 L470 I512 S514 F518 G519 H520 F539L438-L516 HydrophobicContact CB-CD2 4.42Å; L438-L516 HydrophobicContact CD2-CD2 4.45Å; P442-L516 WeakPolarHBondContact O-CD1 3.46Å; L447-L516 HydrophobicContact CD1-CD1 3.64Å; L470-L516 HydrophobicContact CD1-CB 3.94Å; L470-L516 HydrophobicContact CD1-CD1 3.77Å; I512-L516 HydrophobicContact CG2-CD1 3.94Å; I512-L516 HydrophobicContact CG2-CG 4.22Å; I512-L516 WeakPolarHBondContact O-CG 3.06Å; I512-L516 PolarHBondContact O-N 3.37Å; S514-L516 PolarHBondContact O-N 3.25Å; L516-F518 VanDerWaalsContact C-N 3.31Å; L516-F518 PolarHBondContact O-N 3.44Å; L516-G519 WeakPolarHBondContact O-CA 3.13Å; L516-G519 PolarHBondContact O-N 3.37Å; L516-H520 PolarHBondContact O-CD2 3.32Å; L516-H520 VanDerWaalsContact O-CD2 3.28Å; L516-H520 PolarHBondContact O-N 3.39Å; L516-F539 HydrophobicContact CD2-CE2 3.85Å
517S90.9Very high85.1Confident21 Ų2129.9 Ų29.915%0.14714%0.136CC..Hα-helixtrans-59.8-41.4173.5177.40000111.2L470 W473 C513 S514 G519 H520 G521L470-S517 PolarHBondContact O-OG 3.37Å; W473-S517 PolarHBondContact O-OG 3.38Å; C513-S517 VanDerWaalsContact O-CB 3.25Å; C513-S517 WeakPolarHBondContact O-CB 3.35Å; C513-S517 PolarHBondContact O-N 2.85Å; S514-S517 PolarHBondContact O-N 2.6Å; S517-G519 VanDerWaalsContact C-N 3.33Å; S517-G519 PolarHBondContact O-N 3.31Å; S517-H520 WeakPolarHBondContact O-CB 3.25Å; S517-H520 PolarHBondContact O-N 3.35Å; S517-H520 VanDerWaalsContact O-N 3.15Å; S517-G521 PolarHBondContact O-N 3.14Å
518F90.9Very high83.1Confident10 Ų1033.7 Ų33.74%0.04416%0.16CC..Hα-helixtrans-58.3-44.5170.4176.7-115.9000112.1C396 L399 S400 L434 S514 L515 L516 H520 G521 L522C396-F518 HydrophobicContact CB-CB 4.15Å; C396-F518 HydrophobicContact CB-CD1 3.61Å; C396-F518 HydrophobicContact CB-CD2 4.12Å; C396-F518 HydrophobicContact CB-CE1 3.9Å; C396-F518 HydrophobicContact CB-CE2 4.36Å; C396-F518 HydrophobicContact CB-CG 3.69Å; C396-F518 HydrophobicContact CB-CZ 4.24Å; C396-F518 WeakPolarHBondContact O-CE2 3.4Å; C396-F518 WeakPolarHBondContact SG-CD1 3.31Å; C396-F518 WeakPolarHBondContact SG-CE1 3.06Å; L399-F518 HydrophobicContact CB-CE2 3.96Å; L399-F518 HydrophobicContact CB-CZ 3.9Å; L399-F518 HydrophobicContact CD1-CZ 4.1Å; S400-F518 WeakPolarHBondContact OG-CD2 3.39Å; L434-F518 HydrophobicContact CD2-CD1 4.26Å; L434-F518 HydrophobicContact CD2-CE1 3.76Å; S514-F518 PolarHBondContact O-N 3.45Å; L515-F518 WeakPolarHBondContact O-CB 3.39Å; L515-F518 PolarHBondContact O-N 3.18Å; L516-F518 VanDerWaalsContact C-N 3.31Å; L516-F518 PolarHBondContact O-N 3.44Å; F518-H520 VanDerWaalsContact C-N 3.3Å; F518-H520 PolarHBondContact O-N 3.44Å; F518-G521 CarbonylContact O-C 3.56Å; F518-G521 WeakPolarHBondContact O-CA 3.22Å; F518-G521 PolarHBondContact O-N 3.32Å; F518-L522 HydrophobicContact CD1-CD1 4.28Å; F518-L522 HydrophobicContact CD1-CG 4.43Å; F518-L522 HydrophobicContact CE1-CD1 3.92Å; F518-L522 HydrophobicContact CE1-CD2 4.07Å; F518-L522 HydrophobicContact CE1-CG 4.14Å; F518-L522 HydrophobicContact CE2-CD2 3.92Å; F518-L522 HydrophobicContact CE2-CG 4.41Å; F518-L522 HydrophobicContact CZ-CD1 4.35Å; F518-L522 HydrophobicContact CZ-CD2 3.63Å; F518-L522 HydrophobicContact CZ-CG 4.16Å; F518-L522 WeakPolarHBondContact O-CG 3.41Å; F518-L522 PolarHBondContact O-N 2.73Å
519G88Confident81.6Confident0 Ų039.7 Ų39.70%018%0.183CC..Hα-helixtrans-52.7-44.5172.900000113.2L515 L516 S517 L522L515-G519 PolarHBondContact O-N 2.94Å; L516-G519 WeakPolarHBondContact O-CA 3.13Å; L516-G519 PolarHBondContact O-N 3.37Å; S517-G519 VanDerWaalsContact C-N 3.33Å; S517-G519 PolarHBondContact O-N 3.31Å; G519-L522 PolarHBondContact O-N 2.99Å
520H85.2Confident80.3Confident22 Ų2240.4 Ų40.410%0.10219%0.187CC..Hα-helixtrans-66.1-38.1172.7-73.3-72.5000112.7L516 S517 F518 L522 I523 Y524 Y532 F539L516-H520 PolarHBondContact O-CD2 3.32Å; L516-H520 VanDerWaalsContact O-CD2 3.28Å; L516-H520 PolarHBondContact O-N 3.39Å; S517-H520 WeakPolarHBondContact O-CB 3.25Å; S517-H520 PolarHBondContact O-N 3.35Å; S517-H520 VanDerWaalsContact O-N 3.15Å; F518-H520 VanDerWaalsContact C-N 3.3Å; F518-H520 PolarHBondContact O-N 3.44Å; H520-L522 VanDerWaalsContact C-N 3.3Å; H520-L522 PolarHBondContact O-N 3.5Å; H520-I523 WeakPolarHBondContact O-CB 3.41Å; H520-I523 PolarHBondContact O-N 3.01Å; H520-I523 VanDerWaalsContact O-N 3.13Å; H520-Y524 PolarHBondContact O-N 3.44Å; H520-Y524 VanDerWaalsContact O-N 3.09Å; H520-Y532 AromaticContact CE1-CD1 3.77Å; H520-Y532 AromaticContact CE1-CD2 3.71Å; H520-Y532 AromaticContact CE1-CE1 3.74Å; H520-Y532 AromaticContact CE1-CE2 3.71Å; H520-Y532 AromaticContact CE1-CG 3.73Å; H520-Y532 AromaticContact CE1-CZ 3.71Å; H520-F539 AromaticContact CD2-CZ 3.98Å; H520-F539 AromaticContact NE2-CZ 3.96Å
521G78.5Confident79.2Confident26 Ų2642.3 Ų42.327%0.26820%0.203SC..Hα-helixtrans-58.7-38.1173.800000113.2S517 F518 I523 Y524 I525S517-G521 PolarHBondContact O-N 3.14Å; F518-G521 CarbonylContact O-C 3.56Å; F518-G521 WeakPolarHBondContact O-CA 3.22Å; F518-G521 PolarHBondContact O-N 3.32Å; G521-I523 VanDerWaalsContact C-N 3.27Å; G521-I523 PolarHBondContact O-N 3.34Å; G521-Y524 WeakPolarHBondContact O-CB 3.48Å; G521-Y524 PolarHBondContact O-N 3.28Å; G521-Y524 VanDerWaalsContact O-N 3.15Å; G521-I525 WeakPolarHBondContact O-CG1 3.38Å; G521-I525 PolarHBondContact O-N 2.95Å
522L76Confident78.5Confident1 Ų144.4 Ų44.41%0.00521%0.212CC..Hα-helixtrans-61.8-36175.2-62.9177000112.4T406 W431 L434 F518 G519 H520 L527 I530T406-L522 HydrophobicContact CG2-CD2 3.58Å; W431-L522 HydrophobicContact CE3-CD1 3.8Å; W431-L522 HydrophobicContact CE3-CD2 4.32Å; W431-L522 HydrophobicContact CH2-CD2 3.94Å; W431-L522 HydrophobicContact CZ3-CD1 3.7Å; W431-L522 HydrophobicContact CZ3-CD2 3.6Å; W431-L522 HydrophobicContact CZ3-CG 4.32Å; L434-L522 HydrophobicContact CD2-CD1 3.68Å; F518-L522 HydrophobicContact CD1-CD1 4.28Å; F518-L522 HydrophobicContact CD1-CG 4.43Å; F518-L522 HydrophobicContact CE1-CD1 3.92Å; F518-L522 HydrophobicContact CE1-CD2 4.07Å; F518-L522 HydrophobicContact CE1-CG 4.14Å; F518-L522 HydrophobicContact CE2-CD2 3.92Å; F518-L522 HydrophobicContact CE2-CG 4.41Å; F518-L522 HydrophobicContact CZ-CD1 4.35Å; F518-L522 HydrophobicContact CZ-CD2 3.63Å; F518-L522 HydrophobicContact CZ-CG 4.16Å; F518-L522 WeakPolarHBondContact O-CG 3.41Å; F518-L522 PolarHBondContact O-N 2.73Å; G519-L522 PolarHBondContact O-N 2.99Å; H520-L522 VanDerWaalsContact C-N 3.3Å; H520-L522 PolarHBondContact O-N 3.5Å; L522-L527 HydrophobicContact CB-CD1 3.97Å; L522-L527 HydrophobicContact CD2-CD1 3.53Å; L522-L527 HydrophobicContact CG-CD1 4.27Å; L522-L527 PolarHBondContact O-N 3.47Å; L522-I530 HydrophobicContact CB-CD1 4.06Å; L522-I530 HydrophobicContact CD1-CD1 3.89Å
523I73.8Confident77.7Confident49 Ų4947.3 Ų47.325%0.25123%0.227SC..Hα-helixtrans-68.2-42.3175-59.7169.4000110H520 G521 I525 R526 I530 Y532 F539H520-I523 WeakPolarHBondContact O-CB 3.41Å; H520-I523 PolarHBondContact O-N 3.01Å; H520-I523 VanDerWaalsContact O-N 3.13Å; G521-I523 VanDerWaalsContact C-N 3.27Å; G521-I523 PolarHBondContact O-N 3.34Å; I523-I525 VanDerWaalsContact C-N 3.33Å; I523-I525 PolarHBondContact O-N 2.91Å; I523-R526 WeakPolarHBondContact O-CA 3.22Å; I523-R526 PolarHBondContact O-N 2.86Å; I523-I530 HydrophobicContact CD1-CG2 4.48Å; I523-I530 HydrophobicContact CG1-CB 4.43Å; I523-I530 HydrophobicContact CG1-CG2 3.94Å; I523-Y532 VanDerWaalsContact CD1-CB 3.48Å; I523-F539 HydrophobicContact CD1-CD1 3.96Å; I523-F539 HydrophobicContact CD1-CE1 3.97Å
524Y68.8Low77Confident205 Ų20551.7 Ų51.780%0.80426%0.256SS*.Hα-helixtrans-62.5-39.2178.8-175.5-94.8000112.6H520 G521 R526H520-Y524 PolarHBondContact O-N 3.44Å; H520-Y524 VanDerWaalsContact O-N 3.09Å; G521-Y524 WeakPolarHBondContact O-CB 3.48Å; G521-Y524 PolarHBondContact O-N 3.28Å; G521-Y524 VanDerWaalsContact O-N 3.15Å; Y524-R526 PolarHBondContact O-N 3.2Å; Y524-R526 VanDerWaalsContact O-N 3.11Å
525I61.8Low76.2Confident40 Ų4056.8 Ų56.821%0.20529%0.291CS..THydrogen-bonded Turntrans-70.6-2.2176.4-61.3162.2000111.7P403 H407 G521 I523 L527P403-I525 HydrophobicContact CB-CD1 3.8Å; P403-I525 HydrophobicContact CB-CG1 4.09Å; P403-I525 HydrophobicContact CB-CG2 4.31Å; H407-I525 HydrophobicContact CB-CG2 4.19Å; G521-I525 WeakPolarHBondContact O-CG1 3.38Å; G521-I525 PolarHBondContact O-N 2.95Å; I523-I525 VanDerWaalsContact C-N 3.33Å; I523-I525 PolarHBondContact O-N 2.91Å; I525-L527 VanDerWaalsContact C-N 3.32Å; I525-L527 PolarHBondContact O-N 3.45Å
526R55.7Low75.4Confident211 Ų21159.4 Ų59.480%0.79631%0.309SS*.THydrogen-bonded Turntrans5740.7179.6-58-174.7178.4-178.6-0.6113I523 Y524 P528I523-R526 WeakPolarHBondContact O-CA 3.22Å; I523-R526 PolarHBondContact O-N 2.86Å; Y524-R526 PolarHBondContact O-N 3.2Å; Y524-R526 VanDerWaalsContact O-N 3.11Å; R526-P528 WeakPolarHBondContact O-CD 3.35Å
527L59.5Low74.7Confident6 Ų660.5 Ų60.53%0.03132%0.318CS..  trans-56.1113.5166.5-90155.9000108.1T406 W431 L522 I525 R529 I530T406-L527 HydrophobicContact CG2-CD1 4.04Å; W431-L527 HydrophobicContact CD2-CD1 4.34Å; W431-L527 HydrophobicContact CE3-CD1 4.47Å; W431-L527 HydrophobicContact CH2-CD1 4.15Å; W431-L527 HydrophobicContact CZ2-CD1 3.97Å; W431-L527 HydrophobicContact CZ2-CD2 4.17Å; W431-L527 HydrophobicContact CZ3-CD1 4.39Å; L522-L527 HydrophobicContact CB-CD1 3.97Å; L522-L527 HydrophobicContact CD2-CD1 3.53Å; L522-L527 HydrophobicContact CG-CD1 4.27Å; L522-L527 PolarHBondContact O-N 3.47Å; I525-L527 VanDerWaalsContact C-N 3.32Å; I525-L527 PolarHBondContact O-N 3.45Å; L527-R529 PolarHBondContact O-N 3.34Å; L527-I530 PolarHBondContact O-N 3.5Å
528P51Low74.5Confident84 Ų8461.4 Ų61.455%0.54532%0.322SS..THydrogen-bonded Turntrans-62.5120179.824.8-29.6000105.7R526R526-P528 WeakPolarHBondContact O-CD 3.35Å
529R64.1Low74.2Confident126 Ų12661.2 Ų61.248%0.47532%0.321SS..THydrogen-bonded Turntrans1105.9177.5-54.9151.1175-178.6-7.6117.1L527 C541 P542 D544L527-R529 PolarHBondContact O-N 3.34Å; R529-C541 WeakPolarHBondContact O-CA 3.48Å; R529-C541 WeakPolarHBondContact O-CB 3.36Å; R529-C541 PolarHBondContact O-SG 3.09Å; R529-P542 WeakPolarHBondContact O-CD 3.28Å; R529-D544 IonicContact NH2-OD2 3.8Å
530I69.5Low73.8Confident16 Ų1664.3 Ų64.38%0.08234%0.34CS..  trans-118.9128.7168-50178.5000109.4W431 V435 L522 I523 L527 F539 V540W431-I530 HydrophobicContact CB-CD1 3.95Å; W431-I530 HydrophobicContact CB-CG1 4.41Å; W431-I530 HydrophobicContact CE3-CD1 4.38Å; W431-I530 HydrophobicContact CG-CD1 4.41Å; V435-I530 HydrophobicContact CG2-CD1 4.22Å; V435-I530 HydrophobicContact CG2-CG1 4.26Å; V435-I530 HydrophobicContact CG2-CG2 3.96Å; L522-I530 HydrophobicContact CB-CD1 4.06Å; L522-I530 HydrophobicContact CD1-CD1 3.89Å; I523-I530 HydrophobicContact CD1-CG2 4.48Å; I523-I530 HydrophobicContact CG1-CB 4.43Å; I523-I530 HydrophobicContact CG1-CG2 3.94Å; L527-I530 PolarHBondContact O-N 3.5Å; I530-F539 HydrophobicContact CG2-CD1 4.42Å; I530-V540 WeakPolarHBondContact CA-O 3.38Å
531A72.4Confident73Confident45 Ų4564.9 Ų64.937%0.37235%0.346SS..EExtended strand (participates in β ladder)trans-128.2164.6172.400000109.4F539 V540A531-F539 CarbonylContact O-C 3.54Å; A531-F539 WeakPolarHBondContact O-CA 3.4Å; A531-V540 PolarHBondContact N-O 3.16Å; A531-V540 PolarHBondContact O-N 3.49Å
532Y81.5Confident71.8Confident54 Ų5467 Ų6721%0.21236%0.355CS..EExtended strand (participates in β ladder)trans-115.4129.1171.1-174.1-110.7000108.5H520 I523 P534 C537 T538 F539H520-Y532 AromaticContact CE1-CD1 3.77Å; H520-Y532 AromaticContact CE1-CD2 3.71Å; H520-Y532 AromaticContact CE1-CE1 3.74Å; H520-Y532 AromaticContact CE1-CE2 3.71Å; H520-Y532 AromaticContact CE1-CG 3.73Å; H520-Y532 AromaticContact CE1-CZ 3.71Å; I523-Y532 VanDerWaalsContact CD1-CB 3.48Å; Y532-P534 HydrophobicContact CD1-CB 4.39Å; Y532-P534 HydrophobicContact CE1-CB 4.35Å; Y532-P534 VanDerWaalsContact O-CD 3.24Å; Y532-P534 WeakPolarHBondContact O-CD 3.43Å; Y532-C537 WeakPolarHBondContact OH-CA 3.02Å; Y532-T538 WeakPolarHBondContact CD2-O 3.48Å; Y532-F539 AromaticContact CD2-CD1 3.89Å; Y532-F539 HydrophobicContact CD2-CD1 3.89Å; Y532-F539 HydrophobicContact CD2-CD2 4.45Å; Y532-F539 AromaticContact CD2-CE1 3.81Å; Y532-F539 HydrophobicContact CD2-CE1 3.81Å; Y532-F539 HydrophobicContact CD2-CE2 4.39Å; Y532-F539 HydrophobicContact CD2-CG 4.21Å; Y532-F539 HydrophobicContact CD2-CZ 4.07Å; Y532-F539 HydrophobicContact CE2-CE1 4.41Å; Y532-F539 HydrophobicContact CE2-CE2 4.31Å; Y532-F539 HydrophobicContact CE2-CZ 4.21Å
533N82Confident70.5Confident60 Ų6072.8 Ų72.832%0.32139%0.393SS..EExtended strand (participates in β ladder)trans-92.4103.7170.3-176.4-11000108.2S535 S536 C537 T538 V540N533-S535 PolarHBondContact O-N 2.88Å; N533-S535 WeakPolarHBondContact OD1-CB 3.45Å; N533-S535 PolarHBondContact OD1-N 3.31Å; N533-S536 WeakPolarHBondContact CB-OG 3.21Å; N533-S536 PolarHBondContact ND2-OG 3.47Å; N533-S536 VanDerWaalsContact ND2-OG 3.08Å; N533-S536 PolarHBondContact O-N 2.79Å; N533-S536 PolarHBondContact OD1-N 3.04Å; N533-C537 WeakPolarHBondContact O-CA 3.41Å; N533-C537 PolarHBondContact O-N 3.47Å; N533-T538 PolarHBondContact N-O 3.31Å; N533-T538 PolarHBondContact O-N 3.34Å; N533-V540 HydrophobicContact CB-CG2 3.99Å
534P80.3Confident69.3Low93 Ų9375 Ų7560%0.60441%0.405SS*.THydrogen-bonded Turntrans-67.3-23.4-179.228.2-35.2000112.8Y532Y532-P534 HydrophobicContact CD1-CB 4.39Å; Y532-P534 HydrophobicContact CE1-CB 4.35Å; Y532-P534 VanDerWaalsContact O-CD 3.24Å; Y532-P534 WeakPolarHBondContact O-CD 3.43Å
535S78.2Confident68.1Low115 Ų11567.3 Ų67.380%0.80438%0.384SS*.THydrogen-bonded Turntrans-73.2-37.4179.9-56.90000112.3N533N533-S535 PolarHBondContact O-N 2.88Å; N533-S535 WeakPolarHBondContact OD1-CB 3.45Å; N533-S535 PolarHBondContact OD1-N 3.31Å
536S80.2Confident67.1Low56 Ų5673.3 Ų73.339%0.39241%0.409SS..THydrogen-bonded Turntrans-99.80.2176.555.80000113.6N533 T538N533-S536 WeakPolarHBondContact CB-OG 3.21Å; N533-S536 PolarHBondContact ND2-OG 3.47Å; N533-S536 VanDerWaalsContact ND2-OG 3.08Å; N533-S536 PolarHBondContact O-N 2.79Å; N533-S536 PolarHBondContact OD1-N 3.04Å; S536-T538 VanDerWaalsContact C-N 3.26Å; S536-T538 WeakPolarHBondContact O-CG2 3.49Å; S536-T538 PolarHBondContact O-N 2.78Å; S536-T538 PolarHBondContact OG-OG1 3.19Å
537C81Confident66.6Low31 Ų3167 Ų6721%0.20939%0.394CS..THydrogen-bonded Turntrans49.942.8-174.1-63.30000113.5N443 Y532 N533N443-C537 HydrophobicContact CB-CB 4.2Å; Y532-C537 WeakPolarHBondContact OH-CA 3.02Å; N533-C537 WeakPolarHBondContact O-CA 3.41Å; N533-C537 PolarHBondContact O-N 3.47Å
538T86.3Confident65.8Low39 Ų3967.8 Ų67.824%0.23940%0.398CS..EExtended strand (participates in β ladder)trans-132.6150.6-176.447.90000112.4Y532 N533 S536Y532-T538 WeakPolarHBondContact CD2-O 3.48Å; N533-T538 PolarHBondContact N-O 3.31Å; N533-T538 PolarHBondContact O-N 3.34Å; S536-T538 VanDerWaalsContact C-N 3.26Å; S536-T538 WeakPolarHBondContact O-CG2 3.49Å; S536-T538 PolarHBondContact O-N 2.78Å; S536-T538 PolarHBondContact OG-OG1 3.19Å
539F84.2Confident65.4Low7 Ų766.2 Ų66.23%0.03139%0.387CS..EExtended strand (participates in β ladder)trans-79.7139.5170.1-61.4-84.5000110.3V435 L438 N439 L516 H520 I523 I530 A531 Y532V435-F539 HydrophobicContact CB-CB 4.41Å; V435-F539 HydrophobicContact CG1-CB 3.81Å; V435-F539 WeakPolarHBondContact CG1-O 3.24Å; V435-F539 HydrophobicContact CG2-CB 4.13Å; L438-F539 HydrophobicContact CB-CD2 3.85Å; L438-F539 HydrophobicContact CB-CE2 4.12Å; L438-F539 HydrophobicContact CD1-CD2 4.18Å; L438-F539 HydrophobicContact CD1-CE2 4.22Å; L438-F539 HydrophobicContact CD1-CG 4.48Å; N439-F539 PolarHBondContact ND2-O 3.02Å; N439-F539 PolarHBondContact OD1-N 2.73Å; L516-F539 HydrophobicContact CD2-CE2 3.85Å; H520-F539 AromaticContact CD2-CZ 3.98Å; H520-F539 AromaticContact NE2-CZ 3.96Å; I523-F539 HydrophobicContact CD1-CD1 3.96Å; I523-F539 HydrophobicContact CD1-CE1 3.97Å; I530-F539 HydrophobicContact CG2-CD1 4.42Å; A531-F539 CarbonylContact O-C 3.54Å; A531-F539 WeakPolarHBondContact O-CA 3.4Å; Y532-F539 AromaticContact CD2-CD1 3.89Å; Y532-F539 HydrophobicContact CD2-CD1 3.89Å; Y532-F539 HydrophobicContact CD2-CD2 4.45Å; Y532-F539 AromaticContact CD2-CE1 3.81Å; Y532-F539 HydrophobicContact CD2-CE1 3.81Å; Y532-F539 HydrophobicContact CD2-CE2 4.39Å; Y532-F539 HydrophobicContact CD2-CG 4.21Å; Y532-F539 HydrophobicContact CD2-CZ 4.07Å; Y532-F539 HydrophobicContact CE2-CE1 4.41Å; Y532-F539 HydrophobicContact CE2-CE2 4.31Å; Y532-F539 HydrophobicContact CE2-CZ 4.21Å
540V80.3Confident64.5Low64 Ų6464.2 Ų64.239%0.38839%0.389SS..EExtended strand (participates in β ladder)trans-127.1140.4-177.2-175.70000109.5I530 A531 N533I530-V540 WeakPolarHBondContact CA-O 3.38Å; A531-V540 PolarHBondContact N-O 3.16Å; A531-V540 PolarHBondContact O-N 3.49Å; N533-V540 HydrophobicContact CB-CG2 3.99Å
541C67.7Low63.1Low35 Ų3565.7 Ų65.724%0.23640%0.4CS..  trans-115.7121.3171.6-170.60000110R529R529-C541 WeakPolarHBondContact O-CA 3.48Å; R529-C541 WeakPolarHBondContact O-CB 3.36Å; R529-C541 PolarHBondContact O-SG 3.09Å
542P53.9Low61.6Low69 Ų6966.6 Ų66.645%0.44840%0.395SS..  trans-57.6149.3177.5-21.331.8000112.4R529 D544R529-P542 WeakPolarHBondContact O-CD 3.28Å; P542-D544 PolarHBondContact O-N 2.61Å
543P48.7Very low59.8Low123 Ų12366.5 Ų66.580%0.79940%0.398SS*.SBendtrans-75.193.3-165.429.9-34.4000112.8
544D48.4Very low58.2Low95 Ų9567.6 Ų67.651%0.50841%0.406SS..  trans-105.118.6134.3-102.9-23.7000110.5R529 P542 K546 T547R529-D544 IonicContact NH2-OD2 3.8Å; P542-D544 PolarHBondContact O-N 2.61Å; D544-K546 PolarHBondContact O-N 3.35Å; D544-T547 WeakPolarHBondContact O-CB 3.41Å; D544-T547 PolarHBondContact O-N 3.39Å; D544-T547 PolarHBondContact O-OG1 2.92Å
545A42.4Very low56.3Low45 Ų4567 Ų6737%0.37240%0.397SS..Hα-helixtrans-53.8-28.2-179.400000113.2T547 I548 T549A545-T547 VanDerWaalsContact C-N 3.3Å; A545-T547 PolarHBondContact O-N 3.42Å; A545-I548 CarbonylContact O-C 3.45Å; A545-I548 WeakPolarHBondContact O-CA 3.34Å; A545-I548 VanDerWaalsContact O-CB 3.22Å; A545-I548 WeakPolarHBondContact O-CB 3.49Å; A545-I548 PolarHBondContact O-N 3.35Å; A545-T549 PolarHBondContact O-N 2.95Å; A545-T549 PolarHBondContact O-OG1 3.06Å
546K42.8Very low54.5Low166 Ų16667.6 Ų67.672%0.72238%0.382SS*.Hα-helixtrans-61.9-36.7175.9-121.4175.5-177.8178.20112.5D544 I548 T549 T550D544-K546 PolarHBondContact O-N 3.35Å; K546-I548 VanDerWaalsContact C-N 3.28Å; K546-I548 PolarHBondContact O-N 3.08Å; K546-T549 PolarHBondContact O-N 3.46Å; K546-T550 WeakPolarHBondContact O-CB 3.32Å; K546-T550 PolarHBondContact O-N 3.45Å; K546-T550 PolarHBondContact O-OG1 3.44Å
547T43.8Very low52.9Low78 Ų7870.6 Ų70.648%0.47939%0.39SS..Hα-helixtrans-70.4-30.4175.4-41.40000111.4D544 A545 S551D544-T547 WeakPolarHBondContact O-CB 3.41Å; D544-T547 PolarHBondContact O-N 3.39Å; D544-T547 PolarHBondContact O-OG1 2.92Å; A545-T547 VanDerWaalsContact C-N 3.3Å; A545-T547 PolarHBondContact O-N 3.42Å; T547-S551 WeakPolarHBondContact O-CB 3.48Å; T547-S551 PolarHBondContact O-N 3.31Å; T547-S551 VanDerWaalsContact O-N 3.11Å; T547-S551 PolarHBondContact O-OG 3.27Å
548I42.2Very low51.1Low22 Ų2273.4 Ų73.411%0.11340%0.403CS..Hα-helixtrans-69.3-48.3173.7-48.3-176.2000109.7N429 P432 A545 K546 S551 Y552N429-I548 HydrophobicContact CB-CD1 4.2Å; N429-I548 HydrophobicContact CB-CG1 4.06Å; N429-I548 HydrophobicContact CB-CG2 4.06Å; P432-I548 HydrophobicContact CB-CD1 3.45Å; P432-I548 VanDerWaalsContact CB-CD1 3.45Å; P432-I548 HydrophobicContact CG-CD1 3.26Å; A545-I548 CarbonylContact O-C 3.45Å; A545-I548 WeakPolarHBondContact O-CA 3.34Å; A545-I548 VanDerWaalsContact O-CB 3.22Å; A545-I548 WeakPolarHBondContact O-CB 3.49Å; A545-I548 PolarHBondContact O-N 3.35Å; K546-I548 VanDerWaalsContact C-N 3.28Å; K546-I548 PolarHBondContact O-N 3.08Å; I548-S551 PolarHBondContact O-N 3.05Å; I548-Y552 HydrophobicContact CG2-CD2 3.78Å; I548-Y552 HydrophobicContact CG2-CE2 3.91Å; I548-Y552 VanDerWaalsContact O-CB 3.31Å; I548-Y552 WeakPolarHBondContact O-CB 3.43Å; I548-Y552 WeakPolarHBondContact O-CD2 3.49Å; I548-Y552 PolarHBondContact O-N 2.97Å
549T43.4Very low48.9Very low51 Ų5174.2 Ų74.231%0.31340%0.403SS..Hα-helixtrans-63.3-42.4177.3-41.90000111.3K340 A545 K546 Y552 N553K340-T549 HydrophobicContact CG-CG2 4.43Å; A545-T549 PolarHBondContact O-N 2.95Å; A545-T549 PolarHBondContact O-OG1 3.06Å; K546-T549 PolarHBondContact O-N 3.46Å; T549-Y552 PolarHBondContact O-N 3.33Å; T549-N553 VanDerWaalsContact O-CB 3.29Å; T549-N553 WeakPolarHBondContact O-CB 3.37Å; T549-N553 PolarHBondContact O-N 3.02Å; T549-N553 PolarHBondContact O-ND2 3.24Å; T549-N553 VanDerWaalsContact O-ND2 3.15Å; T549-N553 PolarHBondContact O-OD1 2.91Å
550T45.8Very low46.9Very low85 Ų8577 Ų7752%0.52142%0.415SS..Hα-helixtrans-66.5-41.4178.6-52.50000112K546 N553 V554K546-T550 WeakPolarHBondContact O-CB 3.32Å; K546-T550 PolarHBondContact O-N 3.45Å; K546-T550 PolarHBondContact O-OG1 3.44Å; T550-N553 PolarHBondContact O-N 3.39Å; T550-V554 WeakPolarHBondContact O-CG2 3.35Å; T550-V554 PolarHBondContact O-N 2.97Å
551S39.4Very low45.4Very low46 Ų4677.6 Ų77.632%0.32242%0.422SS..Hα-helixtrans-71.1-35.1177.4-55.20000112.3T547 I548 V554 L555T547-S551 WeakPolarHBondContact O-CB 3.48Å; T547-S551 PolarHBondContact O-N 3.31Å; T547-S551 VanDerWaalsContact O-N 3.11Å; T547-S551 PolarHBondContact O-OG 3.27Å; I548-S551 PolarHBondContact O-N 3.05Å; S551-V554 PolarHBondContact O-N 3.08Å; S551-L555 PolarHBondContact O-N 3.26Å
552Y41.4Very low44.4Very low65 Ų6578.9 Ų78.926%0.25543%0.429SS..Hα-helixtrans-66-40.5170.6-103.3-89.5000112.1Q320 R433 I548 T549 V554 L555 R556Q320-Y552 PolarHBondContact OE1-OH 2.81Å; Q320-Y552 VanDerWaalsContact OE1-OH 3.12Å; R433-Y552 WeakPolarHBondContact CD-OH 3.24Å; R433-Y552 HydrophobicContact CG-CE2 4.04Å; R433-Y552 VanDerWaalsContact CG-OH 3.3Å; R433-Y552 WeakPolarHBondContact CG-OH 3.29Å; R433-Y552 VanDerWaalsContact CZ-CE1 3.49Å; R433-Y552 VanDerWaalsContact NE-CE2 3.3Å; R433-Y552 PolarHBondContact NE-OH 3.26Å; R433-Y552 PolarHBondContact NH1-OH 3.12Å; R433-Y552 VanDerWaalsContact NH2-CD2 3.31Å; I548-Y552 HydrophobicContact CG2-CD2 3.78Å; I548-Y552 HydrophobicContact CG2-CE2 3.91Å; I548-Y552 VanDerWaalsContact O-CB 3.31Å; I548-Y552 WeakPolarHBondContact O-CB 3.43Å; I548-Y552 WeakPolarHBondContact O-CD2 3.49Å; I548-Y552 PolarHBondContact O-N 2.97Å; T549-Y552 PolarHBondContact O-N 3.33Å; Y552-V554 VanDerWaalsContact C-N 3.3Å; Y552-V554 PolarHBondContact O-N 2.98Å; Y552-L555 PolarHBondContact O-N 3.06Å; Y552-R556 WeakPolarHBondContact O-CB 3.49Å; Y552-R556 PolarHBondContact O-N 3.39Å
553N44Very low44.1Very low52 Ų5275.9 Ų75.928%0.27841%0.409SS..Hα-helixtrans-63.1-39.3176.9-70.9-24.4000110.1T549 T550 R556 E557T549-N553 VanDerWaalsContact O-CB 3.29Å; T549-N553 WeakPolarHBondContact O-CB 3.37Å; T549-N553 PolarHBondContact O-N 3.02Å; T549-N553 PolarHBondContact O-ND2 3.24Å; T549-N553 VanDerWaalsContact O-ND2 3.15Å; T549-N553 PolarHBondContact O-OD1 2.91Å; T550-N553 PolarHBondContact O-N 3.39Å; N553-R556 CarbonylContact O-C 3.55Å; N553-R556 PolarHBondContact O-N 3.49Å; N553-E557 WeakPolarHBondContact O-CB 3.34Å; N553-E557 WeakPolarHBondContact O-CG 3.27Å; N553-E557 PolarHBondContact O-N 3.06Å
554V48.5Very low44.4Very low82 Ų8272.4 Ų72.450%0.49739%0.391SS..Hα-helixtrans-62.4-46.4174.8173.60000111.6T550 S551 Y552 R556 E557 D558T550-V554 WeakPolarHBondContact O-CG2 3.35Å; T550-V554 PolarHBondContact O-N 2.97Å; S551-V554 PolarHBondContact O-N 3.08Å; Y552-V554 VanDerWaalsContact C-N 3.3Å; Y552-V554 PolarHBondContact O-N 2.98Å; V554-R556 VanDerWaalsContact C-N 3.32Å; V554-R556 PolarHBondContact O-N 3.22Å; V554-E557 PolarHBondContact O-N 3.05Å; V554-D558 PolarHBondContact O-N 2.89Å
555L39Very low44.8Very low80 Ų8071.2 Ų71.242%0.41940%0.401SS..Hα-helixtrans-66.9-33.5176.3-69.8171.4000112.8S551 Y552 F559S551-L555 PolarHBondContact O-N 3.26Å; Y552-L555 PolarHBondContact O-N 3.06Å; L555-F559 WeakPolarHBondContact O-CB 3.45Å; L555-F559 PolarHBondContact O-N 3.19Å
556R41.6Very low45.2Very low129 Ų12972.1 Ų72.149%0.48740%0.399SS..Hα-helixtrans-72.7-35.1175.7-170.2176.1-175.2-178.7-1.9111.6Y552 N553 V554 F559 K560 L738 F739Y552-R556 WeakPolarHBondContact O-CB 3.49Å; Y552-R556 PolarHBondContact O-N 3.39Å; N553-R556 CarbonylContact O-C 3.55Å; N553-R556 PolarHBondContact O-N 3.49Å; V554-R556 VanDerWaalsContact C-N 3.32Å; V554-R556 PolarHBondContact O-N 3.22Å; R556-F559 PolarHBondContact O-N 2.93Å; R556-K560 WeakPolarHBondContact O-CB 3.34Å; R556-K560 PolarHBondContact O-N 3.45Å; R556-L738 PolarHBondContact NH2-O 3.3Å; R556-L738 VanDerWaalsContact NH2-O 3.11Å; R556-F739 HydrophobicContact CG-CE1 3.95Å
557E46.3Very low45.7Very low118 Ų11865.6 Ų65.655%0.55137%0.372SS*.Hα-helixtrans-70.5-40.3174.4-75.2-90.7130.800111.1N553 V554 F559 K560 S561N553-E557 WeakPolarHBondContact O-CB 3.34Å; N553-E557 WeakPolarHBondContact O-CG 3.27Å; N553-E557 PolarHBondContact O-N 3.06Å; V554-E557 PolarHBondContact O-N 3.05Å; E557-F559 VanDerWaalsContact C-N 3.34Å; E557-K560 PolarHBondContact O-N 3.39Å; E557-S561 WeakPolarHBondContact O-CB 3.06Å; E557-S561 PolarHBondContact O-N 3.42Å; E557-S561 PolarHBondContact O-OG 3.09Å; E557-S561 VanDerWaalsContact O-OG 3.04Å
558D43.3Very low46.6Very low90 Ų9066.3 Ų66.348%0.48137%0.368SS..Hα-helixtrans-62.3-43.1171.1-78-9.1000110.6V554 S561 T562V554-D558 PolarHBondContact O-N 2.89Å; D558-S561 PolarHBondContact O-OG 3.45Å; D558-T562 WeakPolarHBondContact O-CB 3.29Å; D558-T562 PolarHBondContact O-N 2.93Å; D558-T562 PolarHBondContact O-OG1 2.93Å
559F38.8Very low47.6Very low57 Ų5774.3 Ų74.325%0.2541%0.405CS..Hα-helixtrans-64.3-41.1174-170.8-99.1000112.2L555 R556 E557 M563 F739L555-F559 WeakPolarHBondContact O-CB 3.45Å; L555-F559 PolarHBondContact O-N 3.19Å; R556-F559 PolarHBondContact O-N 2.93Å; E557-F559 VanDerWaalsContact C-N 3.34Å; F559-M563 HydrophobicContact CD1-CG 4.19Å; F559-M563 HydrophobicContact CE1-CG 3.85Å; F559-M563 HydrophobicContact CE2-CG 4.22Å; F559-M563 HydrophobicContact CZ-CG 3.87Å; F559-M563 HydrophobicContact CZ-SD 4.41Å; F559-M563 VanDerWaalsContact O-CB 3.23Å; F559-M563 WeakPolarHBondContact O-CB 3.45Å; F559-M563 WeakPolarHBondContact O-CG 3.3Å; F559-M563 PolarHBondContact O-N 3.3Å; F559-F739 HydrophobicContact CD1-CE2 4.27Å; F559-F739 AromaticContact CD1-CZ 3.92Å; F559-F739 HydrophobicContact CD1-CZ 3.92Å; F559-F739 HydrophobicContact CE1-CE2 4.28Å; F559-F739 HydrophobicContact CE1-CZ 4.29Å
560K43Very low49.2Very low66 Ų6679.9 Ų79.929%0.28743%0.425SS..Hα-helixtrans-65-46.2178.5-172.2177.4-179.1179.40111.7R556 E557 A564 Y735 F739R556-K560 WeakPolarHBondContact O-CB 3.34Å; R556-K560 PolarHBondContact O-N 3.45Å; E557-K560 PolarHBondContact O-N 3.39Å; K560-A564 WeakPolarHBondContact O-CB 3.3Å; K560-A564 PolarHBondContact O-N 3.15Å; K560-Y735 HydrophobicContact CG-CE2 4.38Å; K560-F739 HydrophobicContact CB-CE1 4.45Å; K560-F739 HydrophobicContact CD-CD1 4.33Å; K560-F739 HydrophobicContact CG-CD1 4.47Å
561S49.7Very low50.7Low75 Ų7577.4 Ų77.452%0.52441%0.409SS..Hα-helixtrans-66.2-40.1179.360.50000112.1E557 D558E557-S561 WeakPolarHBondContact O-CB 3.06Å; E557-S561 PolarHBondContact O-N 3.42Å; E557-S561 PolarHBondContact O-OG 3.09Å; E557-S561 VanDerWaalsContact O-OG 3.04Å; D558-S561 PolarHBondContact O-OG 3.45Å
562T46.3Very low52.4Low63 Ų6377.2 Ų77.239%0.38741%0.406SS..Hα-helixtrans-76.2-34.1-179.3-33.80000112.4Y208 D558 L566Y208-T562 HydrophobicContact CE1-CG2 3.7Å; Y208-T562 VanDerWaalsContact OH-CB 3.28Å; Y208-T562 WeakPolarHBondContact OH-CB 3.19Å; Y208-T562 WeakPolarHBondContact OH-CG2 3.5Å; D558-T562 WeakPolarHBondContact O-CB 3.29Å; D558-T562 PolarHBondContact O-N 2.93Å; D558-T562 PolarHBondContact O-OG1 2.93Å; T562-L566 WeakPolarHBondContact O-CD1 3.34Å
563M47.6Very low54.1Low5 Ų575.1 Ų75.13%0.02540%0.399CS..Hα-helixtrans-72.6-39.1174.1-81.4-75.3-70.500113.3F559 G565 L566 I567 L731 Y735F559-M563 HydrophobicContact CD1-CG 4.19Å; F559-M563 HydrophobicContact CE1-CG 3.85Å; F559-M563 HydrophobicContact CE2-CG 4.22Å; F559-M563 HydrophobicContact CZ-CG 3.87Å; F559-M563 HydrophobicContact CZ-SD 4.41Å; F559-M563 VanDerWaalsContact O-CB 3.23Å; F559-M563 WeakPolarHBondContact O-CB 3.45Å; F559-M563 WeakPolarHBondContact O-CG 3.3Å; F559-M563 PolarHBondContact O-N 3.3Å; M563-G565 PolarHBondContact O-N 3.33Å; M563-L566 PolarHBondContact O-N 2.88Å; M563-I567 HydrophobicContact CB-CD1 4.32Å; M563-I567 HydrophobicContact CE-CD1 4.02Å; M563-I567 WeakPolarHBondContact O-CD1 3.37Å; M563-I567 WeakPolarHBondContact O-CG1 3.48Å; M563-I567 PolarHBondContact O-N 2.72Å; M563-L731 HydrophobicContact CE-CB 4.43Å; M563-L731 HydrophobicContact CE-CD2 3.65Å; M563-L731 HydrophobicContact SD-CD2 4.11Å; M563-Y735 HydrophobicContact CB-CD2 4.16Å; M563-Y735 HydrophobicContact CB-CE2 4.47Å
564A55.2Low55.6Low50 Ų5076.7 Ų76.741%0.41341%0.412SS..Hα-helixtrans-59.3-30.5-17900000112.7K560 L566 Y735K560-A564 WeakPolarHBondContact O-CB 3.3Å; K560-A564 PolarHBondContact O-N 3.15Å; A564-L566 VanDerWaalsContact C-N 3.27Å; A564-L566 PolarHBondContact O-N 3.1Å; A564-Y735 HydrophobicContact CB-CE2 4.41Å
565G57.5Low57.1Low70 Ų7077.9 Ų77.972%0.72242%0.416SS*.THydrogen-bonded Turntrans-72.1-13.4175.700000115.3M563M563-G565 PolarHBondContact O-N 3.33Å
566L49.1Very low58.8Low65 Ų6575.8 Ų75.834%0.3440%0.404SS..THydrogen-bonded Turntrans-110.6-9.8-171.4-62164.3000113.6L209 T562 M563 A564L209-L566 HydrophobicContact CD1-CD1 3.36Å; L209-L566 HydrophobicContact CD1-CD2 4.09Å; L209-L566 HydrophobicContact CD1-CG 4.33Å; L209-L566 HydrophobicContact CD2-CD1 3.44Å; L209-L566 VanDerWaalsContact CD2-CD1 3.44Å; L209-L566 HydrophobicContact CG-CD1 3.99Å; T562-L566 WeakPolarHBondContact O-CD1 3.34Å; M563-L566 PolarHBondContact O-N 2.88Å; A564-L566 VanDerWaalsContact C-N 3.27Å; A564-L566 PolarHBondContact O-N 3.1Å
567I54.8Low60.6Low28 Ų2869.8 Ų69.814%0.14438%0.383CS..SBendtrans-95129-175.5-64.6158.9000109.2M563 L731 Y732 Y735M563-I567 HydrophobicContact CB-CD1 4.32Å; M563-I567 HydrophobicContact CE-CD1 4.02Å; M563-I567 WeakPolarHBondContact O-CD1 3.37Å; M563-I567 WeakPolarHBondContact O-CG1 3.48Å; M563-I567 PolarHBondContact O-N 2.72Å; I567-L731 HydrophobicContact CG1-CB 4.45Å; I567-Y732 HydrophobicContact CG2-CD2 3.69Å; I567-Y732 HydrophobicContact CG2-CG 4.33Å; I567-Y735 HydrophobicContact CD1-CD1 3.78Å; I567-Y735 HydrophobicContact CD1-CD2 3.35Å; I567-Y735 HydrophobicContact CD1-CE1 4.46Å; I567-Y735 HydrophobicContact CD1-CE2 4.1Å; I567-Y735 HydrophobicContact CD1-CG 3.17Å
568K60.8Low62.2Low93 Ų9367.3 Ų67.340%0.40438%0.375SS..  trans-66.2146.9173.4-67.3-179.4-178.8173.70109.8K570 P572 D725 Y732K568-K570 PolarHBondContact O-N 2.85Å; K568-P572 HydrophobicContact CD-CB 4.4Å; K568-P572 HydrophobicContact CD-CG 4.47Å; K568-D725 IonicContact NZ-OD1 2.76Å; K568-Y732 WeakPolarHBondContact O-CD2 3.29Å
569E64.1Low64.3Low190 Ų19065.3 Ų65.389%0.88836%0.363SS*.SBendtrans-58.1-21.2178.3-71.7-172.5164.100114.1
570K77.7Confident66.6Low169 Ų16962.6 Ų62.674%0.73535%0.351SS*.SBendtrans-131.5145.5178.1-66.7-175.3178.7-179.10110K568 P572K568-K570 PolarHBondContact O-N 2.85Å; K570-P572 VanDerWaalsContact O-CD 3.27Å; K570-P572 WeakPolarHBondContact O-CD 3.4Å
571D77.3Confident68.9Low32 Ų3259.5 Ų59.517%0.17134%0.337CS..  trans-58.6114.4170.7-171-10.8000110M573 P574 S729 Y732 K733D571-M573 VanDerWaalsContact C-N 3.27Å; D571-M573 PolarHBondContact O-N 3.13Å; D571-M573 PolarHBondContact OD1-N 2.65Å; D571-P574 WeakPolarHBondContact OD2-CA 3.43Å; D571-S729 WeakPolarHBondContact OD1-CA 3.45Å; D571-S729 WeakPolarHBondContact OD1-CB 3.5Å; D571-S729 PolarHBondContact OD1-OG 2.7Å; D571-S729 PolarHBondContact OD2-OG 2.7Å; D571-Y732 HydrophobicContact CB-CD1 3.65Å; D571-Y732 HydrophobicContact CB-CE1 3.72Å; D571-Y732 HydrophobicContact CB-CG 4.18Å; D571-K733 WeakPolarHBondContact OD2-CE 3.38Å; D571-K733 IonicContact OD2-NZ 3.91Å
572P74.9Confident70.9Confident42 Ų4255.9 Ų55.927%0.27331%0.312SS..SBendtrans-71.8-20179.930.1-35.7000113.1K568 K570 D725 H728K568-P572 HydrophobicContact CD-CB 4.4Å; K568-P572 HydrophobicContact CD-CG 4.47Å; K570-P572 VanDerWaalsContact O-CD 3.27Å; K570-P572 WeakPolarHBondContact O-CD 3.4Å; P572-D725 HydrophobicContact CB-CB 4.31Å; P572-D725 WeakPolarHBondContact CG-O 3.36Å; P572-H728 HydrophobicContact CG-CB 3.79Å
573M77.1Confident73Confident22 Ų2252.9 Ų52.911%0.10829%0.294CS..  trans-142.778-178.7-163.115977.300111.6D571 N575 I576 F722 W726 S729 K733D571-M573 VanDerWaalsContact C-N 3.27Å; D571-M573 PolarHBondContact O-N 3.13Å; D571-M573 PolarHBondContact OD1-N 2.65Å; M573-N575 VanDerWaalsContact C-N 3.34Å; M573-N575 PolarHBondContact O-N 2.93Å; M573-I576 HydrophobicContact CE-CB 4.07Å; M573-I576 HydrophobicContact CE-CG1 3.77Å; M573-I576 HydrophobicContact CE-CG2 3.88Å; M573-I576 HydrophobicContact CG-CG1 4.26Å; M573-I576 WeakPolarHBondContact O-CG1 3.5Å; M573-F722 HydrophobicContact CE-CE1 4.37Å; M573-F722 HydrophobicContact CE-CE2 3.89Å; M573-F722 HydrophobicContact CE-CZ 3.78Å; M573-F722 HydrophobicContact SD-CD2 4.21Å; M573-F722 HydrophobicContact SD-CE2 3.77Å; M573-F722 HydrophobicContact SD-CZ 4.29Å; M573-W726 HydrophobicContact CE-CB 3.6Å; M573-W726 HydrophobicContact CE-CG 4.27Å; M573-S729 PolarHBondContact O-OG 3.46Å; M573-K733 PolarHBondContact O-NZ 2.83Å
574P75.9Confident74.9Confident85 Ų8552.8 Ų52.855%0.55229%0.293SS*.SBendtrans-57.1-47.8-177.7-22.432000112.1D571 K733D571-P574 WeakPolarHBondContact OD2-CA 3.43Å; P574-K733 PolarHBondContact O-NZ 3.03Å
575N78.4Confident76.5Confident106 Ų10653.1 Ų53.157%0.56728%0.284SS*.SBendtrans-103.5101.8177.2-66.6-16.2000109M573 P577M573-N575 VanDerWaalsContact C-N 3.34Å; M573-N575 PolarHBondContact O-N 2.93Å; N575-P577 WeakPolarHBondContact O-CD 3.45Å
576I75.2Confident77.9Confident36 Ų3649.8 Ų49.819%0.18525%0.25CS..  trans-81.3119.1-179.8-64.4177.1000108.2M573 V578 H603M573-I576 HydrophobicContact CE-CB 4.07Å; M573-I576 HydrophobicContact CE-CG1 3.77Å; M573-I576 HydrophobicContact CE-CG2 3.88Å; M573-I576 HydrophobicContact CG-CG1 4.26Å; M573-I576 WeakPolarHBondContact O-CG1 3.5Å; I576-V578 PolarHBondContact O-N 3.44Å; I576-H603 WeakPolarHBondContact CG2-CE1 3.18Å
577P78.8Confident79.7Confident4 Ų446.7 Ų46.73%0.02623%0.234CC..  trans-62127.8-179.9-26.837.4000112.2N575 H603 A689 V715 F722N575-P577 WeakPolarHBondContact O-CD 3.45Å; P577-H603 PolarHBondContact O-CE1 3.21Å; P577-H603 PolarHBondContact O-ND1 3.31Å; P577-A689 HydrophobicContact CB-CB 3.86Å; P577-A689 HydrophobicContact CG-CB 4.08Å; P577-V715 HydrophobicContact CG-CG1 4.36Å; P577-F722 HydrophobicContact CG-CE2 3.92Å; P577-F722 HydrophobicContact CG-CZ 4.31Å
578V81Confident81.2Confident66 Ų6646 Ų4640%0.423%0.231SC..SBendtrans-72.7-40.5-179179.90000111.2I576 H603 V604 N687I576-V578 PolarHBondContact O-N 3.44Å; V578-H603 CarbonylContact O-C 3.58Å; V578-H603 WeakPolarHBondContact O-CA 3.28Å; V578-V604 PolarHBondContact O-N 2.94Å; V578-N687 PolarHBondContact N-O 3.17Å
579H86.4Confident82.1Confident48 Ų4845.5 Ų45.522%0.22223%0.23CC..EExtended strand (participates in β ladder)trans-97.8124.1-176.7-54.395.3000111.2V604 I606 L676 N687 A688 A689H579-V604 CarbonylContact C-O 3.57Å; H579-V604 WeakPolarHBondContact CA-O 3.45Å; H579-I606 HydrophobicContact CB-CD1 3.92Å; H579-L676 HydrophobicContact CB-CD1 3.85Å; H579-N687 WeakPolarHBondContact CB-O 3.41Å; H579-N687 PolarHBondContact N-O 3.44Å; H579-N687 PolarHBondContact ND1-O 2.85Å; H579-A688 HydrophobicContact CB-CB 4.23Å; H579-A688 CarbonylContact O-C 3.59Å; H579-A688 VanDerWaalsContact O-CA 3.26Å; H579-A688 WeakPolarHBondContact O-CA 3.44Å; H579-A689 PolarHBondContact O-N 3.12Å
580L88.9Confident82.7Confident0 Ų037.5 Ų37.50%019%0.193CC..EExtended strand (participates in β ladder)trans-105.3123.7174.5-57.5-177.9000109P582 M597 H603 V604 L605 I606 A689 L691 F722L580-P582 WeakPolarHBondContact O-CD 3.36Å; L580-M597 HydrophobicContact CD1-CB 4.04Å; L580-M597 HydrophobicContact CD1-CE 4.19Å; L580-M597 HydrophobicContact CD1-SD 4.39Å; L580-H603 HydrophobicContact CD1-CB 3.61Å; L580-H603 HydrophobicContact CG-CB 3.91Å; L580-V604 PolarHBondContact N-O 3.19Å; L580-L605 HydrophobicContact CB-CD1 3.85Å; L580-L605 CarbonylContact O-C 3.57Å; L580-L605 WeakPolarHBondContact O-CA 3.07Å; L580-I606 PolarHBondContact O-N 3.16Å; L580-A689 CarbonylContact C-O 3.52Å; L580-A689 WeakPolarHBondContact CA-O 3.28Å; L580-A689 HydrophobicContact CD2-CB 3.88Å; L580-L691 HydrophobicContact CB-CD1 3.98Å; L580-L691 HydrophobicContact CB-CG 4.49Å; L580-L691 HydrophobicContact CD1-CD1 4.17Å; L580-L691 HydrophobicContact CD2-CD1 4.28Å; L580-L691 HydrophobicContact CG-CD1 4.36Å; L580-F722 HydrophobicContact CD2-CE1 3.68Å; L580-F722 HydrophobicContact CD2-CZ 3.67Å
581V90.4Very high82.9Confident0 Ų030.2 Ų30.20%016%0.162CC..EExtended strand (participates in β ladder)trans-120.292-178.2-164.20000109.2I606 I669 C673 A689 I690 L691V581-I606 HydrophobicContact CG2-CB 4.17Å; V581-I606 HydrophobicContact CG2-CD1 4.47Å; V581-I669 HydrophobicContact CB-CG2 4.36Å; V581-I669 HydrophobicContact CG1-CB 4.31Å; V581-I669 HydrophobicContact CG1-CG1 4.23Å; V581-I669 HydrophobicContact CG1-CG2 3.68Å; V581-C673 VanDerWaalsContact CG2-SG 3.6Å; V581-A689 PolarHBondContact N-O 2.83Å; V581-I690 CarbonylContact O-C 3.45Å; V581-I690 WeakPolarHBondContact O-CA 3.35Å; V581-L691 PolarHBondContact O-N 2.73Å
582P91.5Very high82.5Confident0 Ų033 Ų330%017%0.174CC..EExtended strand (participates in β ladder)trans-81.8144.9-17535.4-38.5000112.5L580 A586 L587 I594 L605 I606 I607 L691L580-P582 WeakPolarHBondContact O-CD 3.36Å; P582-A586 HydrophobicContact CB-CB 3.94Å; P582-L587 HydrophobicContact CB-CD2 4.41Å; P582-L587 HydrophobicContact CB-CG 4.11Å; P582-L587 HydrophobicContact CG-CD1 4.24Å; P582-L587 HydrophobicContact CG-CD2 4.17Å; P582-L587 HydrophobicContact CG-CG 4.08Å; P582-I594 HydrophobicContact CB-CD1 4.09Å; P582-L605 HydrophobicContact CG-CD1 3.73Å; P582-L605 HydrophobicContact CG-CD2 4.46Å; P582-L605 HydrophobicContact CG-CG 4.18Å; P582-I606 WeakPolarHBondContact CD-O 3.15Å; P582-I607 HydrophobicContact CG-CD1 3.31Å; P582-L691 CarbonylContact C-O 3.58Å; P582-L691 VanDerWaalsContact CA-O 3.3Å; P582-L691 WeakPolarHBondContact CA-O 3.17Å; P582-L691 HydrophobicContact CB-CB 4.26Å
583D89.9Confident82.6Confident0 Ų031.6 Ų31.60%016%0.164CC..  trans-78.3166.116483.9-1.4000111.4Y585 A586 L587 Y666 I669 L691 T692 G693D583-Y585 PolarHBondContact O-N 3.07Å; D583-Y585 VanDerWaalsContact O-N 3.1Å; D583-Y585 WeakPolarHBondContact OD1-CA 3.39Å; D583-Y585 WeakPolarHBondContact OD1-CB 3.34Å; D583-Y585 PolarHBondContact OD1-N 3.16Å; D583-A586 WeakPolarHBondContact O-CB 3.15Å; D583-A586 PolarHBondContact O-N 2.94Å; D583-A586 WeakPolarHBondContact OD1-CB 3.32Å; D583-A586 PolarHBondContact OD1-N 3.29Å; D583-L587 PolarHBondContact O-N 2.9Å; D583-Y666 HydrophobicContact CB-CE1 4.41Å; D583-I669 HydrophobicContact CB-CD1 3.87Å; D583-L691 PolarHBondContact N-O 3.48Å; D583-T692 WeakPolarHBondContact OD2-CB 3.34Å; D583-T692 PolarHBondContact OD2-OG1 3.04Å; D583-G693 PolarHBondContact OD1-N 3.47Å
584P87.7Confident82.6Confident2 Ų230.6 Ų30.61%0.01316%0.159CC..Hα-helixtrans-57.5-27.4179-25.834.3000113.7T588 T611 K614 L618 P665P584-T588 WeakPolarHBondContact O-CB 3.4Å; P584-T588 PolarHBondContact O-N 3.27Å; P584-T588 VanDerWaalsContact O-N 3.07Å; P584-T588 PolarHBondContact O-OG1 2.91Å; P584-T611 HydrophobicContact CG-CG2 4.05Å; P584-K614 HydrophobicContact CB-CB 4.08Å; P584-K614 HydrophobicContact CB-CG 3.89Å; P584-K614 HydrophobicContact CG-CB 3.71Å; P584-K614 HydrophobicContact CG-CG 3.78Å; P584-L618 HydrophobicContact CB-CD1 4.33Å; P584-P665 HydrophobicContact CG-CB 4.27Å
585Y88.5Confident82.5Confident57 Ų5729.8 Ų29.822%0.22415%0.147CC..Hα-helixtrans-81.3-35.3-176.8-58-73.5000111.7D583 L587 T588 E589D583-Y585 PolarHBondContact O-N 3.07Å; D583-Y585 VanDerWaalsContact O-N 3.1Å; D583-Y585 WeakPolarHBondContact OD1-CA 3.39Å; D583-Y585 WeakPolarHBondContact OD1-CB 3.34Å; D583-Y585 PolarHBondContact OD1-N 3.16Å; Y585-L587 VanDerWaalsContact C-N 3.33Å; Y585-L587 PolarHBondContact O-N 2.87Å; Y585-T588 PolarHBondContact O-N 2.85Å; Y585-T588 VanDerWaalsContact O-N 3.15Å; Y585-E589 WeakPolarHBondContact O-CB 3.24Å; Y585-E589 WeakPolarHBondContact O-CG 3.28Å; Y585-E589 PolarHBondContact O-N 3.33Å
586A87Confident81.7Confident0 Ų025.8 Ų25.80%013%0.125CC..Hα-helixtrans-57.7-47.3172.200000110.8P582 D583 Q590 I594 L691 V719P582-A586 HydrophobicContact CB-CB 3.94Å; D583-A586 WeakPolarHBondContact O-CB 3.15Å; D583-A586 PolarHBondContact O-N 2.94Å; D583-A586 WeakPolarHBondContact OD1-CB 3.32Å; D583-A586 PolarHBondContact OD1-N 3.29Å; A586-Q590 CarbonylContact O-C 3.55Å; A586-Q590 PolarHBondContact O-N 3.48Å; A586-I594 HydrophobicContact CB-CD1 4.2Å; A586-L691 HydrophobicContact CB-CB 4.38Å; A586-L691 WeakPolarHBondContact CB-O 3.37Å; A586-V719 HydrophobicContact CB-CG2 3.39Å
587L87.7Confident81.5Confident1 Ų124.1 Ų24.11%0.00512%0.116CC..Hα-helixtrans-65.3-40.7173.8-69.3172.7000111.8P582 D583 Y585 V591 I594 I607 T611 L615 A628 W631P582-L587 HydrophobicContact CB-CD2 4.41Å; P582-L587 HydrophobicContact CB-CG 4.11Å; P582-L587 HydrophobicContact CG-CD1 4.24Å; P582-L587 HydrophobicContact CG-CD2 4.17Å; P582-L587 HydrophobicContact CG-CG 4.08Å; D583-L587 PolarHBondContact O-N 2.9Å; Y585-L587 VanDerWaalsContact C-N 3.33Å; Y585-L587 PolarHBondContact O-N 2.87Å; L587-V591 VanDerWaalsContact O-CB 3.31Å; L587-V591 WeakPolarHBondContact O-CB 3.36Å; L587-I594 HydrophobicContact CD2-CD1 3.93Å; L587-I607 HydrophobicContact CD1-CD1 4.02Å; L587-T611 HydrophobicContact CD1-CG2 3.95Å; L587-L615 HydrophobicContact CB-CD1 4.33Å; L587-L615 HydrophobicContact CD1-CD2 4.12Å; L587-A628 HydrophobicContact CB-CB 4.24Å; L587-A628 WeakPolarHBondContact O-CB 3.36Å; L587-W631 HydrophobicContact CD2-CZ3 4.04Å
588T85.5Confident80.9Confident14 Ų1424.3 Ų24.39%0.08612%0.117CC..Hα-helixtrans-71.1-35-178.6-59.30000112.6P584 Y585 V622 N624 A625P584-T588 WeakPolarHBondContact O-CB 3.4Å; P584-T588 PolarHBondContact O-N 3.27Å; P584-T588 VanDerWaalsContact O-N 3.07Å; P584-T588 PolarHBondContact O-OG1 2.91Å; Y585-T588 PolarHBondContact O-N 2.85Å; Y585-T588 VanDerWaalsContact O-N 3.15Å; T588-V622 HydrophobicContact CG2-CG1 3.62Å; T588-N624 HydrophobicContact CG2-CB 4.26Å; T588-N624 WeakPolarHBondContact O-CB 3.41Å; T588-N624 PolarHBondContact O-ND2 3.2Å; T588-A625 HydrophobicContact CG2-CB 3.93Å
589E80.4Confident79.9Confident82 Ų8223.5 Ų23.538%0.38311%0.114SC..Hα-helixtrans-93.2-38.7-173.7-67.4-173.9-175.100112.8Y585Y585-E589 WeakPolarHBondContact O-CB 3.24Å; Y585-E589 WeakPolarHBondContact O-CG 3.28Å; Y585-E589 PolarHBondContact O-N 3.33Å
590Q76.7Confident78.5Confident22 Ų2221.3 Ų21.310%0.10310%0.104CC..Hα-helixtrans-137.135.7-166-61.1-173.85.900113.2A586 H592 L593 I594 V719 Y720A586-Q590 CarbonylContact O-C 3.55Å; A586-Q590 PolarHBondContact O-N 3.48Å; Q590-H592 PolarHBondContact O-N 3.43Å; Q590-L593 HydrophobicContact CB-CD1 4.22Å; Q590-L593 HydrophobicContact CB-CG 4.41Å; Q590-L593 HydrophobicContact CG-CD1 4.46Å; Q590-L593 PolarHBondContact O-N 2.85Å; Q590-I594 PolarHBondContact O-N 2.97Å; Q590-V719 HydrophobicContact CB-CB 4.17Å; Q590-V719 HydrophobicContact CB-CG1 3.73Å; Q590-V719 VanDerWaalsContact OE1-CB 3.26Å; Q590-Y720 VanDerWaalsContact OE1-CB 3.31Å
591V81.3Confident77.1Confident15 Ų1522.1 Ų22.19%0.09111%0.113CC..Hα-helixtrans-51.2-33.2176.672.90000113.1L587 L593 I594 K595 A628 W631L587-V591 VanDerWaalsContact O-CB 3.31Å; L587-V591 WeakPolarHBondContact O-CB 3.36Å; V591-L593 PolarHBondContact O-N 3.24Å; V591-I594 PolarHBondContact O-N 2.96Å; V591-K595 HydrophobicContact CG2-CD 4.39Å; V591-K595 HydrophobicContact CG2-CG 4.46Å; V591-K595 WeakPolarHBondContact O-CB 3.27Å; V591-K595 WeakPolarHBondContact O-CG 3.48Å; V591-K595 PolarHBondContact O-N 3.11Å; V591-A628 HydrophobicContact CB-CB 4.24Å; V591-A628 HydrophobicContact CG2-CB 4.06Å; V591-W631 HydrophobicContact CG2-CD2 4.08Å; V591-W631 HydrophobicContact CG2-CE3 3.44Å; V591-W631 VanDerWaalsContact CG2-CE3 3.44Å; V591-W631 HydrophobicContact CG2-CZ3 3.76Å
592H70.3Confident75.9Confident91 Ų9125.3 Ų25.342%0.42113%0.13SC..Hα-helixtrans-66.2-34.7-179.461.9-81.9000113Q590 K595 E596Q590-H592 PolarHBondContact O-N 3.43Å; H592-K595 WeakPolarHBondContact O-CB 3.44Å; H592-E596 PolarHBondContact O-N 2.92Å; H592-E596 VanDerWaalsContact O-N 3.1Å
593L75.1Confident74.9Confident13 Ų1325.4 Ų25.47%0.06813%0.13CC..Hα-helixtrans-74.5-39175.7-57.9-176.9000111.1Q590 V591 K595 E596 M597 V719 Y720 Y723Q590-L593 HydrophobicContact CB-CD1 4.22Å; Q590-L593 HydrophobicContact CB-CG 4.41Å; Q590-L593 HydrophobicContact CG-CD1 4.46Å; Q590-L593 PolarHBondContact O-N 2.85Å; V591-L593 PolarHBondContact O-N 3.24Å; L593-K595 VanDerWaalsContact C-N 3.31Å; L593-K595 PolarHBondContact O-N 3.34Å; L593-E596 PolarHBondContact O-N 2.93Å; L593-M597 WeakPolarHBondContact O-CG 3.31Å; L593-M597 PolarHBondContact O-N 3.24Å; L593-V719 HydrophobicContact CB-CG1 4.01Å; L593-V719 HydrophobicContact CD1-CG1 4.32Å; L593-Y720 HydrophobicContact CD1-CD2 3.94Å; L593-Y723 HydrophobicContact CB-CD2 3.81Å; L593-Y723 HydrophobicContact CB-CE2 4.4Å; L593-Y723 HydrophobicContact CB-CG 4.14Å; L593-Y723 HydrophobicContact CD1-CG 4.22Å; L593-Y723 HydrophobicContact CD2-CD1 4.08Å; L593-Y723 HydrophobicContact CD2-CD2 3.94Å; L593-Y723 HydrophobicContact CD2-CE1 4.12Å; L593-Y723 HydrophobicContact CD2-CE2 3.93Å; L593-Y723 HydrophobicContact CD2-CG 4Å; L593-Y723 HydrophobicContact CG-CD2 4.34Å; L593-Y723 HydrophobicContact CG-CG 4.34Å
594I77.1Confident74.4Confident0 Ų026.9 Ų26.90%014%0.139CC..Hα-helixtrans-62.8-41.2174.8-62.1172.4000110.5P582 A586 L587 Q590 V591 M597 L598 L605 W631 L691 V719P582-I594 HydrophobicContact CB-CD1 4.09Å; A586-I594 HydrophobicContact CB-CD1 4.2Å; L587-I594 HydrophobicContact CD2-CD1 3.93Å; Q590-I594 PolarHBondContact O-N 2.97Å; V591-I594 PolarHBondContact O-N 2.96Å; I594-M597 HydrophobicContact CB-CE 4.42Å; I594-M597 HydrophobicContact CG1-CE 4.08Å; I594-M597 PolarHBondContact O-N 3.5Å; I594-L598 HydrophobicContact CG2-CD1 4.39Å; I594-L598 PolarHBondContact O-N 3Å; I594-L605 HydrophobicContact CG2-CD1 3.63Å; I594-L605 HydrophobicContact CG2-CD2 3.96Å; I594-L605 HydrophobicContact CG2-CG 4.47Å; I594-W631 HydrophobicContact CG2-CH2 4.39Å; I594-L691 HydrophobicContact CG1-CD1 4.22Å; I594-V719 HydrophobicContact CD1-CG2 4.34Å; I594-V719 HydrophobicContact CG1-CG1 3.97Å
595K74.6Confident74.2Confident68 Ų6826.8 Ų26.830%0.29614%0.139SC..Hα-helixtrans-56.2-52.2171.5-75.9170.1179.4-161.90111V591 H592 L593 M597 L598 C599 W631V591-K595 HydrophobicContact CG2-CD 4.39Å; V591-K595 HydrophobicContact CG2-CG 4.46Å; V591-K595 WeakPolarHBondContact O-CB 3.27Å; V591-K595 WeakPolarHBondContact O-CG 3.48Å; V591-K595 PolarHBondContact O-N 3.11Å; H592-K595 WeakPolarHBondContact O-CB 3.44Å; L593-K595 VanDerWaalsContact C-N 3.31Å; L593-K595 PolarHBondContact O-N 3.34Å; K595-M597 VanDerWaalsContact C-N 3.32Å; K595-M597 PolarHBondContact O-N 3.1Å; K595-L598 PolarHBondContact O-N 3.5Å; K595-C599 WeakPolarHBondContact O-CB 3.46Å; K595-C599 PolarHBondContact O-N 2.64Å; K595-C599 PolarHBondContact O-SG 3Å; K595-W631 HydrophobicContact CD-CD2 4.36Å; K595-W631 HydrophobicContact CD-CG 4.45Å; K595-W631 VanDerWaalsContact CE-CE2 3.43Å; K595-W631 HydrophobicContact CG-CD2 4.14Å; K595-W631 HydrophobicContact CG-CH2 4.22Å; K595-W631 HydrophobicContact CG-CZ2 3.62Å
596E60.8Low74.2Confident23 Ų2324.7 Ų24.711%0.10713%0.131CC..Hα-helixtrans-58.1-41178.2-99.1176.7158.300113.1Y259 H592 L593 C599 S600 Y723Y259-E596 WeakPolarHBondContact CE2-OE1 3.48Å; Y259-E596 WeakPolarHBondContact OH-CG 3.49Å; Y259-E596 PolarHBondContact OH-OE1 3.3Å; H592-E596 PolarHBondContact O-N 2.92Å; H592-E596 VanDerWaalsContact O-N 3.1Å; L593-E596 PolarHBondContact O-N 2.93Å; E596-C599 CarbonylContact O-C 3.57Å; E596-C599 WeakPolarHBondContact O-CB 3.48Å; E596-C599 PolarHBondContact O-N 3.4Å; E596-S600 PolarHBondContact O-N 3.04Å; E596-S600 VanDerWaalsContact O-N 3.09Å; E596-Y723 HydrophobicContact CB-CE2 3.8Å; E596-Y723 HydrophobicContact CG-CE2 4.49Å; E596-Y723 PolarHBondContact OE1-OH 2.8Å; E596-Y723 WeakPolarHBondContact OE2-CE2 3.45Å; E596-Y723 PolarHBondContact OE2-OH 2.56Å
597M71Confident74.2Confident0 Ų024.7 Ų24.70%013%0.131CC..Hα-helixtrans-66.1-47.2177.5-68.5-177.2-63.300111.8L580 L593 I594 K595 C599 S600 G601 H603 L691 V719 F722 Y723 W726L580-M597 HydrophobicContact CD1-CB 4.04Å; L580-M597 HydrophobicContact CD1-CE 4.19Å; L580-M597 HydrophobicContact CD1-SD 4.39Å; L593-M597 WeakPolarHBondContact O-CG 3.31Å; L593-M597 PolarHBondContact O-N 3.24Å; I594-M597 HydrophobicContact CB-CE 4.42Å; I594-M597 HydrophobicContact CG1-CE 4.08Å; I594-M597 PolarHBondContact O-N 3.5Å; K595-M597 VanDerWaalsContact C-N 3.32Å; K595-M597 PolarHBondContact O-N 3.1Å; M597-C599 PolarHBondContact O-N 2.93Å; M597-S600 WeakPolarHBondContact O-CB 3.48Å; M597-S600 PolarHBondContact O-N 3.21Å; M597-S600 PolarHBondContact O-OG 2.97Å; M597-G601 PolarHBondContact O-N 2.88Å; M597-H603 PolarHBondContact O-CD2 3.24Å; M597-L691 HydrophobicContact CE-CD1 3.83Å; M597-V719 HydrophobicContact CE-CG1 4.39Å; M597-F722 HydrophobicContact CE-CD1 4.25Å; M597-F722 HydrophobicContact SD-CD1 3.37Å; M597-F722 WeakPolarHBondContact SD-CD1 3.39Å; M597-F722 HydrophobicContact SD-CE1 3.52Å; M597-F722 VanDerWaalsContact SD-CE1 3.52Å; M597-Y723 HydrophobicContact CG-CD2 3.96Å; M597-Y723 HydrophobicContact SD-CD2 4.35Å; M597-W726 HydrophobicContact CG-CD2 4.05Å; M597-W726 HydrophobicContact CG-CE3 3.71Å; M597-W726 HydrophobicContact CG-CZ3 3.97Å
598L67.6Low74.2Confident9 Ų924.7 Ų24.75%0.04713%0.131CC..Hα-helixtrans-61.1-36.9174.1-80.9176.2000112.3F265 I594 K595 S600 G601 L605 W631 I643F265-L598 WeakPolarHBondContact CE2-O 3.2Å; I594-L598 HydrophobicContact CG2-CD1 4.39Å; I594-L598 PolarHBondContact O-N 3Å; K595-L598 PolarHBondContact O-N 3.5Å; L598-S600 PolarHBondContact O-N 3.2Å; L598-G601 WeakPolarHBondContact O-CA 3.38Å; L598-G601 PolarHBondContact O-N 3.35Å; L598-L605 HydrophobicContact CD1-CB 3.81Å; L598-L605 HydrophobicContact CD1-CD2 3.76Å; L598-L605 HydrophobicContact CD1-CG 4.29Å; L598-L605 HydrophobicContact CD2-CB 3.57Å; L598-L605 HydrophobicContact CG-CB 4.06Å; L598-W631 HydrophobicContact CD1-CH2 3.75Å; L598-W631 HydrophobicContact CD1-CZ2 3.88Å; L598-I643 HydrophobicContact CD1-CD1 4.1Å; L598-I643 HydrophobicContact CD1-CG1 4.08Å
599C58.8Low74Confident48 Ų4827.3 Ų27.332%0.32414%0.143SC..THydrogen-bonded Turntrans-71.1-3.9174.4-77.70000113.7F265 M268 K595 E596 M597F265-C599 VanDerWaalsContact CD2-C 3.48Å; F265-C599 WeakPolarHBondContact CD2-O 3.35Å; M268-C599 HydrophobicContact CE-CB 3.4Å; M268-C599 VanDerWaalsContact CE-CB 3.4Å; M268-C599 WeakPolarHBondContact CE-O 3.23Å; M268-C599 HydrophobicContact SD-CB 3.71Å; K595-C599 WeakPolarHBondContact O-CB 3.46Å; K595-C599 PolarHBondContact O-N 2.64Å; K595-C599 PolarHBondContact O-SG 3Å; E596-C599 CarbonylContact O-C 3.57Å; E596-C599 WeakPolarHBondContact O-CB 3.48Å; E596-C599 PolarHBondContact O-N 3.4Å; M597-C599 PolarHBondContact O-N 2.93Å
600S57.5Low74.2Confident3 Ų323.7 Ų23.72%0.02113%0.127CC..THydrogen-bonded Turntrans-91.6-20.916282.80000113.4C263 E596 M597 L598 N602 W726C263-S600 WeakPolarHBondContact O-CA 3.39Å; E596-S600 PolarHBondContact O-N 3.04Å; E596-S600 VanDerWaalsContact O-N 3.09Å; M597-S600 WeakPolarHBondContact O-CB 3.48Å; M597-S600 PolarHBondContact O-N 3.21Å; M597-S600 PolarHBondContact O-OG 2.97Å; L598-S600 PolarHBondContact O-N 3.2Å; S600-N602 WeakPolarHBondContact CB-ND2 3.45Å; S600-N602 PolarHBondContact O-N 3.16Å; S600-N602 PolarHBondContact O-ND2 3.23Å; S600-N602 PolarHBondContact OG-ND2 2.88Å; S600-N602 VanDerWaalsContact OG-ND2 3.09Å; S600-W726 VanDerWaalsContact OG-CZ2 3.26Å; S600-W726 WeakPolarHBondContact OG-CZ2 3.26Å
601G60.5Low74.7Confident17 Ų1722.7 Ų22.718%0.17512%0.122CC..  trans2842.2-171.800000117.1F265 M597 L598 H603F265-G601 VanDerWaalsContact CZ-N 3.27Å; M597-G601 PolarHBondContact O-N 2.88Å; L598-G601 WeakPolarHBondContact O-CA 3.38Å; L598-G601 PolarHBondContact O-N 3.35Å; G601-H603 PolarHBondContact O-N 3.3Å
602N63.6Low74.9Confident67 Ų6724.8 Ų24.836%0.35813%0.132SC..SBendtrans-70.81.5142.2-52.1-66.8000111.8S600S600-N602 WeakPolarHBondContact CB-ND2 3.45Å; S600-N602 PolarHBondContact O-N 3.16Å; S600-N602 PolarHBondContact O-ND2 3.23Å; S600-N602 PolarHBondContact OG-ND2 2.88Å; S600-N602 VanDerWaalsContact OG-ND2 3.09Å
603H71.5Confident75.6Confident1 Ų125.9 Ų25.91%0.00514%0.137CC..  trans-135.6142.5-168.1-61.8-64.7000112.6I576 P577 V578 L580 M597 G601 Y642 F722 W726I576-H603 WeakPolarHBondContact CG2-CE1 3.18Å; P577-H603 PolarHBondContact O-CE1 3.21Å; P577-H603 PolarHBondContact O-ND1 3.31Å; V578-H603 CarbonylContact O-C 3.58Å; V578-H603 WeakPolarHBondContact O-CA 3.28Å; L580-H603 HydrophobicContact CD1-CB 3.61Å; L580-H603 HydrophobicContact CG-CB 3.91Å; M597-H603 PolarHBondContact O-CD2 3.24Å; G601-H603 PolarHBondContact O-N 3.3Å; H603-Y642 WeakPolarHBondContact O-CD1 3.47Å; H603-F722 AromaticContact CE1-CZ 4Å; H603-W726 AromaticContact NE2-CD1 3.3Å; H603-W726 VanDerWaalsContact NE2-CD1 3.3Å; H603-W726 AromaticContact NE2-CE2 3.93Å; H603-W726 AromaticContact NE2-CG 3.97Å; H603-W726 AromaticContact NE2-NE1 3.24Å; H603-W726 PolarHBondContact NE2-NE1 3.04Å
604V78.3Confident76.1Confident32 Ų3226.8 Ų26.819%0.19414%0.14CC..EExtended strand (participates in β ladder)trans-116.4123.2169.8178.50000108.3V578 H579 L580 Y642 C644V578-V604 PolarHBondContact O-N 2.94Å; H579-V604 CarbonylContact C-O 3.57Å; H579-V604 WeakPolarHBondContact CA-O 3.45Å; L580-V604 PolarHBondContact N-O 3.19Å; V604-Y642 CarbonylContact C-O 3.51Å; V604-Y642 WeakPolarHBondContact CA-O 3.22Å; V604-C644 VanDerWaalsContact CG1-SG 3.54Å
605L84.2Confident76.6Confident0 Ų026.9 Ų26.90%014%0.141CC..EExtended strand (participates in β ladder)trans-87118.8178.2-164.673.6000110.8L580 P582 I594 L598 I607 W631 Y642 I643 C644L580-L605 HydrophobicContact CB-CD1 3.85Å; L580-L605 CarbonylContact O-C 3.57Å; L580-L605 WeakPolarHBondContact O-CA 3.07Å; P582-L605 HydrophobicContact CG-CD1 3.73Å; P582-L605 HydrophobicContact CG-CD2 4.46Å; P582-L605 HydrophobicContact CG-CG 4.18Å; I594-L605 HydrophobicContact CG2-CD1 3.63Å; I594-L605 HydrophobicContact CG2-CD2 3.96Å; I594-L605 HydrophobicContact CG2-CG 4.47Å; L598-L605 HydrophobicContact CD1-CB 3.81Å; L598-L605 HydrophobicContact CD1-CD2 3.76Å; L598-L605 HydrophobicContact CD1-CG 4.29Å; L598-L605 HydrophobicContact CD2-CB 3.57Å; L598-L605 HydrophobicContact CG-CB 4.06Å; L605-I607 HydrophobicContact CD2-CD1 3.67Å; L605-I607 HydrophobicContact CD2-CG1 4.16Å; L605-I607 HydrophobicContact CG-CD1 3.78Å; L605-I607 HydrophobicContact CG-CG1 4.3Å; L605-W631 HydrophobicContact CD2-CH2 3.94Å; L605-W631 HydrophobicContact CD2-CZ3 4.31Å; L605-Y642 PolarHBondContact N-O 3.14Å; L605-I643 HydrophobicContact CB-CG1 4.32Å; L605-I643 CarbonylContact O-C 3.51Å; L605-I643 WeakPolarHBondContact O-CA 3.47Å; L605-C644 PolarHBondContact O-N 3.34Å
606I87.8Confident77Confident12 Ų1225.5 Ų25.56%0.06214%0.142CC..EExtended strand (participates in β ladder)trans-103.7113.7176.1-59.5169.3000108.7H579 L580 V581 P582 C644 H646 A672 L676H579-I606 HydrophobicContact CB-CD1 3.92Å; L580-I606 PolarHBondContact O-N 3.16Å; V581-I606 HydrophobicContact CG2-CB 4.17Å; V581-I606 HydrophobicContact CG2-CD1 4.47Å; P582-I606 WeakPolarHBondContact CD-O 3.15Å; I606-C644 CarbonylContact C-O 3.45Å; I606-C644 WeakPolarHBondContact CA-O 2.94Å; I606-C644 HydrophobicContact CG1-CB 4.35Å; I606-H646 HydrophobicContact CG2-CB 3.95Å; I606-A672 HydrophobicContact CG2-CB 4.17Å; I606-L676 HydrophobicContact CD1-CD1 3.27Å; I606-L676 HydrophobicContact CD1-CD2 3.6Å; I606-L676 HydrophobicContact CD1-CG 3.93Å
607I87.3Confident78.2Confident0 Ų029.8 Ų29.80%016%0.162CC..EExtended strand (participates in β ladder)trans-102.8124.5177.8-57.3-55000109.8P582 L587 L605 T611 M612 L632 I643 C644 V645 H646P582-I607 HydrophobicContact CG-CD1 3.31Å; L587-I607 HydrophobicContact CD1-CD1 4.02Å; L605-I607 HydrophobicContact CD2-CD1 3.67Å; L605-I607 HydrophobicContact CD2-CG1 4.16Å; L605-I607 HydrophobicContact CG-CD1 3.78Å; L605-I607 HydrophobicContact CG-CG1 4.3Å; I607-T611 HydrophobicContact CG2-CG2 4.14Å; I607-M612 HydrophobicContact CG2-CG 3.57Å; I607-M612 HydrophobicContact CG2-SD 4.37Å; I607-L632 HydrophobicContact CG1-CD1 3.88Å; I607-L632 HydrophobicContact CG1-CD2 4.13Å; I607-L632 HydrophobicContact CG2-CD2 3.99Å; I607-I643 HydrophobicContact CG1-CG2 4.3Å; I607-C644 PolarHBondContact N-O 2.91Å; I607-V645 CarbonylContact O-C 3.51Å; I607-V645 VanDerWaalsContact O-CA 3.32Å; I607-V645 WeakPolarHBondContact O-CA 3.4Å; I607-H646 PolarHBondContact O-N 3.48Å
608T87.9Confident78.9Confident1 Ų131.5 Ų31.51%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-79.7149.5173.865.10000111.7S610 T611 M612 D668 I669 A672T608-S610 VanDerWaalsContact C-N 3.27Å; T608-S610 PolarHBondContact O-N 2.94Å; T608-T611 WeakPolarHBondContact O-CA 3.22Å; T608-T611 WeakPolarHBondContact O-CB 2.98Å; T608-T611 PolarHBondContact O-N 2.63Å; T608-T611 VanDerWaalsContact OG1-CB 3.31Å; T608-T611 WeakPolarHBondContact OG1-CB 3.11Å; T608-T611 PolarHBondContact OG1-N 2.92Å; T608-T611 PolarHBondContact OG1-OG1 3Å; T608-M612 PolarHBondContact O-N 3.2Å; T608-D668 HydrophobicContact CG2-CB 4.26Å; T608-D668 WeakPolarHBondContact CG2-O 3.47Å; T608-I669 HydrophobicContact CG2-CB 4.49Å; T608-I669 HydrophobicContact CG2-CG1 3.94Å; T608-A672 HydrophobicContact CG2-CB 3.87Å
609M82.1Confident79.8Confident70 Ų7035.8 Ų35.835%0.34519%0.187SC..Hα-helixtrans-55.4-40.8176.4-76.9-58.9-62.100112.8T611 M612 E613 V645 H646M609-T611 VanDerWaalsContact C-N 3.33Å; M609-T611 PolarHBondContact O-N 3.47Å; M609-M612 WeakPolarHBondContact O-CB 3.33Å; M609-M612 PolarHBondContact O-N 2.99Å; M609-M612 HydrophobicContact SD-SD 4.3Å; M609-E613 WeakPolarHBondContact O-CG 3.43Å; M609-E613 PolarHBondContact O-N 3.22Å; M609-V645 HydrophobicContact CG-CG1 4.3Å; M609-V645 HydrophobicContact SD-CG1 3.58Å; M609-V645 VanDerWaalsContact SD-CG1 3.58Å; M609-H646 WeakPolarHBondContact CG-O 3.33Å; M609-H646 PolarHBondContact N-O 3.37Å
610S83.3Confident80.9Confident6 Ų641.7 Ų41.74%0.04221%0.207CC..Hα-helixtrans-70.2-27.1176.145.80000113.3T608 K614 D668T608-S610 VanDerWaalsContact C-N 3.27Å; T608-S610 PolarHBondContact O-N 2.94Å; S610-K614 WeakPolarHBondContact O-CB 3.49Å; S610-K614 PolarHBondContact O-N 2.96Å; S610-D668 WeakPolarHBondContact CB-OD2 3.38Å; S610-D668 WeakPolarHBondContact OG-CB 3.25Å; S610-D668 PolarHBondContact OG-OD2 3.33Å
611T87.8Confident82.1Confident0 Ų048.7 Ų48.70%024%0.244CC..Hα-helixtrans-65.7-43.8167.9-72.20000111.2P584 L587 I607 T608 M609 K614 L615P584-T611 HydrophobicContact CG-CG2 4.05Å; L587-T611 HydrophobicContact CD1-CG2 3.95Å; I607-T611 HydrophobicContact CG2-CG2 4.14Å; T608-T611 WeakPolarHBondContact O-CA 3.22Å; T608-T611 WeakPolarHBondContact O-CB 2.98Å; T608-T611 PolarHBondContact O-N 2.63Å; T608-T611 VanDerWaalsContact OG1-CB 3.31Å; T608-T611 WeakPolarHBondContact OG1-CB 3.11Å; T608-T611 PolarHBondContact OG1-N 2.92Å; T608-T611 PolarHBondContact OG1-OG1 3Å; M609-T611 VanDerWaalsContact C-N 3.33Å; M609-T611 PolarHBondContact O-N 3.47Å; T611-K614 PolarHBondContact O-N 3.16Å; T611-L615 WeakPolarHBondContact O-CB 3.5Å; T611-L615 PolarHBondContact O-N 3.01Å
612M84.9Confident83Confident59 Ų5950.6 Ų50.629%0.29125%0.252SS..Hα-helixtrans-61.1-46.5173.6-76.2-178.949.600112.3I607 T608 M609 K614 L615 A616 L632 L636 V645I607-M612 HydrophobicContact CG2-CG 3.57Å; I607-M612 HydrophobicContact CG2-SD 4.37Å; T608-M612 PolarHBondContact O-N 3.2Å; M609-M612 WeakPolarHBondContact O-CB 3.33Å; M609-M612 PolarHBondContact O-N 2.99Å; M609-M612 HydrophobicContact SD-SD 4.3Å; M612-K614 VanDerWaalsContact C-N 3.32Å; M612-K614 PolarHBondContact O-N 2.98Å; M612-L615 PolarHBondContact O-N 2.89Å; M612-A616 WeakPolarHBondContact O-CB 3.49Å; M612-A616 PolarHBondContact O-N 3.15Å; M612-L632 HydrophobicContact CG-CD2 4.05Å; M612-L636 HydrophobicContact SD-CD1 4.44Å; M612-V645 HydrophobicContact SD-CG1 3.85Å; M612-V645 HydrophobicContact SD-CG2 4.19Å
613E85.5Confident83.6Confident115 Ų11551.6 Ų51.654%0.53725%0.254SS..Hα-helixtrans-60.4-42.9178.2-73.4178.5177.500111.5M609 A616 Q617M609-E613 WeakPolarHBondContact O-CG 3.43Å; M609-E613 PolarHBondContact O-N 3.22Å; E613-A616 PolarHBondContact O-N 3.3Å; E613-Q617 WeakPolarHBondContact O-CG 3.37Å; E613-Q617 PolarHBondContact O-N 2.94Å
614K86.6Confident83.7Confident31 Ų3155.1 Ų55.114%0.13527%0.274CS..Hα-helixtrans-66.9-41.6177.3-167.363.7166.1-165.60111.4P584 S610 T611 M612 A616 Q617 L618 N662 P665P584-K614 HydrophobicContact CB-CB 4.08Å; P584-K614 HydrophobicContact CB-CG 3.89Å; P584-K614 HydrophobicContact CG-CB 3.71Å; P584-K614 HydrophobicContact CG-CG 3.78Å; S610-K614 WeakPolarHBondContact O-CB 3.49Å; S610-K614 PolarHBondContact O-N 2.96Å; T611-K614 PolarHBondContact O-N 3.16Å; M612-K614 VanDerWaalsContact C-N 3.32Å; M612-K614 PolarHBondContact O-N 2.98Å; K614-A616 VanDerWaalsContact C-N 3.33Å; K614-A616 PolarHBondContact O-N 3.46Å; K614-Q617 WeakPolarHBondContact O-CB 3.37Å; K614-Q617 PolarHBondContact O-N 3.47Å; K614-Q617 VanDerWaalsContact O-N 3.16Å; K614-L618 HydrophobicContact CG-CD1 4.45Å; K614-L618 WeakPolarHBondContact O-CG 3.31Å; K614-L618 PolarHBondContact O-N 3.35Å; K614-N662 PolarHBondContact NZ-OD1 2.82Å; K614-P665 HydrophobicContact CB-CG 4.48Å
615L86.6Confident84Confident3 Ų353.6 Ų53.62%0.01626%0.264CS..Hα-helixtrans-63.1-39.9176-166.367.9000111.4L587 T611 M612 Q617 L618 R619 A625 A628 A629L587-L615 HydrophobicContact CB-CD1 4.33Å; L587-L615 HydrophobicContact CD1-CD2 4.12Å; T611-L615 WeakPolarHBondContact O-CB 3.5Å; T611-L615 PolarHBondContact O-N 3.01Å; M612-L615 PolarHBondContact O-N 2.89Å; L615-Q617 VanDerWaalsContact C-N 3.29Å; L615-Q617 PolarHBondContact O-N 3.28Å; L615-L618 PolarHBondContact O-N 2.99Å; L615-L618 VanDerWaalsContact O-N 3.15Å; L615-R619 PolarHBondContact O-N 2.93Å; L615-A625 HydrophobicContact CD1-CB 4.11Å; L615-A628 HydrophobicContact CD1-CB 4.23Å; L615-A628 HydrophobicContact CD2-CB 4.33Å; L615-A629 HydrophobicContact CD2-CB 4.1Å; L615-A629 HydrophobicContact CG-CB 4.14Å
616A83.7Confident84Confident38 Ų3859.1 Ų59.131%0.31429%0.285SS..Hα-helixtrans-67.1-25.3174.600000113.6M612 E613 K614 R619M612-A616 WeakPolarHBondContact O-CB 3.49Å; M612-A616 PolarHBondContact O-N 3.15Å; E613-A616 PolarHBondContact O-N 3.3Å; K614-A616 VanDerWaalsContact C-N 3.33Å; K614-A616 PolarHBondContact O-N 3.46Å; A616-R619 WeakPolarHBondContact O-CG 3.44Å
617Q86.3Confident83.5Confident113 Ų11363.3 Ų63.353%0.52830%0.304SS..Hα-helixtrans-74.7-43.2168.6-68.9169.117.800111.1E613 K614 L615E613-Q617 WeakPolarHBondContact O-CG 3.37Å; E613-Q617 PolarHBondContact O-N 2.94Å; K614-Q617 WeakPolarHBondContact O-CB 3.37Å; K614-Q617 PolarHBondContact O-N 3.47Å; K614-Q617 VanDerWaalsContact O-N 3.16Å; L615-Q617 VanDerWaalsContact C-N 3.29Å; L615-Q617 PolarHBondContact O-N 3.28Å
618L85.1Confident83.2Confident37 Ų3763.3 Ų63.319%0.19430%0.304CS..Hα-helixtrans-68.7-33.4-178.1-69.2173.2000113.2P584 K614 L615 K620 N621 V622 A625P584-L618 HydrophobicContact CB-CD1 4.33Å; K614-L618 HydrophobicContact CG-CD1 4.45Å; K614-L618 WeakPolarHBondContact O-CG 3.31Å; K614-L618 PolarHBondContact O-N 3.35Å; L615-L618 PolarHBondContact O-N 2.99Å; L615-L618 VanDerWaalsContact O-N 3.15Å; L618-K620 PolarHBondContact O-N 3.42Å; L618-N621 PolarHBondContact O-N 3.15Å; L618-V622 PolarHBondContact O-N 2.9Å; L618-A625 HydrophobicContact CB-CB 3.55Å
619R85.6Confident83Confident99 Ų9963.5 Ų63.537%0.37431%0.306SS..THydrogen-bonded Turntrans-57.4-18.1-179.180.1-178.1179176.4-2.3114.6L615 A616 R626 A629 E633L615-R619 PolarHBondContact O-N 2.93Å; A616-R619 WeakPolarHBondContact O-CG 3.44Å; R619-R626 HydrophobicContact CB-CB 4.26Å; R619-A629 HydrophobicContact CB-CB 4.28Å; R619-E633 IonicContact CZ-OE1 3.76Å; R619-E633 IonicContact NH1-OE1 2.61Å; R619-E633 PolarHBondContact NH1-OE1 3.25Å; R619-E633 IonicContact NH1-OE2 3.18Å
620K82.3Confident83.1Confident172 Ų17264.1 Ų64.175%0.74831%0.311SS*.THydrogen-bonded Turntrans-71.8-29.9176-65.5-176.3-179.1178.90113L618L618-K620 PolarHBondContact O-N 3.42Å
621N82.5Confident83.1Confident149 Ų14965 Ų6580%0.79731%0.313SS*.THydrogen-bonded Turntrans-125.7-18.7-167.9-61.1-27000113.8L618L618-N621 PolarHBondContact O-N 3.15Å
622V79.9Confident82.8Confident57 Ų5765.2 Ų65.235%0.34532%0.315SS..  trans-120.8118.5-175.1-175.20000110T588 L618 N624 A625 R626T588-V622 HydrophobicContact CG2-CG1 3.62Å; L618-V622 PolarHBondContact O-N 2.9Å; V622-N624 VanDerWaalsContact C-N 3.35Å; V622-N624 PolarHBondContact O-N 3.33Å; V622-A625 HydrophobicContact CB-CB 3.85Å; V622-A625 HydrophobicContact CG1-CB 4.2Å; V622-A625 WeakPolarHBondContact O-CB 3.37Å; V622-A625 PolarHBondContact O-N 3.42Å; V622-A625 VanDerWaalsContact O-N 3.08Å; V622-R626 PolarHBondContact O-N 3.39Å
623E76.3Confident82.7Confident88 Ų8866.7 Ų66.741%0.41132%0.321SS..Hα-helixtrans-57.8-45.9-176.8-178.355.6-153.700112.4A625 R626 Q627E623-A625 VanDerWaalsContact C-N 3.27Å; E623-A625 PolarHBondContact O-N 3.43Å; E623-R626 WeakPolarHBondContact O-CA 3.31Å; E623-R626 VanDerWaalsContact O-CB 3.32Å; E623-R626 WeakPolarHBondContact O-CB 3.39Å; E623-R626 PolarHBondContact O-N 2.89Å; E623-R626 VanDerWaalsContact O-N 3.09Å; E623-R626 IonicContact OE1-CZ 3.66Å; E623-R626 IonicContact OE1-NE 2.76Å; E623-R626 PolarHBondContact OE1-NE 3.11Å; E623-R626 IonicContact OE1-NH2 2.61Å; E623-R626 PolarHBondContact OE1-NH2 2.78Å; E623-R626 IonicContact OE2-CZ 3.24Å; E623-R626 IonicContact OE2-NE 3.08Å; E623-R626 PolarHBondContact OE2-NE 3.4Å; E623-R626 IonicContact OE2-NH2 2.76Å; E623-R626 PolarHBondContact OE2-NH2 3.35Å; E623-Q627 PolarHBondContact O-N 3.42Å; E623-Q627 PolarHBondContact OE1-NE2 3.31Å
624N74.1Confident82.4Confident76 Ų7666 Ų6641%0.40631%0.314SS..Hα-helixtrans-67.2-30.7179.5-59.2-3.2000112T588 V622 R626 Q627 A628T588-N624 HydrophobicContact CG2-CB 4.26Å; T588-N624 WeakPolarHBondContact O-CB 3.41Å; T588-N624 PolarHBondContact O-ND2 3.2Å; V622-N624 VanDerWaalsContact C-N 3.35Å; V622-N624 PolarHBondContact O-N 3.33Å; N624-R626 VanDerWaalsContact C-N 3.31Å; N624-Q627 PolarHBondContact O-N 3.32Å; N624-A628 VanDerWaalsContact O-CB 3.31Å; N624-A628 WeakPolarHBondContact O-CB 3.42Å; N624-A628 PolarHBondContact O-N 3.16Å
625A83.5Confident81.8Confident0 Ų066.5 Ų66.50%032%0.317CS..Hα-helixtrans-68.6-33.917400000111.3T588 L615 L618 V622 E623 A629T588-A625 HydrophobicContact CG2-CB 3.93Å; L615-A625 HydrophobicContact CD1-CB 4.11Å; L618-A625 HydrophobicContact CB-CB 3.55Å; V622-A625 HydrophobicContact CB-CB 3.85Å; V622-A625 HydrophobicContact CG1-CB 4.2Å; V622-A625 WeakPolarHBondContact O-CB 3.37Å; V622-A625 PolarHBondContact O-N 3.42Å; V622-A625 VanDerWaalsContact O-N 3.08Å; E623-A625 VanDerWaalsContact C-N 3.27Å; E623-A625 PolarHBondContact O-N 3.43Å; A625-A629 WeakPolarHBondContact O-CB 3.31Å; A625-A629 PolarHBondContact O-N 2.86Å
626R84.1Confident81.2Confident116 Ų11669 Ų6944%0.43833%0.33SS..Hα-helixtrans-65.2-44.9171.7-176.1172.367.1121.8-5.3111.5R619 V622 E623 N624 A629 N630R619-R626 HydrophobicContact CB-CB 4.26Å; V622-R626 PolarHBondContact O-N 3.39Å; E623-R626 WeakPolarHBondContact O-CA 3.31Å; E623-R626 VanDerWaalsContact O-CB 3.32Å; E623-R626 WeakPolarHBondContact O-CB 3.39Å; E623-R626 PolarHBondContact O-N 2.89Å; E623-R626 VanDerWaalsContact O-N 3.09Å; E623-R626 IonicContact OE1-CZ 3.66Å; E623-R626 IonicContact OE1-NE 2.76Å; E623-R626 PolarHBondContact OE1-NE 3.11Å; E623-R626 IonicContact OE1-NH2 2.61Å; E623-R626 PolarHBondContact OE1-NH2 2.78Å; E623-R626 IonicContact OE2-CZ 3.24Å; E623-R626 IonicContact OE2-NE 3.08Å; E623-R626 PolarHBondContact OE2-NE 3.4Å; E623-R626 IonicContact OE2-NH2 2.76Å; E623-R626 PolarHBondContact OE2-NH2 3.35Å; N624-R626 VanDerWaalsContact C-N 3.31Å; R626-A629 PolarHBondContact O-N 2.96Å; R626-N630 WeakPolarHBondContact O-CB 3.37Å; R626-N630 PolarHBondContact O-N 3.31Å; R626-N630 PolarHBondContact O-OD1 3.34Å
627Q79.2Confident80.6Confident99 Ų9973.4 Ų73.446%0.46335%0.348SS..Hα-helixtrans-63.7-42175.7-67.1178.317.600112.4E623 N624 W631E623-Q627 PolarHBondContact O-N 3.42Å; E623-Q627 PolarHBondContact OE1-NE2 3.31Å; N624-Q627 PolarHBondContact O-N 3.32Å; Q627-W631 VanDerWaalsContact O-CB 3.31Å; Q627-W631 WeakPolarHBondContact O-CB 3.24Å; Q627-W631 PolarHBondContact O-N 3.46Å
628A79.7Confident79.7Confident0 Ų072.9 Ų72.90%035%0.346CS..Hα-helixtrans-67.8-41.9177.700000112.3L587 V591 L615 N624 W631 L632L587-A628 HydrophobicContact CB-CB 4.24Å; L587-A628 WeakPolarHBondContact O-CB 3.36Å; V591-A628 HydrophobicContact CB-CB 4.24Å; V591-A628 HydrophobicContact CG2-CB 4.06Å; L615-A628 HydrophobicContact CD1-CB 4.23Å; L615-A628 HydrophobicContact CD2-CB 4.33Å; N624-A628 VanDerWaalsContact O-CB 3.31Å; N624-A628 WeakPolarHBondContact O-CB 3.42Å; N624-A628 PolarHBondContact O-N 3.16Å; A628-W631 PolarHBondContact O-N 3.46Å; A628-L632 WeakPolarHBondContact O-CB 3.5Å; A628-L632 PolarHBondContact O-N 3.29Å
629A84.1Confident78.5Confident6 Ų678.7 Ų78.75%0.0537%0.372CS..Hα-helixtrans-63.3-48.7175.900000111.6L615 R619 A625 R626 W631 L632 E633L615-A629 HydrophobicContact CD2-CB 4.1Å; L615-A629 HydrophobicContact CG-CB 4.14Å; R619-A629 HydrophobicContact CB-CB 4.28Å; A625-A629 WeakPolarHBondContact O-CB 3.31Å; A625-A629 PolarHBondContact O-N 2.86Å; R626-A629 PolarHBondContact O-N 2.96Å; A629-W631 VanDerWaalsContact C-N 3.29Å; A629-W631 PolarHBondContact O-N 3.46Å; A629-L632 PolarHBondContact O-N 3.07Å; A629-E633 WeakPolarHBondContact O-CB 3.37Å; A629-E633 WeakPolarHBondContact O-CG 3.28Å; A629-E633 PolarHBondContact O-N 3.33Å
630N83.6Confident77.4Confident83 Ų8376 Ų7644%0.44436%0.364SS..Hα-helixtrans-62.4-37.9179-69.82.2000111.9R626 Y634R626-N630 WeakPolarHBondContact O-CB 3.37Å; R626-N630 PolarHBondContact O-N 3.31Å; R626-N630 PolarHBondContact O-OD1 3.34Å; N630-Y634 VanDerWaalsContact O-CB 3.26Å; N630-Y634 WeakPolarHBondContact O-CB 3.49Å; N630-Y634 PolarHBondContact O-N 3.15Å
631W83.4Confident76.6Confident23 Ų2374.4 Ų74.49%0.08736%0.364CS..Hα-helixtrans-64.4-48.7174.1167.763.3000111.4L587 V591 I594 K595 L598 L605 Q627 A628 A629 E633 Y634 E635 I643L587-W631 HydrophobicContact CD2-CZ3 4.04Å; V591-W631 HydrophobicContact CG2-CD2 4.08Å; V591-W631 HydrophobicContact CG2-CE3 3.44Å; V591-W631 VanDerWaalsContact CG2-CE3 3.44Å; V591-W631 HydrophobicContact CG2-CZ3 3.76Å; I594-W631 HydrophobicContact CG2-CH2 4.39Å; K595-W631 HydrophobicContact CD-CD2 4.36Å; K595-W631 HydrophobicContact CD-CG 4.45Å; K595-W631 VanDerWaalsContact CE-CE2 3.43Å; K595-W631 HydrophobicContact CG-CD2 4.14Å; K595-W631 HydrophobicContact CG-CH2 4.22Å; K595-W631 HydrophobicContact CG-CZ2 3.62Å; L598-W631 HydrophobicContact CD1-CH2 3.75Å; L598-W631 HydrophobicContact CD1-CZ2 3.88Å; L605-W631 HydrophobicContact CD2-CH2 3.94Å; L605-W631 HydrophobicContact CD2-CZ3 4.31Å; Q627-W631 VanDerWaalsContact O-CB 3.31Å; Q627-W631 WeakPolarHBondContact O-CB 3.24Å; Q627-W631 PolarHBondContact O-N 3.46Å; A628-W631 PolarHBondContact O-N 3.46Å; A629-W631 VanDerWaalsContact C-N 3.29Å; A629-W631 PolarHBondContact O-N 3.46Å; W631-E633 PolarHBondContact O-N 3.11Å; W631-Y634 WeakPolarHBondContact O-CB 3.03Å; W631-Y634 PolarHBondContact O-N 2.97Å; W631-E635 HydrophobicContact CD2-CG 4.28Å; W631-E635 HydrophobicContact CG-CG 4.35Å; W631-E635 HydrophobicContact CZ2-CG 4.07Å; W631-E635 PolarHBondContact NE1-OE1 2.98Å; W631-E635 WeakPolarHBondContact O-CG 2.93Å; W631-E635 PolarHBondContact O-N 2.82Å; W631-I643 HydrophobicContact CH2-CD1 4.27Å; W631-I643 HydrophobicContact CZ2-CD1 4.21Å
632L81.8Confident76.1Confident6 Ų671.5 Ų71.53%0.03134%0.343CS..Hα-helixtrans-64.1-42.6-178.9-173.268.5000111.8I607 M612 A628 A629 Y634 E635 L636 I643I607-L632 HydrophobicContact CG1-CD1 3.88Å; I607-L632 HydrophobicContact CG1-CD2 4.13Å; I607-L632 HydrophobicContact CG2-CD2 3.99Å; M612-L632 HydrophobicContact CG-CD2 4.05Å; A628-L632 WeakPolarHBondContact O-CB 3.5Å; A628-L632 PolarHBondContact O-N 3.29Å; A629-L632 PolarHBondContact O-N 3.07Å; L632-Y634 VanDerWaalsContact C-N 3.31Å; L632-Y634 PolarHBondContact O-N 2.87Å; L632-E635 PolarHBondContact O-N 3.46Å; L632-L636 HydrophobicContact CD1-CD1 4.46Å; L632-L636 HydrophobicContact CG-CD1 4.03Å; L632-L636 HydrophobicContact CG-CG 4.47Å; L632-L636 WeakPolarHBondContact O-CB 3.03Å; L632-L636 VanDerWaalsContact O-CG 3.23Å; L632-L636 WeakPolarHBondContact O-CG 3.46Å; L632-L636 PolarHBondContact O-N 3.02Å; L632-I643 HydrophobicContact CD1-CD1 4.19Å; L632-I643 HydrophobicContact CD1-CG2 3.89Å
633E83.4Confident75.9Confident89 Ų8969.4 Ų69.442%0.41633%0.329SS..Hα-helixtrans-58.7-43.8173.3-72.5173.4-17900110.8R619 A629 W631 L636 D637R619-E633 IonicContact CZ-OE1 3.76Å; R619-E633 IonicContact NH1-OE1 2.61Å; R619-E633 PolarHBondContact NH1-OE1 3.25Å; R619-E633 IonicContact NH1-OE2 3.18Å; A629-E633 WeakPolarHBondContact O-CB 3.37Å; A629-E633 WeakPolarHBondContact O-CG 3.28Å; A629-E633 PolarHBondContact O-N 3.33Å; W631-E633 PolarHBondContact O-N 3.11Å; E633-L636 PolarHBondContact O-N 3.04Å; E633-D637 WeakPolarHBondContact O-CB 3.38Å; E633-D637 VanDerWaalsContact O-CG 3.31Å; E633-D637 PolarHBondContact O-N 2.76Å
634Y78.2Confident76Confident102 Ų10267.9 Ų67.940%0.433%0.328SS..Hα-helixtrans-60.9-49.8175.7175.8-90.9000112.6N630 W631 L632 L636 D637 H638N630-Y634 VanDerWaalsContact O-CB 3.26Å; N630-Y634 WeakPolarHBondContact O-CB 3.49Å; N630-Y634 PolarHBondContact O-N 3.15Å; W631-Y634 WeakPolarHBondContact O-CB 3.03Å; W631-Y634 PolarHBondContact O-N 2.97Å; L632-Y634 VanDerWaalsContact C-N 3.31Å; L632-Y634 PolarHBondContact O-N 2.87Å; Y634-L636 VanDerWaalsContact C-N 3.33Å; Y634-L636 PolarHBondContact O-N 3.07Å; Y634-D637 PolarHBondContact O-N 3.48Å; Y634-H638 AromaticContact CD2-CE1 3.39Å; Y634-H638 WeakPolarHBondContact CD2-CE1 3.36Å; Y634-H638 AromaticContact CD2-ND1 3.68Å; Y634-H638 AromaticContact CE2-CE1 3.11Å; Y634-H638 WeakPolarHBondContact CE2-CE1 3.45Å; Y634-H638 AromaticContact CE2-ND1 3.62Å; Y634-H638 AromaticContact CE2-NE2 3.56Å; Y634-H638 AromaticContact CG-ND1 3.96Å; Y634-H638 AromaticContact CZ-CE1 3.66Å; Y634-H638 AromaticContact CZ-ND1 3.85Å; Y634-H638 AromaticContact CZ-NE2 3.84Å; Y634-H638 PolarHBondContact O-N 3.15Å; Y634-H638 PolarHBondContact O-ND1 3.37Å
635E74.6Confident76.3Confident41 Ų4167.2 Ų67.219%0.19233%0.327CS..Hα-helixtrans-64.8-37.2-178.6-63.7-67.2162.400112.4W631 L632 H638 Q639 N640 I643W631-E635 HydrophobicContact CD2-CG 4.28Å; W631-E635 HydrophobicContact CG-CG 4.35Å; W631-E635 HydrophobicContact CZ2-CG 4.07Å; W631-E635 PolarHBondContact NE1-OE1 2.98Å; W631-E635 WeakPolarHBondContact O-CG 2.93Å; W631-E635 PolarHBondContact O-N 2.82Å; L632-E635 PolarHBondContact O-N 3.46Å; E635-H638 CarbonylContact O-C 3.52Å; E635-H638 PolarHBondContact O-N 2.86Å; E635-Q639 PolarHBondContact O-N 3.18Å; E635-N640 HydrophobicContact CB-CB 4.06Å; E635-N640 WeakPolarHBondContact O-CB 3.3Å; E635-N640 PolarHBondContact O-N 3.24Å; E635-N640 PolarHBondContact OE2-ND2 3.42Å; E635-I643 HydrophobicContact CB-CD1 3.54Å; E635-I643 HydrophobicContact CG-CD1 3.9Å
636L74.1Confident76.1Confident54 Ų5468.8 Ų68.828%0.28333%0.334SS..Hα-helixtrans-69.2-41.2176.2-69.4173.7000111.7M612 L632 E633 Y634 H638 Q639 I643 V645M612-L636 HydrophobicContact SD-CD1 4.44Å; L632-L636 HydrophobicContact CD1-CD1 4.46Å; L632-L636 HydrophobicContact CG-CD1 4.03Å; L632-L636 HydrophobicContact CG-CG 4.47Å; L632-L636 WeakPolarHBondContact O-CB 3.03Å; L632-L636 VanDerWaalsContact O-CG 3.23Å; L632-L636 WeakPolarHBondContact O-CG 3.46Å; L632-L636 PolarHBondContact O-N 3.02Å; E633-L636 PolarHBondContact O-N 3.04Å; Y634-L636 VanDerWaalsContact C-N 3.33Å; Y634-L636 PolarHBondContact O-N 3.07Å; L636-H638 PolarHBondContact O-N 3.44Å; L636-Q639 PolarHBondContact O-N 2.94Å; L636-Q639 VanDerWaalsContact O-N 3.15Å; L636-I643 HydrophobicContact CD2-CB 4.48Å; L636-I643 HydrophobicContact CD2-CG2 3.93Å; L636-V645 HydrophobicContact CD1-CG2 3.84Å; L636-V645 HydrophobicContact CD2-CG2 3.63Å; L636-V645 HydrophobicContact CG-CG2 4.42Å
637D71.5Confident75.1Confident132 Ų13266.3 Ų66.371%0.70633%0.334SS*.Hα-helixtrans-62.9-29.8175.4-81.6-6.2000112.3E633 Y634E633-D637 WeakPolarHBondContact O-CB 3.38Å; E633-D637 VanDerWaalsContact O-CG 3.31Å; E633-D637 PolarHBondContact O-N 2.76Å; Y634-D637 PolarHBondContact O-N 3.48Å
638H67Low74.1Confident102 Ų10262.8 Ų62.847%0.47232%0.32SS..THydrogen-bonded Turntrans-95.411.8178.5-64.673000113.3Y634 E635 L636 N640Y634-H638 AromaticContact CD2-CE1 3.39Å; Y634-H638 WeakPolarHBondContact CD2-CE1 3.36Å; Y634-H638 AromaticContact CD2-ND1 3.68Å; Y634-H638 AromaticContact CE2-CE1 3.11Å; Y634-H638 WeakPolarHBondContact CE2-CE1 3.45Å; Y634-H638 AromaticContact CE2-ND1 3.62Å; Y634-H638 AromaticContact CE2-NE2 3.56Å; Y634-H638 AromaticContact CG-ND1 3.96Å; Y634-H638 AromaticContact CZ-CE1 3.66Å; Y634-H638 AromaticContact CZ-ND1 3.85Å; Y634-H638 AromaticContact CZ-NE2 3.84Å; Y634-H638 PolarHBondContact O-N 3.15Å; Y634-H638 PolarHBondContact O-ND1 3.37Å; E635-H638 CarbonylContact O-C 3.52Å; E635-H638 PolarHBondContact O-N 2.86Å; L636-H638 PolarHBondContact O-N 3.44Å; H638-N640 PolarHBondContact O-N 3.42Å
639Q60.2Low72.6Confident159 Ų15968.8 Ų68.874%0.74335%0.352SS*.THydrogen-bonded Turntrans54.647.9176.9-59.5-176.3-8.200113.8E635 L636 N641E635-Q639 PolarHBondContact O-N 3.18Å; L636-Q639 PolarHBondContact O-N 2.94Å; L636-Q639 VanDerWaalsContact O-N 3.15Å; Q639-N641 PolarHBondContact O-N 3Å
640N61.6Low70.9Confident41 Ų4175.1 Ų75.122%0.21938%0.376CS..  trans-63109.2174.3-172-22.8000110.8E635 H638 Y642 I643E635-N640 HydrophobicContact CB-CB 4.06Å; E635-N640 WeakPolarHBondContact O-CB 3.3Å; E635-N640 PolarHBondContact O-N 3.24Å; E635-N640 PolarHBondContact OE2-ND2 3.42Å; H638-N640 PolarHBondContact O-N 3.42Å; N640-Y642 PolarHBondContact O-N 3.18Å; N640-Y642 VanDerWaalsContact O-N 3.08Å; N640-Y642 WeakPolarHBondContact OD1-CB 3.46Å; N640-Y642 WeakPolarHBondContact OD1-CD2 3.38Å; N640-Y642 PolarHBondContact OD1-N 3.28Å; N640-I643 HydrophobicContact CB-CD1 4.45Å; N640-I643 HydrophobicContact CB-CG1 4.29Å; N640-I643 PolarHBondContact O-N 2.9Å
641N66.9Low68.5Low139 Ų13978.1 Ų78.174%0.74339%0.387SS*.THydrogen-bonded Turntrans-63.6-13.7-177.8-65.8-38.2000114.2Q639 I643Q639-N641 PolarHBondContact O-N 3Å; N641-I643 VanDerWaalsContact C-N 3.35Å
642Y70.2Confident65.9Low88 Ų8884.9 Ų84.935%0.34543%0.425SS..THydrogen-bonded Turntrans-901.3175.2-59.1-78.8000112.6F265 H603 V604 L605 N640F265-Y642 WeakPolarHBondContact CE1-OH 3.43Å; F265-Y642 HydrophobicContact CE2-CE2 4.3Å; F265-Y642 AromaticContact CZ-CE1 3.97Å; F265-Y642 HydrophobicContact CZ-CE1 3.97Å; F265-Y642 AromaticContact CZ-CE2 3.99Å; F265-Y642 HydrophobicContact CZ-CE2 3.99Å; F265-Y642 AromaticContact CZ-CZ 3.49Å; F265-Y642 VanDerWaalsContact CZ-CZ 3.49Å; F265-Y642 VanDerWaalsContact CZ-OH 3.25Å; F265-Y642 WeakPolarHBondContact CZ-OH 3.3Å; H603-Y642 WeakPolarHBondContact O-CD1 3.47Å; V604-Y642 CarbonylContact C-O 3.51Å; V604-Y642 WeakPolarHBondContact CA-O 3.22Å; L605-Y642 PolarHBondContact N-O 3.14Å; N640-Y642 PolarHBondContact O-N 3.18Å; N640-Y642 VanDerWaalsContact O-N 3.08Å; N640-Y642 WeakPolarHBondContact OD1-CB 3.46Å; N640-Y642 WeakPolarHBondContact OD1-CD2 3.38Å; N640-Y642 PolarHBondContact OD1-N 3.28Å
643I76.5Confident63.5Low13 Ų1392.5 Ų92.57%0.06746%0.458CS..EExtended strand (participates in β ladder)trans-119.6123.6176.8-52.9-172.4000109.9L598 L605 I607 W631 L632 E635 L636 N640 N641L598-I643 HydrophobicContact CD1-CD1 4.1Å; L598-I643 HydrophobicContact CD1-CG1 4.08Å; L605-I643 HydrophobicContact CB-CG1 4.32Å; L605-I643 CarbonylContact O-C 3.51Å; L605-I643 WeakPolarHBondContact O-CA 3.47Å; I607-I643 HydrophobicContact CG1-CG2 4.3Å; W631-I643 HydrophobicContact CH2-CD1 4.27Å; W631-I643 HydrophobicContact CZ2-CD1 4.21Å; L632-I643 HydrophobicContact CD1-CD1 4.19Å; L632-I643 HydrophobicContact CD1-CG2 3.89Å; E635-I643 HydrophobicContact CB-CD1 3.54Å; E635-I643 HydrophobicContact CG-CD1 3.9Å; L636-I643 HydrophobicContact CD2-CB 4.48Å; L636-I643 HydrophobicContact CD2-CG2 3.93Å; N640-I643 HydrophobicContact CB-CD1 4.45Å; N640-I643 HydrophobicContact CB-CG1 4.29Å; N640-I643 PolarHBondContact O-N 2.9Å; N641-I643 VanDerWaalsContact C-N 3.35Å
644C77.7Confident61.1Low56 Ų5695.3 Ų95.338%0.37848%0.476SS..EExtended strand (participates in β ladder)trans-117.8136.2178.3-51.50000110V604 L605 I606 I607V604-C644 VanDerWaalsContact CG1-SG 3.54Å; L605-C644 PolarHBondContact O-N 3.34Å; I606-C644 CarbonylContact C-O 3.45Å; I606-C644 WeakPolarHBondContact CA-O 2.94Å; I606-C644 HydrophobicContact CG1-CB 4.35Å; I607-C644 PolarHBondContact N-O 2.91Å
645V81.8Confident58.8Low63 Ų6394.4 Ų94.438%0.38250%0.498SS..EExtended strand (participates in β ladder)trans-99.9122.7174-176.60000109.4I607 M609 M612 L636I607-V645 CarbonylContact O-C 3.51Å; I607-V645 VanDerWaalsContact O-CA 3.32Å; I607-V645 WeakPolarHBondContact O-CA 3.4Å; M609-V645 HydrophobicContact CG-CG1 4.3Å; M609-V645 HydrophobicContact SD-CG1 3.58Å; M609-V645 VanDerWaalsContact SD-CG1 3.58Å; M612-V645 HydrophobicContact SD-CG1 3.85Å; M612-V645 HydrophobicContact SD-CG2 4.19Å; L636-V645 HydrophobicContact CD1-CG2 3.84Å; L636-V645 HydrophobicContact CD2-CG2 3.63Å; L636-V645 HydrophobicContact CG-CG2 4.42Å
646H78Confident56.9Low32 Ų32100.8 Ų100.815%0.14853%0.53CS..EExtended strand (participates in β ladder)trans-99.6121.7179.3-173.458.3000111.6I606 I607 M609 D671 A672 R675I606-H646 HydrophobicContact CG2-CB 3.95Å; I607-H646 PolarHBondContact O-N 3.48Å; M609-H646 WeakPolarHBondContact CG-O 3.33Å; M609-H646 PolarHBondContact N-O 3.37Å; H646-D671 IonicContact CE1-OD2 2.9Å; H646-D671 IonicContact NE2-OD2 3.04Å; H646-D671 PolarHBondContact NE2-OD2 3.27Å; H646-A672 HydrophobicContact CB-CB 4.19Å; H646-A672 VanDerWaalsContact CD2-CB 3.48Å; H646-A672 WeakPolarHBondContact CD2-CB 3.22Å; H646-R675 WeakPolarHBondContact CE1-CD 3.48Å; H646-R675 PolarHBondContact CE1-NE 3.1Å
647S64Low55.2Low65 Ų65105.4 Ų105.446%0.45555%0.55SS..PPolyproline II helixtrans-103.6129172.5-175.40000110.4
648C58.7Low53.7Low24 Ų24108.3 Ų108.316%0.16255%0.551CS.*  trans-91.7106.9172.6-66.20000109.9Y650 D671C648-Y650 VanDerWaalsContact C-N 3.29Å; C648-Y650 HydrophobicContact CB-CD2 3.88Å; C648-Y650 HydrophobicContact CB-CE2 3.93Å; C648-Y650 PolarHBondContact O-N 2.93Å; C648-D671 PolarHBondContact SG-OD2 2.72Å
649D46.5Very low52.6Low127 Ų127109.4 Ų109.468%0.67956%0.56SS**  trans-7976170.2-64.7-27.6000110.2E651D649-E651 PolarHBondContact O-N 3.22Å
650Y48.5Very low52.2Low138 Ų138106.2 Ų106.254%0.54155%0.548SS..  trans-75.283.5163.5-77.6-79.9000108.6C648 N652C648-Y650 VanDerWaalsContact C-N 3.29Å; C648-Y650 HydrophobicContact CB-CD2 3.88Å; C648-Y650 HydrophobicContact CB-CE2 3.93Å; C648-Y650 PolarHBondContact O-N 2.93Å; Y650-N652 PolarHBondContact O-N 3.07Å; Y650-N652 VanDerWaalsContact O-N 3.14Å
651E34.2Very low51.6Low147 Ų147108.4 Ų108.469%0.68757%0.572SS**  trans-58.1118.6158.5-73.7-167.3158.600107.9D649 K653D649-E651 PolarHBondContact O-N 3.22Å; E651-K653 VanDerWaalsContact C-N 3.25Å; E651-K653 PolarHBondContact O-N 3.34Å
652N29.7Very low51.1Low165 Ų165106.7 Ų106.788%0.88256%0.563SS**SBendtrans-44.378.2175.4-89.5-33.6000113.3Y650Y650-N652 PolarHBondContact O-N 3.07Å; Y650-N652 VanDerWaalsContact O-N 3.14Å
653K30.3Very low50.6Low165 Ų165107.1 Ų107.172%0.71757%0.568SS**SBendtrans-103.5-9.7175.5-81.4-174.3179.8166.80114.6E651E651-K653 VanDerWaalsContact C-N 3.25Å; E651-K653 PolarHBondContact O-N 3.34Å
654N34Very low49.8Very low149 Ų149107.8 Ų107.880%0.79757%0.574SS**SBendtrans-151120.7166.8-76.1-47.3000109.6M656N654-M656 PolarHBondContact O-N 3.26Å
655G29.6Very low49.2Very low83 Ų83105.6 Ų105.686%0.85656%0.559SS**  trans-68.554.2-175.900000115.5Q657G655-Q657 PolarHBondContact O-N 3Å
656M35Very low49Very low174 Ų174104 Ų10486%0.85755%0.546SS*.  trans-76.5109.1168-104.4169.776.700109.2N654 R658N654-M656 PolarHBondContact O-N 3.26Å; M656-R658 PolarHBondContact O-N 3.33Å
657Q37.7Very low49Very low152 Ų152106.7 Ų106.771%0.7156%0.561SS**  trans-51.9118.2170.8-71.7174-20.700110G655 N659G655-Q657 PolarHBondContact O-N 3Å; Q657-N659 VanDerWaalsContact C-N 3.33Å; Q657-N659 WeakPolarHBondContact CB-OD1 3.07Å; Q657-N659 PolarHBondContact O-N 3.12Å
658R40.3Very low49.9Very low192 Ų192104.2 Ų104.273%0.72554%0.543SS*.  trans-65.190.2169.5-79.9179.7169.3173.4-6.1108.8M656M656-R658 PolarHBondContact O-N 3.33Å
659N43.3Very low51.1Low126 Ų126103 Ų10367%0.67454%0.535SS*.  trans-89.5-4.5-173.5-77.9-18.4000115.1Q657Q657-N659 VanDerWaalsContact C-N 3.33Å; Q657-N659 WeakPolarHBondContact CB-OD1 3.07Å; Q657-N659 PolarHBondContact O-N 3.12Å
660N51.5Low52.7Low92 Ų9298.1 Ų98.149%0.49251%0.508SS..  trans-135.8106.3176.8-87.2-19.2000112.5N662 E663N660-N662 PolarHBondContact O-N 3.34Å; N660-N662 VanDerWaalsContact O-N 3.1Å; N660-E663 HydrophobicContact CB-CB 4.18Å; N660-E663 HydrophobicContact CB-CG 4.08Å; N660-E663 PolarHBondContact ND2-OE1 2.93Å; N660-E663 PolarHBondContact O-N 2.79Å; N660-E663 VanDerWaalsContact O-N 3.13Å
661A50.1Low54.2Low87 Ų8793 Ų9372%0.71949%0.49SS*.THydrogen-bonded Turntrans-62.1-17.2178.500000114.4
662N54.6Low56.3Low103 Ų10386.1 Ų86.155%0.55146%0.459SS*.THydrogen-bonded Turntrans-89.6-16.2177.6-78.8-17000113.9K614 N660 Y666K614-N662 PolarHBondContact NZ-OD1 2.82Å; N660-N662 PolarHBondContact O-N 3.34Å; N660-N662 VanDerWaalsContact O-N 3.1Å; N662-Y666 WeakPolarHBondContact O-CD2 3.47Å; N662-Y666 WeakPolarHBondContact O-CE2 3.42Å
663E60.4Low58.7Low96 Ų9678.3 Ų78.345%0.44942%0.417SS..THydrogen-bonded Turntrans-87.6-18.9178.5-77.2168.2-159.300112.8N660 Y666 L667N660-E663 HydrophobicContact CB-CB 4.18Å; N660-E663 HydrophobicContact CB-CG 4.08Å; N660-E663 PolarHBondContact ND2-OE1 2.93Å; N660-E663 PolarHBondContact O-N 2.79Å; N660-E663 VanDerWaalsContact O-N 3.13Å; E663-Y666 PolarHBondContact O-N 3.18Å; E663-L667 PolarHBondContact O-N 2.76Å
664C59.3Low60.9Low28 Ų2873.2 Ų73.219%0.18940%0.402CS..Hα-helixtrans-56.4-45-176.7-161.80000114.3Y666 L667 D668C664-Y666 VanDerWaalsContact C-N 3.31Å; C664-Y666 PolarHBondContact O-N 3.05Å; C664-L667 PolarHBondContact O-N 3.24Å; C664-D668 PolarHBondContact O-N 2.94Å
665P66.4Low62.6Low10 Ų1073 Ų737%0.06539%0.39CS..Hα-helixtrans-64.8-36.5-178.6-19.632.6000112.6P584 K614 I669P584-P665 HydrophobicContact CG-CB 4.27Å; K614-P665 HydrophobicContact CB-CG 4.48Å; P665-I669 WeakPolarHBondContact O-CB 3.47Å; P665-I669 WeakPolarHBondContact O-CD1 3.48Å; P665-I669 WeakPolarHBondContact O-CG1 3.45Å; P665-I669 PolarHBondContact O-N 2.74Å
666Y77.9Confident64.5Low29 Ų2971.2 Ų71.211%0.11436%0.36CS..Hα-helixtrans-68.8-39.1-178.1-59.3-57.9000112D583 N662 E663 C664 I669 I670 F704 M707D583-Y666 HydrophobicContact CB-CE1 4.41Å; N662-Y666 WeakPolarHBondContact O-CD2 3.47Å; N662-Y666 WeakPolarHBondContact O-CE2 3.42Å; E663-Y666 PolarHBondContact O-N 3.18Å; C664-Y666 VanDerWaalsContact C-N 3.31Å; C664-Y666 PolarHBondContact O-N 3.05Å; Y666-I669 PolarHBondContact O-N 3.27Å; Y666-I670 WeakPolarHBondContact O-CD1 3.19Å; Y666-I670 VanDerWaalsContact O-CG1 3.25Å; Y666-I670 WeakPolarHBondContact O-CG1 3.38Å; Y666-I670 PolarHBondContact O-N 2.89Å; Y666-F704 AromaticContact CD1-CD1 3.98Å; Y666-F704 HydrophobicContact CD1-CD1 3.98Å; Y666-F704 AromaticContact CD1-CD2 3.56Å; Y666-F704 HydrophobicContact CD1-CD2 3.56Å; Y666-F704 AromaticContact CD1-CE1 3.83Å; Y666-F704 HydrophobicContact CD1-CE1 3.83Å; Y666-F704 AromaticContact CD1-CE2 3.42Å; Y666-F704 HydrophobicContact CD1-CE2 3.42Å; Y666-F704 VanDerWaalsContact CD1-CE2 3.42Å; Y666-F704 AromaticContact CD1-CG 3.84Å; Y666-F704 HydrophobicContact CD1-CG 3.84Å; Y666-F704 AromaticContact CD1-CZ 3.55Å; Y666-F704 HydrophobicContact CD1-CZ 3.55Å; Y666-F704 HydrophobicContact CE1-CD1 4.04Å; Y666-F704 HydrophobicContact CE1-CD2 4.32Å; Y666-F704 HydrophobicContact CE1-CE1 4.08Å; Y666-F704 HydrophobicContact CE1-CE2 4.4Å; Y666-F704 HydrophobicContact CE1-CG 4.15Å; Y666-F704 HydrophobicContact CE1-CZ 4.27Å; Y666-F704 AromaticContact CG-CD2 3.98Å; Y666-F704 HydrophobicContact CG-CD2 3.98Å; Y666-F704 AromaticContact CG-CE2 3.97Å; Y666-F704 HydrophobicContact CG-CE2 3.97Å; Y666-F704 HydrophobicContact CG-CZ 4.49Å; Y666-M707 HydrophobicContact CD2-CE 4.3Å; Y666-M707 HydrophobicContact CG-CE 4.26Å
667L78Confident65.9Low88 Ų8866 Ų6646%0.46133%0.334SS..Hα-helixtrans-65.6-41.5177.3-69174.4000112.2E663 C664 I670 D671E663-L667 PolarHBondContact O-N 2.76Å; C664-L667 PolarHBondContact O-N 3.24Å; L667-I670 PolarHBondContact O-N 3.44Å; L667-D671 PolarHBondContact O-N 3.13Å
668D80.9Confident66.5Low13 Ų1362.2 Ų62.27%0.0732%0.324CS..Hα-helixtrans-71.5-33.4178.1-68.3-2000111.6T608 S610 C664 I670 D671 A672T608-D668 HydrophobicContact CG2-CB 4.26Å; T608-D668 WeakPolarHBondContact CG2-O 3.47Å; S610-D668 WeakPolarHBondContact CB-OD2 3.38Å; S610-D668 WeakPolarHBondContact OG-CB 3.25Å; S610-D668 PolarHBondContact OG-OD2 3.33Å; C664-D668 PolarHBondContact O-N 2.94Å; D668-I670 VanDerWaalsContact C-N 3.31Å; D668-D671 PolarHBondContact O-N 3.23Å; D668-A672 WeakPolarHBondContact O-CB 3.33Å; D668-A672 PolarHBondContact O-N 3.41Å
669I83.9Confident66.7Low0 Ų061.5 Ų61.50%034%0.335CS..Hα-helixtrans-62.1-42.9172.6-73.3164.4000110.2V581 D583 T608 P665 Y666 A672 C673 I690 F704V581-I669 HydrophobicContact CB-CG2 4.36Å; V581-I669 HydrophobicContact CG1-CB 4.31Å; V581-I669 HydrophobicContact CG1-CG1 4.23Å; V581-I669 HydrophobicContact CG1-CG2 3.68Å; D583-I669 HydrophobicContact CB-CD1 3.87Å; T608-I669 HydrophobicContact CG2-CB 4.49Å; T608-I669 HydrophobicContact CG2-CG1 3.94Å; P665-I669 WeakPolarHBondContact O-CB 3.47Å; P665-I669 WeakPolarHBondContact O-CD1 3.48Å; P665-I669 WeakPolarHBondContact O-CG1 3.45Å; P665-I669 PolarHBondContact O-N 2.74Å; Y666-I669 PolarHBondContact O-N 3.27Å; I669-A672 WeakPolarHBondContact O-CB 3.35Å; I669-A672 PolarHBondContact O-N 3.43Å; I669-C673 PolarHBondContact O-N 3.38Å; I669-C673 PolarHBondContact O-SG 3.23Å; I669-C673 VanDerWaalsContact O-SG 3.41Å; I669-I690 HydrophobicContact CG2-CD1 4.27Å; I669-I690 HydrophobicContact CG2-CG1 4.16Å; I669-I690 HydrophobicContact CG2-CG2 3.92Å; I669-F704 HydrophobicContact CB-CZ 4.32Å; I669-F704 HydrophobicContact CD1-CZ 4.19Å; I669-F704 HydrophobicContact CG2-CE2 4.44Å; I669-F704 HydrophobicContact CG2-CZ 3.81Å
670I81.6Confident66.7Low23 Ų2363.6 Ų63.612%0.11834%0.34CS..Hα-helixtrans-66.1-42176.8-68.2163.5000110.8Y666 L667 D668 A672 C673 C674 F704 M707 L711Y666-I670 WeakPolarHBondContact O-CD1 3.19Å; Y666-I670 VanDerWaalsContact O-CG1 3.25Å; Y666-I670 WeakPolarHBondContact O-CG1 3.38Å; Y666-I670 PolarHBondContact O-N 2.89Å; L667-I670 PolarHBondContact O-N 3.44Å; D668-I670 VanDerWaalsContact C-N 3.31Å; I670-A672 VanDerWaalsContact C-N 3.35Å; I670-A672 PolarHBondContact O-N 3.16Å; I670-C673 PolarHBondContact O-N 3.47Å; I670-C674 PolarHBondContact O-N 3.41Å; I670-C674 PolarHBondContact O-SG 3.03Å; I670-F704 HydrophobicContact CD1-CE2 4.35Å; I670-F704 HydrophobicContact CG1-CE2 4.37Å; I670-M707 HydrophobicContact CD1-CB 3.49Å; I670-M707 VanDerWaalsContact CD1-CB 3.49Å; I670-L711 HydrophobicContact CG1-CD1 4.48Å; I670-L711 HydrophobicContact CG2-CD1 4.27Å; I670-L711 HydrophobicContact CG2-CD2 4.5Å
671D79.3Confident66.4Low30 Ų3061.4 Ų61.416%0.1633%0.332CS..Hα-helixtrans-59.7-44.1173.9-175.377.4000112H646 C648 L667 D668 C673 C674 R675H646-D671 IonicContact CE1-OD2 2.9Å; H646-D671 IonicContact NE2-OD2 3.04Å; H646-D671 PolarHBondContact NE2-OD2 3.27Å; C648-D671 PolarHBondContact SG-OD2 2.72Å; L667-D671 PolarHBondContact O-N 3.13Å; D668-D671 PolarHBondContact O-N 3.23Å; D671-C673 VanDerWaalsContact C-N 3.32Å; D671-C673 PolarHBondContact O-N 3.38Å; D671-C674 WeakPolarHBondContact O-CB 3.3Å; D671-C674 PolarHBondContact O-N 3.42Å; D671-R675 PolarHBondContact O-N 3.41Å; D671-R675 VanDerWaalsContact O-N 3.11Å; D671-R675 IonicContact OD1-NE 2.75Å; D671-R675 IonicContact OD2-CZ 3.28Å; D671-R675 IonicContact OD2-NE 3.16Å; D671-R675 PolarHBondContact OD2-NE 3.45Å; D671-R675 IonicContact OD2-NH2 2.79Å; D671-R675 PolarHBondContact OD2-NH2 3.39Å
672A78.5Confident66Low4 Ų464.4 Ų64.43%0.03334%0.342CS..Hα-helixtrans-57.9-45.8175.600000111.1I606 T608 H646 D668 I669 I670 R675 L676I606-A672 HydrophobicContact CG2-CB 4.17Å; T608-A672 HydrophobicContact CG2-CB 3.87Å; H646-A672 HydrophobicContact CB-CB 4.19Å; H646-A672 VanDerWaalsContact CD2-CB 3.48Å; H646-A672 WeakPolarHBondContact CD2-CB 3.22Å; D668-A672 WeakPolarHBondContact O-CB 3.33Å; D668-A672 PolarHBondContact O-N 3.41Å; I669-A672 WeakPolarHBondContact O-CB 3.35Å; I669-A672 PolarHBondContact O-N 3.43Å; I670-A672 VanDerWaalsContact C-N 3.35Å; I670-A672 PolarHBondContact O-N 3.16Å; A672-R675 PolarHBondContact O-N 3.5Å; A672-L676 WeakPolarHBondContact O-CG 3.27Å
673C80Confident65.7Low1 Ų165.8 Ų65.81%0.00735%0.349CS..Hα-helixtrans-66.4-36.7176.1-69.90000113.4V581 I669 I670 D671 R675 L676 I690 L711V581-C673 VanDerWaalsContact CG2-SG 3.6Å; I669-C673 PolarHBondContact O-N 3.38Å; I669-C673 PolarHBondContact O-SG 3.23Å; I669-C673 VanDerWaalsContact O-SG 3.41Å; I670-C673 PolarHBondContact O-N 3.47Å; D671-C673 VanDerWaalsContact C-N 3.32Å; D671-C673 PolarHBondContact O-N 3.38Å; C673-R675 VanDerWaalsContact C-N 3.32Å; C673-R675 PolarHBondContact O-N 3.35Å; C673-L676 PolarHBondContact O-N 3.43Å; C673-I690 VanDerWaalsContact SG-CG1 3.52Å; C673-L711 HydrophobicContact CB-CD1 3.61Å; C673-L711 HydrophobicContact CB-CD2 4.04Å; C673-L711 HydrophobicContact CB-CG 4.46Å
674C76.1Confident65.2Low58 Ų5864.9 Ų64.939%0.39237%0.365SS..Hα-helixtrans-59.7-42.3176-75.70000111.5I670 D671 L676 Q677 L711I670-C674 PolarHBondContact O-N 3.41Å; I670-C674 PolarHBondContact O-SG 3.03Å; D671-C674 WeakPolarHBondContact O-CB 3.3Å; D671-C674 PolarHBondContact O-N 3.42Å; C674-L676 PolarHBondContact O-N 3.08Å; C674-Q677 WeakPolarHBondContact O-CB 3.5Å; C674-Q677 PolarHBondContact O-N 3.2Å; C674-Q677 VanDerWaalsContact O-N 3.1Å; C674-L711 HydrophobicContact CB-CD2 4.4Å; C674-L711 WeakPolarHBondContact SG-CD2 3.35Å
675R70.6Confident65.1Low145 Ų14564.8 Ų64.855%0.54737%0.367SS..Hα-helixtrans-71.8-18.1-177.8-68.3176.9-171-124.21.2114.1H646 D671 A672 C673H646-R675 WeakPolarHBondContact CE1-CD 3.48Å; H646-R675 PolarHBondContact CE1-NE 3.1Å; D671-R675 PolarHBondContact O-N 3.41Å; D671-R675 VanDerWaalsContact O-N 3.11Å; D671-R675 IonicContact OD1-NE 2.75Å; D671-R675 IonicContact OD2-CZ 3.28Å; D671-R675 IonicContact OD2-NE 3.16Å; D671-R675 PolarHBondContact OD2-NE 3.45Å; D671-R675 IonicContact OD2-NH2 2.79Å; D671-R675 PolarHBondContact OD2-NH2 3.39Å; A672-R675 PolarHBondContact O-N 3.5Å; C673-R675 VanDerWaalsContact C-N 3.32Å; C673-R675 PolarHBondContact O-N 3.35Å
676L68.8Low64.7Low45 Ų4566 Ų6624%0.23638%0.375CS..THydrogen-bonded Turntrans-78.3-10.9172.9-61.6165.7000112.4H579 I606 A672 C673 C674 S678 A688H579-L676 HydrophobicContact CB-CD1 3.85Å; I606-L676 HydrophobicContact CD1-CD1 3.27Å; I606-L676 HydrophobicContact CD1-CD2 3.6Å; I606-L676 HydrophobicContact CD1-CG 3.93Å; A672-L676 WeakPolarHBondContact O-CG 3.27Å; C673-L676 PolarHBondContact O-N 3.43Å; C674-L676 PolarHBondContact O-N 3.08Å; L676-S678 VanDerWaalsContact C-N 3.32Å; L676-S678 PolarHBondContact O-N 3.39Å; L676-A688 HydrophobicContact CD1-CB 4.31Å
677Q64.1Low64.5Low64 Ų6467.1 Ų67.130%0.29938%0.383SS..  trans-81.284.2174.1-57.6-177.12.500107.9C674C674-Q677 WeakPolarHBondContact O-CB 3.5Å; C674-Q677 PolarHBondContact O-N 3.2Å; C674-Q677 VanDerWaalsContact O-N 3.1Å
678S50.3Low64.8Low72 Ų7263.1 Ų63.150%0.50336%0.363SS..  trans-69.4139.3164.550.10000109.5L676 E680 S681L676-S678 VanDerWaalsContact C-N 3.32Å; L676-S678 PolarHBondContact O-N 3.39Å; S678-E680 PolarHBondContact O-N 3.41Å; S678-S681 PolarHBondContact O-N 3.25Å
679D45.3Very low65.1Low178 Ų17862.5 Ų62.595%0.95236%0.359SS*.THydrogen-bonded Turntrans-58.5-0.8177.7-81.6-33.1000114
680E43.8Very low65.4Low169 Ų16962.5 Ų62.579%0.7936%0.359SS*.THydrogen-bonded Turntrans-110.44.7-171.7-62.5-171.6162.100114.9S678 T682S678-E680 PolarHBondContact O-N 3.41Å; E680-T682 PolarHBondContact O-N 3.38Å
681S44.9Very low65.8Low47 Ų4761.4 Ų61.433%0.32935%0.354SS..  trans-74.689.6172.652.80000111.2S678 D683 N713S678-S681 PolarHBondContact O-N 3.25Å; S681-D683 PolarHBondContact O-N 2.88Å; S681-N713 PolarHBondContact OG-ND2 3.05Å
682T41.5Very low66.2Low149 Ų14960 Ų6091%0.91435%0.346SS*.  trans-76.8-4.118033.30000114.2E680E680-T682 PolarHBondContact O-N 3.38Å
683D49.1Very low66.4Low133 Ų13359.8 Ų59.871%0.71134%0.344SS*.SBendtrans-122.1131.9173-111.9-24.9000108.6S681 A685S681-D683 PolarHBondContact O-N 2.88Å; D683-A685 PolarHBondContact O-N 3.19Å
684G49.7Very low66.4Low76 Ų7660.9 Ų60.978%0.78435%0.35SS*.  trans-66.737.5-178.500000115
685A55.7Low66.2Low26 Ų2665.3 Ų65.322%0.21536%0.359CS..  trans-77.4131.2178.900000110.8D683 N687D683-A685 PolarHBondContact O-N 3.19Å; A685-N687 PolarHBondContact O-N 3.25Å; A685-N687 VanDerWaalsContact O-N 3.14Å; A685-N687 PolarHBondContact O-OD1 3.43Å
686C58.9Low65.8Low36 Ų3661.1 Ų61.124%0.24335%0.349CS..  trans-68107.3175.6-176.20000109.9A688C686-A688 PolarHBondContact SG-O 2.71Å
687N74.5Confident65.7Low52 Ų5265.7 Ų65.728%0.27837%0.374SS..  trans-92.4-14-176.2-74.4-10.9000113.7V578 H579 A685 N713V578-N687 PolarHBondContact N-O 3.17Å; H579-N687 WeakPolarHBondContact CB-O 3.41Å; H579-N687 PolarHBondContact N-O 3.44Å; H579-N687 PolarHBondContact ND1-O 2.85Å; A685-N687 PolarHBondContact O-N 3.25Å; A685-N687 VanDerWaalsContact O-N 3.14Å; A685-N687 PolarHBondContact O-OD1 3.43Å; N687-N713 PolarHBondContact N-O 3.37Å
688A82.9Confident66.2Low4 Ų464.8 Ų64.83%0.03337%0.373CS..EExtended strand (participates in β ladder)trans-132.4138.1-178.500000112.8H579 L676 C686 N713 A714 V715H579-A688 HydrophobicContact CB-CB 4.23Å; H579-A688 CarbonylContact O-C 3.59Å; H579-A688 VanDerWaalsContact O-CA 3.26Å; H579-A688 WeakPolarHBondContact O-CA 3.44Å; L676-A688 HydrophobicContact CD1-CB 4.31Å; C686-A688 PolarHBondContact SG-O 2.71Å; A688-N713 PolarHBondContact N-O 3.05Å; A688-A714 HydrophobicContact CB-CB 4.14Å; A688-A714 CarbonylContact O-C 3.39Å; A688-A714 WeakPolarHBondContact O-CA 3.37Å; A688-V715 PolarHBondContact O-N 3.43Å
689A88.4Confident67.5Low0 Ų067.5 Ų67.50%038%0.382CS..EExtended strand (participates in β ladder)trans-116.1115.5169.500000109.6P577 H579 L580 V581 L691 V715 F722P577-A689 HydrophobicContact CB-CB 3.86Å; P577-A689 HydrophobicContact CG-CB 4.08Å; H579-A689 PolarHBondContact O-N 3.12Å; L580-A689 CarbonylContact C-O 3.52Å; L580-A689 WeakPolarHBondContact CA-O 3.28Å; L580-A689 HydrophobicContact CD2-CB 3.88Å; V581-A689 PolarHBondContact N-O 2.83Å; A689-L691 HydrophobicContact CB-CD2 4.33Å; A689-L691 PolarHBondContact O-N 3.02Å; A689-V715 CarbonylContact C-O 3.52Å; A689-V715 WeakPolarHBondContact CA-O 3.37Å; A689-V715 HydrophobicContact CB-CG1 3.86Å; A689-F722 HydrophobicContact CB-CD2 4.17Å; A689-F722 HydrophobicContact CB-CE2 3.67Å; A689-F722 HydrophobicContact CB-CZ 4.08Å
690I90.3Very high68.9Low0 Ų064.7 Ų64.70%036%0.361CS..EExtended strand (participates in β ladder)trans-79.4111.3170.5-63171.8000107.5V581 I669 C673 F704 A708 L711 V715 V716 C717V581-I690 CarbonylContact O-C 3.45Å; V581-I690 WeakPolarHBondContact O-CA 3.35Å; I669-I690 HydrophobicContact CG2-CD1 4.27Å; I669-I690 HydrophobicContact CG2-CG1 4.16Å; I669-I690 HydrophobicContact CG2-CG2 3.92Å; C673-I690 VanDerWaalsContact SG-CG1 3.52Å; I690-F704 HydrophobicContact CG2-CD1 4.29Å; I690-F704 HydrophobicContact CG2-CE1 3.29Å; I690-F704 HydrophobicContact CG2-CE2 4.43Å; I690-F704 HydrophobicContact CG2-CZ 3.38Å; I690-A708 HydrophobicContact CD1-CB 4.14Å; I690-L711 HydrophobicContact CD1-CD1 3.8Å; I690-V715 PolarHBondContact N-O 3.01Å; I690-V716 HydrophobicContact CB-CG2 4.12Å; I690-V716 HydrophobicContact CD1-CG2 4.11Å; I690-V716 HydrophobicContact CG2-CG1 4.48Å; I690-V716 HydrophobicContact CG2-CG2 4.38Å; I690-V716 WeakPolarHBondContact O-CA 3.48Å; I690-C717 PolarHBondContact O-N 3.28Å
691L89.9Confident70.6Confident0 Ų057.7 Ų57.70%033%0.328CS..EExtended strand (participates in β ladder)trans-94.3125.9-177.3-60.4-177.5000110.1L580 V581 P582 D583 A586 I594 M597 A689 C717 V719 F722L580-L691 HydrophobicContact CB-CD1 3.98Å; L580-L691 HydrophobicContact CB-CG 4.49Å; L580-L691 HydrophobicContact CD1-CD1 4.17Å; L580-L691 HydrophobicContact CD2-CD1 4.28Å; L580-L691 HydrophobicContact CG-CD1 4.36Å; V581-L691 PolarHBondContact O-N 2.73Å; P582-L691 CarbonylContact C-O 3.58Å; P582-L691 VanDerWaalsContact CA-O 3.3Å; P582-L691 WeakPolarHBondContact CA-O 3.17Å; P582-L691 HydrophobicContact CB-CB 4.26Å; D583-L691 PolarHBondContact N-O 3.48Å; A586-L691 HydrophobicContact CB-CB 4.38Å; A586-L691 WeakPolarHBondContact CB-O 3.37Å; I594-L691 HydrophobicContact CG1-CD1 4.22Å; M597-L691 HydrophobicContact CE-CD1 3.83Å; A689-L691 HydrophobicContact CB-CD2 4.33Å; A689-L691 PolarHBondContact O-N 3.02Å; L691-C717 WeakPolarHBondContact CA-O 3.25Å; L691-V719 HydrophobicContact CB-CG2 3.87Å; L691-F722 HydrophobicContact CD2-CB 4.04Å; L691-F722 HydrophobicContact CD2-CD1 3.99Å; L691-F722 HydrophobicContact CD2-CD2 4.42Å; L691-F722 HydrophobicContact CD2-CG 3.88Å
692T87.7Confident72.2Confident0 Ų059.5 Ų59.50%033%0.331CS..EExtended strand (participates in β ladder)trans-123.9145.8177.2-177.80000112.3D583 Q694 Y701 V716 C717 N718 V719D583-T692 WeakPolarHBondContact OD2-CB 3.34Å; D583-T692 PolarHBondContact OD2-OG1 3.04Å; T692-Q694 HydrophobicContact CG2-CB 4.34Å; T692-Q694 WeakPolarHBondContact OG1-CG 3.45Å; T692-Q694 PolarHBondContact OG1-N 2.98Å; T692-Q694 VanDerWaalsContact OG1-N 3.07Å; T692-Y701 HydrophobicContact CG2-CD2 3.66Å; T692-Y701 HydrophobicContact CG2-CE2 3.77Å; T692-V716 HydrophobicContact CG2-CG1 4.32Å; T692-C717 PolarHBondContact N-O 2.87Å; T692-N718 WeakPolarHBondContact O-CA 3.34Å; T692-V719 PolarHBondContact O-N 3.48Å
693G82.2Confident73.9Confident0 Ų056.5 Ų56.50%031%0.309CS..SBendtrans-73.2-15.7167.600000113D583D583-G693 PolarHBondContact OD1-N 3.47Å
694Q79.9Confident75.3Confident25 Ų2550.3 Ų50.312%0.11728%0.276CS..SBendtrans-67.5137.7-179.8-56.7-57.2-46.200111T692 K700 N718T692-Q694 HydrophobicContact CG2-CB 4.34Å; T692-Q694 WeakPolarHBondContact OG1-CG 3.45Å; T692-Q694 PolarHBondContact OG1-N 2.98Å; T692-Q694 VanDerWaalsContact OG1-N 3.07Å; Q694-K700 HydrophobicContact CG-CB 4.13Å; Q694-N718 PolarHBondContact O-ND2 2.9Å
695Y71.3Confident76.9Confident150 Ų15051 Ų5159%0.58826%0.259SS*.PPolyproline II helixtrans-72.4148.4172.6-68.9-89000110.3T698 Y701Y695-T698 PolarHBondContact O-N 3.07Å; Y695-T698 PolarHBondContact O-OG1 3.35Å; Y695-Y701 WeakPolarHBondContact O-CB 3.42Å
696V62.8Low78.1Confident57 Ų5755.2 Ų55.235%0.34527%0.272SS..THydrogen-bonded Turntrans-54.9140.4166.9-171.30000107.6Y701V696-Y701 HydrophobicContact CG1-CE1 4.42Å
697D66.5Low78.9Confident142 Ų14256.4 Ų56.476%0.75928%0.275SS*.THydrogen-bonded Turntrans79.416.4-176.6-44.6-37.2000116.7
698T74.6Confident79.1Confident44 Ų4454.3 Ų54.327%0.2727%0.265SS..  trans-96.4141.8166.859.60000110.8Y695 K700 Y701 E702Y695-T698 PolarHBondContact O-N 3.07Å; Y695-T698 PolarHBondContact O-OG1 3.35Å; T698-K700 PolarHBondContact O-N 3.41Å; T698-Y701 WeakPolarHBondContact O-CA 3.22Å; T698-Y701 WeakPolarHBondContact O-CB 3.38Å; T698-Y701 PolarHBondContact O-N 3.3Å; T698-Y701 WeakPolarHBondContact OG1-CB 3.45Å; T698-Y701 PolarHBondContact OG1-N 3.15Å; T698-E702 PolarHBondContact O-N 2.87Å
699D77.3Confident78.7Confident129 Ų12961 Ų6169%0.6930%0.296SS*.Hα-helixtrans-50.6-33175.1-65.3-23.6000112.1N703D699-N703 VanDerWaalsContact O-CB 3.29Å; D699-N703 WeakPolarHBondContact O-CB 3.46Å; D699-N703 PolarHBondContact O-N 2.96Å; D699-N703 PolarHBondContact O-ND2 3.39Å; D699-N703 VanDerWaalsContact O-ND2 3.07Å
700K75.6Confident77.8Confident119 Ų11971.6 Ų71.652%0.51734%0.336SS..Hα-helixtrans-67.9-44.3176.6-66.5-179.3-178.4175.20112.5Q694 T698 N703 F704Q694-K700 HydrophobicContact CG-CB 4.13Å; T698-K700 PolarHBondContact O-N 3.41Å; K700-N703 PolarHBondContact O-N 2.87Å; K700-F704 WeakPolarHBondContact O-CB 3.35Å; K700-F704 PolarHBondContact O-N 3.1Å
701Y78.7Confident77Confident22 Ų2271.9 Ų71.99%0.08634%0.337CS..Hα-helixtrans-63.7-46175.5-177-90.2000110.5T692 Y695 V696 T698 N703 F704 Q705 V716T692-Y701 HydrophobicContact CG2-CD2 3.66Å; T692-Y701 HydrophobicContact CG2-CE2 3.77Å; Y695-Y701 WeakPolarHBondContact O-CB 3.42Å; V696-Y701 HydrophobicContact CG1-CE1 4.42Å; T698-Y701 WeakPolarHBondContact O-CA 3.22Å; T698-Y701 WeakPolarHBondContact O-CB 3.38Å; T698-Y701 PolarHBondContact O-N 3.3Å; T698-Y701 WeakPolarHBondContact OG1-CB 3.45Å; T698-Y701 PolarHBondContact OG1-N 3.15Å; Y701-N703 PolarHBondContact O-N 2.84Å; Y701-F704 PolarHBondContact O-N 3.07Å; Y701-Q705 VanDerWaalsContact CE1-OE1 3.31Å; Y701-Q705 WeakPolarHBondContact O-CB 3.4Å; Y701-Q705 PolarHBondContact O-N 3.39Å; Y701-V716 HydrophobicContact CE2-CG1 3.94Å; Y701-V716 PolarHBondContact OH-O 3.45Å
702E78.3Confident76Confident86 Ų8676.7 Ų76.740%0.40237%0.369SS..Hα-helixtrans-61.1-42.8177.3-71.1-166.6179.900112.6T698 F704 Q705 K706T698-E702 PolarHBondContact O-N 2.87Å; E702-F704 VanDerWaalsContact C-N 3.32Å; E702-F704 PolarHBondContact O-N 3.03Å; E702-Q705 PolarHBondContact O-N 3.42Å; E702-K706 WeakPolarHBondContact O-CB 3.24Å; E702-K706 VanDerWaalsContact O-CG 3.27Å; E702-K706 WeakPolarHBondContact O-CG 3.45Å; E702-K706 PolarHBondContact O-N 3.2Å; E702-K706 IonicContact OE2-NZ 3.78Å
703N78.4Confident75.3Confident86 Ų8678.1 Ų78.146%0.4638%0.376SS..Hα-helixtrans-64.9-38.6177-73.2-25.1000111.6D699 K700 Y701 K706 M707D699-N703 VanDerWaalsContact O-CB 3.29Å; D699-N703 WeakPolarHBondContact O-CB 3.46Å; D699-N703 PolarHBondContact O-N 2.96Å; D699-N703 PolarHBondContact O-ND2 3.39Å; D699-N703 VanDerWaalsContact O-ND2 3.07Å; K700-N703 PolarHBondContact O-N 2.87Å; Y701-N703 PolarHBondContact O-N 2.84Å; N703-K706 PolarHBondContact O-N 3.23Å; N703-M707 WeakPolarHBondContact O-CG 3.44Å; N703-M707 PolarHBondContact O-N 2.88Å
704F78.8Confident75.2Confident2 Ų279.2 Ų79.21%0.00939%0.385CS..Hα-helixtrans-70.8-39.3178.1-165.1-154.8000112Y666 I669 I670 I690 K700 Y701 E702 M707 A708 V716Y666-F704 AromaticContact CD1-CD1 3.98Å; Y666-F704 HydrophobicContact CD1-CD1 3.98Å; Y666-F704 AromaticContact CD1-CD2 3.56Å; Y666-F704 HydrophobicContact CD1-CD2 3.56Å; Y666-F704 AromaticContact CD1-CE1 3.83Å; Y666-F704 HydrophobicContact CD1-CE1 3.83Å; Y666-F704 AromaticContact CD1-CE2 3.42Å; Y666-F704 HydrophobicContact CD1-CE2 3.42Å; Y666-F704 VanDerWaalsContact CD1-CE2 3.42Å; Y666-F704 AromaticContact CD1-CG 3.84Å; Y666-F704 HydrophobicContact CD1-CG 3.84Å; Y666-F704 AromaticContact CD1-CZ 3.55Å; Y666-F704 HydrophobicContact CD1-CZ 3.55Å; Y666-F704 HydrophobicContact CE1-CD1 4.04Å; Y666-F704 HydrophobicContact CE1-CD2 4.32Å; Y666-F704 HydrophobicContact CE1-CE1 4.08Å; Y666-F704 HydrophobicContact CE1-CE2 4.4Å; Y666-F704 HydrophobicContact CE1-CG 4.15Å; Y666-F704 HydrophobicContact CE1-CZ 4.27Å; Y666-F704 AromaticContact CG-CD2 3.98Å; Y666-F704 HydrophobicContact CG-CD2 3.98Å; Y666-F704 AromaticContact CG-CE2 3.97Å; Y666-F704 HydrophobicContact CG-CE2 3.97Å; Y666-F704 HydrophobicContact CG-CZ 4.49Å; I669-F704 HydrophobicContact CB-CZ 4.32Å; I669-F704 HydrophobicContact CD1-CZ 4.19Å; I669-F704 HydrophobicContact CG2-CE2 4.44Å; I669-F704 HydrophobicContact CG2-CZ 3.81Å; I670-F704 HydrophobicContact CD1-CE2 4.35Å; I670-F704 HydrophobicContact CG1-CE2 4.37Å; I690-F704 HydrophobicContact CG2-CD1 4.29Å; I690-F704 HydrophobicContact CG2-CE1 3.29Å; I690-F704 HydrophobicContact CG2-CE2 4.43Å; I690-F704 HydrophobicContact CG2-CZ 3.38Å; K700-F704 WeakPolarHBondContact O-CB 3.35Å; K700-F704 PolarHBondContact O-N 3.1Å; Y701-F704 PolarHBondContact O-N 3.07Å; E702-F704 VanDerWaalsContact C-N 3.32Å; E702-F704 PolarHBondContact O-N 3.03Å; F704-M707 HydrophobicContact CD2-CE 4.23Å; F704-M707 PolarHBondContact O-N 3.22Å; F704-A708 WeakPolarHBondContact O-CB 3.5Å; F704-A708 PolarHBondContact O-N 2.86Å; F704-V716 HydrophobicContact CD1-CG1 4.15Å
705Q81.5Confident75.4Confident92 Ų9280.8 Ų80.843%0.4340%0.396SS..Hα-helixtrans-59.8-47172.1-170.7174.7-3.400111.1Y701 E702 M707 A708 E709Y701-Q705 VanDerWaalsContact CE1-OE1 3.31Å; Y701-Q705 WeakPolarHBondContact O-CB 3.4Å; Y701-Q705 PolarHBondContact O-N 3.39Å; E702-Q705 PolarHBondContact O-N 3.42Å; Q705-M707 VanDerWaalsContact C-N 3.31Å; Q705-M707 PolarHBondContact O-N 2.83Å; Q705-A708 CarbonylContact O-C 3.5Å; Q705-A708 PolarHBondContact O-N 3.47Å; Q705-E709 PolarHBondContact O-N 2.92Å
706K81.6Confident76.1Confident113 Ų11374.4 Ų74.449%0.49137%0.373SS..Hα-helixtrans-58.9-39.1174.6-75.4169.5-172.4160.10112.8E702 N703 A708E702-K706 WeakPolarHBondContact O-CB 3.24Å; E702-K706 VanDerWaalsContact O-CG 3.27Å; E702-K706 WeakPolarHBondContact O-CG 3.45Å; E702-K706 PolarHBondContact O-N 3.2Å; E702-K706 IonicContact OE2-NZ 3.78Å; N703-K706 PolarHBondContact O-N 3.23Å; K706-A708 VanDerWaalsContact C-N 3.34Å
707M75.9Confident77.3Confident62 Ų6272.4 Ų72.431%0.30536%0.361SS..Hα-helixtrans-68.3-34.3175.4-72-173-81.400112.1Y666 I670 N703 F704 Q705Y666-M707 HydrophobicContact CD2-CE 4.3Å; Y666-M707 HydrophobicContact CG-CE 4.26Å; I670-M707 HydrophobicContact CD1-CB 3.49Å; I670-M707 VanDerWaalsContact CD1-CB 3.49Å; N703-M707 WeakPolarHBondContact O-CG 3.44Å; N703-M707 PolarHBondContact O-N 2.88Å; F704-M707 HydrophobicContact CD2-CE 4.23Å; F704-M707 PolarHBondContact O-N 3.22Å; Q705-M707 VanDerWaalsContact C-N 3.31Å; Q705-M707 PolarHBondContact O-N 2.83Å
708A77.8Confident78.2Confident8 Ų866.1 Ų66.17%0.06633%0.328CS..Hα-helixtrans-83.3-9.6179.300000114.6I690 F704 Q705 K706 R710 L711 V716I690-A708 HydrophobicContact CD1-CB 4.14Å; F704-A708 WeakPolarHBondContact O-CB 3.5Å; F704-A708 PolarHBondContact O-N 2.86Å; Q705-A708 CarbonylContact O-C 3.5Å; Q705-A708 PolarHBondContact O-N 3.47Å; K706-A708 VanDerWaalsContact C-N 3.34Å; A708-R710 PolarHBondContact O-N 2.98Å; A708-L711 HydrophobicContact CB-CD1 4.31Å; A708-L711 WeakPolarHBondContact O-CB 3.09Å; A708-L711 PolarHBondContact O-N 3.34Å; A708-V716 HydrophobicContact CB-CG2 3.37Å
709E74.8Confident78.6Confident145 Ų14564 Ų6468%0.67832%0.315SS*.THydrogen-bonded Turntrans-53.7-19.9177.4-80.7173.2-167.500113.8Q705 L711Q705-E709 PolarHBondContact O-N 2.92Å; E709-L711 VanDerWaalsContact C-N 3.3Å
710R69.5Low78.5Confident222 Ų22263.9 Ų63.984%0.83831%0.305SS*.THydrogen-bonded Turntrans-80.2-5176.9-62.7-178.8178.4178.2-0.1114.2A708 P712A708-R710 PolarHBondContact O-N 2.98Å; R710-P712 VanDerWaalsContact O-CD 3.23Å; R710-P712 WeakPolarHBondContact O-CD 3.42Å
711L73.9Confident78.8Confident6 Ų665.5 Ų65.53%0.03131%0.308CS..  trans-103.893.2-177.3-61.8169.1000109.9I670 C673 C674 I690 A708 E709 N713 A714I670-L711 HydrophobicContact CG1-CD1 4.48Å; I670-L711 HydrophobicContact CG2-CD1 4.27Å; I670-L711 HydrophobicContact CG2-CD2 4.5Å; C673-L711 HydrophobicContact CB-CD1 3.61Å; C673-L711 HydrophobicContact CB-CD2 4.04Å; C673-L711 HydrophobicContact CB-CG 4.46Å; C674-L711 HydrophobicContact CB-CD2 4.4Å; C674-L711 WeakPolarHBondContact SG-CD2 3.35Å; I690-L711 HydrophobicContact CD1-CD1 3.8Å; A708-L711 HydrophobicContact CB-CD1 4.31Å; A708-L711 WeakPolarHBondContact O-CB 3.09Å; A708-L711 PolarHBondContact O-N 3.34Å; E709-L711 VanDerWaalsContact C-N 3.3Å; L711-N713 PolarHBondContact O-N 2.81Å; L711-N713 VanDerWaalsContact O-N 3.15Å; L711-A714 HydrophobicContact CB-CB 3.72Å; L711-A714 HydrophobicContact CD1-CB 4.04Å; L711-A714 HydrophobicContact CG-CB 4.49Å; L711-A714 PolarHBondContact O-N 2.8Å
712P69Low79.2Confident101 Ų10164.9 Ų64.966%0.65631%0.306SS*.THydrogen-bonded Turntrans-61-28-17522.9-33.9000113.7R710R710-P712 VanDerWaalsContact O-CD 3.23Å; R710-P712 WeakPolarHBondContact O-CD 3.42Å
713N73.5Confident79Confident29 Ų2961.8 Ų61.816%0.15529%0.291CS..THydrogen-bonded Turntrans-109.522.7-174.9-62.5-15.7000113.3S681 N687 A688 L711S681-N713 PolarHBondContact OG-ND2 3.05Å; N687-N713 PolarHBondContact N-O 3.37Å; A688-N713 PolarHBondContact N-O 3.05Å; L711-N713 PolarHBondContact O-N 2.81Å; L711-N713 VanDerWaalsContact O-N 3.15Å
714A78.8Confident78.8Confident23 Ų2360.3 Ų60.319%0.1928%0.282CS..EExtended strand (participates in β ladder)trans-127.4142.9177.100000112.8A688 L711A688-A714 HydrophobicContact CB-CB 4.14Å; A688-A714 CarbonylContact O-C 3.39Å; A688-A714 WeakPolarHBondContact O-CA 3.37Å; L711-A714 HydrophobicContact CB-CB 3.72Å; L711-A714 HydrophobicContact CD1-CB 4.04Å; L711-A714 HydrophobicContact CG-CB 4.49Å; L711-A714 PolarHBondContact O-N 2.8Å
715V85.5Confident78.8Confident59 Ų5962.2 Ų62.236%0.35829%0.292SS..EExtended strand (participates in β ladder)trans-114132.917565.30000110.9P577 A688 A689 I690P577-V715 HydrophobicContact CG-CG1 4.36Å; A688-V715 PolarHBondContact O-N 3.43Å; A689-V715 CarbonylContact C-O 3.52Å; A689-V715 WeakPolarHBondContact CA-O 3.37Å; A689-V715 HydrophobicContact CB-CG1 3.86Å; I690-V715 PolarHBondContact N-O 3.01Å
716V86.3Confident78.6Confident15 Ų1558.6 Ų58.69%0.09128%0.275CS..EExtended strand (participates in β ladder)trans-92.4121.9170.6-176.70000108.9I690 T692 Y701 F704 A708I690-V716 HydrophobicContact CB-CG2 4.12Å; I690-V716 HydrophobicContact CD1-CG2 4.11Å; I690-V716 HydrophobicContact CG2-CG1 4.48Å; I690-V716 HydrophobicContact CG2-CG2 4.38Å; I690-V716 WeakPolarHBondContact O-CA 3.48Å; T692-V716 HydrophobicContact CG2-CG1 4.32Å; Y701-V716 HydrophobicContact CE2-CG1 3.94Å; Y701-V716 PolarHBondContact OH-O 3.45Å; F704-V716 HydrophobicContact CD1-CG1 4.15Å; A708-V716 HydrophobicContact CB-CG2 3.37Å
717C86.3Confident77.8Confident15 Ų1556.3 Ų56.310%0.10127%0.265CS..EExtended strand (participates in β ladder)trans-143.3147.6-176.950.70000112.3I690 L691 T692 F722I690-C717 PolarHBondContact O-N 3.28Å; L691-C717 WeakPolarHBondContact CA-O 3.25Å; T692-C717 PolarHBondContact N-O 2.87Å; C717-F722 HydrophobicContact CB-CB 4.25Å; C717-F722 WeakPolarHBondContact SG-CD2 3.48Å
718N87.1Confident77.2Confident11 Ų1155.4 Ų55.46%0.05926%0.26CS..EExtended strand (participates in β ladder)trans-67.3135.7168.4178.8-87.5000109.4T692 Q694 Y720 R721 F722T692-N718 WeakPolarHBondContact O-CA 3.34Å; Q694-N718 PolarHBondContact O-ND2 2.9Å; N718-Y720 VanDerWaalsContact C-N 3.3Å; N718-Y720 PolarHBondContact O-N 3.45Å; N718-Y720 WeakPolarHBondContact OD1-CB 3.47Å; N718-Y720 PolarHBondContact OD1-N 3.4Å; N718-Y720 VanDerWaalsContact OD1-N 3.1Å; N718-R721 PolarHBondContact O-N 2.87Å; N718-R721 VanDerWaalsContact O-N 3.16Å; N718-F722 PolarHBondContact O-N 3.45Å
719V83Confident76.8Confident0 Ų055 Ų550%026%0.257CS..Hα-helixtrans-51.5-46.1-175.3175.90000112.3A586 Q590 L593 I594 M597 L691 T692 R721 F722 Y723A586-V719 HydrophobicContact CB-CG2 3.39Å; Q590-V719 HydrophobicContact CB-CB 4.17Å; Q590-V719 HydrophobicContact CB-CG1 3.73Å; Q590-V719 VanDerWaalsContact OE1-CB 3.26Å; L593-V719 HydrophobicContact CB-CG1 4.01Å; L593-V719 HydrophobicContact CD1-CG1 4.32Å; I594-V719 HydrophobicContact CD1-CG2 4.34Å; I594-V719 HydrophobicContact CG1-CG1 3.97Å; M597-V719 HydrophobicContact CE-CG1 4.39Å; L691-V719 HydrophobicContact CB-CG2 3.87Å; T692-V719 PolarHBondContact O-N 3.48Å; V719-R721 PolarHBondContact O-N 3.15Å; V719-F722 PolarHBondContact O-N 3.19Å; V719-Y723 WeakPolarHBondContact O-CB 3.27Å; V719-Y723 PolarHBondContact O-N 2.96Å
720Y75.3Confident76.1Confident125 Ų12548.7 Ų48.749%0.4923%0.228SC..Hα-helixtrans-65.2-43.1-176.4-179.7-98.7000111.9Q590 L593 N718 Y723 M724Q590-Y720 VanDerWaalsContact OE1-CB 3.31Å; L593-Y720 HydrophobicContact CD1-CD2 3.94Å; N718-Y720 VanDerWaalsContact C-N 3.3Å; N718-Y720 PolarHBondContact O-N 3.45Å; N718-Y720 WeakPolarHBondContact OD1-CB 3.47Å; N718-Y720 PolarHBondContact OD1-N 3.4Å; N718-Y720 VanDerWaalsContact OD1-N 3.1Å; Y720-Y723 PolarHBondContact O-N 2.81Å; Y720-M724 HydrophobicContact CD1-CG 4.33Å; Y720-M724 HydrophobicContact CD2-CE 4.22Å; Y720-M724 HydrophobicContact CE1-CE 4.44Å; Y720-M724 HydrophobicContact CE1-CG 3.98Å; Y720-M724 HydrophobicContact CE2-CE 3.44Å; Y720-M724 VanDerWaalsContact CE2-CE 3.44Å; Y720-M724 HydrophobicContact CE2-CG 4.44Å; Y720-M724 WeakPolarHBondContact O-CG 3.32Å; Y720-M724 PolarHBondContact O-N 3.06Å
721R81.1Confident75.5Confident154 Ų15438.6 Ų38.658%0.58119%0.191SC*.Hα-helixtrans-65.7-45.8-179.8-175.3173.1179.5162.1-1.2110.9N718 V719 Y723 M724 D725N718-R721 PolarHBondContact O-N 2.87Å; N718-R721 VanDerWaalsContact O-N 3.16Å; V719-R721 PolarHBondContact O-N 3.15Å; R721-Y723 VanDerWaalsContact C-N 3.33Å; R721-Y723 PolarHBondContact O-N 2.88Å; R721-M724 PolarHBondContact O-N 3.4Å; R721-D725 PolarHBondContact O-N 2.96Å; R721-D725 VanDerWaalsContact O-N 3.09Å
722F86.3Confident75Confident8 Ų841 Ų414%0.03520%0.2CC..Hα-helixtrans-59.4-46.2176-177.6-89.7000111.3M573 P577 L580 M597 H603 A689 L691 C717 N718 V719 M724 D725 W726M573-F722 HydrophobicContact CE-CE1 4.37Å; M573-F722 HydrophobicContact CE-CE2 3.89Å; M573-F722 HydrophobicContact CE-CZ 3.78Å; M573-F722 HydrophobicContact SD-CD2 4.21Å; M573-F722 HydrophobicContact SD-CE2 3.77Å; M573-F722 HydrophobicContact SD-CZ 4.29Å; P577-F722 HydrophobicContact CG-CE2 3.92Å; P577-F722 HydrophobicContact CG-CZ 4.31Å; L580-F722 HydrophobicContact CD2-CE1 3.68Å; L580-F722 HydrophobicContact CD2-CZ 3.67Å; M597-F722 HydrophobicContact CE-CD1 4.25Å; M597-F722 HydrophobicContact SD-CD1 3.37Å; M597-F722 WeakPolarHBondContact SD-CD1 3.39Å; M597-F722 HydrophobicContact SD-CE1 3.52Å; M597-F722 VanDerWaalsContact SD-CE1 3.52Å; H603-F722 AromaticContact CE1-CZ 4Å; A689-F722 HydrophobicContact CB-CD2 4.17Å; A689-F722 HydrophobicContact CB-CE2 3.67Å; A689-F722 HydrophobicContact CB-CZ 4.08Å; L691-F722 HydrophobicContact CD2-CB 4.04Å; L691-F722 HydrophobicContact CD2-CD1 3.99Å; L691-F722 HydrophobicContact CD2-CD2 4.42Å; L691-F722 HydrophobicContact CD2-CG 3.88Å; C717-F722 HydrophobicContact CB-CB 4.25Å; C717-F722 WeakPolarHBondContact SG-CD2 3.48Å; N718-F722 PolarHBondContact O-N 3.45Å; V719-F722 PolarHBondContact O-N 3.19Å; F722-M724 VanDerWaalsContact C-N 3.34Å; F722-M724 PolarHBondContact O-N 3.28Å; F722-D725 PolarHBondContact O-N 2.94Å; F722-W726 HydrophobicContact CE1-CB 4.41Å; F722-W726 VanDerWaalsContact O-CB 3.24Å; F722-W726 WeakPolarHBondContact O-CB 3.46Å; F722-W726 PolarHBondContact O-N 3.22Å
723Y75Confident74.6Confident21 Ų2138.8 Ų38.88%0.08218%0.18CC..Hα-helixtrans-57-45.6176.8174.9-85000112.3L593 E596 M597 V719 Y720 R721 W726 F727L593-Y723 HydrophobicContact CB-CD2 3.81Å; L593-Y723 HydrophobicContact CB-CE2 4.4Å; L593-Y723 HydrophobicContact CB-CG 4.14Å; L593-Y723 HydrophobicContact CD1-CG 4.22Å; L593-Y723 HydrophobicContact CD2-CD1 4.08Å; L593-Y723 HydrophobicContact CD2-CD2 3.94Å; L593-Y723 HydrophobicContact CD2-CE1 4.12Å; L593-Y723 HydrophobicContact CD2-CE2 3.93Å; L593-Y723 HydrophobicContact CD2-CG 4Å; L593-Y723 HydrophobicContact CG-CD2 4.34Å; L593-Y723 HydrophobicContact CG-CG 4.34Å; E596-Y723 HydrophobicContact CB-CE2 3.8Å; E596-Y723 HydrophobicContact CG-CE2 4.49Å; E596-Y723 PolarHBondContact OE1-OH 2.8Å; E596-Y723 WeakPolarHBondContact OE2-CE2 3.45Å; E596-Y723 PolarHBondContact OE2-OH 2.56Å; M597-Y723 HydrophobicContact CG-CD2 3.96Å; M597-Y723 HydrophobicContact SD-CD2 4.35Å; V719-Y723 WeakPolarHBondContact O-CB 3.27Å; V719-Y723 PolarHBondContact O-N 2.96Å; Y720-Y723 PolarHBondContact O-N 2.81Å; R721-Y723 VanDerWaalsContact C-N 3.33Å; R721-Y723 PolarHBondContact O-N 2.88Å; Y723-W726 AromaticContact CD2-CE3 3.95Å; Y723-W726 HydrophobicContact CD2-CE3 3.95Å; Y723-W726 HydrophobicContact CD2-CZ3 4.03Å; Y723-W726 HydrophobicContact CE2-CE3 4.05Å; Y723-W726 AromaticContact CE2-CZ3 3.69Å; Y723-W726 HydrophobicContact CE2-CZ3 3.69Å; Y723-W726 PolarHBondContact O-N 2.83Å; Y723-F727 HydrophobicContact CE1-CB 4.27Å; Y723-F727 VanDerWaalsContact O-CB 3.23Å; Y723-F727 WeakPolarHBondContact O-CB 3.28Å; Y723-F727 PolarHBondContact O-N 3.37Å
724M73.9Confident73.6Confident56 Ų5638.7 Ų38.728%0.27618%0.18SC..Hα-helixtrans-65.7-43.4-179-71.9-63.215800112Y720 R721 F722 F727 H728Y720-M724 HydrophobicContact CD1-CG 4.33Å; Y720-M724 HydrophobicContact CD2-CE 4.22Å; Y720-M724 HydrophobicContact CE1-CE 4.44Å; Y720-M724 HydrophobicContact CE1-CG 3.98Å; Y720-M724 HydrophobicContact CE2-CE 3.44Å; Y720-M724 VanDerWaalsContact CE2-CE 3.44Å; Y720-M724 HydrophobicContact CE2-CG 4.44Å; Y720-M724 WeakPolarHBondContact O-CG 3.32Å; Y720-M724 PolarHBondContact O-N 3.06Å; R721-M724 PolarHBondContact O-N 3.4Å; F722-M724 VanDerWaalsContact C-N 3.34Å; F722-M724 PolarHBondContact O-N 3.28Å; M724-F727 PolarHBondContact O-N 3.47Å; M724-H728 WeakPolarHBondContact O-CB 3.05Å; M724-H728 PolarHBondContact O-CD2 3.13Å; M724-H728 PolarHBondContact O-N 3.11Å
725D78.6Confident72.2Confident42 Ų4239.6 Ų39.623%0.22518%0.179CC..Hα-helixtrans-67.3-39.8177.2-70.4-30000111.2K568 P572 R721 F722 S729K568-D725 IonicContact NZ-OD1 2.76Å; P572-D725 HydrophobicContact CB-CB 4.31Å; P572-D725 WeakPolarHBondContact CG-O 3.36Å; R721-D725 PolarHBondContact O-N 2.96Å; R721-D725 VanDerWaalsContact O-N 3.09Å; F722-D725 PolarHBondContact O-N 2.94Å; D725-S729 VanDerWaalsContact O-CB 3.29Å; D725-S729 WeakPolarHBondContact O-CB 3.49Å; D725-S729 PolarHBondContact O-N 3.11Å
726W77.9Confident70.9Confident16 Ų1640.4 Ų40.46%0.06118%0.178CC..Hα-helixtrans-59.8-49.2171.7169.971.1000113.1M573 M597 S600 H603 F722 Y723 S729 T730M573-W726 HydrophobicContact CE-CB 3.6Å; M573-W726 HydrophobicContact CE-CG 4.27Å; M597-W726 HydrophobicContact CG-CD2 4.05Å; M597-W726 HydrophobicContact CG-CE3 3.71Å; M597-W726 HydrophobicContact CG-CZ3 3.97Å; S600-W726 VanDerWaalsContact OG-CZ2 3.26Å; S600-W726 WeakPolarHBondContact OG-CZ2 3.26Å; H603-W726 AromaticContact NE2-CD1 3.3Å; H603-W726 VanDerWaalsContact NE2-CD1 3.3Å; H603-W726 AromaticContact NE2-CE2 3.93Å; H603-W726 AromaticContact NE2-CG 3.97Å; H603-W726 AromaticContact NE2-NE1 3.24Å; H603-W726 PolarHBondContact NE2-NE1 3.04Å; F722-W726 HydrophobicContact CE1-CB 4.41Å; F722-W726 VanDerWaalsContact O-CB 3.24Å; F722-W726 WeakPolarHBondContact O-CB 3.46Å; F722-W726 PolarHBondContact O-N 3.22Å; Y723-W726 AromaticContact CD2-CE3 3.95Å; Y723-W726 HydrophobicContact CD2-CE3 3.95Å; Y723-W726 HydrophobicContact CD2-CZ3 4.03Å; Y723-W726 HydrophobicContact CE2-CE3 4.05Å; Y723-W726 AromaticContact CE2-CZ3 3.69Å; Y723-W726 HydrophobicContact CE2-CZ3 3.69Å; Y723-W726 PolarHBondContact O-N 2.83Å; W726-S729 PolarHBondContact O-N 3.37Å; W726-T730 PolarHBondContact NE1-OG1 2.81Å; W726-T730 WeakPolarHBondContact O-CB 3.28Å; W726-T730 PolarHBondContact O-N 3.15Å; W726-T730 PolarHBondContact O-OG1 2.92Å
727F64.1Low69.5Low64 Ų6446.2 Ų46.228%0.28121%0.205SC..Hα-helixtrans-60.8-48.3-179.8177.2-103.3000110.8Y723 M724 S729 T730 L731Y723-F727 HydrophobicContact CE1-CB 4.27Å; Y723-F727 VanDerWaalsContact O-CB 3.23Å; Y723-F727 WeakPolarHBondContact O-CB 3.28Å; Y723-F727 PolarHBondContact O-N 3.37Å; M724-F727 PolarHBondContact O-N 3.47Å; F727-S729 PolarHBondContact O-N 3.39Å; F727-T730 PolarHBondContact O-N 2.78Å; F727-L731 HydrophobicContact CD1-CD1 3.78Å; F727-L731 HydrophobicContact CD1-CG 4.45Å; F727-L731 HydrophobicContact CE1-CD1 3.27Å; F727-L731 HydrophobicContact CE1-CG 4.16Å; F727-L731 HydrophobicContact CE2-CD1 4.37Å; F727-L731 HydrophobicContact CE2-CG 4.48Å; F727-L731 HydrophobicContact CZ-CD1 3.61Å; F727-L731 HydrophobicContact CZ-CD2 4.44Å; F727-L731 HydrophobicContact CZ-CG 4.17Å; F727-L731 WeakPolarHBondContact O-CG 3.34Å; F727-L731 PolarHBondContact O-N 2.71Å
728H63.1Low67.3Low44 Ų4449.8 Ų49.820%0.20422%0.222CC..Hα-helixtrans-66.4-36.1177.4-77.4-65.3000113.1P572 M724 L731 Y732P572-H728 HydrophobicContact CG-CB 3.79Å; M724-H728 WeakPolarHBondContact O-CB 3.05Å; M724-H728 PolarHBondContact O-CD2 3.13Å; M724-H728 PolarHBondContact O-N 3.11Å; H728-L731 PolarHBondContact O-N 3.29Å; H728-Y732 VanDerWaalsContact O-CB 3.24Å; H728-Y732 WeakPolarHBondContact O-CB 3.49Å; H728-Y732 PolarHBondContact O-N 2.84Å
729S69.4Low65.7Low0 Ų050.3 Ų50.30%022%0.224CC..Hα-helixtrans-63.8-43.2172.9-178.20000111.4D571 M573 D725 W726 F727 Y732 K733D571-S729 WeakPolarHBondContact OD1-CA 3.45Å; D571-S729 WeakPolarHBondContact OD1-CB 3.5Å; D571-S729 PolarHBondContact OD1-OG 2.7Å; D571-S729 PolarHBondContact OD2-OG 2.7Å; M573-S729 PolarHBondContact O-OG 3.46Å; D725-S729 VanDerWaalsContact O-CB 3.29Å; D725-S729 WeakPolarHBondContact O-CB 3.49Å; D725-S729 PolarHBondContact O-N 3.11Å; W726-S729 PolarHBondContact O-N 3.37Å; F727-S729 PolarHBondContact O-N 3.39Å; S729-Y732 WeakPolarHBondContact O-CB 3.46Å; S729-Y732 PolarHBondContact O-N 3.4Å; S729-K733 WeakPolarHBondContact O-CB 3.44Å; S729-K733 WeakPolarHBondContact O-CG 3.17Å; S729-K733 PolarHBondContact O-N 2.99Å; S729-K733 WeakPolarHBondContact OG-CE 3.09Å; S729-K733 PolarHBondContact OG-NZ 3.2Å
730T60.5Low64.4Low12 Ų1251 Ų517%0.07423%0.232CC..Hα-helixtrans-64.3-43177.6-560000111.1W726 F727 T734W726-T730 PolarHBondContact NE1-OG1 2.81Å; W726-T730 WeakPolarHBondContact O-CB 3.28Å; W726-T730 PolarHBondContact O-N 3.15Å; W726-T730 PolarHBondContact O-OG1 2.92Å; F727-T730 PolarHBondContact O-N 2.78Å; T730-T734 VanDerWaalsContact O-CB 3.27Å; T730-T734 WeakPolarHBondContact O-CB 3.32Å; T730-T734 PolarHBondContact O-N 2.99Å; T730-T734 PolarHBondContact O-OG1 3.39Å
731L57.5Low62.9Low10 Ų1052.2 Ų52.25%0.05225%0.246CC..Hα-helixtrans-61.9-45.5172.7-73.3177.7000112L262 M563 I567 F727 H728 T734 Y735L262-L731 HydrophobicContact CD2-CD2 4.21Å; M563-L731 HydrophobicContact CE-CB 4.43Å; M563-L731 HydrophobicContact CE-CD2 3.65Å; M563-L731 HydrophobicContact SD-CD2 4.11Å; I567-L731 HydrophobicContact CG1-CB 4.45Å; F727-L731 HydrophobicContact CD1-CD1 3.78Å; F727-L731 HydrophobicContact CD1-CG 4.45Å; F727-L731 HydrophobicContact CE1-CD1 3.27Å; F727-L731 HydrophobicContact CE1-CG 4.16Å; F727-L731 HydrophobicContact CE2-CD1 4.37Å; F727-L731 HydrophobicContact CE2-CG 4.48Å; F727-L731 HydrophobicContact CZ-CD1 3.61Å; F727-L731 HydrophobicContact CZ-CD2 4.44Å; F727-L731 HydrophobicContact CZ-CG 4.17Å; F727-L731 WeakPolarHBondContact O-CG 3.34Å; F727-L731 PolarHBondContact O-N 2.71Å; H728-L731 PolarHBondContact O-N 3.29Å; L731-T734 PolarHBondContact O-N 3.13Å; L731-Y735 VanDerWaalsContact O-CB 3.31Å; L731-Y735 WeakPolarHBondContact O-CB 3.2Å; L731-Y735 PolarHBondContact O-N 3.27Å
732Y63.1Low61.1Low57 Ų5751.3 Ų51.322%0.22425%0.253CS..Hα-helixtrans-58.3-52.2177.4177.9-84.9000111I567 K568 D571 H728 S729 T734 Y735 H736I567-Y732 HydrophobicContact CG2-CD2 3.69Å; I567-Y732 HydrophobicContact CG2-CG 4.33Å; K568-Y732 WeakPolarHBondContact O-CD2 3.29Å; D571-Y732 HydrophobicContact CB-CD1 3.65Å; D571-Y732 HydrophobicContact CB-CE1 3.72Å; D571-Y732 HydrophobicContact CB-CG 4.18Å; H728-Y732 VanDerWaalsContact O-CB 3.24Å; H728-Y732 WeakPolarHBondContact O-CB 3.49Å; H728-Y732 PolarHBondContact O-N 2.84Å; S729-Y732 WeakPolarHBondContact O-CB 3.46Å; S729-Y732 PolarHBondContact O-N 3.4Å; Y732-T734 PolarHBondContact O-N 3.26Å; Y732-Y735 PolarHBondContact O-N 2.93Å; Y732-H736 AromaticContact CD1-CD2 3.89Å; Y732-H736 AromaticContact CD2-CD2 3.74Å; Y732-H736 AromaticContact CD2-NE2 3.87Å; Y732-H736 AromaticContact CE1-CD2 3.62Å; Y732-H736 AromaticContact CE2-CD2 3.49Å; Y732-H736 VanDerWaalsContact CE2-CD2 3.49Å; Y732-H736 WeakPolarHBondContact CE2-CD2 3.44Å; Y732-H736 AromaticContact CE2-NE2 3.35Å; Y732-H736 VanDerWaalsContact CE2-NE2 3.35Å; Y732-H736 WeakPolarHBondContact CE2-NE2 3.38Å; Y732-H736 AromaticContact CG-CD2 3.93Å; Y732-H736 AromaticContact CZ-CD2 3.42Å; Y732-H736 VanDerWaalsContact CZ-CD2 3.42Å; Y732-H736 AromaticContact CZ-NE2 3.56Å; Y732-H736 PolarHBondContact O-CD2 3.43Å; Y732-H736 VanDerWaalsContact O-CD2 3.28Å; Y732-H736 PolarHBondContact O-N 3.08Å
733K61.3Low58.9Low54 Ų5456.1 Ų56.124%0.23528%0.283CS..Hα-helixtrans-60.8-44.3178.4-72.1170.9179.3167.40111.3D571 M573 P574 S729 H736 Q737D571-K733 WeakPolarHBondContact OD2-CE 3.38Å; D571-K733 IonicContact OD2-NZ 3.91Å; M573-K733 PolarHBondContact O-NZ 2.83Å; P574-K733 PolarHBondContact O-NZ 3.03Å; S729-K733 WeakPolarHBondContact O-CB 3.44Å; S729-K733 WeakPolarHBondContact O-CG 3.17Å; S729-K733 PolarHBondContact O-N 2.99Å; S729-K733 WeakPolarHBondContact OG-CE 3.09Å; S729-K733 PolarHBondContact OG-NZ 3.2Å; K733-H736 PolarHBondContact O-N 3.43Å; K733-Q737 VanDerWaalsContact O-CB 3.27Å; K733-Q737 WeakPolarHBondContact O-CB 3.41Å; K733-Q737 WeakPolarHBondContact O-CG 3.38Å; K733-Q737 PolarHBondContact O-N 3.48Å; K733-Q737 PolarHBondContact O-OE1 3.32Å
734T50.6Low57.3Low27 Ų2764.3 Ų64.317%0.16632%0.319CS..Hα-helixtrans-62.7-46.5177.9-54.30000111.6R264 T730 L731 Y732 Q737 L738R264-T734 PolarHBondContact NE-OG1 3.09Å; R264-T734 PolarHBondContact NH2-OG1 2.84Å; T730-T734 VanDerWaalsContact O-CB 3.27Å; T730-T734 WeakPolarHBondContact O-CB 3.32Å; T730-T734 PolarHBondContact O-N 2.99Å; T730-T734 PolarHBondContact O-OG1 3.39Å; L731-T734 PolarHBondContact O-N 3.13Å; Y732-T734 PolarHBondContact O-N 3.26Å; T734-Q737 PolarHBondContact O-N 3Å; T734-L738 HydrophobicContact CG2-CD1 3.7Å; T734-L738 HydrophobicContact CG2-CG 4.35Å; T734-L738 WeakPolarHBondContact O-CB 3.45Å; T734-L738 VanDerWaalsContact O-CG 3.26Å; T734-L738 WeakPolarHBondContact O-CG 3.38Å; T734-L738 PolarHBondContact O-N 3.44Å
735Y49.9Very low55.3Low41 Ų4170 Ų7016%0.16135%0.345CS..Hα-helixtrans-63.7-46.2179.3177.7-93.8000111.8K560 M563 A564 I567 L731 Y732 Q737 L738 F739K560-Y735 HydrophobicContact CG-CE2 4.38Å; M563-Y735 HydrophobicContact CB-CD2 4.16Å; M563-Y735 HydrophobicContact CB-CE2 4.47Å; A564-Y735 HydrophobicContact CB-CE2 4.41Å; I567-Y735 HydrophobicContact CD1-CD1 3.78Å; I567-Y735 HydrophobicContact CD1-CD2 3.35Å; I567-Y735 HydrophobicContact CD1-CE1 4.46Å; I567-Y735 HydrophobicContact CD1-CE2 4.1Å; I567-Y735 HydrophobicContact CD1-CG 3.17Å; L731-Y735 VanDerWaalsContact O-CB 3.31Å; L731-Y735 WeakPolarHBondContact O-CB 3.2Å; L731-Y735 PolarHBondContact O-N 3.27Å; Y732-Y735 PolarHBondContact O-N 2.93Å; Y735-Q737 VanDerWaalsContact C-N 3.34Å; Y735-Q737 PolarHBondContact O-N 3.11Å; Y735-L738 PolarHBondContact O-N 3.03Å; Y735-F739 AromaticContact CD2-CD2 3.45Å; Y735-F739 HydrophobicContact CD2-CD2 3.45Å; Y735-F739 VanDerWaalsContact CD2-CD2 3.45Å; Y735-F739 AromaticContact CD2-CE2 3.94Å; Y735-F739 HydrophobicContact CD2-CE2 3.94Å; Y735-F739 HydrophobicContact CD2-CG 4.4Å; Y735-F739 AromaticContact CE2-CD2 3.76Å; Y735-F739 HydrophobicContact CE2-CD2 3.76Å; Y735-F739 HydrophobicContact CE2-CE2 4.34Å; Y735-F739 HydrophobicContact CE2-CG 4.34Å; Y735-F739 AromaticContact CG-CD2 3.97Å; Y735-F739 HydrophobicContact CG-CD2 3.97Å; Y735-F739 WeakPolarHBondContact O-CB 3.37Å; Y735-F739 VanDerWaalsContact O-CD2 3.24Å; Y735-F739 WeakPolarHBondContact O-CD2 3.24Å; Y735-F739 PolarHBondContact O-N 3.39Å
736H59.7Low53.2Low76 Ų7675.5 Ų75.535%0.35237%0.374SS..Hα-helixtrans-70.7-28178.4-76.7-71000113.1Y732 K733 G740Y732-H736 AromaticContact CD1-CD2 3.89Å; Y732-H736 AromaticContact CD2-CD2 3.74Å; Y732-H736 AromaticContact CD2-NE2 3.87Å; Y732-H736 AromaticContact CE1-CD2 3.62Å; Y732-H736 AromaticContact CE2-CD2 3.49Å; Y732-H736 VanDerWaalsContact CE2-CD2 3.49Å; Y732-H736 WeakPolarHBondContact CE2-CD2 3.44Å; Y732-H736 AromaticContact CE2-NE2 3.35Å; Y732-H736 VanDerWaalsContact CE2-NE2 3.35Å; Y732-H736 WeakPolarHBondContact CE2-NE2 3.38Å; Y732-H736 AromaticContact CG-CD2 3.93Å; Y732-H736 AromaticContact CZ-CD2 3.42Å; Y732-H736 VanDerWaalsContact CZ-CD2 3.42Å; Y732-H736 AromaticContact CZ-NE2 3.56Å; Y732-H736 PolarHBondContact O-CD2 3.43Å; Y732-H736 VanDerWaalsContact O-CD2 3.28Å; Y732-H736 PolarHBondContact O-N 3.08Å; K733-H736 PolarHBondContact O-N 3.43Å; H736-G740 WeakPolarHBondContact O-CA 3.38Å; H736-G740 PolarHBondContact O-N 3Å
737Q55.4Low51.1Low138 Ų13884.1 Ų84.165%0.64541%0.412SS*.Hα-helixtrans-69.4-38.7170.1-77.3171.7-28.500112.4K733 T734 Y735K733-Q737 VanDerWaalsContact O-CB 3.27Å; K733-Q737 WeakPolarHBondContact O-CB 3.41Å; K733-Q737 WeakPolarHBondContact O-CG 3.38Å; K733-Q737 PolarHBondContact O-N 3.48Å; K733-Q737 PolarHBondContact O-OE1 3.32Å; T734-Q737 PolarHBondContact O-N 3Å; Y735-Q737 VanDerWaalsContact C-N 3.34Å; Y735-Q737 PolarHBondContact O-N 3.11Å
738L41.5Very low49.7Very low90 Ų9087.3 Ų87.347%0.47144%0.437SS..Hα-helixtrans-85.4-22.2-176.6-68.7175.1000114.4R556 T734 Y735R556-L738 PolarHBondContact NH2-O 3.3Å; R556-L738 VanDerWaalsContact NH2-O 3.11Å; T734-L738 HydrophobicContact CG2-CD1 3.7Å; T734-L738 HydrophobicContact CG2-CG 4.35Å; T734-L738 WeakPolarHBondContact O-CB 3.45Å; T734-L738 VanDerWaalsContact O-CG 3.26Å; T734-L738 WeakPolarHBondContact O-CG 3.38Å; T734-L738 PolarHBondContact O-N 3.44Å; Y735-L738 PolarHBondContact O-N 3.03Å
739F53.3Low48.4Very low22 Ų2294.5 Ų94.510%0.09647%0.471CS..Hα-helixtrans-138-4.5-170.3-52.1-73000114.5R556 F559 K560 Y735 D741R556-F739 HydrophobicContact CG-CE1 3.95Å; F559-F739 HydrophobicContact CD1-CE2 4.27Å; F559-F739 AromaticContact CD1-CZ 3.92Å; F559-F739 HydrophobicContact CD1-CZ 3.92Å; F559-F739 HydrophobicContact CE1-CE2 4.28Å; F559-F739 HydrophobicContact CE1-CZ 4.29Å; K560-F739 HydrophobicContact CB-CE1 4.45Å; K560-F739 HydrophobicContact CD-CD1 4.33Å; K560-F739 HydrophobicContact CG-CD1 4.47Å; Y735-F739 AromaticContact CD2-CD2 3.45Å; Y735-F739 HydrophobicContact CD2-CD2 3.45Å; Y735-F739 VanDerWaalsContact CD2-CD2 3.45Å; Y735-F739 AromaticContact CD2-CE2 3.94Å; Y735-F739 HydrophobicContact CD2-CE2 3.94Å; Y735-F739 HydrophobicContact CD2-CG 4.4Å; Y735-F739 AromaticContact CE2-CD2 3.76Å; Y735-F739 HydrophobicContact CE2-CD2 3.76Å; Y735-F739 HydrophobicContact CE2-CE2 4.34Å; Y735-F739 HydrophobicContact CE2-CG 4.34Å; Y735-F739 AromaticContact CG-CD2 3.97Å; Y735-F739 HydrophobicContact CG-CD2 3.97Å; Y735-F739 WeakPolarHBondContact O-CB 3.37Å; Y735-F739 VanDerWaalsContact O-CD2 3.24Å; Y735-F739 WeakPolarHBondContact O-CD2 3.24Å; Y735-F739 PolarHBondContact O-N 3.39Å; F739-D741 PolarHBondContact O-N 3.09Å
740G54.3Low46.8Very low15 Ų15101.1 Ų101.116%0.15551%0.512CS..G310 helixtrans-77.1-14.5-167.400000116.4H736 D742H736-G740 WeakPolarHBondContact O-CA 3.38Å; H736-G740 PolarHBondContact O-N 3Å; G740-D742 PolarHBondContact O-N 3.47Å
741D45Very low45.7Very low149 Ų149108.3 Ų108.380%0.79755%0.55SS*.G310 helixtrans-75.6-21.3-177.6-77.4-22.4000113.9F739 T743F739-D741 PolarHBondContact O-N 3.09Å; D741-T743 VanDerWaalsContact C-N 3.29Å; D741-T743 PolarHBondContact O-N 3.42Å
742D42.6Very low44.7Very low136 Ų136121.5 Ų121.573%0.72761%0.607SS**G310 helixtrans-80.4-0.3-174.5-72.1-27.1000114.8G740G740-D742 PolarHBondContact O-N 3.47Å
743T41.1Very low43.8Very low109 Ų109124.7 Ų124.767%0.66963%0.626SS**G310 helixtrans-118.50.4-169.954.20000116.3D741D741-T743 VanDerWaalsContact C-N 3.29Å; D741-T743 PolarHBondContact O-N 3.42Å
744K39.6Very low42.9Very low192 Ų192128.4 Ų128.484%0.83565%0.646SS**SBendtrans-105.6-4.6179.6-78.1-174.9176.91770116.3
745E33.4Very low42.4Very low176 Ų176134.1 Ų134.182%0.82267%0.673SS**SBendtrans-99.73-178-75.8-167.2154.100117
746N33Very low42Very low157 Ų157139.5 Ų139.584%0.8470%0.703SS**SBendtrans-123.625.4-175.9-83.8-38.9000116.2
747K34.8Very low40.9Very low197 Ų197143.5 Ų143.586%0.85773%0.725SS**SBendtrans-133.150.4176.8-73.1-172.5178.8176.10113.9
748T34Very low39.9Very low131 Ų131143.9 Ų143.980%0.80473%0.73SS**SBendtrans-161.795.4160.922.40000107.8
749E35.5Very low39.8Very low195 Ų195147.7 Ų147.791%0.91175%0.749SS**  trans158.968.4154.2-88.6175.4-166.200109.7
750T36.1Very low38.8Very low140 Ų140157.4 Ų157.486%0.85980%0.799SS**  trans-133.477.2152.9290000107
751N37Very low37.5Very low163 Ų163169.3 Ų169.387%0.87285%0.853SS**  trans-154.869.4163.2-103.7-20.1000107.9
752K37.6Very low36.8Very low286 Ų286171.1 Ų171.1100%1.24386%0.858SS**  trans-175.90145.6-104.1173.8-174.5179.80110.2

Retrieved 752 of 752 residues in 795 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).