A0A077Z2U6_TRITR Loading...

Ras guanyl releasing protein 3

AlphaFold DB , UniProt , Accession A0A077Z2U6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 661 aa.

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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
1M32.7Very low47.5Very low133 Ų13367.4 Ų67.466%0.65539%0.387SS*.  0-39.60-116.3-177.4-103.600113.8W4 Y5M1-W4 HydrophobicContact CG-CE3 4.36Å; M1-W4 WeakPolarHBondContact O-CB 3.38Å; M1-W4 PolarHBondContact O-N 2.92Å; M1-Y5 PolarHBondContact O-N 3.17Å
2T34.7Very low49.3Very low74 Ų7470.7 Ų70.745%0.45440%0.402SS..Hα-helixtrans-64.1-53.1177.526.60000114.9W4 P392T2-W4 PolarHBondContact O-N 3.48Å; T2-P392 HydrophobicContact CG2-CB 3.78Å; T2-P392 HydrophobicContact CG2-CG 3.24Å
3D41.8Very low51.7Low103 Ų10367.5 Ų67.555%0.55138%0.381SS*.Hα-helixtrans-64.4-33.4176.3-105.318000111.1A6 K7D3-A6 PolarHBondContact O-N 3.2Å; D3-K7 HydrophobicContact CB-CD 4.2Å; D3-K7 WeakPolarHBondContact O-CB 3.44Å; D3-K7 WeakPolarHBondContact O-CG 3.44Å; D3-K7 PolarHBondContact O-N 2.78Å; D3-K7 WeakPolarHBondContact OD2-CE 3.49Å; D3-K7 IonicContact OD2-NZ 2.79Å; D3-K7 PolarHBondContact OD2-NZ 3.19Å
4W41.5Very low53.7Low30 Ų3076.5 Ų76.511%0.11441%0.406CS..Hα-helixtrans-62.3-47.9-175.9174.386.1000113M1 T2 A6 K7 C8 D73 I78 L117 I121 F387M1-W4 HydrophobicContact CG-CE3 4.36Å; M1-W4 WeakPolarHBondContact O-CB 3.38Å; M1-W4 PolarHBondContact O-N 2.92Å; T2-W4 PolarHBondContact O-N 3.48Å; W4-A6 PolarHBondContact O-N 3.22Å; W4-K7 PolarHBondContact O-N 3.02Å; W4-C8 PolarHBondContact O-N 3.32Å; W4-C8 VanDerWaalsContact O-N 3.1Å; W4-C8 PolarHBondContact O-SG 3.04Å; W4-C8 VanDerWaalsContact O-SG 3.33Å; W4-D73 PolarHBondContact NE1-OD2 3.19Å; W4-I78 HydrophobicContact CH2-CD1 3.88Å; W4-I78 HydrophobicContact CH2-CG1 4.21Å; W4-I78 HydrophobicContact CH2-CG2 4.02Å; W4-I78 HydrophobicContact CZ2-CD1 3.27Å; W4-I78 HydrophobicContact CZ2-CG1 3.7Å; W4-I78 HydrophobicContact CZ2-CG2 4.37Å; W4-L117 HydrophobicContact CZ2-CD1 4.22Å; W4-I121 HydrophobicContact CH2-CD1 4.43Å; W4-F387 AromaticContact CH2-CE1 3.99Å; W4-F387 HydrophobicContact CH2-CE1 3.99Å; W4-F387 HydrophobicContact CH2-CZ 4.33Å; W4-F387 HydrophobicContact CZ3-CD1 4.2Å; W4-F387 AromaticContact CZ3-CE1 3.94Å; W4-F387 HydrophobicContact CZ3-CE1 3.94Å
5Y43.8Very low55.6Low32 Ų3272.9 Ų72.913%0.12539%0.387CS..Hα-helixtrans-67.2-35.4-178.1-167.8-107000113.2M1 L10 S383 F387 Q391M1-Y5 PolarHBondContact O-N 3.17Å; Y5-L10 HydrophobicContact CD2-CD1 3.3Å; Y5-L10 HydrophobicContact CE2-CB 4.3Å; Y5-L10 HydrophobicContact CE2-CD1 3.37Å; Y5-L10 HydrophobicContact CE2-CG 4.45Å; Y5-L10 HydrophobicContact CG-CD1 4.27Å; Y5-S383 WeakPolarHBondContact OH-CB 3.46Å; Y5-S383 PolarHBondContact OH-O 2.95Å; Y5-F387 HydrophobicContact CD2-CB 3.48Å; Y5-F387 VanDerWaalsContact CD2-CB 3.48Å; Y5-F387 HydrophobicContact CD2-CD1 4.21Å; Y5-F387 HydrophobicContact CD2-CD2 4.05Å; Y5-F387 AromaticContact CD2-CG 3.69Å; Y5-F387 HydrophobicContact CD2-CG 3.69Å; Y5-F387 HydrophobicContact CE1-CB 4.12Å; Y5-F387 HydrophobicContact CE2-CB 3.03Å; Y5-F387 HydrophobicContact CE2-CD1 4.21Å; Y5-F387 AromaticContact CE2-CD2 3.28Å; Y5-F387 HydrophobicContact CE2-CD2 3.28Å; Y5-F387 HydrophobicContact CE2-CE2 4.21Å; Y5-F387 AromaticContact CE2-CG 3.28Å; Y5-F387 HydrophobicContact CE2-CG 3.28Å; Y5-F387 HydrophobicContact CG-CB 4.24Å; Y5-Q391 VanDerWaalsContact CD1-NE2 3.29Å; Y5-Q391 VanDerWaalsContact CG-NE2 3.3Å
6A47.3Very low57.2Low85 Ų8580.4 Ų80.470%0.70242%0.419SS*.Hα-helixtrans-76.8-31.3176.700000112.5D3 W4D3-A6 PolarHBondContact O-N 3.2Å; W4-A6 PolarHBondContact O-N 3.22Å
7K44.4Very low58.8Low104 Ų10479.9 Ų79.945%0.45241%0.414SS..Hα-helixtrans-75.3-33.2179.6-77.5175.2-178.2-175.90113.5D3 W4 D9D3-K7 HydrophobicContact CB-CD 4.2Å; D3-K7 WeakPolarHBondContact O-CB 3.44Å; D3-K7 WeakPolarHBondContact O-CG 3.44Å; D3-K7 PolarHBondContact O-N 2.78Å; D3-K7 WeakPolarHBondContact OD2-CE 3.49Å; D3-K7 IonicContact OD2-NZ 2.79Å; D3-K7 PolarHBondContact OD2-NZ 3.19Å; W4-K7 PolarHBondContact O-N 3.02Å; K7-D9 VanDerWaalsContact C-N 3.29Å; K7-D9 PolarHBondContact O-N 3.31Å
8C50.9Low60.3Low9 Ų985.9 Ų85.96%0.06144%0.437CS..THydrogen-bonded Turntrans-78.83.2-175.8-68.30000115.2W4 L10 D73 P75 I78W4-C8 PolarHBondContact O-N 3.32Å; W4-C8 VanDerWaalsContact O-N 3.1Å; W4-C8 PolarHBondContact O-SG 3.04Å; W4-C8 VanDerWaalsContact O-SG 3.33Å; C8-L10 HydrophobicContact CB-CD1 4.12Å; C8-L10 HydrophobicContact CB-CD2 4.02Å; C8-L10 HydrophobicContact CB-CG 3.74Å; C8-L10 PolarHBondContact O-N 2.8Å; C8-D73 PolarHBondContact SG-O 2.83Å; C8-P75 HydrophobicContact CB-CG 4.41Å; C8-P75 WeakPolarHBondContact O-CG 3.37Å; C8-I78 HydrophobicContact CB-CD1 4.38Å
9D59.6Low61.8Low90 Ų9083.8 Ų83.848%0.48143%0.431SS..THydrogen-bonded Turntrans40.441.7-176.7-16013.3000115K7 A11 N12 F13K7-D9 VanDerWaalsContact C-N 3.29Å; K7-D9 PolarHBondContact O-N 3.31Å; D9-A11 PolarHBondContact O-N 2.89Å; D9-A11 VanDerWaalsContact O-N 3.08Å; D9-N12 VanDerWaalsContact CG-ND2 3.29Å; D9-N12 PolarHBondContact O-N 3.07Å; D9-N12 PolarHBondContact OD1-ND2 2.89Å; D9-N12 PolarHBondContact OD2-ND2 2.89Å; D9-F13 PolarHBondContact O-N 2.7Å
10L64.8Low63.3Low3 Ų380.5 Ų80.52%0.01641%0.413CS..G310 helixtrans-62.2-23.6-172.4-65.6163.7000112.7Y5 C8 N12 F13 P75 I78 F379Y5-L10 HydrophobicContact CD2-CD1 3.3Å; Y5-L10 HydrophobicContact CE2-CB 4.3Å; Y5-L10 HydrophobicContact CE2-CD1 3.37Å; Y5-L10 HydrophobicContact CE2-CG 4.45Å; Y5-L10 HydrophobicContact CG-CD1 4.27Å; C8-L10 HydrophobicContact CB-CD1 4.12Å; C8-L10 HydrophobicContact CB-CD2 4.02Å; C8-L10 HydrophobicContact CB-CG 3.74Å; C8-L10 PolarHBondContact O-N 2.8Å; L10-N12 VanDerWaalsContact C-N 3.26Å; L10-N12 PolarHBondContact O-N 3.47Å; L10-F13 PolarHBondContact O-N 2.86Å; L10-P75 HydrophobicContact CD2-CB 3.79Å; L10-P75 HydrophobicContact CD2-CG 4.22Å; L10-I78 HydrophobicContact CD1-CD1 4.43Å; L10-I78 HydrophobicContact CD2-CB 4.21Å; L10-I78 HydrophobicContact CD2-CD1 3.84Å; L10-I78 HydrophobicContact CD2-CG2 4.18Å; L10-F379 HydrophobicContact CB-CE1 4.08Å; L10-F379 HydrophobicContact CB-CZ 4.31Å; L10-F379 HydrophobicContact CD2-CE1 3.95Å; L10-F379 HydrophobicContact CD2-CZ 3.79Å; L10-F379 HydrophobicContact CG-CZ 4.49Å
11A61.6Low64.7Low78 Ų7880.2 Ų80.265%0.64541%0.41SS*.G310 helixtrans-66.5-27.9177.300000112.9D9D9-A11 PolarHBondContact O-N 2.89Å; D9-A11 VanDerWaalsContact O-N 3.08Å
12N68.5Low67.6Low107 Ų10775.3 Ų75.357%0.57239%0.386SS*.G310 helixtrans-102.41.4-179.6-67-36.6000113.3D9 L10 R14D9-N12 VanDerWaalsContact CG-ND2 3.29Å; D9-N12 PolarHBondContact O-N 3.07Å; D9-N12 PolarHBondContact OD1-ND2 2.89Å; D9-N12 PolarHBondContact OD2-ND2 2.89Å; L10-N12 VanDerWaalsContact C-N 3.26Å; L10-N12 PolarHBondContact O-N 3.47Å; N12-R14 PolarHBondContact O-N 3.16Å
13F80.2Confident70.4Confident29 Ų2974.9 Ų74.913%0.12738%0.379CS..  trans-56.1128.6178172.5-104.5000111.1D9 L10 L15 P75 L76 A79 F375 T376 F379D9-F13 PolarHBondContact O-N 2.7Å; L10-F13 PolarHBondContact O-N 2.86Å; F13-L15 HydrophobicContact CE1-CG 4.41Å; F13-L15 HydrophobicContact CZ-CD2 4.09Å; F13-L15 HydrophobicContact CZ-CG 3.97Å; F13-P75 HydrophobicContact CB-CB 4.14Å; F13-P75 HydrophobicContact CD2-CB 3.56Å; F13-P75 HydrophobicContact CE2-CB 4.31Å; F13-P75 HydrophobicContact CG-CB 4.07Å; F13-L76 VanDerWaalsContact CE2-CA 3.49Å; F13-L76 HydrophobicContact CE2-CB 3.89Å; F13-L76 HydrophobicContact CE2-CD1 4.19Å; F13-L76 HydrophobicContact CZ-CB 4.24Å; F13-L76 HydrophobicContact CZ-CD1 3.77Å; F13-A79 HydrophobicContact CD1-CB 4.03Å; F13-A79 HydrophobicContact CE1-CB 3.59Å; F13-A79 HydrophobicContact CZ-CB 4.08Å; F13-F375 HydrophobicContact CE1-CD1 4.38Å; F13-F375 HydrophobicContact CE1-CE1 4.11Å; F13-T376 VanDerWaalsContact O-CG2 3.32Å; F13-T376 WeakPolarHBondContact O-CG2 3.37Å; F13-F379 HydrophobicContact CB-CD1 4.23Å; F13-F379 HydrophobicContact CB-CE1 4.18Å; F13-F379 AromaticContact CD1-CD1 3.56Å; F13-F379 HydrophobicContact CD1-CD1 3.56Å; F13-F379 HydrophobicContact CD1-CE1 4.09Å; F13-F379 HydrophobicContact CD1-CG 4.3Å; F13-F379 HydrophobicContact CE1-CD1 4.36Å; F13-F379 HydrophobicContact CG-CD1 4.23Å; F13-F379 HydrophobicContact CG-CE1 4.35Å
14R79.8Confident72.8Confident194 Ų19473.4 Ų73.473%0.73237%0.371SS*.  trans-142.7141.3172.6-57.6-169.4-179.5-168.70.7110.2N12 T376N12-R14 PolarHBondContact O-N 3.16Å; R14-T376 HydrophobicContact CB-CG2 4.09Å; R14-T376 HydrophobicContact CG-CG2 3.88Å
15L83.2Confident75.2Confident22 Ų2272 Ų7212%0.11537%0.366CS..  trans-81.6126.7164.4-75172.5000108.5F13 L76 C372 F375 T376F13-L15 HydrophobicContact CE1-CG 4.41Å; F13-L15 HydrophobicContact CZ-CD2 4.09Å; F13-L15 HydrophobicContact CZ-CG 3.97Å; L15-L76 HydrophobicContact CD2-CD1 3.59Å; L15-C372 HydrophobicContact CB-CB 3.81Å; L15-C372 HydrophobicContact CD1-CB 3.92Å; L15-F375 HydrophobicContact CD1-CB 4.23Å; L15-F375 HydrophobicContact CD1-CD1 3.56Å; L15-F375 HydrophobicContact CD1-CE1 4.14Å; L15-F375 HydrophobicContact CD1-CG 4Å; L15-F375 HydrophobicContact CG-CD1 4.45Å; L15-T376 PolarHBondContact N-OG1 2.95Å
16E81Confident77.5Confident194 Ų19470.6 Ų70.691%0.90736%0.36SS*.  trans-76.8-28.3179.2-64.6-172.7165.500112.2
17Q84.4Confident79.7Confident71 Ų7167.6 Ų67.633%0.33233%0.333SS..SBendtrans-68.6149.1176.2-54.192.1-15.300110.7L20 C372Q17-L20 HydrophobicContact CB-CD1 4.02Å; Q17-L20 HydrophobicContact CB-CG 3.97Å; Q17-L20 HydrophobicContact CG-CD1 4.05Å; Q17-L20 HydrophobicContact CG-CD2 4.26Å; Q17-L20 HydrophobicContact CG-CG 4.13Å; Q17-C372 WeakPolarHBondContact O-CB 3.16Å
18K84.9Confident82Confident189 Ų18965.4 Ų65.482%0.82232%0.324SS*.SBendtrans-75.2-41.5173.1-72.2-174.3177-179.40111.8C372K18-C372 WeakPolarHBondContact O-CB 3.28Å; K18-C372 PolarHBondContact O-N 2.94Å; K18-C372 VanDerWaalsContact O-N 3.15Å
19S89.8Confident83.9Confident46 Ų4665 Ų6532%0.32232%0.321SS..EExtended strand (participates in β ladder)trans-149.6150.6-177.654.70000110.5E369 I370S19-E369 WeakPolarHBondContact CB-OE2 3.36Å; S19-E369 PolarHBondContact OG-OE2 2.85Å; S19-I370 VanDerWaalsContact CA-O 3.23Å; S19-I370 WeakPolarHBondContact CA-O 3.19Å
20L91.3Very high85.3Confident16 Ų1660.7 Ų60.78%0.08430%0.298CS..EExtended strand (participates in β ladder)trans-148139.2-178.5-83.3162.7000110.3Q17 D24 Q28 E369 I370Q17-L20 HydrophobicContact CB-CD1 4.02Å; Q17-L20 HydrophobicContact CB-CG 3.97Å; Q17-L20 HydrophobicContact CG-CD1 4.05Å; Q17-L20 HydrophobicContact CG-CD2 4.26Å; Q17-L20 HydrophobicContact CG-CG 4.13Å; L20-D24 HydrophobicContact CD2-CB 4.02Å; L20-Q28 VanDerWaalsContact CD2-NE2 3.28Å; L20-E369 CarbonylContact O-C 3.47Å; L20-I370 PolarHBondContact N-O 2.89Å; L20-I370 WeakPolarHBondContact O-CB 3.45Å; L20-I370 PolarHBondContact O-N 3.44Å
21H92.9Very high86.5Confident75 Ų7565.3 Ų65.335%0.34732%0.32SS..  trans-67.9151.3166.2-69.4-70.8000111.1E23 D24 L25 D367 E369H21-E23 PolarHBondContact O-N 3.26Å; H21-D24 IonicContact CD2-OD2 2.86Å; H21-D24 PolarHBondContact O-N 3.11Å; H21-D24 VanDerWaalsContact O-N 3.08Å; H21-L25 PolarHBondContact O-N 3.23Å; H21-D367 PolarHBondContact CE1-O 3.29Å; H21-D367 VanDerWaalsContact CE1-O 3.26Å; H21-E369 IonicContact CD2-OE1 3.42Å; H21-E369 IonicContact NE2-OE1 3.58Å
22M93.6Very high87.6Confident30 Ų3062.2 Ų62.215%0.14829%0.294CS..Hα-helixtrans-56.2-37.7177.3-177.35972.300112.4D24 L25 V26 F80 Y87 I88 I370M22-D24 VanDerWaalsContact C-N 3.34Å; M22-D24 PolarHBondContact O-N 2.97Å; M22-L25 PolarHBondContact O-N 3.47Å; M22-V26 WeakPolarHBondContact O-CG2 3.36Å; M22-V26 PolarHBondContact O-N 3.17Å; M22-F80 HydrophobicContact SD-CE2 3.88Å; M22-F80 HydrophobicContact SD-CZ 4.4Å; M22-Y87 VanDerWaalsContact CE-CB 3.41Å; M22-Y87 HydrophobicContact CE-CG 4.37Å; M22-I88 HydrophobicContact CE-CB 3.87Å; M22-I88 HydrophobicContact CE-CG2 3.58Å; M22-I88 HydrophobicContact CG-CD1 4.02Å; M22-I88 HydrophobicContact SD-CG2 3.94Å; M22-I370 HydrophobicContact CB-CD1 4.24Å; M22-I370 HydrophobicContact CE-CD1 3.44Å; M22-I370 VanDerWaalsContact CE-CD1 3.44Å; M22-I370 HydrophobicContact CE-CG1 4.34Å; M22-I370 HydrophobicContact SD-CD1 3.97Å
23E92.6Very high88.3Confident66 Ų6657.3 Ų57.331%0.30827%0.267SS..Hα-helixtrans-64.9-38.3178.3-60.7-163.9179.100112.2H21 V26 D27 R99 R100H21-E23 PolarHBondContact O-N 3.26Å; E23-V26 PolarHBondContact O-N 3.49Å; E23-D27 WeakPolarHBondContact O-CB 3.28Å; E23-D27 PolarHBondContact O-N 3.47Å; E23-R99 IonicContact OE1-NH1 2.69Å; E23-R99 PolarHBondContact OE1-NH1 3.38Å; E23-R100 IonicContact OE2-NH1 3.31Å; E23-R100 PolarHBondContact OE2-NH1 2.81Å
24D92.6Very high88.2Confident71 Ų7159.6 Ų59.638%0.3829%0.286SS..Hα-helixtrans-70.7-37.6178.4-61-38.9000111.2L20 H21 M22 D27 Q28L20-D24 HydrophobicContact CD2-CB 4.02Å; H21-D24 IonicContact CD2-OD2 2.86Å; H21-D24 PolarHBondContact O-N 3.11Å; H21-D24 VanDerWaalsContact O-N 3.08Å; M22-D24 VanDerWaalsContact C-N 3.34Å; M22-D24 PolarHBondContact O-N 2.97Å; D24-D27 WeakPolarHBondContact O-CB 3.17Å; D24-D27 PolarHBondContact O-N 2.92Å; D24-Q28 WeakPolarHBondContact O-CG 3.28Å; D24-Q28 PolarHBondContact O-N 3.43Å
25L92.1Very high87.4Confident2 Ų254.7 Ų54.71%0.0128%0.281CS..Hα-helixtrans-63.3-45.1174.6-176.160.2000111.6H21 M22 D27 Q28 C29 L76 F80 I370 F375H21-L25 PolarHBondContact O-N 3.23Å; M22-L25 PolarHBondContact O-N 3.47Å; L25-D27 VanDerWaalsContact C-N 3.27Å; L25-D27 PolarHBondContact O-N 3.38Å; L25-Q28 PolarHBondContact O-N 2.7Å; L25-C29 PolarHBondContact O-N 2.85Å; L25-C29 PolarHBondContact O-SG 2.75Å; L25-C29 VanDerWaalsContact O-SG 3.35Å; L25-L76 HydrophobicContact CD1-CD1 3.83Å; L25-F80 HydrophobicContact CD2-CD2 3.68Å; L25-F80 HydrophobicContact CD2-CE2 3.91Å; L25-F80 HydrophobicContact CG-CD2 3.86Å; L25-F80 HydrophobicContact CG-CE2 4.07Å; L25-I370 HydrophobicContact CD2-CD1 3.84Å; L25-F375 HydrophobicContact CD2-CE2 4.05Å; L25-F375 HydrophobicContact CD2-CZ 4.42Å
26V93.2Very high86.2Confident1 Ų156.2 Ų56.21%0.00629%0.289CS..Hα-helixtrans-57.7-44.2173.3169.50000110.5M22 E23 C29 L30 F80 L93 V97 R100M22-V26 WeakPolarHBondContact O-CG2 3.36Å; M22-V26 PolarHBondContact O-N 3.17Å; E23-V26 PolarHBondContact O-N 3.49Å; V26-C29 PolarHBondContact O-N 2.82Å; V26-L30 HydrophobicContact CG1-CD1 3.93Å; V26-L30 HydrophobicContact CG1-CG 4.31Å; V26-L30 WeakPolarHBondContact O-CG 3.36Å; V26-L30 PolarHBondContact O-N 3.21Å; V26-F80 HydrophobicContact CG2-CE1 4.38Å; V26-F80 HydrophobicContact CG2-CE2 4.32Å; V26-F80 HydrophobicContact CG2-CZ 3.64Å; V26-L93 HydrophobicContact CG2-CD1 3.86Å; V26-V97 HydrophobicContact CG1-CG2 3.94Å; V26-R100 HydrophobicContact CG1-CG 4.16Å
27D92.8Very high84.5Confident22 Ų2249.5 Ų49.512%0.11827%0.272CS..Hα-helixtrans-63.8-41.1179.3-101.231.3000113.1E23 D24 L25 L30 Q31 R100 R107E23-D27 WeakPolarHBondContact O-CB 3.28Å; E23-D27 PolarHBondContact O-N 3.47Å; D24-D27 WeakPolarHBondContact O-CB 3.17Å; D24-D27 PolarHBondContact O-N 2.92Å; L25-D27 VanDerWaalsContact C-N 3.27Å; L25-D27 PolarHBondContact O-N 3.38Å; D27-L30 PolarHBondContact O-N 3.23Å; D27-Q31 VanDerWaalsContact O-CB 3.25Å; D27-Q31 WeakPolarHBondContact O-CB 3.35Å; D27-Q31 PolarHBondContact O-N 2.9Å; D27-R100 IonicContact OD1-CZ 3.95Å; D27-R100 IonicContact OD1-NE 2.72Å; D27-R100 PolarHBondContact OD1-NE 3.08Å; D27-R100 IonicContact OD1-NH2 2.81Å; D27-R100 PolarHBondContact OD1-NH2 2.9Å; D27-R100 IonicContact OD2-CZ 3.77Å; D27-R100 IonicContact OD2-NE 3.24Å; D27-R100 IonicContact OD2-NH2 2.75Å; D27-R100 PolarHBondContact OD2-NH2 3.23Å; D27-R107 IonicContact OD1-NH1 3.13Å; D27-R107 PolarHBondContact OD1-NH1 3.35Å; D27-R107 IonicContact OD2-CZ 3.81Å; D27-R107 IonicContact OD2-NH1 3.65Å; D27-R107 PolarHBondContact OD2-NH1 3.24Å; D27-R107 IonicContact OD2-NH2 3.79Å
28Q91.7Very high82.1Confident58 Ų5851.2 Ų51.227%0.27130%0.298SS..Hα-helixtrans-62.9-44.1174-72.4-178.732.400111.4L20 D24 L25 Q31 S32 L76L20-Q28 VanDerWaalsContact CD2-NE2 3.28Å; D24-Q28 WeakPolarHBondContact O-CG 3.28Å; D24-Q28 PolarHBondContact O-N 3.43Å; L25-Q28 PolarHBondContact O-N 2.7Å; Q28-Q31 PolarHBondContact O-N 3.36Å; Q28-S32 WeakPolarHBondContact O-CB 3.22Å; Q28-S32 PolarHBondContact O-N 3.22Å; Q28-L76 HydrophobicContact CB-CD2 3.96Å
29C90.7Very high79.8Confident0 Ų046.6 Ų46.60%029%0.29CS..Hα-helixtrans-61.5-46.1176.1-68.60000112.3L25 V26 Q31 S32 L33 V77L25-C29 PolarHBondContact O-N 2.85Å; L25-C29 PolarHBondContact O-SG 2.75Å; L25-C29 VanDerWaalsContact O-SG 3.35Å; V26-C29 PolarHBondContact O-N 2.82Å; C29-Q31 VanDerWaalsContact C-N 3.31Å; C29-Q31 PolarHBondContact O-N 2.96Å; C29-S32 PolarHBondContact O-N 2.96Å; C29-L33 WeakPolarHBondContact O-CG 3.46Å; C29-L33 PolarHBondContact O-N 3.43Å; C29-L33 VanDerWaalsContact O-N 3.09Å; C29-V77 HydrophobicContact CB-CG2 4.19Å
30L90.5Very high77.1Confident0 Ų049.2 Ų49.20%029%0.293CS..Hα-helixtrans-66.4-34.5178.8-68.3177.7000112.2V26 D27 C34 S110 V111 L114V26-L30 HydrophobicContact CG1-CD1 3.93Å; V26-L30 HydrophobicContact CG1-CG 4.31Å; V26-L30 WeakPolarHBondContact O-CG 3.36Å; V26-L30 PolarHBondContact O-N 3.21Å; D27-L30 PolarHBondContact O-N 3.23Å; L30-C34 PolarHBondContact O-N 3.12Å; L30-S110 WeakPolarHBondContact O-CB 3.05Å; L30-S110 PolarHBondContact O-OG 2.98Å; L30-V111 HydrophobicContact CD1-CG2 4.27Å; L30-V111 HydrophobicContact CD2-CB 4.47Å; L30-V111 HydrophobicContact CD2-CG2 3.73Å; L30-L114 HydrophobicContact CD2-CD2 4.24Å
31Q89.6Confident74.1Confident100 Ų10056.8 Ų56.847%0.46733%0.325SS..Hα-helixtrans-66.4-46.5175.3-172.362.736.800111.2D27 Q28 C29 L33 C34 S35D27-Q31 VanDerWaalsContact O-CB 3.25Å; D27-Q31 WeakPolarHBondContact O-CB 3.35Å; D27-Q31 PolarHBondContact O-N 2.9Å; Q28-Q31 PolarHBondContact O-N 3.36Å; C29-Q31 VanDerWaalsContact C-N 3.31Å; C29-Q31 PolarHBondContact O-N 2.96Å; Q31-L33 VanDerWaalsContact C-N 3.32Å; Q31-L33 PolarHBondContact O-N 2.95Å; Q31-C34 WeakPolarHBondContact O-CA 3.5Å; Q31-C34 VanDerWaalsContact O-CB 3.23Å; Q31-C34 WeakPolarHBondContact O-CB 3.33Å; Q31-C34 PolarHBondContact O-N 2.81Å; Q31-S35 PolarHBondContact O-N 2.95Å; Q31-S35 PolarHBondContact O-OG 3.06Å
32S85.5Confident71Confident14 Ų1457 Ų5710%0.09834%0.34CS..Hα-helixtrans-57.6-44.4176.81690000112.2Q28 C29 C34 S35 D74Q28-S32 WeakPolarHBondContact O-CB 3.22Å; Q28-S32 PolarHBondContact O-N 3.22Å; C29-S32 PolarHBondContact O-N 2.96Å; S32-C34 PolarHBondContact O-N 2.57Å; S32-S35 WeakPolarHBondContact CA-OG 3.29Å; S32-S35 PolarHBondContact O-N 3.01Å; S32-S35 PolarHBondContact O-OG 3.05Å; S32-D74 VanDerWaalsContact CB-OD2 3.25Å; S32-D74 WeakPolarHBondContact CB-OD2 3.12Å; S32-D74 WeakPolarHBondContact OG-CB 3.36Å; S32-D74 PolarHBondContact OG-OD2 3.33Å
33L82.3Confident67.8Low4 Ų461.7 Ų61.72%0.02136%0.357CS..Hα-helixtrans-66.2-20.2176.4-70.8172.7000113.8C29 Q31 V77 S110 R113 L114C29-L33 WeakPolarHBondContact O-CG 3.46Å; C29-L33 PolarHBondContact O-N 3.43Å; C29-L33 VanDerWaalsContact O-N 3.09Å; Q31-L33 VanDerWaalsContact C-N 3.32Å; Q31-L33 PolarHBondContact O-N 2.95Å; L33-V77 HydrophobicContact CD1-CG1 3.9Å; L33-V77 HydrophobicContact CD1-CG2 4.47Å; L33-V77 HydrophobicContact CD2-CG1 4.19Å; L33-V77 HydrophobicContact CD2-CG2 4.23Å; L33-V77 HydrophobicContact CG-CG1 4.16Å; L33-V77 HydrophobicContact CG-CG2 3.97Å; L33-S110 WeakPolarHBondContact CD1-O 3.43Å; L33-R113 HydrophobicContact CD1-CB 4.29Å; L33-R113 HydrophobicContact CD2-CB 4.17Å; L33-R113 PolarHBondContact O-NH1 3.44Å; L33-L114 HydrophobicContact CD1-CB 3.67Å; L33-L114 HydrophobicContact CD1-CD1 4.4Å
34C78.1Confident64.5Low76 Ų7663.1 Ų63.151%0.51437%0.374SS..Hα-helixtrans-79.1-35.1175.7-165.50000111.9L30 Q31 S32 I36 S110L30-C34 PolarHBondContact O-N 3.12Å; Q31-C34 WeakPolarHBondContact O-CA 3.5Å; Q31-C34 VanDerWaalsContact O-CB 3.23Å; Q31-C34 WeakPolarHBondContact O-CB 3.33Å; Q31-C34 PolarHBondContact O-N 2.81Å; S32-C34 PolarHBondContact O-N 2.57Å; C34-I36 VanDerWaalsContact C-N 3.31Å; C34-I36 PolarHBondContact O-N 3.43Å; C34-S110 WeakPolarHBondContact CA-OG 3.38Å; C34-S110 WeakPolarHBondContact CB-OG 3.35Å; C34-S110 PolarHBondContact N-OG 3.5Å
35S63.2Low61.4Low91 Ų9163.6 Ų63.664%0.63638%0.377SS*.Hα-helixtrans-72-21.2-179.231.30000114.2Q31 S32 G37Q31-S35 PolarHBondContact O-N 2.95Å; Q31-S35 PolarHBondContact O-OG 3.06Å; S32-S35 WeakPolarHBondContact CA-OG 3.29Å; S32-S35 PolarHBondContact O-N 3.01Å; S32-S35 PolarHBondContact O-OG 3.05Å; S35-G37 PolarHBondContact O-N 3.07Å
36I57.5Low58.2Low55 Ų5572.7 Ų72.728%0.28242%0.419SS..SBendtrans-74.8110.8174.7-58.7166000107.2C34 N72 R113C34-I36 VanDerWaalsContact C-N 3.31Å; C34-I36 PolarHBondContact O-N 3.43Å; I36-N72 WeakPolarHBondContact CD1-O 3.28Å; I36-R113 PolarHBondContact O-NH1 3.07Å; I36-R113 PolarHBondContact O-NH2 2.93Å
37G44.6Very low55.1Low53 Ų5378.3 Ų78.355%0.54645%0.448SS..  trans-52.8166.4-166.600000117.7S35 S39 R113S35-G37 PolarHBondContact O-N 3.07Å; G37-S39 PolarHBondContact O-N 2.73Å; G37-R113 PolarHBondContact O-NH2 2.85Å; G37-R113 VanDerWaalsContact O-NH2 3.16Å
38A34.9Very low51.9Low106 Ų10680.5 Ų80.588%0.87648%0.475SS*.SBendtrans-67.136.9-173.400000116.5Y40A38-Y40 VanDerWaalsContact C-N 3.34Å; A38-Y40 PolarHBondContact O-N 3.08Å
39S35.6Very low48.7Very low93 Ų9389 Ų8965%0.6551%0.506SS*.  trans-87.88.3-179.4103.20000115G37 K41G37-S39 PolarHBondContact O-N 2.73Å; S39-K41 VanDerWaalsContact C-N 3.3Å; S39-K41 PolarHBondContact O-N 3.33Å
40Y33.6Very low45.6Very low100 Ų10092.6 Ų92.639%0.39254%0.544SS..  trans-77.186.4168.8-89.2-90.5000108.7A38 A42A38-Y40 VanDerWaalsContact C-N 3.34Å; A38-Y40 PolarHBondContact O-N 3.08Å; Y40-A42 PolarHBondContact O-N 2.82Å
41K28.3Very low42.5Very low175 Ų17597.8 Ų97.876%0.76158%0.58SS**  trans-51.8125.2155.9-85.7-178.1176.3176.70106.4S39 Y43S39-K41 VanDerWaalsContact C-N 3.3Å; S39-K41 PolarHBondContact O-N 3.33Å; K41-Y43 WeakPolarHBondContact O-CD2 3.41Å; K41-Y43 PolarHBondContact O-N 2.92Å
42A27.2Very low39.7Very low79 Ų7997.6 Ų97.665%0.65360%0.596SS**  trans-54.1101.1176.300000108.7Y40 S44Y40-A42 PolarHBondContact O-N 2.82Å; A42-S44 PolarHBondContact O-N 3.16Å
43Y27.4Very low36.9Very low130 Ų130104.5 Ų104.551%0.5163%0.63SS.*  trans-73.3102.1170.2-74.3-81.1000106.3K41 L45 S153K41-Y43 WeakPolarHBondContact O-CD2 3.41Å; K41-Y43 PolarHBondContact O-N 2.92Å; Y43-L45 PolarHBondContact O-N 3.48Å; Y43-S153 PolarHBondContact O-OG 3.46Å
44S24.2Very low34.2Very low96 Ų96111.6 Ų111.667%0.67167%0.668SS**  trans-64.9123.3168.474.40000108.2A42 S153A42-S44 PolarHBondContact O-N 3.16Å; S44-S153 WeakPolarHBondContact CA-OG 3.45Å
45L26.9Very low31.9Very low81 Ų81117.3 Ų117.342%0.42469%0.685SS.*  trans-128.9123149.3-90.6100.6000105.2Y43 S155 S157Y43-L45 PolarHBondContact O-N 3.48Å; L45-S155 WeakPolarHBondContact CB-OG 3.5Å; L45-S155 WeakPolarHBondContact O-CB 3.3Å; L45-S157 VanDerWaalsContact CD1-OG 3.28Å; L45-S157 WeakPolarHBondContact CD1-OG 3.27Å
46Q24.3Very low30.1Very low192 Ų192122.8 Ų122.890%0.89770%0.697SS**  trans-76.1132.9170.7-74.6178-44.600108.7
47I28.6Very low28.6Very low120 Ų120128.8 Ų128.862%0.61572%0.717SS**  trans-117.799.9159.4-59.4177.1000105.7
48G24.9Very low27.5Very low67 Ų67133.7 Ų133.769%0.69173%0.726SS**  trans-68.2133.1166.400000109.6G50G48-G50 PolarHBondContact O-N 3.14Å; G48-G50 VanDerWaalsContact O-N 3.09Å
49Y24.9Very low27Very low236 Ų236135 Ų13593%0.92572%0.723SS**  trans-68.5100.9164.2-77.9-89.5000108S51Y49-S51 PolarHBondContact O-N 3.48Å
50G26.2Very low26.5Very low76 Ų76139.7 Ų139.778%0.78473%0.728SS**  trans-79.2101.8168.500000109.4G48G48-G50 PolarHBondContact O-N 3.14Å; G48-G50 VanDerWaalsContact O-N 3.09Å
51S25.8Very low26Very low110 Ų110143.7 Ų143.777%0.76975%0.75SS**  trans-56.4138.8163.251.40000109.5Y49 L53Y49-S51 PolarHBondContact O-N 3.48Å; S51-L53 PolarHBondContact O-N 3.5Å
52A29.3Very low26Very low96 Ų96141.4 Ų141.479%0.79375%0.745SS**SBendtrans-56.5107.4176.800000110.5
53L27.3Very low25.8Very low158 Ų158142.3 Ų142.383%0.82775%0.747SS**SBendtrans162.6128.9146-85.5150.2000107.8S51S51-L53 PolarHBondContact O-N 3.5Å
54D25.7Very low25.7Very low153 Ų153141.4 Ų141.482%0.81876%0.759SS**  trans78.5109.9170.7-65.7-30000121.8
55K29.7Very low25.8Very low196 Ų196142.1 Ų142.185%0.85276%0.755SS**  trans-17.6117.2158.6-64.6168.9178.51720116.4
56K25.6Very low25.8Very low206 Ų206145.1 Ų145.190%0.89677%0.767SS**  trans-167.7120.4133-101.9172.3-173.1-175.40108.4
57Y25Very low26Very low181 Ų181141.3 Ų141.371%0.7176%0.759SS**  trans-114.5119.3166.7-69.7-74.8000108Y207Y57-Y207 PolarHBondContact OH-OH 3.32Å
58E22.8Very low25.9Very low156 Ų156140.5 Ų140.573%0.72976%0.759SS**  trans-93122.4157.4-78.3-179.8162.400107.9Y60E58-Y60 HydrophobicContact CB-CE2 4.08Å; E58-Y60 PolarHBondContact OE2-OH 3.49Å
59V24.3Very low26.2Very low133 Ų133138.7 Ų138.781%0.80674%0.74SS**  trans-90111.5173.5175.50000106.3
60Y24.3Very low26.7Very low193 Ų193133.7 Ų133.776%0.75773%0.73SS**  trans-89.3116.8168.5-72.5-80.7000109.5E58E58-Y60 HydrophobicContact CB-CE2 4.08Å; E58-Y60 PolarHBondContact OE2-OH 3.49Å
61E23.2Very low27.8Very low183 Ų183134 Ų13486%0.85571%0.711SS**  trans-62132.3163.3-94.4176.1151.300109.4S63E61-S63 PolarHBondContact O-N 3.14Å
62L29.3Very low29.2Very low127 Ų127133.4 Ų133.467%0.66570%0.699SS**  trans-65.299.4166-91.9147.5000108.1S64 I65L62-S64 PolarHBondContact O-N 2.94Å; L62-I65 HydrophobicContact CD2-CD1 3.42Å; L62-I65 VanDerWaalsContact CD2-CD1 3.42Å; L62-I65 HydrophobicContact CD2-CG1 3.91Å
63S22Very low30.8Very low98 Ų98129.9 Ų129.969%0.68567%0.666SS**  trans-59115.8154.145.30000107.6E61 I65E61-S63 PolarHBondContact O-N 3.14Å; S63-I65 PolarHBondContact O-N 3.25Å
64S24.6Very low33.2Very low111 Ų111124.7 Ų124.778%0.77664%0.64SS**  trans8.385.6157.854.10000115.5L62 E66L62-S64 PolarHBondContact O-N 2.94Å; S64-E66 PolarHBondContact O-N 3.04Å
65I28.3Very low35.8Very low112 Ų112119 Ų11957%0.57461%0.611SS**  trans-8197.4162.8-60.2177.7000106L62 S63L62-I65 HydrophobicContact CD2-CD1 3.42Å; L62-I65 VanDerWaalsContact CD2-CD1 3.42Å; L62-I65 HydrophobicContact CD2-CG1 3.91Å; S63-I65 PolarHBondContact O-N 3.25Å
66E25.3Very low38.6Very low144 Ų144110.3 Ų110.367%0.67357%0.574SS**  trans-61.6130.9160.5-68.9-176.2161.100108.1S64 T68S64-E66 PolarHBondContact O-N 3.04Å; E66-T68 HydrophobicContact CB-CG2 4.25Å; E66-T68 PolarHBondContact O-N 3.09Å; E66-T68 PolarHBondContact O-OG1 3.43Å
67P29.2Very low41.6Very low112 Ų112100.5 Ų100.573%0.72753%0.531SS*.  trans-70.484175.429.6-31000108.2G69P67-G69 VanDerWaalsContact C-N 3.33Å; P67-G69 PolarHBondContact O-N 3.17Å; P67-G69 VanDerWaalsContact O-N 3.16Å
68T25.7Very low44.4Very low103 Ų10391.9 Ų91.963%0.63250%0.497SS*.  trans-86.579.4176.6420000108.5E66E66-T68 HydrophobicContact CB-CG2 4.25Å; E66-T68 PolarHBondContact O-N 3.09Å; E66-T68 PolarHBondContact O-OG1 3.43Å
69G31.9Very low47.4Very low28 Ų2884.4 Ų84.429%0.28946%0.462SS..SBendtrans172.4124174.200000110.6P67 H71P67-G69 VanDerWaalsContact C-N 3.33Å; P67-G69 PolarHBondContact O-N 3.17Å; P67-G69 VanDerWaalsContact O-N 3.16Å; G69-H71 PolarHBondContact O-CD2 3.46Å; G69-H71 PolarHBondContact O-N 3.33Å
70D35.7Very low50.5Low132 Ų13278.1 Ų78.171%0.70642%0.424SS*.  trans-67.785.6172.9-1439.6000107.8N72D70-N72 PolarHBondContact O-N 2.84Å
71H49Very low53.4Low83 Ų8369 Ų6938%0.38439%0.389SS..  trans-72.974.8-178.3-69.5-72000110.1G69 D73G69-H71 PolarHBondContact O-CD2 3.46Å; G69-H71 PolarHBondContact O-N 3.33Å; H71-D73 PolarHBondContact O-N 2.64Å; H71-D73 VanDerWaalsContact O-N 3.11Å
72N54.5Low56.3Low96 Ų9660.4 Ų60.451%0.51335%0.348SS..  trans-78.773.8162.6-100.8-1.8000108.3I36 D70 D74I36-N72 WeakPolarHBondContact CD1-O 3.28Å; D70-N72 PolarHBondContact O-N 2.84Å; N72-D74 PolarHBondContact O-N 2.98Å
73D63.2Low59.2Low22 Ų2254.3 Ų54.312%0.11832%0.317CS..  trans-67.5130.8167.3-65.1-43.9000108.5W4 C8 H71 I78W4-D73 PolarHBondContact NE1-OD2 3.19Å; C8-D73 PolarHBondContact SG-O 2.83Å; H71-D73 PolarHBondContact O-N 2.64Å; H71-D73 VanDerWaalsContact O-N 3.11Å; D73-I78 HydrophobicContact CB-CD1 4.09Å; D73-I78 HydrophobicContact CB-CG1 4.4Å
74D77.4Confident62.4Low50 Ų5049.8 Ų49.827%0.26728%0.284SS..  trans-65.2127.3-177-175.7-30.6000110.8S32 N72 L76 V77 I78S32-D74 VanDerWaalsContact CB-OD2 3.25Å; S32-D74 WeakPolarHBondContact CB-OD2 3.12Å; S32-D74 WeakPolarHBondContact OG-CB 3.36Å; S32-D74 PolarHBondContact OG-OD2 3.33Å; N72-D74 PolarHBondContact O-N 2.98Å; D74-L76 PolarHBondContact O-N 2.9Å; D74-L76 VanDerWaalsContact O-N 3.11Å; D74-L76 WeakPolarHBondContact OD1-CB 3.29Å; D74-L76 PolarHBondContact OD1-N 2.92Å; D74-V77 HydrophobicContact CB-CG2 3.98Å; D74-V77 PolarHBondContact O-N 2.9Å; D74-I78 PolarHBondContact O-N 3.16Å
75P81.8Confident65.5Low32 Ų3245.6 Ų45.621%0.20825%0.253CS..Hα-helixtrans-48.7-34.8175.1-32.640.6000114.8C8 L10 F13 I78 A79C8-P75 HydrophobicContact CB-CG 4.41Å; C8-P75 WeakPolarHBondContact O-CG 3.37Å; L10-P75 HydrophobicContact CD2-CB 3.79Å; L10-P75 HydrophobicContact CD2-CG 4.22Å; F13-P75 HydrophobicContact CB-CB 4.14Å; F13-P75 HydrophobicContact CD2-CB 3.56Å; F13-P75 HydrophobicContact CE2-CB 4.31Å; F13-P75 HydrophobicContact CG-CB 4.07Å; P75-I78 PolarHBondContact O-N 3.15Å; P75-A79 VanDerWaalsContact O-CB 3.29Å; P75-A79 WeakPolarHBondContact O-CB 3.47Å; P75-A79 PolarHBondContact O-N 2.79Å
76L88.2Confident68.5Low14 Ų1440.8 Ų40.87%0.07323%0.227CC..Hα-helixtrans-59.6-46.7175.9175.961.4000111.6F13 L15 L25 Q28 D74 I78 A79 F80F13-L76 VanDerWaalsContact CE2-CA 3.49Å; F13-L76 HydrophobicContact CE2-CB 3.89Å; F13-L76 HydrophobicContact CE2-CD1 4.19Å; F13-L76 HydrophobicContact CZ-CB 4.24Å; F13-L76 HydrophobicContact CZ-CD1 3.77Å; L15-L76 HydrophobicContact CD2-CD1 3.59Å; L25-L76 HydrophobicContact CD1-CD1 3.83Å; Q28-L76 HydrophobicContact CB-CD2 3.96Å; D74-L76 PolarHBondContact O-N 2.9Å; D74-L76 VanDerWaalsContact O-N 3.11Å; D74-L76 WeakPolarHBondContact OD1-CB 3.29Å; D74-L76 PolarHBondContact OD1-N 2.92Å; L76-I78 VanDerWaalsContact C-N 3.34Å; L76-A79 PolarHBondContact O-N 3.48Å; L76-F80 VanDerWaalsContact O-CB 3.29Å; L76-F80 WeakPolarHBondContact O-CB 3.39Å; L76-F80 PolarHBondContact O-N 3.42Å
77V87.4Confident71.6Confident0 Ų034.7 Ų34.70%020%0.198CC..Hα-helixtrans-69.3-39.1-176.8-172.90000109.8C29 L33 D74 F80 V81 L114 L117C29-V77 HydrophobicContact CB-CG2 4.19Å; L33-V77 HydrophobicContact CD1-CG1 3.9Å; L33-V77 HydrophobicContact CD1-CG2 4.47Å; L33-V77 HydrophobicContact CD2-CG1 4.19Å; L33-V77 HydrophobicContact CD2-CG2 4.23Å; L33-V77 HydrophobicContact CG-CG1 4.16Å; L33-V77 HydrophobicContact CG-CG2 3.97Å; D74-V77 HydrophobicContact CB-CG2 3.98Å; D74-V77 PolarHBondContact O-N 2.9Å; V77-F80 PolarHBondContact O-N 2.93Å; V77-V81 WeakPolarHBondContact O-CG2 3.41Å; V77-V81 PolarHBondContact O-N 2.8Å; V77-L114 HydrophobicContact CG1-CD1 3.75Å; V77-L117 HydrophobicContact CB-CD2 4.26Å; V77-L117 HydrophobicContact CG1-CD2 3.69Å
78I84.2Confident74.6Confident0 Ų030.6 Ų30.60%017%0.17CC..Hα-helixtrans-62.1-49.2174.6-61.6166.8000110W4 C8 L10 D73 D74 P75 L76 F80 V81 V82 L117 I121 F379 F387W4-I78 HydrophobicContact CH2-CD1 3.88Å; W4-I78 HydrophobicContact CH2-CG1 4.21Å; W4-I78 HydrophobicContact CH2-CG2 4.02Å; W4-I78 HydrophobicContact CZ2-CD1 3.27Å; W4-I78 HydrophobicContact CZ2-CG1 3.7Å; W4-I78 HydrophobicContact CZ2-CG2 4.37Å; C8-I78 HydrophobicContact CB-CD1 4.38Å; L10-I78 HydrophobicContact CD1-CD1 4.43Å; L10-I78 HydrophobicContact CD2-CB 4.21Å; L10-I78 HydrophobicContact CD2-CD1 3.84Å; L10-I78 HydrophobicContact CD2-CG2 4.18Å; D73-I78 HydrophobicContact CB-CD1 4.09Å; D73-I78 HydrophobicContact CB-CG1 4.4Å; D74-I78 PolarHBondContact O-N 3.16Å; P75-I78 PolarHBondContact O-N 3.15Å; L76-I78 VanDerWaalsContact C-N 3.34Å; I78-F80 VanDerWaalsContact C-N 3.28Å; I78-F80 PolarHBondContact O-N 3Å; I78-V81 PolarHBondContact O-N 3.29Å; I78-V82 HydrophobicContact CG2-CG2 4.44Å; I78-V82 WeakPolarHBondContact O-CB 3.34Å; I78-V82 VanDerWaalsContact O-CG2 3.3Å; I78-V82 WeakPolarHBondContact O-CG2 3.46Å; I78-V82 PolarHBondContact O-N 3.41Å; I78-L117 HydrophobicContact CG1-CD2 4.13Å; I78-I121 HydrophobicContact CG2-CD1 4.18Å; I78-F379 HydrophobicContact CG2-CE2 4.33Å; I78-F379 HydrophobicContact CG2-CZ 4.14Å; I78-F387 HydrophobicContact CG2-CE2 4.15Å; I78-F387 HydrophobicContact CG2-CZ 3.72Å
79A86.1Confident77.6Confident0 Ų027.1 Ų27.10%016%0.155CC..Hα-helixtrans-60-40.9178.200000112.1F13 P75 L76 V82 L83 F375 F379F13-A79 HydrophobicContact CD1-CB 4.03Å; F13-A79 HydrophobicContact CE1-CB 3.59Å; F13-A79 HydrophobicContact CZ-CB 4.08Å; P75-A79 VanDerWaalsContact O-CB 3.29Å; P75-A79 WeakPolarHBondContact O-CB 3.47Å; P75-A79 PolarHBondContact O-N 2.79Å; L76-A79 PolarHBondContact O-N 3.48Å; A79-V82 PolarHBondContact O-N 3.22Å; A79-L83 VanDerWaalsContact O-CB 3.3Å; A79-L83 WeakPolarHBondContact O-CB 3.4Å; A79-L83 WeakPolarHBondContact O-CG 3.43Å; A79-L83 PolarHBondContact O-N 3.48Å; A79-F375 HydrophobicContact CB-CE1 3.77Å; A79-F375 HydrophobicContact CB-CZ 4.22Å; A79-F379 VanDerWaalsContact CA-CD2 3.4Å; A79-F379 HydrophobicContact CB-CB 4.23Å; A79-F379 HydrophobicContact CB-CD1 3.84Å; A79-F379 HydrophobicContact CB-CD2 3.45Å; A79-F379 VanDerWaalsContact CB-CD2 3.45Å; A79-F379 HydrophobicContact CB-CE1 4Å; A79-F379 HydrophobicContact CB-CE2 3.67Å; A79-F379 HydrophobicContact CB-CG 3.53Å; A79-F379 HydrophobicContact CB-CZ 3.92Å
80F89.9Confident80.4Confident1 Ų125.8 Ų25.80%0.00414%0.141CC..Hα-helixtrans-60.6-52.1175.3-177.2-110.5000112.3M22 L25 V26 L76 V77 I78 V82 L83 H84 L93 L114M22-F80 HydrophobicContact SD-CE2 3.88Å; M22-F80 HydrophobicContact SD-CZ 4.4Å; L25-F80 HydrophobicContact CD2-CD2 3.68Å; L25-F80 HydrophobicContact CD2-CE2 3.91Å; L25-F80 HydrophobicContact CG-CD2 3.86Å; L25-F80 HydrophobicContact CG-CE2 4.07Å; V26-F80 HydrophobicContact CG2-CE1 4.38Å; V26-F80 HydrophobicContact CG2-CE2 4.32Å; V26-F80 HydrophobicContact CG2-CZ 3.64Å; L76-F80 VanDerWaalsContact O-CB 3.29Å; L76-F80 WeakPolarHBondContact O-CB 3.39Å; L76-F80 PolarHBondContact O-N 3.42Å; V77-F80 PolarHBondContact O-N 2.93Å; I78-F80 VanDerWaalsContact C-N 3.28Å; I78-F80 PolarHBondContact O-N 3Å; F80-V82 VanDerWaalsContact C-N 3.29Å; F80-V82 PolarHBondContact O-N 2.95Å; F80-L83 PolarHBondContact O-N 3.4Å; F80-H84 HydrophobicContact CE2-CB 4.43Å; F80-H84 HydrophobicContact CZ-CB 4.49Å; F80-H84 WeakPolarHBondContact O-CA 3.43Å; F80-H84 VanDerWaalsContact O-CB 3.29Å; F80-H84 WeakPolarHBondContact O-CB 3.44Å; F80-H84 PolarHBondContact O-N 2.93Å; F80-L93 HydrophobicContact CE1-CD1 3.82Å; F80-L93 HydrophobicContact CE1-CD2 3.9Å; F80-L93 HydrophobicContact CE1-CG 4.5Å; F80-L93 HydrophobicContact CZ-CD1 3.41Å; F80-L93 VanDerWaalsContact CZ-CD1 3.41Å; F80-L93 HydrophobicContact CZ-CD2 4.02Å; F80-L93 HydrophobicContact CZ-CG 4.38Å; F80-L114 HydrophobicContact CD1-CD1 4.33Å
81V85.7Confident82.9Confident2 Ų221.1 Ų21.11%0.01212%0.117CC..Hα-helixtrans-58.9-42.8178.2168.50000111.2V77 I78 H84 L114 L117 W118 I121 Y122V77-V81 WeakPolarHBondContact O-CG2 3.41Å; V77-V81 PolarHBondContact O-N 2.8Å; I78-V81 PolarHBondContact O-N 3.29Å; V81-H84 PolarHBondContact O-CE1 3.42Å; V81-H84 PolarHBondContact O-ND1 3.48Å; V81-L114 HydrophobicContact CG2-CD1 3.79Å; V81-L117 HydrophobicContact CG2-CD2 4.49Å; V81-W118 HydrophobicContact CG1-CB 3.89Å; V81-W118 HydrophobicContact CG1-CG 3.9Å; V81-W118 HydrophobicContact CG2-CB 4.23Å; V81-I121 HydrophobicContact CB-CD1 4.33Å; V81-I121 HydrophobicContact CG1-CB 4.24Å; V81-I121 HydrophobicContact CG1-CD1 3.93Å; V81-I121 HydrophobicContact CG1-CG2 4.44Å; V81-Y122 HydrophobicContact CG1-CD2 4.35Å; V81-Y122 HydrophobicContact CG1-CE2 4.47Å
82V84.1Confident85Confident1 Ų122.8 Ų22.81%0.00613%0.125CC..Hα-helixtrans-65.2-41.9179.7169.50000112.2I78 A79 F80 I121 F218 F379 F382 I386 F387I78-V82 HydrophobicContact CG2-CG2 4.44Å; I78-V82 WeakPolarHBondContact O-CB 3.34Å; I78-V82 VanDerWaalsContact O-CG2 3.3Å; I78-V82 WeakPolarHBondContact O-CG2 3.46Å; I78-V82 PolarHBondContact O-N 3.41Å; A79-V82 PolarHBondContact O-N 3.22Å; F80-V82 VanDerWaalsContact C-N 3.29Å; F80-V82 PolarHBondContact O-N 2.95Å; V82-I121 HydrophobicContact CG2-CG2 4.26Å; V82-F218 WeakPolarHBondContact O-CD2 3.27Å; V82-F218 WeakPolarHBondContact O-CE2 3.39Å; V82-F379 HydrophobicContact CB-CD2 4.4Å; V82-F379 HydrophobicContact CB-CE2 4.23Å; V82-F379 HydrophobicContact CG1-CD2 4.35Å; V82-F379 HydrophobicContact CG1-CE2 4.43Å; V82-F379 HydrophobicContact CG2-CE2 4.29Å; V82-F382 HydrophobicContact CG1-CB 4.09Å; V82-I386 HydrophobicContact CG1-CD1 4.04Å; V82-F387 HydrophobicContact CG2-CE2 3.93Å; V82-F387 HydrophobicContact CG2-CZ 3.58Å
83L89.5Confident86.8Confident0 Ų018.4 Ų18.40%010%0.102CC..Hα-helixtrans-103.9-7.9-168.9-65-175.4000115.5A79 F80 E85 W86 F218 F375 L378 F379 F382A79-L83 VanDerWaalsContact O-CB 3.3Å; A79-L83 WeakPolarHBondContact O-CB 3.4Å; A79-L83 WeakPolarHBondContact O-CG 3.43Å; A79-L83 PolarHBondContact O-N 3.48Å; F80-L83 PolarHBondContact O-N 3.4Å; L83-E85 PolarHBondContact O-N 2.85Å; L83-E85 VanDerWaalsContact O-N 3.13Å; L83-W86 WeakPolarHBondContact O-CA 3.31Å; L83-W86 WeakPolarHBondContact O-CB 3.22Å; L83-W86 PolarHBondContact O-N 3.31Å; L83-F218 HydrophobicContact CD2-CE2 3.8Å; L83-F375 HydrophobicContact CB-CE2 3.94Å; L83-F375 HydrophobicContact CB-CZ 4.17Å; L83-F375 HydrophobicContact CD1-CD1 4.11Å; L83-F375 HydrophobicContact CD1-CD2 4.13Å; L83-F375 HydrophobicContact CD1-CE1 4.03Å; L83-F375 HydrophobicContact CD1-CE2 4.02Å; L83-F375 HydrophobicContact CD1-CG 4.14Å; L83-F375 HydrophobicContact CD1-CZ 3.97Å; L83-F375 VanDerWaalsContact CD1-O 3.22Å; L83-F375 WeakPolarHBondContact CD1-O 3.27Å; L83-L378 HydrophobicContact CD1-CB 3.96Å; L83-L378 HydrophobicContact CD2-CB 4.09Å; L83-F379 HydrophobicContact CD1-CB 3.67Å; L83-F379 HydrophobicContact CD1-CD2 4.48Å; L83-F379 HydrophobicContact CG-CB 4.42Å; L83-F379 HydrophobicContact CG-CD2 4.42Å; L83-F382 HydrophobicContact CD2-CB 4.3Å; L83-F382 HydrophobicContact CD2-CD2 3.5Å; L83-F382 VanDerWaalsContact CD2-CD2 3.5Å; L83-F382 HydrophobicContact CD2-CE2 4.08Å; L83-F382 HydrophobicContact CD2-CG 4.07Å
84H89.8Confident88.1Confident2 Ų217.4 Ų17.41%0.00910%0.096CC..Hα-helixtrans-53.8-41.7-171.973.1-80.2000112.1F80 V81 W86 Y87 I88 S90 L93 W118F80-H84 HydrophobicContact CE2-CB 4.43Å; F80-H84 HydrophobicContact CZ-CB 4.49Å; F80-H84 WeakPolarHBondContact O-CA 3.43Å; F80-H84 VanDerWaalsContact O-CB 3.29Å; F80-H84 WeakPolarHBondContact O-CB 3.44Å; F80-H84 PolarHBondContact O-N 2.93Å; V81-H84 PolarHBondContact O-CE1 3.42Å; V81-H84 PolarHBondContact O-ND1 3.48Å; H84-W86 PolarHBondContact O-N 2.85Å; H84-Y87 PolarHBondContact O-N 3.05Å; H84-I88 CarbonylContact C-O 3.46Å; H84-I88 HydrophobicContact CB-CG2 4.24Å; H84-I88 PolarHBondContact O-N 3.19Å; H84-S90 PolarHBondContact NE2-OG 3.12Å; H84-L93 HydrophobicContact CB-CD2 3.83Å; H84-W118 AromaticContact CE1-CE2 3.61Å; H84-W118 AromaticContact CE1-CH2 3.95Å; H84-W118 AromaticContact CE1-CZ2 3.31Å; H84-W118 WeakPolarHBondContact CE1-CZ2 3.47Å; H84-W118 AromaticContact CE1-NE1 3.91Å; H84-W118 AromaticContact NE2-CH2 3.57Å; H84-W118 AromaticContact NE2-CZ2 3.23Å; H84-W118 WeakPolarHBondContact NE2-CZ2 3.42Å
85E89.1Confident88.9Confident23 Ų2317.9 Ų17.911%0.10710%0.099CC..Hα-helixtrans-63.2-12.6178.4-76.8-147.3139.300113.5L83 I88 S90 R129 F218 R219 K222L83-E85 PolarHBondContact O-N 2.85Å; L83-E85 VanDerWaalsContact O-N 3.13Å; E85-I88 WeakPolarHBondContact CA-O 3.44Å; E85-S90 WeakPolarHBondContact CG-OG 3.22Å; E85-S90 PolarHBondContact OE1-OG 2.94Å; E85-R129 IonicContact OE1-CZ 2.76Å; E85-R129 IonicContact OE1-NH1 2.95Å; E85-R129 PolarHBondContact OE1-NH1 3.35Å; E85-R129 IonicContact OE1-NH2 2.9Å; E85-R129 PolarHBondContact OE1-NH2 2.83Å; E85-F218 HydrophobicContact CB-CD1 3.88Å; E85-F218 HydrophobicContact CB-CE1 3.44Å; E85-F218 VanDerWaalsContact CB-CE1 3.44Å; E85-F218 HydrophobicContact CB-CZ 4.38Å; E85-R219 IonicContact OE1-CZ 2.78Å; E85-R219 IonicContact OE1-NE 2.71Å; E85-R219 PolarHBondContact OE1-NE 3.49Å; E85-R219 IonicContact OE1-NH2 3.29Å; E85-R219 PolarHBondContact OE1-NH2 2.82Å; E85-R219 WeakPolarHBondContact OE2-CG 3.37Å; E85-R219 IonicContact OE2-CZ 3.57Å; E85-R219 IonicContact OE2-NE 3.64Å; E85-R219 PolarHBondContact OE2-NE 3.43Å; E85-R219 IonicContact OE2-NH2 3.76Å; E85-K222 PolarHBondContact O-NZ 3.35Å
86W90.5Very high89.5Confident11 Ų1116.5 Ų16.54%0.0429%0.09CC..Hα-helixtrans-64.8-43.3168.1-156.2-87.1000111L83 H84 F218 K222 A225 V226 H358 D363 L378 F382L83-W86 WeakPolarHBondContact O-CA 3.31Å; L83-W86 WeakPolarHBondContact O-CB 3.22Å; L83-W86 PolarHBondContact O-N 3.31Å; H84-W86 PolarHBondContact O-N 2.85Å; W86-F218 HydrophobicContact CB-CZ 3.85Å; W86-F218 HydrophobicContact CD2-CZ 4.45Å; W86-F218 HydrophobicContact CE3-CE2 4.09Å; W86-F218 AromaticContact CE3-CZ 3.72Å; W86-F218 HydrophobicContact CE3-CZ 3.72Å; W86-K222 HydrophobicContact CD2-CD 4.42Å; W86-K222 HydrophobicContact CD2-CG 4.38Å; W86-K222 HydrophobicContact CE3-CB 4.05Å; W86-K222 HydrophobicContact CE3-CD 4.08Å; W86-K222 HydrophobicContact CE3-CG 3.75Å; W86-K222 HydrophobicContact CH2-CG 4.37Å; W86-K222 HydrophobicContact CZ3-CB 3.84Å; W86-K222 HydrophobicContact CZ3-CG 3.75Å; W86-K222 PolarHBondContact O-NZ 2.83Å; W86-A225 HydrophobicContact CH2-CB 3.97Å; W86-V226 HydrophobicContact CH2-CG2 4.42Å; W86-V226 HydrophobicContact CZ2-CG2 4.39Å; W86-H358 HydrophobicContact CZ2-CB 4.23Å; W86-H358 AromaticContact CZ2-ND1 3.93Å; W86-D363 PolarHBondContact NE1-OD1 2.81Å; W86-L378 HydrophobicContact CD2-CD1 3.83Å; W86-L378 HydrophobicContact CD2-CD2 4.37Å; W86-L378 HydrophobicContact CE3-CD1 4.46Å; W86-L378 HydrophobicContact CE3-CD2 4.34Å; W86-L378 HydrophobicContact CG-CD1 3.93Å; W86-L378 HydrophobicContact CH2-CD2 3.9Å; W86-L378 HydrophobicContact CZ2-CD1 4.29Å; W86-L378 HydrophobicContact CZ2-CD2 3.92Å; W86-L378 HydrophobicContact CZ3-CD2 4.11Å; W86-F382 AromaticContact CE3-CE2 3.95Å; W86-F382 HydrophobicContact CE3-CE2 3.95Å; W86-F382 HydrophobicContact CE3-CZ 4.23Å; W86-F382 AromaticContact CZ3-CE2 3.76Å; W86-F382 HydrophobicContact CZ3-CE2 3.76Å; W86-F382 AromaticContact CZ3-CZ 3.91Å; W86-F382 HydrophobicContact CZ3-CZ 3.91Å
87Y91.7Very high89.7Confident17 Ų1715.9 Ų15.97%0.0679%0.087CC..Hα-helixtrans-109.7-26.1-167.5-58.6-81.5000114.6M22 H84 D363 Y364 I370 F375 L378M22-Y87 VanDerWaalsContact CE-CB 3.41Å; M22-Y87 HydrophobicContact CE-CG 4.37Å; H84-Y87 PolarHBondContact O-N 3.05Å; Y87-D363 HydrophobicContact CD1-CB 4.5Å; Y87-D363 HydrophobicContact CE1-CB 4.21Å; Y87-Y364 WeakPolarHBondContact CA-OH 3.41Å; Y87-Y364 HydrophobicContact CD1-CE1 4.26Å; Y87-Y364 PolarHBondContact O-OH 3.38Å; Y87-I370 HydrophobicContact CD1-CG1 4.33Å; Y87-I370 HydrophobicContact CD1-CG2 4.02Å; Y87-I370 HydrophobicContact CE1-CG2 3.69Å; Y87-I370 HydrophobicContact CE2-CG2 4.45Å; Y87-F375 HydrophobicContact CD2-CD2 4.06Å; Y87-F375 HydrophobicContact CD2-CE2 4.32Å; Y87-F375 AromaticContact CE2-CD2 3.37Å; Y87-F375 HydrophobicContact CE2-CD2 3.37Å; Y87-F375 AromaticContact CE2-CE2 3.97Å; Y87-F375 HydrophobicContact CE2-CE2 3.97Å; Y87-F375 HydrophobicContact CE2-CG 4.34Å; Y87-F375 AromaticContact CZ-CD2 3.94Å; Y87-F375 VanDerWaalsContact OH-CA 3.3Å; Y87-F375 WeakPolarHBondContact OH-CA 3.36Å; Y87-F375 PolarHBondContact OH-N 3.41Å; Y87-L378 WeakPolarHBondContact OH-CD1 3.31Å
88I91.3Very high89.9Confident25 Ų2518 Ų1813%0.12810%0.096CC..SBendtrans-148.9138.3-177.3-171.7164000110.3M22 H84 E85 Q92 L93M22-I88 HydrophobicContact CE-CB 3.87Å; M22-I88 HydrophobicContact CE-CG2 3.58Å; M22-I88 HydrophobicContact CG-CD1 4.02Å; M22-I88 HydrophobicContact SD-CG2 3.94Å; H84-I88 CarbonylContact C-O 3.46Å; H84-I88 HydrophobicContact CB-CG2 4.24Å; H84-I88 PolarHBondContact O-N 3.19Å; E85-I88 WeakPolarHBondContact CA-O 3.44Å; I88-Q92 HydrophobicContact CD1-CB 3.94Å; I88-Q92 HydrophobicContact CG1-CB 3.6Å; I88-L93 HydrophobicContact CG2-CB 4.1Å
89G89.3Confident90.3Very high31 Ų3123.9 Ų23.932%0.3212%0.118SC..  trans-64.7143.4174.900000111.1V91 Q92 L93G89-V91 PolarHBondContact O-N 2.79Å; G89-V91 VanDerWaalsContact O-N 3.14Å; G89-Q92 VanDerWaalsContact N-OE1 3.1Å; G89-Q92 CarbonylContact O-C 3.59Å; G89-Q92 WeakPolarHBondContact O-CA 3.41Å; G89-Q92 WeakPolarHBondContact O-CB 3.47Å; G89-Q92 PolarHBondContact O-N 3.37Å; G89-L93 PolarHBondContact O-N 3.32Å
90S89.1Confident90.7Very high0 Ų025.7 Ų25.70%013%0.125CC..Hα-helixtrans-54.3-35.7-177.8-52.40000114.6H84 E85 L93 I94 R129 L132H84-S90 PolarHBondContact NE2-OG 3.12Å; E85-S90 WeakPolarHBondContact CG-OG 3.22Å; E85-S90 PolarHBondContact OE1-OG 2.94Å; S90-L93 WeakPolarHBondContact O-CB 3.42Å; S90-L93 PolarHBondContact O-N 2.83Å; S90-I94 WeakPolarHBondContact O-CG1 3.22Å; S90-I94 PolarHBondContact O-N 3.3Å; S90-I94 VanDerWaalsContact O-N 3.12Å; S90-R129 PolarHBondContact OG-NH1 3.08Å; S90-R129 PolarHBondContact OG-NH2 3.32Å; S90-L132 VanDerWaalsContact CB-CD1 3.42Å
91V89.2Confident90.6Very high34 Ų3425.7 Ų25.721%0.20613%0.125CC..Hα-helixtrans-68-46.4175.6178.10000110.7G89 L93 I94 D95 E131 L132 A135G89-V91 PolarHBondContact O-N 2.79Å; G89-V91 VanDerWaalsContact O-N 3.14Å; V91-L93 PolarHBondContact O-N 2.96Å; V91-I94 WeakPolarHBondContact O-CB 3.25Å; V91-I94 PolarHBondContact O-N 3.31Å; V91-D95 PolarHBondContact O-N 2.87Å; V91-E131 HydrophobicContact CG2-CB 4.23Å; V91-L132 HydrophobicContact CG2-CD1 4.43Å; V91-A135 HydrophobicContact CG1-CB 4.14Å
92Q92.7Very high90.9Very high117 Ų11730 Ų3055%0.54715%0.145SC..Hα-helixtrans-62.5-33176.6-63.7168.9-26.200111.8I88 G89 D95 C96I88-Q92 HydrophobicContact CD1-CB 3.94Å; I88-Q92 HydrophobicContact CG1-CB 3.6Å; G89-Q92 VanDerWaalsContact N-OE1 3.1Å; G89-Q92 CarbonylContact O-C 3.59Å; G89-Q92 WeakPolarHBondContact O-CA 3.41Å; G89-Q92 WeakPolarHBondContact O-CB 3.47Å; G89-Q92 PolarHBondContact O-N 3.37Å; Q92-D95 PolarHBondContact O-N 2.95Å; Q92-C96 WeakPolarHBondContact O-CB 3.4Å; Q92-C96 PolarHBondContact O-N 3.04Å
93L93.4Very high91.2Very high4 Ų436.9 Ų36.92%0.02118%0.175CC..Hα-helixtrans-63.6-45.2172.3172.658.5000111.1V26 F80 H84 I88 G89 S90 V91 D95 C96 V97 W118V26-L93 HydrophobicContact CG2-CD1 3.86Å; F80-L93 HydrophobicContact CE1-CD1 3.82Å; F80-L93 HydrophobicContact CE1-CD2 3.9Å; F80-L93 HydrophobicContact CE1-CG 4.5Å; F80-L93 HydrophobicContact CZ-CD1 3.41Å; F80-L93 VanDerWaalsContact CZ-CD1 3.41Å; F80-L93 HydrophobicContact CZ-CD2 4.02Å; F80-L93 HydrophobicContact CZ-CG 4.38Å; H84-L93 HydrophobicContact CB-CD2 3.83Å; I88-L93 HydrophobicContact CG2-CB 4.1Å; G89-L93 PolarHBondContact O-N 3.32Å; S90-L93 WeakPolarHBondContact O-CB 3.42Å; S90-L93 PolarHBondContact O-N 2.83Å; V91-L93 PolarHBondContact O-N 2.96Å; L93-D95 VanDerWaalsContact C-N 3.3Å; L93-D95 PolarHBondContact O-N 3.41Å; L93-C96 WeakPolarHBondContact O-CB 3.35Å; L93-C96 PolarHBondContact O-N 3.47Å; L93-C96 VanDerWaalsContact O-N 3.15Å; L93-V97 HydrophobicContact CD1-CG2 4.08Å; L93-V97 HydrophobicContact CG-CG2 4.48Å; L93-V97 WeakPolarHBondContact O-CG2 3.2Å; L93-V97 PolarHBondContact O-N 3.16Å; L93-W118 HydrophobicContact CD2-CH2 4.13Å; L93-W118 HydrophobicContact CD2-CZ3 3.97Å
94I90.6Very high91.2Very high1 Ų141 Ų411%0.00519%0.193CC..Hα-helixtrans-59.8-44.7176-65.6162.8000110.2S90 V91 C96 V97 F98 F115 W118 L132 A135 I136 L139S90-I94 WeakPolarHBondContact O-CG1 3.22Å; S90-I94 PolarHBondContact O-N 3.3Å; S90-I94 VanDerWaalsContact O-N 3.12Å; V91-I94 WeakPolarHBondContact O-CB 3.25Å; V91-I94 PolarHBondContact O-N 3.31Å; I94-C96 VanDerWaalsContact C-N 3.27Å; I94-C96 PolarHBondContact O-N 2.97Å; I94-V97 PolarHBondContact O-N 3.28Å; I94-F98 WeakPolarHBondContact O-CB 3.45Å; I94-F98 PolarHBondContact O-N 3.3Å; I94-F115 HydrophobicContact CD1-CE1 4.39Å; I94-F115 HydrophobicContact CG1-CE1 3.85Å; I94-F115 HydrophobicContact CG1-CZ 3.87Å; I94-F115 HydrophobicContact CG2-CZ 4.45Å; I94-W118 HydrophobicContact CG1-CZ3 4.44Å; I94-L132 HydrophobicContact CD1-CD1 3.36Å; I94-L132 HydrophobicContact CD1-CG 4.02Å; I94-L132 HydrophobicContact CG1-CD1 4.45Å; I94-A135 HydrophobicContact CB-CB 4.24Å; I94-A135 HydrophobicContact CD1-CB 3.73Å; I94-A135 HydrophobicContact CG2-CB 4Å; I94-I136 HydrophobicContact CD1-CD1 4.33Å; I94-I136 HydrophobicContact CD1-CG1 3.66Å; I94-I136 HydrophobicContact CG1-CG1 4.45Å; I94-L139 HydrophobicContact CG2-CB 4.49Å; I94-L139 HydrophobicContact CG2-CD2 4.4Å
95D92.8Very high91.1Very high60 Ų6043.2 Ų43.232%0.32121%0.208SC..Hα-helixtrans-63.7-34.2177.3-61.4-32.3000111.9V91 Q92 L93 R99V91-D95 PolarHBondContact O-N 2.87Å; Q92-D95 PolarHBondContact O-N 2.95Å; L93-D95 VanDerWaalsContact C-N 3.3Å; L93-D95 PolarHBondContact O-N 3.41Å; D95-R99 WeakPolarHBondContact O-CG 3.27Å; D95-R99 PolarHBondContact O-N 2.79Å; D95-R99 VanDerWaalsContact O-N 3.08Å
96C94.2Very high90.9Very high3 Ų348.4 Ų48.42%0.0223%0.232CC..Hα-helixtrans-64.9-51.5172.3-171.30000111.1Q92 L93 I94 F98 R99 R100Q92-C96 WeakPolarHBondContact O-CB 3.4Å; Q92-C96 PolarHBondContact O-N 3.04Å; L93-C96 WeakPolarHBondContact O-CB 3.35Å; L93-C96 PolarHBondContact O-N 3.47Å; L93-C96 VanDerWaalsContact O-N 3.15Å; I94-C96 VanDerWaalsContact C-N 3.27Å; I94-C96 PolarHBondContact O-N 2.97Å; C96-F98 PolarHBondContact O-N 2.96Å; C96-R99 PolarHBondContact O-N 3.25Å; C96-R100 WeakPolarHBondContact O-CG 3.26Å; C96-R100 PolarHBondContact O-N 2.92Å; C96-R100 VanDerWaalsContact O-N 3.09Å
97V92.9Very high90.7Very high1 Ų148.8 Ų48.81%0.00623%0.233CC..Hα-helixtrans-57-40.6176.41710000110.7V26 L93 I94 R100 L101 V111 L114 F115V26-V97 HydrophobicContact CG1-CG2 3.94Å; L93-V97 HydrophobicContact CD1-CG2 4.08Å; L93-V97 HydrophobicContact CG-CG2 4.48Å; L93-V97 WeakPolarHBondContact O-CG2 3.2Å; L93-V97 PolarHBondContact O-N 3.16Å; I94-V97 PolarHBondContact O-N 3.28Å; V97-R100 PolarHBondContact O-N 3.45Å; V97-L101 WeakPolarHBondContact O-CB 3.46Å; V97-L101 PolarHBondContact O-N 2.97Å; V97-V111 HydrophobicContact CG1-CB 4.44Å; V97-V111 HydrophobicContact CG1-CG1 3.77Å; V97-V111 HydrophobicContact CG1-CG2 3.82Å; V97-L114 HydrophobicContact CG2-CD2 4.26Å; V97-F115 HydrophobicContact CG1-CE2 4.5Å
98F92Very high90.5Very high45 Ų4548.9 Ų48.920%0.19723%0.233CC..Hα-helixtrans-60-52.4177.5-173.7-161.3000111.4I94 C96 R100 L101 E102 L139 W142I94-F98 WeakPolarHBondContact O-CB 3.45Å; I94-F98 PolarHBondContact O-N 3.3Å; C96-F98 PolarHBondContact O-N 2.96Å; F98-R100 PolarHBondContact O-N 3.37Å; F98-L101 WeakPolarHBondContact O-CB 3.39Å; F98-L101 PolarHBondContact O-N 3.48Å; F98-E102 HydrophobicContact CD2-CG 3.97Å; F98-E102 HydrophobicContact CE2-CG 3.66Å; F98-E102 HydrophobicContact CZ-CG 4.4Å; F98-E102 PolarHBondContact O-N 2.99Å; F98-L139 HydrophobicContact CB-CD1 3.76Å; F98-L139 HydrophobicContact CD2-CD1 3.49Å; F98-L139 VanDerWaalsContact CD2-CD1 3.49Å; F98-L139 HydrophobicContact CE2-CD1 4.35Å; F98-L139 HydrophobicContact CG-CD1 3.74Å; F98-W142 HydrophobicContact CD2-CD2 4.43Å; F98-W142 HydrophobicContact CD2-CE3 4.41Å; F98-W142 HydrophobicContact CE2-CB 3.89Å; F98-W142 AromaticContact CE2-CD1 3.8Å; F98-W142 AromaticContact CE2-CD2 3.39Å; F98-W142 HydrophobicContact CE2-CD2 3.39Å; F98-W142 AromaticContact CE2-CE2 3.81Å; F98-W142 AromaticContact CE2-CE3 3.76Å; F98-W142 HydrophobicContact CE2-CE3 3.76Å; F98-W142 AromaticContact CE2-CG 3.42Å; F98-W142 HydrophobicContact CE2-CG 3.42Å; F98-W142 VanDerWaalsContact CE2-CG 3.42Å; F98-W142 HydrophobicContact CE2-CZ3 4.47Å; F98-W142 AromaticContact CE2-NE1 3.97Å; F98-W142 HydrophobicContact CZ-CB 3.8Å; F98-W142 AromaticContact CZ-CD1 3.58Å; F98-W142 AromaticContact CZ-CD2 4Å; F98-W142 HydrophobicContact CZ-CD2 4Å; F98-W142 AromaticContact CZ-CG 3.51Å; F98-W142 HydrophobicContact CZ-CG 3.51Å
99R93.3Very high90.1Very high123 Ų12350.9 Ų50.946%0.46425%0.248SC..Hα-helixtrans-58.8-32.9176.7-74.3-176-72.6145.4-1.3113.5E23 D95 C96E23-R99 IonicContact OE1-NH1 2.69Å; E23-R99 PolarHBondContact OE1-NH1 3.38Å; D95-R99 WeakPolarHBondContact O-CG 3.27Å; D95-R99 PolarHBondContact O-N 2.79Å; D95-R99 VanDerWaalsContact O-N 3.08Å; C96-R99 PolarHBondContact O-N 3.25Å
100R92.7Very high90Very high39 Ų3949.5 Ų49.515%0.14723%0.234CC..Hα-helixtrans-72.6-39.4174.7-58.7-49.7-67.3-177.9-1111.6E23 V26 D27 C96 V97 F98 K103 K104E23-R100 IonicContact OE2-NH1 3.31Å; E23-R100 PolarHBondContact OE2-NH1 2.81Å; V26-R100 HydrophobicContact CG1-CG 4.16Å; D27-R100 IonicContact OD1-CZ 3.95Å; D27-R100 IonicContact OD1-NE 2.72Å; D27-R100 PolarHBondContact OD1-NE 3.08Å; D27-R100 IonicContact OD1-NH2 2.81Å; D27-R100 PolarHBondContact OD1-NH2 2.9Å; D27-R100 IonicContact OD2-CZ 3.77Å; D27-R100 IonicContact OD2-NE 3.24Å; D27-R100 IonicContact OD2-NH2 2.75Å; D27-R100 PolarHBondContact OD2-NH2 3.23Å; C96-R100 WeakPolarHBondContact O-CG 3.26Å; C96-R100 PolarHBondContact O-N 2.92Å; C96-R100 VanDerWaalsContact O-N 3.09Å; V97-R100 PolarHBondContact O-N 3.45Å; F98-R100 PolarHBondContact O-N 3.37Å; R100-K103 PolarHBondContact O-N 3.4Å; R100-K104 PolarHBondContact O-N 2.88Å
101L89.4Confident89.9Confident0 Ų049.5 Ų49.50%023%0.234CC..Hα-helixtrans-66-38.4177-176.668.8000111.9V97 F98 K103 K104 P105 R107 W108 V111 L139 W142 I147V97-L101 WeakPolarHBondContact O-CB 3.46Å; V97-L101 PolarHBondContact O-N 2.97Å; F98-L101 WeakPolarHBondContact O-CB 3.39Å; F98-L101 PolarHBondContact O-N 3.48Å; L101-K103 PolarHBondContact O-N 3.34Å; L101-K104 CarbonylContact O-C 3.09Å; L101-K104 PolarHBondContact O-N 3.33Å; L101-K104 VanDerWaalsContact O-N 3.1Å; L101-P105 WeakPolarHBondContact O-CA 3.48Å; L101-R107 HydrophobicContact CD1-CB 4.43Å; L101-W108 HydrophobicContact CD1-CB 4.17Å; L101-W108 HydrophobicContact CD1-CE3 4.45Å; L101-W108 HydrophobicContact CD2-CE3 3.57Å; L101-W108 HydrophobicContact CD2-CZ3 3.95Å; L101-V111 HydrophobicContact CD1-CG2 4.16Å; L101-L139 HydrophobicContact CD2-CD1 3.87Å; L101-W142 HydrophobicContact CD2-CE3 4.24Å; L101-W142 HydrophobicContact CD2-CZ3 3.81Å; L101-W142 HydrophobicContact CG-CZ3 3.93Å; L101-I147 HydrophobicContact CD1-CD1 4.43Å; L101-I147 HydrophobicContact CD2-CD1 4.22Å
102E90.8Very high89.5Confident94 Ų9449.1 Ų49.144%0.43923%0.231SC..Hα-helixtrans-56.4-37.1174.5-72.8-177.8136.100112.2F98 W142F98-E102 HydrophobicContact CD2-CG 3.97Å; F98-E102 HydrophobicContact CE2-CG 3.66Å; F98-E102 HydrophobicContact CZ-CG 4.4Å; F98-E102 PolarHBondContact O-N 2.99Å; E102-W142 HydrophobicContact CB-CH2 4.49Å; E102-W142 HydrophobicContact CB-CZ2 4.29Å; E102-W142 HydrophobicContact CG-CH2 4.12Å; E102-W142 HydrophobicContact CG-CZ2 3.68Å
103K91.2Very high89Confident144 Ų14445.2 Ų45.263%0.62621%0.212SC*.Hα-helixtrans-76.6-29.2177.9-65.6178.8-177.5179.50113.2R100 L101R100-K103 PolarHBondContact O-N 3.4Å; L101-K103 PolarHBondContact O-N 3.34Å
104K89.9Confident88.6Confident86 Ų8645.2 Ų45.237%0.37421%0.212SC..  trans-139.874.5-175.4-71.6-170.2179.2-178.10111R100 L101 E106 R107R100-K104 PolarHBondContact O-N 2.88Å; L101-K104 CarbonylContact O-C 3.09Å; L101-K104 PolarHBondContact O-N 3.33Å; L101-K104 VanDerWaalsContact O-N 3.1Å; K104-E106 VanDerWaalsContact CA-OE2 3.28Å; K104-E106 WeakPolarHBondContact CA-OE2 3.3Å; K104-E106 VanDerWaalsContact CB-OE1 3.31Å; K104-E106 WeakPolarHBondContact CB-OE1 3.45Å; K104-E106 WeakPolarHBondContact CG-OE1 3.49Å; K104-E106 PolarHBondContact O-N 3.41Å; K104-E106 VanDerWaalsContact O-N 3.11Å; K104-R107 HydrophobicContact CB-CG 4.13Å; K104-R107 WeakPolarHBondContact O-CB 3.44Å; K104-R107 PolarHBondContact O-N 3.01Å
105P86.5Confident88.3Confident50 Ų5046 Ų4633%0.32522%0.215SC..G310 helixtrans-58.6-25.2-176-24.535000113.7L101 R107 W108 I147L101-P105 WeakPolarHBondContact O-CA 3.48Å; P105-R107 PolarHBondContact O-N 3.09Å; P105-R107 VanDerWaalsContact O-N 3.14Å; P105-W108 PolarHBondContact O-N 3.02Å; P105-I147 HydrophobicContact CB-CG1 4.11Å
106E85.1Confident87.3Confident132 Ų13245.4 Ų45.462%0.61721%0.212SC*.G310 helixtrans-60.7-19.3175.969.9-81-173.600113.7K104 W108 P109K104-E106 VanDerWaalsContact CA-OE2 3.28Å; K104-E106 WeakPolarHBondContact CA-OE2 3.3Å; K104-E106 VanDerWaalsContact CB-OE1 3.31Å; K104-E106 WeakPolarHBondContact CB-OE1 3.45Å; K104-E106 WeakPolarHBondContact CG-OE1 3.49Å; K104-E106 PolarHBondContact O-N 3.41Å; K104-E106 VanDerWaalsContact O-N 3.11Å; E106-W108 PolarHBondContact O-N 3.45Å; E106-P109 VanDerWaalsContact O-CD 3.3Å; E106-P109 WeakPolarHBondContact O-CD 3.28Å
107R86.9Confident86.4Confident19 Ų1945.5 Ų45.57%0.07221%0.212CC..G310 helixtrans-78.40.6177.9-70-177.1165.8174.5-5.7114.2D27 L101 K104 P105 P109 S110 V111D27-R107 IonicContact OD1-NH1 3.13Å; D27-R107 PolarHBondContact OD1-NH1 3.35Å; D27-R107 IonicContact OD2-CZ 3.81Å; D27-R107 IonicContact OD2-NH1 3.65Å; D27-R107 PolarHBondContact OD2-NH1 3.24Å; D27-R107 IonicContact OD2-NH2 3.79Å; L101-R107 HydrophobicContact CD1-CB 4.43Å; K104-R107 HydrophobicContact CB-CG 4.13Å; K104-R107 WeakPolarHBondContact O-CB 3.44Å; K104-R107 PolarHBondContact O-N 3.01Å; P105-R107 PolarHBondContact O-N 3.09Å; P105-R107 VanDerWaalsContact O-N 3.14Å; R107-P109 VanDerWaalsContact C-CD 3.44Å; R107-P109 VanDerWaalsContact C-N 3.35Å; R107-S110 WeakPolarHBondContact O-CB 3.42Å; R107-S110 PolarHBondContact O-N 3.39Å; R107-V111 PolarHBondContact O-N 3.36Å; R107-V111 VanDerWaalsContact O-N 3.1Å
108W86.7Confident85.8Confident18 Ų1845.6 Ų45.67%0.06821%0.212CC..Hα-helixtrans-49.2-44.8179.7177.8-115.6000114.8L101 P105 E106 S110 V111 V112 L139 R140 A143 I147 F150L101-W108 HydrophobicContact CD1-CB 4.17Å; L101-W108 HydrophobicContact CD1-CE3 4.45Å; L101-W108 HydrophobicContact CD2-CE3 3.57Å; L101-W108 HydrophobicContact CD2-CZ3 3.95Å; P105-W108 PolarHBondContact O-N 3.02Å; E106-W108 PolarHBondContact O-N 3.45Å; W108-S110 VanDerWaalsContact C-N 3.3Å; W108-S110 PolarHBondContact O-N 3.5Å; W108-V111 HydrophobicContact CE3-CB 4.37Å; W108-V111 HydrophobicContact CE3-CG1 4.38Å; W108-V111 HydrophobicContact CZ3-CG1 4.28Å; W108-V111 WeakPolarHBondContact O-CB 3.44Å; W108-V111 PolarHBondContact O-N 3.29Å; W108-V111 VanDerWaalsContact O-N 3.14Å; W108-V112 HydrophobicContact CD2-CG2 4.08Å; W108-V112 HydrophobicContact CH2-CG2 4.35Å; W108-V112 HydrophobicContact CZ2-CG2 3.76Å; W108-V112 WeakPolarHBondContact O-CG2 3.45Å; W108-V112 PolarHBondContact O-N 2.94Å; W108-L139 HydrophobicContact CZ3-CG 4.26Å; W108-R140 HydrophobicContact CH2-CG 4.33Å; W108-A143 HydrophobicContact CD2-CB 4.12Å; W108-A143 HydrophobicContact CE3-CB 3.81Å; W108-A143 HydrophobicContact CH2-CB 3.53Å; W108-A143 HydrophobicContact CZ2-CB 3.88Å; W108-A143 HydrophobicContact CZ3-CB 3.5Å; W108-A143 VanDerWaalsContact CZ3-CB 3.5Å; W108-I147 HydrophobicContact CB-CD1 3.64Å; W108-I147 HydrophobicContact CB-CG2 4.26Å; W108-I147 HydrophobicContact CD2-CD1 3.92Å; W108-I147 HydrophobicContact CE3-CD1 4.04Å; W108-I147 HydrophobicContact CG-CD1 3.77Å; W108-I147 HydrophobicContact CG-CG2 4.35Å; W108-F150 AromaticContact CE2-CD2 3.93Å; W108-F150 HydrophobicContact CH2-CE2 4.27Å; W108-F150 AromaticContact CZ2-CD2 3.83Å; W108-F150 HydrophobicContact CZ2-CD2 3.83Å; W108-F150 AromaticContact CZ2-CE2 3.57Å; W108-F150 HydrophobicContact CZ2-CE2 3.57Å; W108-F150 AromaticContact NE1-CD2 3.88Å
109P82.9Confident84.9Confident67 Ų6745.1 Ų45.144%0.43521%0.211SC..Hα-helixtrans-60.4-38.1177.4-23.535.5000113.1E106 R107 V112 R113E106-P109 VanDerWaalsContact O-CD 3.3Å; E106-P109 WeakPolarHBondContact O-CD 3.28Å; R107-P109 VanDerWaalsContact C-CD 3.44Å; R107-P109 VanDerWaalsContact C-N 3.35Å; P109-V112 PolarHBondContact O-N 3.15Å; P109-R113 WeakPolarHBondContact O-CG 3.41Å; P109-R113 PolarHBondContact O-N 3.43Å
110S86.9Confident83.7Confident2 Ų244.4 Ų44.41%0.01421%0.213CC..Hα-helixtrans-64.9-41.2175.3-62.30000111.7L30 L33 C34 R107 W108 R113 L114L30-S110 WeakPolarHBondContact O-CB 3.05Å; L30-S110 PolarHBondContact O-OG 2.98Å; L33-S110 WeakPolarHBondContact CD1-O 3.43Å; C34-S110 WeakPolarHBondContact CA-OG 3.38Å; C34-S110 WeakPolarHBondContact CB-OG 3.35Å; C34-S110 PolarHBondContact N-OG 3.5Å; R107-S110 WeakPolarHBondContact O-CB 3.42Å; R107-S110 PolarHBondContact O-N 3.39Å; W108-S110 VanDerWaalsContact C-N 3.3Å; W108-S110 PolarHBondContact O-N 3.5Å; S110-R113 PolarHBondContact O-N 3.28Å; S110-L114 PolarHBondContact O-N 2.88Å
111V87.2Confident82.7Confident0 Ų043.2 Ų43.20%021%0.21CC..Hα-helixtrans-61.3-45.5176.3174.70000110.7L30 V97 L101 R107 W108 R113 L114 F115 L139L30-V111 HydrophobicContact CD1-CG2 4.27Å; L30-V111 HydrophobicContact CD2-CB 4.47Å; L30-V111 HydrophobicContact CD2-CG2 3.73Å; V97-V111 HydrophobicContact CG1-CB 4.44Å; V97-V111 HydrophobicContact CG1-CG1 3.77Å; V97-V111 HydrophobicContact CG1-CG2 3.82Å; L101-V111 HydrophobicContact CD1-CG2 4.16Å; R107-V111 PolarHBondContact O-N 3.36Å; R107-V111 VanDerWaalsContact O-N 3.1Å; W108-V111 HydrophobicContact CE3-CB 4.37Å; W108-V111 HydrophobicContact CE3-CG1 4.38Å; W108-V111 HydrophobicContact CZ3-CG1 4.28Å; W108-V111 WeakPolarHBondContact O-CB 3.44Å; W108-V111 PolarHBondContact O-N 3.29Å; W108-V111 VanDerWaalsContact O-N 3.14Å; V111-R113 VanDerWaalsContact C-N 3.32Å; V111-R113 PolarHBondContact O-N 3.03Å; V111-L114 WeakPolarHBondContact O-CB 3.46Å; V111-L114 PolarHBondContact O-N 3.49Å; V111-F115 HydrophobicContact CG1-CD2 3.76Å; V111-F115 HydrophobicContact CG1-CE2 3.53Å; V111-F115 WeakPolarHBondContact O-CD2 3.46Å; V111-F115 PolarHBondContact O-N 3.08Å; V111-F115 VanDerWaalsContact O-N 3.1Å; V111-L139 HydrophobicContact CG1-CD2 4.05Å
112V81.9Confident81.9Confident26 Ų2643.8 Ų43.816%0.15821%0.212CC..Hα-helixtrans-59.4-43.5176.1171.80000111.3W108 P109 F115 N116 T154W108-V112 HydrophobicContact CD2-CG2 4.08Å; W108-V112 HydrophobicContact CH2-CG2 4.35Å; W108-V112 HydrophobicContact CZ2-CG2 3.76Å; W108-V112 WeakPolarHBondContact O-CG2 3.45Å; W108-V112 PolarHBondContact O-N 2.94Å; P109-V112 PolarHBondContact O-N 3.15Å; V112-F115 PolarHBondContact O-N 3.18Å; V112-N116 WeakPolarHBondContact O-CB 3.43Å; V112-N116 VanDerWaalsContact O-CG 3.3Å; V112-N116 PolarHBondContact O-N 3.41Å; V112-N116 PolarHBondContact O-ND2 3.4Å; V112-T154 HydrophobicContact CG1-CG2 3.53Å; V112-T154 HydrophobicContact CG2-CG2 4.43Å
113R81.6Confident80.8Confident36 Ų3642.9 Ų42.914%0.13621%0.214CC..Hα-helixtrans-63.4-41.3177.1-71.3171.6-179-160.1-3.1112.4L33 I36 G37 P109 S110 V111 F115 N116 L117L33-R113 HydrophobicContact CD1-CB 4.29Å; L33-R113 HydrophobicContact CD2-CB 4.17Å; L33-R113 PolarHBondContact O-NH1 3.44Å; I36-R113 PolarHBondContact O-NH1 3.07Å; I36-R113 PolarHBondContact O-NH2 2.93Å; G37-R113 PolarHBondContact O-NH2 2.85Å; G37-R113 VanDerWaalsContact O-NH2 3.16Å; P109-R113 WeakPolarHBondContact O-CG 3.41Å; P109-R113 PolarHBondContact O-N 3.43Å; S110-R113 PolarHBondContact O-N 3.28Å; V111-R113 VanDerWaalsContact C-N 3.32Å; V111-R113 PolarHBondContact O-N 3.03Å; R113-F115 PolarHBondContact O-N 3.23Å; R113-N116 PolarHBondContact O-N 3.25Å; R113-L117 PolarHBondContact O-N 3.26Å
114L86Confident79.4Confident4 Ų436.8 Ų36.82%0.02119%0.188CC..Hα-helixtrans-58-48.5176.1177.464000111.1L30 L33 V77 F80 V81 V97 S110 V111 L117 W118L30-L114 HydrophobicContact CD2-CD2 4.24Å; L33-L114 HydrophobicContact CD1-CB 3.67Å; L33-L114 HydrophobicContact CD1-CD1 4.4Å; V77-L114 HydrophobicContact CG1-CD1 3.75Å; F80-L114 HydrophobicContact CD1-CD1 4.33Å; V81-L114 HydrophobicContact CG2-CD1 3.79Å; V97-L114 HydrophobicContact CG2-CD2 4.26Å; S110-L114 PolarHBondContact O-N 2.88Å; V111-L114 WeakPolarHBondContact O-CB 3.46Å; V111-L114 PolarHBondContact O-N 3.49Å; L114-L117 PolarHBondContact O-N 3.33Å; L114-W118 WeakPolarHBondContact O-CB 3.48Å; L114-W118 PolarHBondContact O-N 3.21Å
115F83.1Confident78.3Confident16 Ų1633 Ų337%0.0717%0.171CC..Hα-helixtrans-67.8-37.1178.7-75.6-67.2000112.7I94 V97 V111 V112 R113 W118 M119 F126 I136 L139I94-F115 HydrophobicContact CD1-CE1 4.39Å; I94-F115 HydrophobicContact CG1-CE1 3.85Å; I94-F115 HydrophobicContact CG1-CZ 3.87Å; I94-F115 HydrophobicContact CG2-CZ 4.45Å; V97-F115 HydrophobicContact CG1-CE2 4.5Å; V111-F115 HydrophobicContact CG1-CD2 3.76Å; V111-F115 HydrophobicContact CG1-CE2 3.53Å; V111-F115 WeakPolarHBondContact O-CD2 3.46Å; V111-F115 PolarHBondContact O-N 3.08Å; V111-F115 VanDerWaalsContact O-N 3.1Å; V112-F115 PolarHBondContact O-N 3.18Å; R113-F115 PolarHBondContact O-N 3.23Å; F115-W118 AromaticContact CD1-CE3 3.87Å; F115-W118 HydrophobicContact CD1-CE3 3.87Å; F115-W118 HydrophobicContact CD1-CZ3 4.27Å; F115-W118 AromaticContact CE1-CE3 3.86Å; F115-W118 HydrophobicContact CE1-CE3 3.86Å; F115-W118 AromaticContact CE1-CZ3 3.8Å; F115-W118 HydrophobicContact CE1-CZ3 3.8Å; F115-W118 PolarHBondContact O-N 3.46Å; F115-M119 WeakPolarHBondContact O-CB 3.21Å; F115-M119 WeakPolarHBondContact O-CG 3.45Å; F115-M119 PolarHBondContact O-N 3.25Å; F115-F126 HydrophobicContact CD1-CE1 4.29Å; F115-F126 HydrophobicContact CD1-CZ 4.48Å; F115-I136 HydrophobicContact CD1-CD1 4.45Å; F115-I136 HydrophobicContact CE1-CD1 4.41Å; F115-I136 HydrophobicContact CE1-CG1 4.13Å; F115-L139 HydrophobicContact CE2-CD2 3.57Å; F115-L139 HydrophobicContact CZ-CD2 4.02Å
116N73Confident77.4Confident48 Ų4831.7 Ų31.726%0.25716%0.161SC..Hα-helixtrans-61-45.2173.9-75.6-19.8000111.4V112 R113 M119 Q120V112-N116 WeakPolarHBondContact O-CB 3.43Å; V112-N116 VanDerWaalsContact O-CG 3.3Å; V112-N116 PolarHBondContact O-N 3.41Å; V112-N116 PolarHBondContact O-ND2 3.4Å; R113-N116 PolarHBondContact O-N 3.25Å; N116-M119 PolarHBondContact O-N 2.92Å; N116-Q120 VanDerWaalsContact O-CG 3.31Å; N116-Q120 WeakPolarHBondContact O-CG 3.2Å; N116-Q120 PolarHBondContact O-N 3.44Å
117L75.2Confident76.2Confident6 Ų629.7 Ų29.73%0.03116%0.161CC..Hα-helixtrans-63.5-43.7176.1-178.964.2000111.3W4 V77 I78 V81 R113 L114 M119 Q120 I121W4-L117 HydrophobicContact CZ2-CD1 4.22Å; V77-L117 HydrophobicContact CB-CD2 4.26Å; V77-L117 HydrophobicContact CG1-CD2 3.69Å; I78-L117 HydrophobicContact CG1-CD2 4.13Å; V81-L117 HydrophobicContact CG2-CD2 4.49Å; R113-L117 PolarHBondContact O-N 3.26Å; L114-L117 PolarHBondContact O-N 3.33Å; L117-M119 VanDerWaalsContact C-N 3.34Å; L117-M119 PolarHBondContact O-N 3.36Å; L117-Q120 WeakPolarHBondContact O-CB 3.49Å; L117-Q120 PolarHBondContact O-N 2.72Å; L117-Q120 VanDerWaalsContact O-N 3.13Å; L117-I121 HydrophobicContact CD1-CD1 3.99Å; L117-I121 HydrophobicContact CD1-CG1 4.34Å; L117-I121 HydrophobicContact CG-CD1 3.98Å; L117-I121 WeakPolarHBondContact O-CG1 3.4Å; L117-I121 PolarHBondContact O-N 2.97Å
118W79Confident74.9Confident3 Ų331.5 Ų31.51%0.01117%0.172CC..Hα-helixtrans-60-43.8176-172.50.1000112V81 H84 L93 I94 L114 F115 Q120 I121 Y122 D125 F126 L132V81-W118 HydrophobicContact CG1-CB 3.89Å; V81-W118 HydrophobicContact CG1-CG 3.9Å; V81-W118 HydrophobicContact CG2-CB 4.23Å; H84-W118 AromaticContact CE1-CE2 3.61Å; H84-W118 AromaticContact CE1-CH2 3.95Å; H84-W118 AromaticContact CE1-CZ2 3.31Å; H84-W118 WeakPolarHBondContact CE1-CZ2 3.47Å; H84-W118 AromaticContact CE1-NE1 3.91Å; H84-W118 AromaticContact NE2-CH2 3.57Å; H84-W118 AromaticContact NE2-CZ2 3.23Å; H84-W118 WeakPolarHBondContact NE2-CZ2 3.42Å; L93-W118 HydrophobicContact CD2-CH2 4.13Å; L93-W118 HydrophobicContact CD2-CZ3 3.97Å; I94-W118 HydrophobicContact CG1-CZ3 4.44Å; L114-W118 WeakPolarHBondContact O-CB 3.48Å; L114-W118 PolarHBondContact O-N 3.21Å; F115-W118 AromaticContact CD1-CE3 3.87Å; F115-W118 HydrophobicContact CD1-CE3 3.87Å; F115-W118 HydrophobicContact CD1-CZ3 4.27Å; F115-W118 AromaticContact CE1-CE3 3.86Å; F115-W118 HydrophobicContact CE1-CE3 3.86Å; F115-W118 AromaticContact CE1-CZ3 3.8Å; F115-W118 HydrophobicContact CE1-CZ3 3.8Å; F115-W118 PolarHBondContact O-N 3.46Å; W118-Q120 VanDerWaalsContact C-N 3.29Å; W118-Q120 PolarHBondContact O-N 2.82Å; W118-I121 PolarHBondContact O-N 3.21Å; W118-Y122 AromaticContact CD1-CD2 3.9Å; W118-Y122 AromaticContact NE1-CD2 3.93Å; W118-Y122 PolarHBondContact O-N 3.32Å; W118-D125 PolarHBondContact NE1-OD2 3.42Å; W118-D125 VanDerWaalsContact NE1-OD2 3.07Å; W118-F126 HydrophobicContact CB-CE2 4.35Å; W118-F126 HydrophobicContact CB-CZ 4.08Å; W118-F126 AromaticContact CD1-CE2 3.77Å; W118-F126 HydrophobicContact CD2-CE2 4.18Å; W118-F126 AromaticContact CD2-CZ 3.67Å; W118-F126 HydrophobicContact CD2-CZ 3.67Å; W118-F126 HydrophobicContact CE3-CZ 4.11Å; W118-F126 AromaticContact CG-CE2 3.84Å; W118-F126 HydrophobicContact CG-CE2 3.84Å; W118-F126 AromaticContact CG-CZ 3.66Å; W118-F126 HydrophobicContact CG-CZ 3.66Å; W118-F126 AromaticContact NE1-CE2 3.98Å; W118-L132 HydrophobicContact CH2-CD1 4.11Å; W118-L132 HydrophobicContact CZ2-CD1 4.41Å; W118-L132 HydrophobicContact CZ2-CD2 4.42Å
119M73Confident74Confident34 Ų3432.6 Ų32.617%0.16718%0.176CC..Hα-helixtrans-64.3-32.5174.8-75177.956.200113.4F115 N116 L117 P123 F126 W156F115-M119 WeakPolarHBondContact O-CB 3.21Å; F115-M119 WeakPolarHBondContact O-CG 3.45Å; F115-M119 PolarHBondContact O-N 3.25Å; N116-M119 PolarHBondContact O-N 2.92Å; L117-M119 VanDerWaalsContact C-N 3.34Å; L117-M119 PolarHBondContact O-N 3.36Å; M119-P123 WeakPolarHBondContact O-CA 3.17Å; M119-P123 WeakPolarHBondContact O-CB 3.44Å; M119-P123 VanDerWaalsContact O-CD 3.27Å; M119-P123 WeakPolarHBondContact O-CD 3.4Å; M119-P123 VanDerWaalsContact O-N 3.11Å; M119-F126 HydrophobicContact CB-CD2 4.32Å; M119-F126 HydrophobicContact CB-CE2 4.19Å; M119-F126 HydrophobicContact CG-CD1 3.94Å; M119-F126 HydrophobicContact CG-CD2 3.51Å; M119-F126 HydrophobicContact CG-CE1 3.85Å; M119-F126 HydrophobicContact CG-CE2 3.47Å; M119-F126 VanDerWaalsContact CG-CE2 3.47Å; M119-F126 HydrophobicContact CG-CG 3.77Å; M119-F126 HydrophobicContact CG-CZ 3.64Å; M119-F126 HydrophobicContact SD-CD1 4.48Å; M119-W156 HydrophobicContact CE-CB 3.83Å; M119-W156 HydrophobicContact CE-CD2 3.75Å; M119-W156 HydrophobicContact CE-CE3 3.46Å; M119-W156 VanDerWaalsContact CE-CE3 3.46Å; M119-W156 HydrophobicContact CE-CG 3.93Å; M119-W156 HydrophobicContact CE-CZ3 4.26Å; M119-W156 HydrophobicContact SD-CD2 3.69Å; M119-W156 HydrophobicContact SD-CE3 3.43Å; M119-W156 HydrophobicContact SD-CG 4.29Å; M119-W156 HydrophobicContact SD-CH2 4.24Å; M119-W156 HydrophobicContact SD-CZ2 4.45Å; M119-W156 HydrophobicContact SD-CZ3 3.73Å
120Q69.4Low73.5Confident108 Ų10833 Ų3351%0.50518%0.181SC..Hα-helixtrans-68.8-40.3175.3-73.41759.700111.8N116 L117 W118N116-Q120 VanDerWaalsContact O-CG 3.31Å; N116-Q120 WeakPolarHBondContact O-CG 3.2Å; N116-Q120 PolarHBondContact O-N 3.44Å; L117-Q120 WeakPolarHBondContact O-CB 3.49Å; L117-Q120 PolarHBondContact O-N 2.72Å; L117-Q120 VanDerWaalsContact O-N 3.13Å; W118-Q120 VanDerWaalsContact C-N 3.29Å; W118-Q120 PolarHBondContact O-N 2.82Å
121I70.4Confident73.2Confident15 Ų1539 Ų398%0.07721%0.209CC..Hα-helixtrans-78.7-44.3-178.7-63.5175000111.2W4 I78 V81 V82 L117 W118W4-I121 HydrophobicContact CH2-CD1 4.43Å; I78-I121 HydrophobicContact CG2-CD1 4.18Å; V81-I121 HydrophobicContact CB-CD1 4.33Å; V81-I121 HydrophobicContact CG1-CB 4.24Å; V81-I121 HydrophobicContact CG1-CD1 3.93Å; V81-I121 HydrophobicContact CG1-CG2 4.44Å; V82-I121 HydrophobicContact CG2-CG2 4.26Å; L117-I121 HydrophobicContact CD1-CD1 3.99Å; L117-I121 HydrophobicContact CD1-CG1 4.34Å; L117-I121 HydrophobicContact CG-CD1 3.98Å; L117-I121 WeakPolarHBondContact O-CG1 3.4Å; L117-I121 PolarHBondContact O-N 2.97Å; W118-I121 PolarHBondContact O-N 3.21Å
122Y72.2Confident72.6Confident11 Ų1139 Ų394%0.04321%0.209CC..  trans-129.965.6-176.7-59.4-45.9000112.8V81 W118 Q124 D125 F126 I386V81-Y122 HydrophobicContact CG1-CD2 4.35Å; V81-Y122 HydrophobicContact CG1-CE2 4.47Å; W118-Y122 AromaticContact CD1-CD2 3.9Å; W118-Y122 AromaticContact NE1-CD2 3.93Å; W118-Y122 PolarHBondContact O-N 3.32Å; Y122-Q124 VanDerWaalsContact CD1-NE2 3.27Å; Y122-Q124 PolarHBondContact O-N 3.07Å; Y122-D125 WeakPolarHBondContact CB-OD2 3.29Å; Y122-D125 PolarHBondContact O-N 3.29Å; Y122-D125 VanDerWaalsContact O-N 3.13Å; Y122-F126 WeakPolarHBondContact O-CD2 3.22Å; Y122-I386 VanDerWaalsContact OH-CD1 3.32Å; Y122-I386 WeakPolarHBondContact OH-CD1 3.43Å
123P67.8Low72.2Confident75 Ų7539.4 Ų39.449%0.48721%0.212SC..THydrogen-bonded Turntrans-58.6-27.1179.124.1-34.3000112.7M119 D125 F126M119-P123 WeakPolarHBondContact O-CA 3.17Å; M119-P123 WeakPolarHBondContact O-CB 3.44Å; M119-P123 VanDerWaalsContact O-CD 3.27Å; M119-P123 WeakPolarHBondContact O-CD 3.4Å; M119-P123 VanDerWaalsContact O-N 3.11Å; P123-D125 VanDerWaalsContact C-N 3.3Å; P123-D125 PolarHBondContact O-N 3.38Å; P123-F126 PolarHBondContact O-N 3.13Å
124Q63Low72.1Confident16 Ų1642.8 Ų42.88%0.07523%0.229CC..THydrogen-bonded Turntrans-65.1-30.9-17970.1-75.5-7.500113.5Y122 F126 S127 I128 Q217Y122-Q124 VanDerWaalsContact CD1-NE2 3.27Å; Y122-Q124 PolarHBondContact O-N 3.07Å; Q124-F126 PolarHBondContact O-N 3.4Å; Q124-S127 WeakPolarHBondContact CA-OG 3.47Å; Q124-S127 PolarHBondContact O-N 2.82Å; Q124-S127 VanDerWaalsContact O-N 3.09Å; Q124-S127 PolarHBondContact O-OG 3.14Å; Q124-I128 HydrophobicContact CB-CD1 4.24Å; Q124-I128 PolarHBondContact O-N 3.37Å; Q124-Q217 HydrophobicContact CG-CG 4.44Å
125D66.3Low71.9Confident6 Ų642.7 Ų42.73%0.03223%0.229CC..Hα-helixtrans-60.1-35.5-179-72.7-8.9000110.8W118 Y122 P123 R129 L132W118-D125 PolarHBondContact NE1-OD2 3.42Å; W118-D125 VanDerWaalsContact NE1-OD2 3.07Å; Y122-D125 WeakPolarHBondContact CB-OD2 3.29Å; Y122-D125 PolarHBondContact O-N 3.29Å; Y122-D125 VanDerWaalsContact O-N 3.13Å; P123-D125 VanDerWaalsContact C-N 3.3Å; P123-D125 PolarHBondContact O-N 3.38Å; D125-R129 WeakPolarHBondContact O-CB 3.46Å; D125-R129 PolarHBondContact O-N 3.08Å; D125-L132 HydrophobicContact CB-CD2 3.79Å
126F68.6Low71.7Confident23 Ų2342.1 Ų42.110%0.10123%0.227CC..Hα-helixtrans-91-0.1-177.7-54.2-95000113.8F115 W118 M119 Y122 P123 Q124 L132 C133 I136 W156F115-F126 HydrophobicContact CD1-CE1 4.29Å; F115-F126 HydrophobicContact CD1-CZ 4.48Å; W118-F126 HydrophobicContact CB-CE2 4.35Å; W118-F126 HydrophobicContact CB-CZ 4.08Å; W118-F126 AromaticContact CD1-CE2 3.77Å; W118-F126 HydrophobicContact CD2-CE2 4.18Å; W118-F126 AromaticContact CD2-CZ 3.67Å; W118-F126 HydrophobicContact CD2-CZ 3.67Å; W118-F126 HydrophobicContact CE3-CZ 4.11Å; W118-F126 AromaticContact CG-CE2 3.84Å; W118-F126 HydrophobicContact CG-CE2 3.84Å; W118-F126 AromaticContact CG-CZ 3.66Å; W118-F126 HydrophobicContact CG-CZ 3.66Å; W118-F126 AromaticContact NE1-CE2 3.98Å; M119-F126 HydrophobicContact CB-CD2 4.32Å; M119-F126 HydrophobicContact CB-CE2 4.19Å; M119-F126 HydrophobicContact CG-CD1 3.94Å; M119-F126 HydrophobicContact CG-CD2 3.51Å; M119-F126 HydrophobicContact CG-CE1 3.85Å; M119-F126 HydrophobicContact CG-CE2 3.47Å; M119-F126 VanDerWaalsContact CG-CE2 3.47Å; M119-F126 HydrophobicContact CG-CG 3.77Å; M119-F126 HydrophobicContact CG-CZ 3.64Å; M119-F126 HydrophobicContact SD-CD1 4.48Å; Y122-F126 WeakPolarHBondContact O-CD2 3.22Å; P123-F126 PolarHBondContact O-N 3.13Å; Q124-F126 PolarHBondContact O-N 3.4Å; F126-L132 HydrophobicContact CD1-CD2 4.19Å; F126-L132 HydrophobicContact CE1-CD2 4.21Å; F126-L132 HydrophobicContact CG-CD2 4.47Å; F126-L132 HydrophobicContact CZ-CD2 4.46Å; F126-C133 PolarHBondContact O-SG 3.34Å; F126-C133 VanDerWaalsContact O-SG 3.35Å; F126-I136 HydrophobicContact CD1-CD1 3.45Å; F126-I136 VanDerWaalsContact CD1-CD1 3.45Å; F126-I136 HydrophobicContact CE1-CD1 3.28Å; F126-W156 HydrophobicContact CB-CZ3 4.23Å; F126-W156 HydrophobicContact CD1-CH2 4.17Å; F126-W156 AromaticContact CD1-CZ3 3.8Å; F126-W156 HydrophobicContact CD1-CZ3 3.8Å; F126-W156 HydrophobicContact CG-CZ3 4.34Å
127S59.2Low72Confident90 Ų9043.2 Ų43.263%0.62923%0.233SC*.Hα-helixtrans-109.7-16.4178.666.70000113.8Q124Q124-S127 WeakPolarHBondContact CA-OG 3.47Å; Q124-S127 PolarHBondContact O-N 2.82Å; Q124-S127 VanDerWaalsContact O-N 3.09Å; Q124-S127 PolarHBondContact O-OG 3.14Å
128I60.1Low72.4Confident58 Ų5848.4 Ų48.430%0.29725%0.252SS..Hα-helixtrans-121.1-33.4-169.2-64.5170.8000111.6Q124 S130 Y214Q124-I128 HydrophobicContact CB-CD1 4.24Å; Q124-I128 PolarHBondContact O-N 3.37Å; I128-S130 PolarHBondContact O-N 3.12Å; I128-Y214 HydrophobicContact CB-CE1 4.37Å; I128-Y214 HydrophobicContact CD1-CD1 3.49Å; I128-Y214 VanDerWaalsContact CD1-CD1 3.49Å; I128-Y214 HydrophobicContact CD1-CD2 4.38Å; I128-Y214 HydrophobicContact CD1-CE1 3.09Å; I128-Y214 HydrophobicContact CD1-CE2 4.03Å; I128-Y214 HydrophobicContact CD1-CG 4.15Å; I128-Y214 HydrophobicContact CG1-CE1 4.21Å; I128-Y214 HydrophobicContact CG2-CE1 3.84Å; I128-Y214 WeakPolarHBondContact CG2-OH 3.37Å
129R67Low72.6Confident40 Ų4048.3 Ų48.315%0.15125%0.252CS..  trans-98.393.9-171.8-57.7168.862.9174.33.3110E85 S90 D125 E131 L132 C133 R219E85-R129 IonicContact OE1-CZ 2.76Å; E85-R129 IonicContact OE1-NH1 2.95Å; E85-R129 PolarHBondContact OE1-NH1 3.35Å; E85-R129 IonicContact OE1-NH2 2.9Å; E85-R129 PolarHBondContact OE1-NH2 2.83Å; S90-R129 PolarHBondContact OG-NH1 3.08Å; S90-R129 PolarHBondContact OG-NH2 3.32Å; D125-R129 WeakPolarHBondContact O-CB 3.46Å; D125-R129 PolarHBondContact O-N 3.08Å; R129-E131 VanDerWaalsContact C-N 3.26Å; R129-E131 PolarHBondContact O-N 3.06Å; R129-L132 HydrophobicContact CB-CB 3.87Å; R129-L132 WeakPolarHBondContact O-CB 3.2Å; R129-L132 PolarHBondContact O-N 3.24Å; R129-L132 VanDerWaalsContact O-N 3.08Å; R129-C133 PolarHBondContact O-N 3.32Å; R129-R219 VanDerWaalsContact NH2-NH2 3.1Å
130S72.2Confident73Confident76 Ų7649.4 Ų49.453%0.53125%0.254SS..Hα-helixtrans-53.7-43.4178.152.20000112.3I128 L132 C133 E134I128-S130 PolarHBondContact O-N 3.12Å; S130-L132 VanDerWaalsContact C-N 3.26Å; S130-L132 PolarHBondContact O-N 2.86Å; S130-C133 PolarHBondContact O-N 3.49Å; S130-C133 VanDerWaalsContact O-N 3.13Å; S130-E134 WeakPolarHBondContact O-CG 3.25Å; S130-E134 PolarHBondContact O-N 3.26Å
131E80.4Confident73.6Confident129 Ų12950.7 Ų50.760%0.60326%0.26SS*.Hα-helixtrans-58.2-35.8178.6-61.1172.5-177.600113.2V91 R129 A135V91-E131 HydrophobicContact CG2-CB 4.23Å; R129-E131 VanDerWaalsContact C-N 3.26Å; R129-E131 PolarHBondContact O-N 3.06Å; E131-A135 WeakPolarHBondContact O-CB 3.41Å; E131-A135 PolarHBondContact O-N 3.06Å; E131-A135 VanDerWaalsContact O-N 3.09Å
132L75.4Confident74.5Confident0 Ų052.8 Ų52.80%027%0.267CS..Hα-helixtrans-70.4-45178-170.376.1000110.5S90 V91 I94 W118 D125 F126 R129 S130 E134 A135 I136S90-L132 VanDerWaalsContact CB-CD1 3.42Å; V91-L132 HydrophobicContact CG2-CD1 4.43Å; I94-L132 HydrophobicContact CD1-CD1 3.36Å; I94-L132 HydrophobicContact CD1-CG 4.02Å; I94-L132 HydrophobicContact CG1-CD1 4.45Å; W118-L132 HydrophobicContact CH2-CD1 4.11Å; W118-L132 HydrophobicContact CZ2-CD1 4.41Å; W118-L132 HydrophobicContact CZ2-CD2 4.42Å; D125-L132 HydrophobicContact CB-CD2 3.79Å; F126-L132 HydrophobicContact CD1-CD2 4.19Å; F126-L132 HydrophobicContact CE1-CD2 4.21Å; F126-L132 HydrophobicContact CG-CD2 4.47Å; F126-L132 HydrophobicContact CZ-CD2 4.46Å; R129-L132 HydrophobicContact CB-CB 3.87Å; R129-L132 WeakPolarHBondContact O-CB 3.2Å; R129-L132 PolarHBondContact O-N 3.24Å; R129-L132 VanDerWaalsContact O-N 3.08Å; S130-L132 VanDerWaalsContact C-N 3.26Å; S130-L132 PolarHBondContact O-N 2.86Å; L132-E134 VanDerWaalsContact C-N 3.34Å; L132-A135 PolarHBondContact O-N 3.43Å; L132-I136 HydrophobicContact CG-CD1 4.31Å; L132-I136 WeakPolarHBondContact O-CG1 3.5Å; L132-I136 PolarHBondContact O-N 3.49Å; L132-I136 VanDerWaalsContact O-N 3.09Å
133C74.4Confident75Confident34 Ų3452.2 Ų52.223%0.2327%0.265CS..Hα-helixtrans-61.5-44.3177-62.30000111.1F126 R129 S130 A135 I136 D137F126-C133 PolarHBondContact O-SG 3.34Å; F126-C133 VanDerWaalsContact O-SG 3.35Å; R129-C133 PolarHBondContact O-N 3.32Å; S130-C133 PolarHBondContact O-N 3.49Å; S130-C133 VanDerWaalsContact O-N 3.13Å; C133-A135 VanDerWaalsContact C-N 3.33Å; C133-A135 PolarHBondContact O-N 3.35Å; C133-I136 PolarHBondContact O-N 3.25Å; C133-D137 PolarHBondContact O-N 3.03Å
134E79.5Confident75.6Confident107 Ų10752 Ų5250%0.527%0.265SS..Hα-helixtrans-59.2-42.1175.7-72.9171.8-160.200112.3S130 L132 I136 D137 R138S130-E134 WeakPolarHBondContact O-CG 3.25Å; S130-E134 PolarHBondContact O-N 3.26Å; L132-E134 VanDerWaalsContact C-N 3.34Å; E134-I136 VanDerWaalsContact C-N 3.35Å; E134-I136 PolarHBondContact O-N 3.32Å; E134-D137 PolarHBondContact O-N 3.36Å; E134-R138 WeakPolarHBondContact O-CG 3.3Å; E134-R138 PolarHBondContact O-N 3.44Å
135A80.6Confident76.4Confident2 Ų254.2 Ų54.22%0.01729%0.292CS..Hα-helixtrans-63.8-39.317700000112.5V91 I94 E131 L132 C133 R138 L139V91-A135 HydrophobicContact CG1-CB 4.14Å; I94-A135 HydrophobicContact CB-CB 4.24Å; I94-A135 HydrophobicContact CD1-CB 3.73Å; I94-A135 HydrophobicContact CG2-CB 4Å; E131-A135 WeakPolarHBondContact O-CB 3.41Å; E131-A135 PolarHBondContact O-N 3.06Å; E131-A135 VanDerWaalsContact O-N 3.09Å; L132-A135 PolarHBondContact O-N 3.43Å; C133-A135 VanDerWaalsContact C-N 3.33Å; C133-A135 PolarHBondContact O-N 3.35Å; A135-R138 PolarHBondContact O-N 3.5Å; A135-L139 PolarHBondContact O-N 3.34Å; A135-L139 VanDerWaalsContact O-N 3.13Å
136I79.4Confident77.2Confident3 Ų358.6 Ų58.62%0.01532%0.316CS..Hα-helixtrans-68.5-40.4175.7-62.9162.3000110.9I94 F115 F126 L132 C133 E134 R138 L139 R140 W156I94-I136 HydrophobicContact CD1-CD1 4.33Å; I94-I136 HydrophobicContact CD1-CG1 3.66Å; I94-I136 HydrophobicContact CG1-CG1 4.45Å; F115-I136 HydrophobicContact CD1-CD1 4.45Å; F115-I136 HydrophobicContact CE1-CD1 4.41Å; F115-I136 HydrophobicContact CE1-CG1 4.13Å; F126-I136 HydrophobicContact CD1-CD1 3.45Å; F126-I136 VanDerWaalsContact CD1-CD1 3.45Å; F126-I136 HydrophobicContact CE1-CD1 3.28Å; L132-I136 HydrophobicContact CG-CD1 4.31Å; L132-I136 WeakPolarHBondContact O-CG1 3.5Å; L132-I136 PolarHBondContact O-N 3.49Å; L132-I136 VanDerWaalsContact O-N 3.09Å; C133-I136 PolarHBondContact O-N 3.25Å; E134-I136 VanDerWaalsContact C-N 3.35Å; E134-I136 PolarHBondContact O-N 3.32Å; I136-R138 VanDerWaalsContact C-N 3.31Å; I136-R138 PolarHBondContact O-N 3.24Å; I136-L139 WeakPolarHBondContact O-CB 3.41Å; I136-L139 PolarHBondContact O-N 2.91Å; I136-R140 HydrophobicContact CG2-CG 4.21Å; I136-R140 VanDerWaalsContact O-CG 3.32Å; I136-R140 WeakPolarHBondContact O-CG 3.47Å; I136-R140 PolarHBondContact O-N 3.05Å; I136-W156 HydrophobicContact CB-CH2 4.47Å; I136-W156 HydrophobicContact CD1-CH2 3.95Å; I136-W156 HydrophobicContact CG2-CH2 3.76Å; I136-W156 HydrophobicContact CG2-CZ2 3.84Å
137D78.4Confident77.7Confident72 Ų7258.2 Ų58.239%0.38532%0.315SS..Hα-helixtrans-63.9-39178.2-72.4-26000111.1C133 E134 R140 Q141C133-D137 PolarHBondContact O-N 3.03Å; E134-D137 PolarHBondContact O-N 3.36Å; D137-R140 PolarHBondContact O-N 3.12Å; D137-Q141 WeakPolarHBondContact O-CB 3.47Å; D137-Q141 VanDerWaalsContact O-CG 3.25Å; D137-Q141 WeakPolarHBondContact O-CG 3.36Å; D137-Q141 PolarHBondContact O-N 3.07Å
138R84Confident78Confident114 Ų11459.5 Ų59.543%0.4333%0.33SS..Hα-helixtrans-58.6-48170.8-71.8-169.7-60.1-97.37.4112.1E134 A135 I136 R140 Q141 W142E134-R138 WeakPolarHBondContact O-CG 3.3Å; E134-R138 PolarHBondContact O-N 3.44Å; A135-R138 PolarHBondContact O-N 3.5Å; I136-R138 VanDerWaalsContact C-N 3.31Å; I136-R138 PolarHBondContact O-N 3.24Å; R138-R140 VanDerWaalsContact C-N 3.33Å; R138-R140 PolarHBondContact O-N 3.35Å; R138-Q141 PolarHBondContact O-N 2.94Å; R138-W142 PolarHBondContact O-N 3.5Å
139L83.5Confident78.3Confident2 Ų260.9 Ų60.91%0.0135%0.345CS..Hα-helixtrans-59.9-42.8177.5178.267.6000111.7I94 F98 L101 W108 V111 F115 A135 I136 W142 A143I94-L139 HydrophobicContact CG2-CB 4.49Å; I94-L139 HydrophobicContact CG2-CD2 4.4Å; F98-L139 HydrophobicContact CB-CD1 3.76Å; F98-L139 HydrophobicContact CD2-CD1 3.49Å; F98-L139 VanDerWaalsContact CD2-CD1 3.49Å; F98-L139 HydrophobicContact CE2-CD1 4.35Å; F98-L139 HydrophobicContact CG-CD1 3.74Å; L101-L139 HydrophobicContact CD2-CD1 3.87Å; W108-L139 HydrophobicContact CZ3-CG 4.26Å; V111-L139 HydrophobicContact CG1-CD2 4.05Å; F115-L139 HydrophobicContact CE2-CD2 3.57Å; F115-L139 HydrophobicContact CZ-CD2 4.02Å; A135-L139 PolarHBondContact O-N 3.34Å; A135-L139 VanDerWaalsContact O-N 3.13Å; I136-L139 WeakPolarHBondContact O-CB 3.41Å; I136-L139 PolarHBondContact O-N 2.91Å; L139-W142 PolarHBondContact O-N 2.99Å; L139-A143 WeakPolarHBondContact O-CB 3.38Å; L139-A143 PolarHBondContact O-N 3.16Å
140R80.9Confident78Confident57 Ų5761.6 Ų61.622%0.21535%0.349CS..Hα-helixtrans-67.7-42.3179.1-71174.695.2-178.18.9112.2W108 I136 D137 R138 W142 A143 S144 T154W108-R140 HydrophobicContact CH2-CG 4.33Å; I136-R140 HydrophobicContact CG2-CG 4.21Å; I136-R140 VanDerWaalsContact O-CG 3.32Å; I136-R140 WeakPolarHBondContact O-CG 3.47Å; I136-R140 PolarHBondContact O-N 3.05Å; D137-R140 PolarHBondContact O-N 3.12Å; R138-R140 VanDerWaalsContact C-N 3.33Å; R138-R140 PolarHBondContact O-N 3.35Å; R140-W142 VanDerWaalsContact C-N 3.34Å; R140-A143 PolarHBondContact O-N 3.05Å; R140-S144 WeakPolarHBondContact O-CB 3.4Å; R140-S144 PolarHBondContact O-N 3.21Å; R140-T154 PolarHBondContact NH2-O 3.24Å; R140-T154 PolarHBondContact NH2-OG1 2.59Å
141Q83.3Confident77.2Confident135 Ų13561 Ų6163%0.63134%0.344SS*.Hα-helixtrans-59.7-47.2176.2-75.417221.800110.6D137 R138 A143 S144 G145D137-Q141 WeakPolarHBondContact O-CB 3.47Å; D137-Q141 VanDerWaalsContact O-CG 3.25Å; D137-Q141 WeakPolarHBondContact O-CG 3.36Å; D137-Q141 PolarHBondContact O-N 3.07Å; R138-Q141 PolarHBondContact O-N 2.94Å; Q141-A143 PolarHBondContact O-N 2.98Å; Q141-S144 PolarHBondContact O-N 3.18Å; Q141-S144 PolarHBondContact O-OG 3.32Å; Q141-G145 PolarHBondContact O-N 3.49Å
142W87.5Confident75.9Confident58 Ų5859.7 Ų59.722%0.2235%0.35CS..Hα-helixtrans-60.5-45.8175.4-178.494.9000112.1F98 L101 E102 R138 L139 R140 S144 G145 N146 I147F98-W142 HydrophobicContact CD2-CD2 4.43Å; F98-W142 HydrophobicContact CD2-CE3 4.41Å; F98-W142 HydrophobicContact CE2-CB 3.89Å; F98-W142 AromaticContact CE2-CD1 3.8Å; F98-W142 AromaticContact CE2-CD2 3.39Å; F98-W142 HydrophobicContact CE2-CD2 3.39Å; F98-W142 AromaticContact CE2-CE2 3.81Å; F98-W142 AromaticContact CE2-CE3 3.76Å; F98-W142 HydrophobicContact CE2-CE3 3.76Å; F98-W142 AromaticContact CE2-CG 3.42Å; F98-W142 HydrophobicContact CE2-CG 3.42Å; F98-W142 VanDerWaalsContact CE2-CG 3.42Å; F98-W142 HydrophobicContact CE2-CZ3 4.47Å; F98-W142 AromaticContact CE2-NE1 3.97Å; F98-W142 HydrophobicContact CZ-CB 3.8Å; F98-W142 AromaticContact CZ-CD1 3.58Å; F98-W142 AromaticContact CZ-CD2 4Å; F98-W142 HydrophobicContact CZ-CD2 4Å; F98-W142 AromaticContact CZ-CG 3.51Å; F98-W142 HydrophobicContact CZ-CG 3.51Å; L101-W142 HydrophobicContact CD2-CE3 4.24Å; L101-W142 HydrophobicContact CD2-CZ3 3.81Å; L101-W142 HydrophobicContact CG-CZ3 3.93Å; E102-W142 HydrophobicContact CB-CH2 4.49Å; E102-W142 HydrophobicContact CB-CZ2 4.29Å; E102-W142 HydrophobicContact CG-CH2 4.12Å; E102-W142 HydrophobicContact CG-CZ2 3.68Å; R138-W142 PolarHBondContact O-N 3.5Å; L139-W142 PolarHBondContact O-N 2.99Å; R140-W142 VanDerWaalsContact C-N 3.34Å; W142-S144 VanDerWaalsContact C-N 3.29Å; W142-S144 PolarHBondContact O-N 3.45Å; W142-G145 PolarHBondContact O-N 3.26Å; W142-N146 HydrophobicContact CD2-CB 4.38Å; W142-N146 HydrophobicContact CE3-CB 4.5Å; W142-N146 HydrophobicContact CH2-CB 4.15Å; W142-N146 HydrophobicContact CZ2-CB 4.04Å; W142-N146 HydrophobicContact CZ3-CB 4.38Å; W142-N146 PolarHBondContact NE1-ND2 2.95Å; W142-N146 PolarHBondContact O-N 2.78Å; W142-N146 PolarHBondContact O-ND2 3.29Å; W142-I147 HydrophobicContact CZ3-CD1 4.09Å
143A82.8Confident74.5Confident0 Ų061.2 Ų61.20%036%0.36CS..Hα-helixtrans-62.3-37.1-179.700000112.3W108 L139 R140 Q141 G145 N146 I147 F150W108-A143 HydrophobicContact CD2-CB 4.12Å; W108-A143 HydrophobicContact CE3-CB 3.81Å; W108-A143 HydrophobicContact CH2-CB 3.53Å; W108-A143 HydrophobicContact CZ2-CB 3.88Å; W108-A143 HydrophobicContact CZ3-CB 3.5Å; W108-A143 VanDerWaalsContact CZ3-CB 3.5Å; L139-A143 WeakPolarHBondContact O-CB 3.38Å; L139-A143 PolarHBondContact O-N 3.16Å; R140-A143 PolarHBondContact O-N 3.05Å; Q141-A143 PolarHBondContact O-N 2.98Å; A143-G145 VanDerWaalsContact C-N 3.26Å; A143-G145 PolarHBondContact O-N 3.09Å; A143-N146 PolarHBondContact O-N 2.78Å; A143-I147 HydrophobicContact CB-CD1 3.73Å; A143-I147 WeakPolarHBondContact O-CB 3.5Å; A143-I147 PolarHBondContact O-N 3.22Å; A143-F150 HydrophobicContact CB-CD2 3.84Å; A143-F150 HydrophobicContact CB-CE2 3.88Å
144S80.7Confident72.9Confident69 Ų6960.9 Ų60.948%0.48336%0.357SS..Hα-helixtrans-63.6-30.2178.774.80000113.8R140 Q141 W142R140-S144 WeakPolarHBondContact O-CB 3.4Å; R140-S144 PolarHBondContact O-N 3.21Å; Q141-S144 PolarHBondContact O-N 3.18Å; Q141-S144 PolarHBondContact O-OG 3.32Å; W142-S144 VanDerWaalsContact C-N 3.29Å; W142-S144 PolarHBondContact O-N 3.45Å
145G81Confident70.9Confident64 Ų6456.7 Ų56.766%0.6634%0.34SS*.Hα-helixtrans-87-21.9177.700000114.4Q141 W142 A143Q141-G145 PolarHBondContact O-N 3.49Å; W142-G145 PolarHBondContact O-N 3.26Å; A143-G145 VanDerWaalsContact C-N 3.26Å; A143-G145 PolarHBondContact O-N 3.09Å
146N83.1Confident69.3Low98 Ų9859.5 Ų59.552%0.52435%0.35SS..Hα-helixtrans-119.3-14.5-166.6-66.5-72.7000115W142 A143W142-N146 HydrophobicContact CD2-CB 4.38Å; W142-N146 HydrophobicContact CE3-CB 4.5Å; W142-N146 HydrophobicContact CH2-CB 4.15Å; W142-N146 HydrophobicContact CZ2-CB 4.04Å; W142-N146 HydrophobicContact CZ3-CB 4.38Å; W142-N146 PolarHBondContact NE1-ND2 2.95Å; W142-N146 PolarHBondContact O-N 2.78Å; W142-N146 PolarHBondContact O-ND2 3.29Å; A143-N146 PolarHBondContact O-N 2.78Å
147I78.3Confident67.2Low15 Ų1563.2 Ų63.28%0.07738%0.377CS..  trans-112.7112.9-176.8-65.4159.3000109.8L101 P105 W108 W142 A143 S149 F150L101-I147 HydrophobicContact CD1-CD1 4.43Å; L101-I147 HydrophobicContact CD2-CD1 4.22Å; P105-I147 HydrophobicContact CB-CG1 4.11Å; W108-I147 HydrophobicContact CB-CD1 3.64Å; W108-I147 HydrophobicContact CB-CG2 4.26Å; W108-I147 HydrophobicContact CD2-CD1 3.92Å; W108-I147 HydrophobicContact CE3-CD1 4.04Å; W108-I147 HydrophobicContact CG-CD1 3.77Å; W108-I147 HydrophobicContact CG-CG2 4.35Å; W142-I147 HydrophobicContact CZ3-CD1 4.09Å; A143-I147 HydrophobicContact CB-CD1 3.73Å; A143-I147 WeakPolarHBondContact O-CB 3.5Å; A143-I147 PolarHBondContact O-N 3.22Å; I147-S149 WeakPolarHBondContact CG2-OG 3.43Å; I147-S149 PolarHBondContact O-N 3.22Å; I147-F150 HydrophobicContact CB-CB 4.4Å; I147-F150 WeakPolarHBondContact O-CB 3.4Å; I147-F150 PolarHBondContact O-N 3.26Å
148A65.9Low65.1Low116 Ų11670.3 Ų70.396%0.95940%0.398SS*.THydrogen-bonded Turntrans-61.9-28.3-177.600000113.8F150A148-F150 VanDerWaalsContact C-N 3.3Å
149S65.4Low62.6Low87 Ų8775.6 Ų75.661%0.60842%0.419SS*.THydrogen-bonded Turntrans-90.414.7175.860.70000113.6I147 C151I147-S149 WeakPolarHBondContact CG2-OG 3.43Å; I147-S149 PolarHBondContact O-N 3.22Å; S149-C151 PolarHBondContact O-N 3.34Å
150F61.1Low59.9Low55 Ų5579.9 Ų79.924%0.24145%0.45CS..  trans-60.4110-178.9-179.3-95.5000110.6W108 A143 I147 A148W108-F150 AromaticContact CE2-CD2 3.93Å; W108-F150 HydrophobicContact CH2-CE2 4.27Å; W108-F150 AromaticContact CZ2-CD2 3.83Å; W108-F150 HydrophobicContact CZ2-CD2 3.83Å; W108-F150 AromaticContact CZ2-CE2 3.57Å; W108-F150 HydrophobicContact CZ2-CE2 3.57Å; W108-F150 AromaticContact NE1-CD2 3.88Å; A143-F150 HydrophobicContact CB-CD2 3.84Å; A143-F150 HydrophobicContact CB-CE2 3.88Å; I147-F150 HydrophobicContact CB-CB 4.4Å; I147-F150 WeakPolarHBondContact O-CB 3.4Å; I147-F150 PolarHBondContact O-N 3.26Å; A148-F150 VanDerWaalsContact C-N 3.3Å
151C56.5Low57.3Low63 Ų6379.1 Ų79.143%0.42645%0.453SS..  trans-90.9114.7171.5-1570000108.8S149 S153S149-C151 PolarHBondContact O-N 3.34Å; C151-S153 PolarHBondContact O-N 3.06Å; C151-S153 VanDerWaalsContact O-N 3.12Å; C151-S153 VanDerWaalsContact SG-CB 3.52Å
152S53.2Low54.6Low103 Ų10380.1 Ų80.172%0.7246%0.461SS*.SBendtrans-61.6-15.5171.463.30000112.5T154S152-T154 PolarHBondContact O-N 3.39Å
153S44.2Very low51.6Low31 Ų3184.4 Ų84.422%0.21748%0.481CS..  trans-7465.2174-176.30000112.1Y43 S44 C151Y43-S153 PolarHBondContact O-OG 3.46Å; S44-S153 WeakPolarHBondContact CA-OG 3.45Å; C151-S153 PolarHBondContact O-N 3.06Å; C151-S153 VanDerWaalsContact O-N 3.12Å; C151-S153 VanDerWaalsContact SG-CB 3.52Å
154T41.3Very low49Very low27 Ų2791.7 Ų91.717%0.16652%0.515CS..  trans-116.986.2150.8310000105.2V112 R140 S152 W156V112-T154 HydrophobicContact CG1-CG2 3.53Å; V112-T154 HydrophobicContact CG2-CG2 4.43Å; R140-T154 PolarHBondContact NH2-O 3.24Å; R140-T154 PolarHBondContact NH2-OG1 2.59Å; S152-T154 PolarHBondContact O-N 3.39Å; T154-W156 PolarHBondContact O-NE1 3.23Å
155S38Very low46.5Very low20 Ų2093.3 Ų93.314%0.1452%0.524CS..  trans-93.6136.8163.81550000109.9L45 S157L45-S155 WeakPolarHBondContact CB-OG 3.5Å; L45-S155 WeakPolarHBondContact O-CB 3.3Å; S155-S157 PolarHBondContact O-N 3.41Å
156W46.3Very low44Very low61 Ų6198.5 Ų98.523%0.23154%0.536CS..  trans-94.187.8-163.6-70.831.3000105.5M119 F126 I136 T154 R158M119-W156 HydrophobicContact CE-CB 3.83Å; M119-W156 HydrophobicContact CE-CD2 3.75Å; M119-W156 HydrophobicContact CE-CE3 3.46Å; M119-W156 VanDerWaalsContact CE-CE3 3.46Å; M119-W156 HydrophobicContact CE-CG 3.93Å; M119-W156 HydrophobicContact CE-CZ3 4.26Å; M119-W156 HydrophobicContact SD-CD2 3.69Å; M119-W156 HydrophobicContact SD-CE3 3.43Å; M119-W156 HydrophobicContact SD-CG 4.29Å; M119-W156 HydrophobicContact SD-CH2 4.24Å; M119-W156 HydrophobicContact SD-CZ2 4.45Å; M119-W156 HydrophobicContact SD-CZ3 3.73Å; F126-W156 HydrophobicContact CB-CZ3 4.23Å; F126-W156 HydrophobicContact CD1-CH2 4.17Å; F126-W156 AromaticContact CD1-CZ3 3.8Å; F126-W156 HydrophobicContact CD1-CZ3 3.8Å; F126-W156 HydrophobicContact CG-CZ3 4.34Å; I136-W156 HydrophobicContact CB-CH2 4.47Å; I136-W156 HydrophobicContact CD1-CH2 3.95Å; I136-W156 HydrophobicContact CG2-CH2 3.76Å; I136-W156 HydrophobicContact CG2-CZ2 3.84Å; T154-W156 PolarHBondContact O-NE1 3.23Å; W156-R158 PolarHBondContact O-N 3.42Å
157S35.7Very low41.9Very low81 Ų8196 Ų9657%0.56653%0.526SS*.  trans-64.5115.6-179.6-58.40000110.1L45 S155L45-S157 VanDerWaalsContact CD1-OG 3.28Å; L45-S157 WeakPolarHBondContact CD1-OG 3.27Å; S155-S157 PolarHBondContact O-N 3.41Å
158R34.5Very low40Very low220 Ų22099 Ų9983%0.8355%0.553SS**PPolyproline II helixtrans-86.1129.2171.6-63.1-176.8-154152.55.8109.2W156W156-R158 PolarHBondContact O-N 3.42Å
159Y31.5Very low38.9Very low225 Ų225103 Ų10388%0.88255%0.549SS*.PPolyproline II helixtrans-62.4132.5175.2-115.1-92.9000111.5
160S26.6Very low38.1Very low93 Ų93100.5 Ų100.565%0.6553%0.53SS*.PPolyproline II helixtrans-95.1129.7171.2-66.80000109.7
161S27.1Very low37.6Very low40 Ų4099.6 Ų99.628%0.2853%0.53SS..PPolyproline II helixtrans-80.4125.7176.648.30000112V199S161-V199 WeakPolarHBondContact OG-CG1 3.41Å
162I25.7Very low37.8Very low157 Ų15796.7 Ų96.781%0.80551%0.51SS*.PPolyproline II helixtrans-65.8129.7172.9-63.8167.9000109.7
163K25.4Very low38.3Very low147 Ų14792.2 Ų92.264%0.63948%0.479SS*.PPolyproline II helixtrans-70.6130.5170.7-82.1179.3166.4163.70109.8L202K163-L202 HydrophobicContact CD-CD1 3.54Å; K163-L202 HydrophobicContact CG-CD1 3.73Å
164Q27.9Very low39.4Very low153 Ų15390.9 Ų90.972%0.71547%0.469SS*.PPolyproline II helixtrans-88.2146.8171.3-76.5-176.2-24.800111.5
165P27.7Very low40.7Very low104 Ų10493.7 Ų93.768%0.67548%0.483SS*.PPolyproline II helixtrans-75.5162178.830.9-33.1000113
166L29.3Very low42.5Very low172 Ų17298.9 Ų98.990%0.90151%0.505SS*.PPolyproline II helixtrans-67.7134.6-171.4-69156.8000112.9
167S38.4Very low44Very low45 Ų4596.2 Ų96.232%0.31550%0.495SS..PPolyproline II helixtrans-77.3153-176.6860000113.7P398S167-P398 WeakPolarHBondContact CB-O 3.18Å
168A38.8Very low46.6Very low78 Ų7895.2 Ų95.265%0.64549%0.486SS*.PPolyproline II helixtrans-60.3151173.700000113.1V170 N399A168-V170 PolarHBondContact O-N 3.46Å; A168-N399 PolarHBondContact O-ND2 2.87Å
169K42.7Very low49.4Very low202 Ų20286.5 Ų86.588%0.87846%0.458SS*.PPolyproline II helixtrans-71.4120174.9-72.8179.9178.3178.40109.5
170V47.3Very low52.3Low34 Ų3480.7 Ų80.721%0.20644%0.439CS..  trans-124.5138.6174.5-179.60000107.8A168 N399 H472A168-V170 PolarHBondContact O-N 3.46Å; V170-N399 HydrophobicContact CB-CB 4.39Å; V170-N399 WeakPolarHBondContact CB-ND2 3.45Å; V170-N399 HydrophobicContact CG2-CB 4.19Å; V170-N399 WeakPolarHBondContact CG2-ND2 3.47Å; V170-N399 PolarHBondContact N-ND2 3.04Å; V170-H472 PolarHBondContact O-CD2 3.36Å; V170-H472 PolarHBondContact O-NE2 3.27Å
171S52.3Low55.3Low35 Ų3578.3 Ų78.325%0.24542%0.419CS..  trans-55.4147.6174.9173.50000112S173 Q176 W177S171-S173 VanDerWaalsContact C-N 3.31Å; S171-S173 PolarHBondContact OG-N 2.85Å; S171-Q176 PolarHBondContact OG-OE1 3.12Å; S171-W177 PolarHBondContact O-NE1 3.39Å
172L60.3Low58.5Low2 Ų276.4 Ų76.41%0.0141%0.406CS..  trans-88.44.8178.1-75.5177.4000113.5W177 T405 A468 V469 H472 Y473 N492L172-W177 VanDerWaalsContact C-NE1 3.28Å; L172-W177 WeakPolarHBondContact O-CZ2 3.15Å; L172-T405 WeakPolarHBondContact CD2-OG1 3.09Å; L172-A468 HydrophobicContact CD1-CB 3.86Å; L172-A468 WeakPolarHBondContact CD1-O 3.48Å; L172-V469 HydrophobicContact CD1-CG2 4.22Å; L172-H472 HydrophobicContact CD1-CB 3.99Å; L172-H472 WeakPolarHBondContact CD1-ND1 3.24Å; L172-H472 HydrophobicContact CG-CB 4.29Å; L172-Y473 HydrophobicContact CB-CD2 4.35Å; L172-Y473 HydrophobicContact CB-CE2 3.4Å; L172-Y473 VanDerWaalsContact CB-CE2 3.4Å; L172-Y473 HydrophobicContact CD1-CD2 4.49Å; L172-Y473 HydrophobicContact CD1-CE2 4.24Å; L172-Y473 HydrophobicContact CG-CE2 4.44Å; L172-Y473 PolarHBondContact O-OH 2.81Å; L172-N492 VanDerWaalsContact O-CG 3.29Å; L172-N492 PolarHBondContact O-ND2 2.92Å
173S63.9Low61.7Low10 Ų1069 Ų697%0.0737%0.367CS..  trans-83.6121.2179.5-178.80000111.9S171 D175 Q176 W177 Y473 N492S171-S173 VanDerWaalsContact C-N 3.31Å; S171-S173 PolarHBondContact OG-N 2.85Å; S173-D175 PolarHBondContact O-N 3.08Å; S173-D175 PolarHBondContact OG-N 2.76Å; S173-Q176 CarbonylContact O-C 3.52Å; S173-Q176 WeakPolarHBondContact O-CA 3.35Å; S173-Q176 WeakPolarHBondContact O-CB 3.44Å; S173-Q176 PolarHBondContact O-N 3.39Å; S173-W177 VanDerWaalsContact O-CG 3.3Å; S173-W177 PolarHBondContact O-N 2.77Å; S173-W177 PolarHBondContact O-NE1 3.13Å; S173-Y473 WeakPolarHBondContact CA-OH 3.29Å; S173-Y473 WeakPolarHBondContact CB-OH 3.45Å; S173-Y473 PolarHBondContact N-OH 2.89Å; S173-N492 WeakPolarHBondContact CA-ND2 3.38Å; S173-N492 WeakPolarHBondContact CA-OD1 3.44Å; S173-N492 PolarHBondContact OG-OD1 3.45Å
174F67.3Low64.9Low2 Ų262.2 Ų62.21%0.00934%0.338CS..THydrogen-bonded Turntrans-49-40.4170.1176.7-92.3000111.2Q176 W177 L182 W249 M253 V266 K269 F270 N492F174-Q176 PolarHBondContact O-N 2.99Å; F174-W177 HydrophobicContact CB-CD2 4.47Å; F174-W177 HydrophobicContact CB-CE3 4.04Å; F174-W177 HydrophobicContact CB-CZ3 4.23Å; F174-W177 AromaticContact CD2-CE3 3.73Å; F174-W177 HydrophobicContact CD2-CE3 3.73Å; F174-W177 HydrophobicContact CD2-CZ3 4.01Å; F174-W177 HydrophobicContact CG-CE3 4.33Å; F174-W177 PolarHBondContact O-N 3.02Å; F174-L182 HydrophobicContact CD2-CD1 4.39Å; F174-L182 HydrophobicContact CE2-CD1 3.85Å; F174-W249 HydrophobicContact CD2-CH2 4.27Å; F174-W249 HydrophobicContact CD2-CZ2 4.16Å; F174-W249 HydrophobicContact CE2-CH2 4.03Å; F174-W249 HydrophobicContact CE2-CZ2 4.25Å; F174-M253 HydrophobicContact CB-CE 4.23Å; F174-M253 HydrophobicContact CD1-CE 3.37Å; F174-M253 HydrophobicContact CD2-CE 3.77Å; F174-M253 HydrophobicContact CE1-CE 3.56Å; F174-M253 HydrophobicContact CE2-CE 3.94Å; F174-M253 HydrophobicContact CG-CE 3.48Å; F174-M253 VanDerWaalsContact CG-CE 3.48Å; F174-M253 HydrophobicContact CZ-CE 3.85Å; F174-V266 HydrophobicContact CE1-CG1 4.42Å; F174-V266 HydrophobicContact CZ-CG1 4.39Å; F174-K269 HydrophobicContact CE1-CD 3.9Å; F174-K269 HydrophobicContact CZ-CD 3.87Å; F174-K269 PolarHBondContact O-NZ 3.15Å; F174-F270 HydrophobicContact CE2-CE1 4.14Å; F174-F270 HydrophobicContact CE2-CE2 4.31Å; F174-F270 AromaticContact CE2-CZ 3.63Å; F174-F270 HydrophobicContact CE2-CZ 3.63Å; F174-F270 HydrophobicContact CZ-CE1 4.34Å; F174-F270 AromaticContact CZ-CE2 3.89Å; F174-F270 HydrophobicContact CZ-CE2 3.89Å; F174-F270 AromaticContact CZ-CZ 3.67Å; F174-F270 HydrophobicContact CZ-CZ 3.67Å; F174-N492 HydrophobicContact CB-CB 4.28Å; F174-N492 PolarHBondContact N-OD1 3.38Å
175D69.2Low67.9Low86 Ų8655 Ų5546%0.4631%0.305SS..THydrogen-bonded Turntrans-64.3-31.9179.5-61.8-41.6000110.9S173 K257 K269 S491S173-D175 PolarHBondContact O-N 3.08Å; S173-D175 PolarHBondContact OG-N 2.76Å; D175-K257 IonicContact OD1-NZ 3.89Å; D175-K269 PolarHBondContact O-NZ 3.45Å; D175-S491 VanDerWaalsContact OD2-CB 3.27Å; D175-S491 WeakPolarHBondContact OD2-CB 3.35Å
176Q73.9Confident71Confident129 Ų12950.1 Ų50.160%0.60327%0.273SS*.THydrogen-bonded Turntrans-89.6-14.9178.8-61.8-177.7-6.900114.1S171 S173 F174 T178S171-Q176 PolarHBondContact OG-OE1 3.12Å; S173-Q176 CarbonylContact O-C 3.52Å; S173-Q176 WeakPolarHBondContact O-CA 3.35Å; S173-Q176 WeakPolarHBondContact O-CB 3.44Å; S173-Q176 PolarHBondContact O-N 3.39Å; F174-Q176 PolarHBondContact O-N 2.99Å; Q176-T178 PolarHBondContact O-N 3.27Å
177W79.6Confident74Confident5 Ų541.9 Ų41.92%0.01923%0.23CC..SBendtrans-66.4128.3176.8-63.2-17.5000110.6S171 L172 S173 F174 L182 W249 K269 L402 T405 L406S171-W177 PolarHBondContact O-NE1 3.39Å; L172-W177 VanDerWaalsContact C-NE1 3.28Å; L172-W177 WeakPolarHBondContact O-CZ2 3.15Å; S173-W177 VanDerWaalsContact O-CG 3.3Å; S173-W177 PolarHBondContact O-N 2.77Å; S173-W177 PolarHBondContact O-NE1 3.13Å; F174-W177 HydrophobicContact CB-CD2 4.47Å; F174-W177 HydrophobicContact CB-CE3 4.04Å; F174-W177 HydrophobicContact CB-CZ3 4.23Å; F174-W177 AromaticContact CD2-CE3 3.73Å; F174-W177 HydrophobicContact CD2-CE3 3.73Å; F174-W177 HydrophobicContact CD2-CZ3 4.01Å; F174-W177 HydrophobicContact CG-CE3 4.33Å; F174-W177 PolarHBondContact O-N 3.02Å; W177-L182 HydrophobicContact CB-CD1 4.4Å; W177-L182 HydrophobicContact CB-CG 4.18Å; W177-L182 HydrophobicContact CD2-CD2 4.49Å; W177-L182 HydrophobicContact CE3-CD2 3.57Å; W177-L182 HydrophobicContact CE3-CG 4.21Å; W177-L182 HydrophobicContact CZ3-CD2 4.09Å; W177-W249 HydrophobicContact CZ3-CZ2 4.45Å; W177-K269 WeakPolarHBondContact O-CE 3.37Å; W177-K269 PolarHBondContact O-NZ 3.32Å; W177-L402 HydrophobicContact CD2-CD1 3.44Å; W177-L402 VanDerWaalsContact CD2-CD1 3.44Å; W177-L402 HydrophobicContact CD2-CD2 4.45Å; W177-L402 HydrophobicContact CE3-CD1 3.61Å; W177-L402 HydrophobicContact CG-CD1 4.2Å; W177-L402 HydrophobicContact CG-CD2 4.43Å; W177-L402 HydrophobicContact CH2-CD1 3.42Å; W177-L402 VanDerWaalsContact CH2-CD1 3.42Å; W177-L402 HydrophobicContact CZ2-CD1 3.26Å; W177-L402 HydrophobicContact CZ3-CD1 3.59Å; W177-T405 HydrophobicContact CH2-CG2 3.91Å; W177-T405 HydrophobicContact CZ2-CG2 4.15Å; W177-L406 HydrophobicContact CZ3-CD2 4.05Å
178T89.5Confident76.3Confident61 Ų6141.5 Ų41.537%0.37422%0.223SC..  trans-70.9153.317469.50000109.9Q176 E180 D181 L182Q176-T178 PolarHBondContact O-N 3.27Å; T178-E180 PolarHBondContact O-N 3.37Å; T178-D181 PolarHBondContact N-OD2 2.92Å; T178-D181 PolarHBondContact O-N 3.26Å; T178-D181 WeakPolarHBondContact OG1-CB 3.24Å; T178-D181 PolarHBondContact OG1-N 2.74Å; T178-D181 PolarHBondContact OG1-OD2 2.7Å; T178-L182 PolarHBondContact O-N 2.71Å; T178-L182 VanDerWaalsContact O-N 3.16Å
179P93.4Very high78.6Confident36 Ų3638.4 Ų38.423%0.23420%0.196CC..Hα-helixtrans-57-31.9172.3-24.834.5000113.1A183 K269 R272 V273P179-A183 WeakPolarHBondContact O-CB 3.45Å; P179-A183 PolarHBondContact O-N 2.9Å; P179-A183 VanDerWaalsContact O-N 3.08Å; P179-K269 HydrophobicContact CG-CG 4.38Å; P179-R272 HydrophobicContact CB-CB 3.76Å; P179-R272 HydrophobicContact CG-CB 3.77Å; P179-V273 HydrophobicContact CB-CG2 3.92Å
180E92.6Very high80.6Confident103 Ų10329.1 Ų29.148%0.48116%0.155SC..Hα-helixtrans-67.5-50.1175.8-175.3179.4177.800111.5T178 L182 A183 V184T178-E180 PolarHBondContact O-N 3.37Å; E180-L182 VanDerWaalsContact C-N 3.25Å; E180-L182 PolarHBondContact O-N 3.27Å; E180-A183 PolarHBondContact O-N 3.47Å; E180-V184 HydrophobicContact CG-CG2 4.29Å; E180-V184 WeakPolarHBondContact O-CG2 3.1Å; E180-V184 PolarHBondContact O-N 3.4Å
181D89.9Confident82.2Confident44 Ų4427.8 Ų27.824%0.23515%0.147CC..Hα-helixtrans-55-45177.5-71.5-47.5000111T178 V184 N185 L402T178-D181 PolarHBondContact N-OD2 2.92Å; T178-D181 PolarHBondContact O-N 3.26Å; T178-D181 WeakPolarHBondContact OG1-CB 3.24Å; T178-D181 PolarHBondContact OG1-N 2.74Å; T178-D181 PolarHBondContact OG1-OD2 2.7Å; D181-V184 PolarHBondContact O-N 3.14Å; D181-N185 WeakPolarHBondContact O-CB 3.31Å; D181-N185 PolarHBondContact O-N 3.37Å; D181-N185 PolarHBondContact O-ND2 3.03Å; D181-L402 HydrophobicContact CB-CD2 3.92Å
182L92.6Very high83.5Confident0 Ų031.4 Ų31.40%016%0.158CC..Hα-helixtrans-59.3-48.6175.6-82.8172.3000111.9F174 W177 T178 E180 N185 L186 W249 V273 L406F174-L182 HydrophobicContact CD2-CD1 4.39Å; F174-L182 HydrophobicContact CE2-CD1 3.85Å; W177-L182 HydrophobicContact CB-CD1 4.4Å; W177-L182 HydrophobicContact CB-CG 4.18Å; W177-L182 HydrophobicContact CD2-CD2 4.49Å; W177-L182 HydrophobicContact CE3-CD2 3.57Å; W177-L182 HydrophobicContact CE3-CG 4.21Å; W177-L182 HydrophobicContact CZ3-CD2 4.09Å; T178-L182 PolarHBondContact O-N 2.71Å; T178-L182 VanDerWaalsContact O-N 3.16Å; E180-L182 VanDerWaalsContact C-N 3.25Å; E180-L182 PolarHBondContact O-N 3.27Å; L182-N185 PolarHBondContact O-N 3.05Å; L182-L186 VanDerWaalsContact O-CB 3.32Å; L182-L186 WeakPolarHBondContact O-CB 3.28Å; L182-L186 WeakPolarHBondContact O-CG 3.21Å; L182-L186 PolarHBondContact O-N 2.72Å; L182-W249 HydrophobicContact CD2-CH2 4.02Å; L182-V273 HydrophobicContact CB-CG1 4.36Å; L182-V273 HydrophobicContact CB-CG2 3.88Å; L182-V273 HydrophobicContact CD1-CG2 3.9Å; L182-L406 HydrophobicContact CD2-CD1 4.41Å; L182-L406 HydrophobicContact CD2-CD2 4.14Å
183A94.8Very high84.2Confident0 Ų032.2 Ų32.20%016%0.163CC..Hα-helixtrans-62.1-44.618000000112.3P179 E180 T187 V273 N276 L277 L280P179-A183 WeakPolarHBondContact O-CB 3.45Å; P179-A183 PolarHBondContact O-N 2.9Å; P179-A183 VanDerWaalsContact O-N 3.08Å; E180-A183 PolarHBondContact O-N 3.47Å; A183-T187 VanDerWaalsContact O-CB 3.28Å; A183-T187 WeakPolarHBondContact O-CB 3.11Å; A183-T187 PolarHBondContact O-N 2.86Å; A183-T187 PolarHBondContact O-OG1 3.42Å; A183-V273 HydrophobicContact CB-CG1 4.24Å; A183-N276 HydrophobicContact CB-CB 3.52Å; A183-L277 HydrophobicContact CB-CD2 3.91Å; A183-L277 HydrophobicContact CB-CG 3.85Å; A183-L280 HydrophobicContact CB-CD1 4.07Å
184V91.7Very high84.8Confident5 Ų532.2 Ų32.23%0.0316%0.162CC..Hα-helixtrans-63.7-48.2178.8171.30000110.9E180 D181 T187 H188 L280 P396E180-V184 HydrophobicContact CG-CG2 4.29Å; E180-V184 WeakPolarHBondContact O-CG2 3.1Å; E180-V184 PolarHBondContact O-N 3.4Å; D181-V184 PolarHBondContact O-N 3.14Å; V184-T187 PolarHBondContact O-N 3.15Å; V184-H188 PolarHBondContact O-N 3.19Å; V184-L280 HydrophobicContact CG2-CD1 4.1Å; V184-P396 HydrophobicContact CG1-CB 4.14Å; V184-P396 VanDerWaalsContact CG1-O 3.31Å; V184-P396 WeakPolarHBondContact CG1-O 3.45Å; V184-P396 HydrophobicContact CG2-CB 4.05Å; V184-P396 HydrophobicContact CG2-CG 3.84Å
185N91.2Very high84.8Confident1 Ų133.9 Ų33.91%0.00517%0.168CC..Hα-helixtrans-69.5-40.1-177-76.5-95.3000112D181 L182 T187 H188 I189 N399 L402 T403 L406D181-N185 WeakPolarHBondContact O-CB 3.31Å; D181-N185 PolarHBondContact O-N 3.37Å; D181-N185 PolarHBondContact O-ND2 3.03Å; L182-N185 PolarHBondContact O-N 3.05Å; N185-T187 VanDerWaalsContact C-N 3.35Å; N185-H188 PolarHBondContact O-N 3.48Å; N185-I189 WeakPolarHBondContact O-CG1 3.5Å; N185-I189 PolarHBondContact O-N 3.31Å; N185-N399 PolarHBondContact OD1-N 2.88Å; N185-N399 VanDerWaalsContact OD1-N 3.09Å; N185-N399 PolarHBondContact OD1-O 3.36Å; N185-L402 HydrophobicContact CB-CD2 4.19Å; N185-L402 HydrophobicContact CB-CG 4.12Å; N185-L402 WeakPolarHBondContact ND2-CD2 3.48Å; N185-T403 PolarHBondContact OD1-OG1 3.47Å; N185-L406 HydrophobicContact CB-CD1 3.76Å
186L93.3Very high84Confident2 Ų234.5 Ų34.51%0.0116%0.164CC..Hα-helixtrans-61.9-43.7172.9-71172.8000111.2L182 H188 I189 E190 I246 T285 L406 L410L182-L186 VanDerWaalsContact O-CB 3.32Å; L182-L186 WeakPolarHBondContact O-CB 3.28Å; L182-L186 WeakPolarHBondContact O-CG 3.21Å; L182-L186 PolarHBondContact O-N 2.72Å; L186-H188 VanDerWaalsContact C-N 3.29Å; L186-H188 PolarHBondContact O-N 3.23Å; L186-I189 PolarHBondContact O-N 3.47Å; L186-E190 PolarHBondContact O-N 3.27Å; L186-I246 HydrophobicContact CD2-CD1 4.09Å; L186-I246 HydrophobicContact CD2-CG1 4.05Å; L186-T285 HydrophobicContact CB-CG2 4.03Å; L186-T285 HydrophobicContact CD1-CG2 4.26Å; L186-L406 HydrophobicContact CD2-CD1 4.32Å; L186-L406 HydrophobicContact CG-CD1 4.47Å; L186-L410 HydrophobicContact CD2-CD1 4.11Å
187T91.5Very high82.1Confident0 Ų034.1 Ų34.10%017%0.165CC..Hα-helixtrans-60.6-39.9175.3-59.60000111.3A183 V184 N185 N191 L277 N282 Y342 L395A183-T187 VanDerWaalsContact O-CB 3.28Å; A183-T187 WeakPolarHBondContact O-CB 3.11Å; A183-T187 PolarHBondContact O-N 2.86Å; A183-T187 PolarHBondContact O-OG1 3.42Å; V184-T187 PolarHBondContact O-N 3.15Å; N185-T187 VanDerWaalsContact C-N 3.35Å; T187-N191 WeakPolarHBondContact O-CB 3.25Å; T187-N191 PolarHBondContact O-N 2.86Å; T187-L277 WeakPolarHBondContact OG1-CD2 3.2Å; T187-N282 HydrophobicContact CG2-CB 4.25Å; T187-N282 WeakPolarHBondContact CG2-ND2 3.32Å; T187-N282 PolarHBondContact OG1-ND2 3.45Å; T187-Y342 HydrophobicContact CG2-CE1 4.18Å; T187-L395 HydrophobicContact CG2-CD1 3.65Å; T187-L395 HydrophobicContact CG2-CD2 4.1Å
188H87.3Confident80.1Confident36 Ų3637.2 Ų37.217%0.16719%0.185CC..Hα-helixtrans-66.7-39.6176.1-114.981.4000113V184 N185 L186 K192 P398V184-H188 PolarHBondContact O-N 3.19Å; N185-H188 PolarHBondContact O-N 3.48Å; L186-H188 VanDerWaalsContact C-N 3.29Å; L186-H188 PolarHBondContact O-N 3.23Å; H188-K192 WeakPolarHBondContact O-CB 3.27Å; H188-K192 PolarHBondContact O-N 3.48Å; H188-P398 HydrophobicContact CB-CB 4.03Å; H188-P398 HydrophobicContact CB-CG 4.43Å
189I85.9Confident77.3Confident14 Ų1439.3 Ų39.37%0.07220%0.198CC..Hα-helixtrans-61.8-50.8176.3-71.5166.6000110.2N185 L186 K192 L193 T242 T403 L406 K407 L410N185-I189 WeakPolarHBondContact O-CG1 3.5Å; N185-I189 PolarHBondContact O-N 3.31Å; L186-I189 PolarHBondContact O-N 3.47Å; I189-K192 PolarHBondContact O-N 3.21Å; I189-L193 PolarHBondContact O-N 2.89Å; I189-T242 HydrophobicContact CG2-CG2 4.12Å; I189-T403 HydrophobicContact CG1-CG2 4.08Å; I189-L406 HydrophobicContact CD1-CB 3.63Å; I189-L406 HydrophobicContact CD1-CD1 4.22Å; I189-K407 HydrophobicContact CD1-CG 4.19Å; I189-K407 HydrophobicContact CG1-CG 4.29Å; I189-L410 HydrophobicContact CD1-CD1 4.4Å
190E86Confident74.5Confident6 Ų644.8 Ų44.83%0.02821%0.214CC..Hα-helixtrans-62.9-51.7179175.1171.1-115.400111.7L186 K192 L193 L194 N282 N284 T285L186-E190 PolarHBondContact O-N 3.27Å; E190-K192 PolarHBondContact O-N 3.16Å; E190-L193 WeakPolarHBondContact O-CA 3.13Å; E190-L193 WeakPolarHBondContact O-CB 3.41Å; E190-L193 PolarHBondContact O-N 2.9Å; E190-L194 HydrophobicContact CG-CD1 3.89Å; E190-L194 HydrophobicContact CG-CG 4.36Å; E190-L194 WeakPolarHBondContact O-CG 3.17Å; E190-L194 PolarHBondContact O-N 3.17Å; E190-N282 VanDerWaalsContact OE2-CG 3.29Å; E190-N282 PolarHBondContact OE2-ND2 3.37Å; E190-N282 PolarHBondContact OE2-OD1 3.04Å; E190-N284 WeakPolarHBondContact OE1-CB 3.41Å; E190-N284 PolarHBondContact OE1-ND2 3.04Å; E190-T285 PolarHBondContact OE1-OG1 3.44Å; E190-T285 PolarHBondContact OE2-OG1 2.87Å
191N80.6Confident71.6Confident7 Ų743.9 Ų43.94%0.03722%0.224CC..Hα-helixtrans-61-35.8-179-178.167.3000112.1T187 L193 L194 R195 Y342 Q393T187-N191 WeakPolarHBondContact O-CB 3.25Å; T187-N191 PolarHBondContact O-N 2.86Å; N191-L193 VanDerWaalsContact C-N 3.27Å; N191-L193 PolarHBondContact O-N 3.18Å; N191-L194 PolarHBondContact O-N 2.94Å; N191-R195 VanDerWaalsContact ND2-CD 3.32Å; N191-R195 WeakPolarHBondContact ND2-CD 3.39Å; N191-R195 PolarHBondContact ND2-NE 3.49Å; N191-R195 VanDerWaalsContact ND2-NE 3.15Å; N191-R195 WeakPolarHBondContact O-CB 3.43Å; N191-R195 PolarHBondContact O-N 2.79Å; N191-R195 WeakPolarHBondContact OD1-CD 3.34Å; N191-R195 WeakPolarHBondContact OD1-CG 3.31Å; N191-R195 PolarHBondContact OD1-NE 3.1Å; N191-Y342 PolarHBondContact OD1-OH 3.19Å; N191-Q393 PolarHBondContact ND2-NE2 2.97Å; N191-Q393 PolarHBondContact ND2-OE1 3.32Å; N191-Q393 VanDerWaalsContact ND2-OE1 3.07Å; N191-Q393 PolarHBondContact OD1-NE2 3.11Å
192K78.3Confident68.8Low110 Ų11047.6 Ų47.648%0.47824%0.243SC..Hα-helixtrans-63.3-33.7173.9-174.2169.3-172.81640112.1H188 I189 E190 R196H188-K192 WeakPolarHBondContact O-CB 3.27Å; H188-K192 PolarHBondContact O-N 3.48Å; I189-K192 PolarHBondContact O-N 3.21Å; E190-K192 PolarHBondContact O-N 3.16Å; K192-R196 HydrophobicContact CG-CG 4.44Å; K192-R196 WeakPolarHBondContact O-CA 3.4Å; K192-R196 VanDerWaalsContact O-CB 3.28Å; K192-R196 WeakPolarHBondContact O-CB 3.36Å; K192-R196 WeakPolarHBondContact O-CG 3.14Å; K192-R196 PolarHBondContact O-N 2.93Å
193L76.7Confident65.8Low20 Ų2052.3 Ų52.311%0.10528%0.276CS..Hα-helixtrans-71.1-39.8174.2-67.9168.4000111.5I189 E190 N191 V216 K238 T242I189-L193 PolarHBondContact O-N 2.89Å; E190-L193 WeakPolarHBondContact O-CA 3.13Å; E190-L193 WeakPolarHBondContact O-CB 3.41Å; E190-L193 PolarHBondContact O-N 2.9Å; N191-L193 VanDerWaalsContact C-N 3.27Å; N191-L193 PolarHBondContact O-N 3.18Å; L193-V216 WeakPolarHBondContact O-CG2 3.4Å; L193-K238 HydrophobicContact CD2-CB 4.2Å; L193-T242 HydrophobicContact CD1-CG2 4.06Å; L193-T242 VanDerWaalsContact CD1-OG1 3.24Å; L193-T242 WeakPolarHBondContact CD1-OG1 3.44Å
194L74.9Confident63.1Low10 Ų1058.6 Ų58.65%0.05232%0.317CS..Hα-helixtrans-74.9-42.4-178-59.8176.2000113.3E190 N191 V216 V344 I347 V389E190-L194 HydrophobicContact CG-CD1 3.89Å; E190-L194 HydrophobicContact CG-CG 4.36Å; E190-L194 WeakPolarHBondContact O-CG 3.17Å; E190-L194 PolarHBondContact O-N 3.17Å; N191-L194 PolarHBondContact O-N 2.94Å; L194-V216 HydrophobicContact CD2-CG2 4.22Å; L194-V216 PolarHBondContact O-N 3.19Å; L194-V344 HydrophobicContact CD1-CG1 3.86Å; L194-I347 HydrophobicContact CD1-CD1 3.95Å; L194-I347 HydrophobicContact CD2-CD1 3.39Å; L194-I347 HydrophobicContact CG-CD1 4.3Å; L194-V389 HydrophobicContact CB-CG1 3.54Å; L194-V389 HydrophobicContact CD1-CG1 3.8Å; L194-V389 HydrophobicContact CD1-CG2 4.49Å; L194-V389 HydrophobicContact CG-CG1 4.31Å
195R66.9Low60Low36 Ų3663.2 Ų63.214%0.13635%0.35CS..Hα-helixtrans-83.4-37.1-177.1-71.1-168.2-166.7-139.5-14.5114.6N191 I197 V389 Q390 Q391N191-R195 VanDerWaalsContact ND2-CD 3.32Å; N191-R195 WeakPolarHBondContact ND2-CD 3.39Å; N191-R195 PolarHBondContact ND2-NE 3.49Å; N191-R195 VanDerWaalsContact ND2-NE 3.15Å; N191-R195 WeakPolarHBondContact O-CB 3.43Å; N191-R195 PolarHBondContact O-N 2.79Å; N191-R195 WeakPolarHBondContact OD1-CD 3.34Å; N191-R195 WeakPolarHBondContact OD1-CG 3.31Å; N191-R195 PolarHBondContact OD1-NE 3.1Å; R195-I197 VanDerWaalsContact C-N 3.32Å; R195-I197 WeakPolarHBondContact O-CG1 3.47Å; R195-I197 PolarHBondContact O-N 3.39Å; R195-V389 HydrophobicContact CG-CG1 4.38Å; R195-V389 WeakPolarHBondContact CG-O 3.37Å; R195-V389 PolarHBondContact NE-O 3.45Å; R195-V389 PolarHBondContact NH2-O 2.86Å; R195-Q390 PolarHBondContact NH1-O 3.15Å; R195-Q391 VanDerWaalsContact CZ-O 3.31Å; R195-Q391 PolarHBondContact NH1-O 3.21Å; R195-Q391 VanDerWaalsContact NH1-O 3.15Å; R195-Q391 PolarHBondContact NH2-O 3.02Å
196R52.5Low57.2Low99 Ų9971.9 Ų71.937%0.37439%0.388SS..  trans-7.884.9-159.5-123.3169.9-156.9-149.86.3113.7K192 V213 Y214 S215K192-R196 HydrophobicContact CG-CG 4.44Å; K192-R196 WeakPolarHBondContact O-CA 3.4Å; K192-R196 VanDerWaalsContact O-CB 3.28Å; K192-R196 WeakPolarHBondContact O-CB 3.36Å; K192-R196 WeakPolarHBondContact O-CG 3.14Å; K192-R196 PolarHBondContact O-N 2.93Å; R196-V213 HydrophobicContact CB-CG1 4.36Å; R196-V213 HydrophobicContact CG-CG1 4.46Å; R196-V213 VanDerWaalsContact O-CG1 3.3Å; R196-V213 WeakPolarHBondContact O-CG1 3.38Å; R196-Y214 CarbonylContact O-C 3.39Å; R196-S215 PolarHBondContact O-N 3.37Å
197I35.3Very low54.2Low121 Ų12181.5 Ų81.562%0.62143%0.425SS*.  trans-87.2135.3168.4-61.9170.7000106.3R195 V199R195-I197 VanDerWaalsContact C-N 3.32Å; R195-I197 WeakPolarHBondContact O-CG1 3.47Å; R195-I197 PolarHBondContact O-N 3.39Å; I197-V199 PolarHBondContact O-N 2.92Å; I197-V199 VanDerWaalsContact O-N 3.09Å
198P37.2Very low51.1Low70 Ų7087.3 Ų87.346%0.45546%0.455SS..  trans-60.1113.5172.812.4-18000111.2V213P198-V213 HydrophobicContact CB-CB 3.49Å; P198-V213 VanDerWaalsContact CB-CB 3.49Å; P198-V213 HydrophobicContact CB-CG1 4.07Å; P198-V213 HydrophobicContact CB-CG2 3.5Å; P198-V213 HydrophobicContact CG-CB 3.71Å; P198-V213 HydrophobicContact CG-CG1 4.23Å; P198-V213 HydrophobicContact CG-CG2 4.29Å
199V30.9Very low48.2Very low106 Ų10693.7 Ų93.764%0.64248%0.484SS*.  trans-90.499.1153.7176.40000105.4S161 I197 A201S161-V199 WeakPolarHBondContact OG-CG1 3.41Å; I197-V199 PolarHBondContact O-N 2.92Å; I197-V199 VanDerWaalsContact O-N 3.09Å; V199-A201 PolarHBondContact O-N 3.29Å
200R35.1Very low45.6Very low151 Ų15198 Ų9857%0.5751%0.506SS*.  trans-79.9119.4165.7-162.3-179.8-78.7169.9-1.8107.4I210R200-I210 VanDerWaalsContact NE-CD1 3.31Å; R200-I210 VanDerWaalsContact NE-CG2 3.34Å
201A30.5Very low42.8Very low84 Ų84104.4 Ų104.469%0.69454%0.537SS*.  trans-56.9138.7177.300000111.7V199 S203V199-A201 PolarHBondContact O-N 3.29Å; A201-S203 PolarHBondContact O-N 2.61Å
202L31.4Very low40.6Very low121 Ų121109.1 Ų109.163%0.63456%0.558SS**  trans-54.6109.2158.1-79116000110.6K163K163-L202 HydrophobicContact CD-CD1 3.54Å; K163-L202 HydrophobicContact CG-CD1 3.73Å
203S30.6Very low38.8Very low99 Ų99106.4 Ų106.469%0.69255%0.55SS**  trans-163.1127.9144.4-167.10000110.1A201 S205A201-S203 PolarHBondContact O-N 2.61Å; S203-S205 VanDerWaalsContact C-N 3.31Å; S203-S205 PolarHBondContact O-N 3.28Å
204P36.8Very low37.3Very low132 Ų132109 Ų10986%0.85756%0.559SS**SBendtrans-74.8-2.2-172-16.130.6000116.8
205S27.3Very low35.7Very low103 Ų103109.2 Ų109.272%0.7256%0.562SS**SBendtrans-12422-155.7-60.40000118.4S203S203-S205 VanDerWaalsContact C-N 3.31Å; S203-S205 PolarHBondContact O-N 3.28Å
206K32.6Very low35.1Very low183 Ų183108 Ų10880%0.79656%0.559SS**  trans-148.4100.3167.9-115.1168.5-173.71780113.1I208K206-I208 PolarHBondContact O-N 2.86Å
207Y30.8Very low35.7Very low203 Ų203104.5 Ų104.580%0.79655%0.546SS*.  trans-57.796.4159.8-91.2-94.8000109.7Y57Y57-Y207 PolarHBondContact OH-OH 3.32Å
208I25.4Very low37.8Very low123 Ų12399 Ų9963%0.63152%0.518SS*.  trans-141.8121161.5-62.7-177000107.7K206 I210K206-I208 PolarHBondContact O-N 2.86Å; I208-I210 VanDerWaalsContact O-CG1 3.29Å; I208-I210 WeakPolarHBondContact O-CG1 3.4Å
209H26.5Very low39.8Very low169 Ų169100.2 Ų100.278%0.78251%0.514SS*.  trans5.4114.2162.4-97-95.5000116.1
210I30.7Very low42.2Very low104 Ų10496.4 Ų96.453%0.53349%0.49SS..  trans-117.484.8-178.7-45.9155.3000109.1R200 I208R200-I210 VanDerWaalsContact NE-CD1 3.31Å; R200-I210 VanDerWaalsContact NE-CG2 3.34Å; I208-I210 VanDerWaalsContact O-CG1 3.29Å; I208-I210 WeakPolarHBondContact O-CG1 3.4Å
211Q28.1Very low44.6Very low142 Ų14289.4 Ų89.466%0.66446%0.463SS*.  trans-88135.9168.5-96162.3-39.900110.4
212H33.3Very low47.3Very low105 Ų10588.2 Ų88.249%0.48644%0.443SS..  trans73.4113.9159.9-51.3162.8000117.7Y214H212-Y214 HydrophobicContact CB-CD2 4.39Å; H212-Y214 HydrophobicContact CB-CE2 4.13Å; H212-Y214 AromaticContact CD2-CE2 3.72Å; H212-Y214 AromaticContact CG-CE2 3.94Å
213V40.5Very low49.8Very low53 Ų5384 Ų8432%0.32142%0.423SS..  trans-148.2106.6132-172.80000110R196 P198R196-V213 HydrophobicContact CB-CG1 4.36Å; R196-V213 HydrophobicContact CG-CG1 4.46Å; R196-V213 VanDerWaalsContact O-CG1 3.3Å; R196-V213 WeakPolarHBondContact O-CG1 3.38Å; P198-V213 HydrophobicContact CB-CB 3.49Å; P198-V213 VanDerWaalsContact CB-CB 3.49Å; P198-V213 HydrophobicContact CB-CG1 4.07Å; P198-V213 HydrophobicContact CB-CG2 3.5Å; P198-V213 HydrophobicContact CG-CB 3.71Å; P198-V213 HydrophobicContact CG-CG1 4.23Å; P198-V213 HydrophobicContact CG-CG2 4.29Å
214Y46.6Very low52.3Low74 Ų7480.2 Ų80.229%0.2939%0.394SS..  trans-94.6137.8174-55.3-90.5000109.8I128 R196 H212 Q217 N235I128-Y214 HydrophobicContact CB-CE1 4.37Å; I128-Y214 HydrophobicContact CD1-CD1 3.49Å; I128-Y214 VanDerWaalsContact CD1-CD1 3.49Å; I128-Y214 HydrophobicContact CD1-CD2 4.38Å; I128-Y214 HydrophobicContact CD1-CE1 3.09Å; I128-Y214 HydrophobicContact CD1-CE2 4.03Å; I128-Y214 HydrophobicContact CD1-CG 4.15Å; I128-Y214 HydrophobicContact CG1-CE1 4.21Å; I128-Y214 HydrophobicContact CG2-CE1 3.84Å; I128-Y214 WeakPolarHBondContact CG2-OH 3.37Å; R196-Y214 CarbonylContact O-C 3.39Å; H212-Y214 HydrophobicContact CB-CD2 4.39Å; H212-Y214 HydrophobicContact CB-CE2 4.13Å; H212-Y214 AromaticContact CD2-CE2 3.72Å; H212-Y214 AromaticContact CG-CE2 3.94Å; Y214-Q217 HydrophobicContact CD1-CG 4.49Å; Y214-N235 PolarHBondContact O-ND2 3.15Å
215S41.3Very low54.6Low16 Ų1674.2 Ų74.211%0.11236%0.355CS..  trans-66.4169.4156.953.50000109.4R196 Q217 N235R196-S215 PolarHBondContact O-N 3.37Å; S215-Q217 VanDerWaalsContact C-N 3.31Å; S215-Q217 WeakPolarHBondContact O-CG 3.27Å; S215-Q217 PolarHBondContact O-N 3.06Å; S215-N235 PolarHBondContact O-ND2 2.81Å
216V52.6Low57.3Low11 Ų1172 Ų727%0.06734%0.337CS..SBendtrans-62.5102.7162.1-179.70000106.3L193 L194 D220 Y221 N235 L236L193-V216 WeakPolarHBondContact O-CG2 3.4Å; L194-V216 HydrophobicContact CD2-CG2 4.22Å; L194-V216 PolarHBondContact O-N 3.19Å; V216-D220 HydrophobicContact CG1-CB 4.15Å; V216-Y221 HydrophobicContact CG1-CD2 4.32Å; V216-Y221 HydrophobicContact CG1-CE1 4.35Å; V216-Y221 HydrophobicContact CG1-CE2 3.7Å; V216-N235 HydrophobicContact CB-CB 4.2Å; V216-N235 HydrophobicContact CG2-CB 3.32Å; V216-L236 HydrophobicContact CG1-CB 3.85Å
217Q66.5Low59.5Low24 Ų2468.2 Ų68.211%0.11233%0.326CS..  trans-77.8146.6-170.4-66.7-177-57.200109.3Q124 Y214 S215 R219 D220Q124-Q217 HydrophobicContact CG-CG 4.44Å; Y214-Q217 HydrophobicContact CD1-CG 4.49Å; S215-Q217 VanDerWaalsContact C-N 3.31Å; S215-Q217 WeakPolarHBondContact O-CG 3.27Å; S215-Q217 PolarHBondContact O-N 3.06Å; Q217-R219 HydrophobicContact CB-CB 4.15Å; Q217-R219 CarbonylContact O-C 3.58Å; Q217-R219 PolarHBondContact O-N 3.34Å; Q217-D220 WeakPolarHBondContact O-CB 3.14Å; Q217-D220 PolarHBondContact O-N 3.14Å
218F78.1Confident61.6Low7 Ų764.2 Ų64.23%0.03132%0.318CS..Hα-helixtrans-34.6-38.7164.3166.5-88.8000112.8V82 L83 E85 W86 D220 Y221 K222 F382V82-F218 WeakPolarHBondContact O-CD2 3.27Å; V82-F218 WeakPolarHBondContact O-CE2 3.39Å; L83-F218 HydrophobicContact CD2-CE2 3.8Å; E85-F218 HydrophobicContact CB-CD1 3.88Å; E85-F218 HydrophobicContact CB-CE1 3.44Å; E85-F218 VanDerWaalsContact CB-CE1 3.44Å; E85-F218 HydrophobicContact CB-CZ 4.38Å; W86-F218 HydrophobicContact CB-CZ 3.85Å; W86-F218 HydrophobicContact CD2-CZ 4.45Å; W86-F218 HydrophobicContact CE3-CE2 4.09Å; W86-F218 AromaticContact CE3-CZ 3.72Å; W86-F218 HydrophobicContact CE3-CZ 3.72Å; F218-D220 PolarHBondContact O-N 3.08Å; F218-Y221 PolarHBondContact O-N 3.42Å; F218-K222 HydrophobicContact CE1-CB 4.21Å; F218-K222 HydrophobicContact CE1-CD 3.97Å; F218-K222 HydrophobicContact CZ-CB 4.49Å; F218-K222 HydrophobicContact CZ-CD 4.35Å; F218-K222 WeakPolarHBondContact O-CB 3.42Å; F218-K222 PolarHBondContact O-N 3.3Å; F218-F382 HydrophobicContact CB-CE1 4.49Å; F218-F382 AromaticContact CD2-CD1 3.79Å; F218-F382 HydrophobicContact CD2-CD1 3.79Å; F218-F382 HydrophobicContact CD2-CD2 4.4Å; F218-F382 AromaticContact CD2-CE1 3.37Å; F218-F382 HydrophobicContact CD2-CE1 3.37Å; F218-F382 HydrophobicContact CD2-CE2 4.06Å; F218-F382 HydrophobicContact CD2-CG 4.27Å; F218-F382 AromaticContact CD2-CZ 3.53Å; F218-F382 HydrophobicContact CD2-CZ 3.53Å; F218-F382 HydrophobicContact CE2-CD1 4.33Å; F218-F382 HydrophobicContact CE2-CD2 4.14Å; F218-F382 AromaticContact CE2-CE1 3.84Å; F218-F382 HydrophobicContact CE2-CE1 3.84Å; F218-F382 AromaticContact CE2-CE2 3.65Å; F218-F382 HydrophobicContact CE2-CE2 3.65Å; F218-F382 HydrophobicContact CE2-CG 4.45Å; F218-F382 AromaticContact CE2-CZ 3.48Å; F218-F382 HydrophobicContact CE2-CZ 3.48Å; F218-F382 VanDerWaalsContact CE2-CZ 3.48Å; F218-F382 HydrophobicContact CG-CE1 4.2Å; F218-F382 HydrophobicContact CG-CZ 4.47Å; F218-F382 HydrophobicContact CZ-CZ 4.39Å
219R79.2Confident63.9Low94 Ų9463.6 Ų63.636%0.35531%0.312SS..Hα-helixtrans-55.6-42.5173.7-67.6179.4167.9-152.5-14.6115.7E85 R129 Q217 K222 S223E85-R219 IonicContact OE1-CZ 2.78Å; E85-R219 IonicContact OE1-NE 2.71Å; E85-R219 PolarHBondContact OE1-NE 3.49Å; E85-R219 IonicContact OE1-NH2 3.29Å; E85-R219 PolarHBondContact OE1-NH2 2.82Å; E85-R219 WeakPolarHBondContact OE2-CG 3.37Å; E85-R219 IonicContact OE2-CZ 3.57Å; E85-R219 IonicContact OE2-NE 3.64Å; E85-R219 PolarHBondContact OE2-NE 3.43Å; E85-R219 IonicContact OE2-NH2 3.76Å; R129-R219 VanDerWaalsContact NH2-NH2 3.1Å; Q217-R219 HydrophobicContact CB-CB 4.15Å; Q217-R219 CarbonylContact O-C 3.58Å; Q217-R219 PolarHBondContact O-N 3.34Å; R219-K222 PolarHBondContact O-N 3.48Å; R219-S223 VanDerWaalsContact O-CB 3.24Å; R219-S223 WeakPolarHBondContact O-CB 3.49Å; R219-S223 PolarHBondContact O-N 3.34Å
220D81.3Confident66.2Low27 Ų2755.9 Ų55.914%0.14428%0.277CS..Hα-helixtrans-63.9-45.2177.9-81.5-1.6000110.1V216 Q217 F218 S223 Y224 L230 S234 N235 L236V216-D220 HydrophobicContact CG1-CB 4.15Å; Q217-D220 WeakPolarHBondContact O-CB 3.14Å; Q217-D220 PolarHBondContact O-N 3.14Å; F218-D220 PolarHBondContact O-N 3.08Å; D220-S223 PolarHBondContact O-N 2.89Å; D220-Y224 WeakPolarHBondContact O-CB 3.47Å; D220-Y224 PolarHBondContact O-N 3.18Å; D220-L230 HydrophobicContact CB-CD2 4.38Å; D220-L230 WeakPolarHBondContact O-CD2 3.46Å; D220-S234 PolarHBondContact OD1-OG 3.12Å; D220-S234 WeakPolarHBondContact OD2-CB 3.49Å; D220-S234 PolarHBondContact OD2-OG 3.33Å; D220-N235 PolarHBondContact OD2-N 2.93Å; D220-N235 VanDerWaalsContact OD2-N 3.14Å; D220-L236 HydrophobicContact CB-CB 3.92Å; D220-L236 HydrophobicContact CB-CD2 4.43Å; D220-L236 PolarHBondContact OD2-N 2.95Å
221Y86.5Confident68.1Low4 Ų455.8 Ų55.82%0.01628%0.277CS..Hα-helixtrans-64.8-45.7176.5-67.3-58.9000111.9V216 F218 Y224 A225 L236 I347 L351 F382 L385V216-Y221 HydrophobicContact CG1-CD2 4.32Å; V216-Y221 HydrophobicContact CG1-CE1 4.35Å; V216-Y221 HydrophobicContact CG1-CE2 3.7Å; F218-Y221 PolarHBondContact O-N 3.42Å; Y221-Y224 PolarHBondContact O-N 2.9Å; Y221-A225 WeakPolarHBondContact O-CB 3.41Å; Y221-A225 PolarHBondContact O-N 3.15Å; Y221-L236 HydrophobicContact CD1-CD1 4.38Å; Y221-L236 HydrophobicContact CD1-CD2 3.61Å; Y221-L236 HydrophobicContact CE1-CD1 3.76Å; Y221-L236 HydrophobicContact CE1-CD2 3.86Å; Y221-L236 HydrophobicContact CE1-CG 4.38Å; Y221-L236 HydrophobicContact CG-CD2 4.46Å; Y221-I347 HydrophobicContact CE1-CG2 4.04Å; Y221-L351 HydrophobicContact CD1-CD2 3.64Å; Y221-L351 HydrophobicContact CE1-CD2 4.13Å; Y221-F382 HydrophobicContact CD2-CD1 4.46Å; Y221-F382 AromaticContact CD2-CE1 3.99Å; Y221-F382 HydrophobicContact CD2-CE1 3.99Å; Y221-F382 HydrophobicContact CG-CE1 4.09Å; Y221-L385 HydrophobicContact CD1-CD1 3.92Å; Y221-L385 HydrophobicContact CE1-CB 4.49Å; Y221-L385 HydrophobicContact CE1-CD1 3.97Å; Y221-L385 HydrophobicContact CE1-CD2 3.98Å; Y221-L385 HydrophobicContact CE1-CG 4.39Å; Y221-L385 HydrophobicContact CE2-CB 4.03Å; Y221-L385 HydrophobicContact CG-CD1 4.21Å
222K86.4Confident70Confident59 Ų5953.3 Ų53.326%0.25727%0.269SS..Hα-helixtrans-59-49.4174.8-177.6179.8-174.6-173.70110.9E85 W86 F218 R219 Y224 A225 V226E85-K222 PolarHBondContact O-NZ 3.35Å; W86-K222 HydrophobicContact CD2-CD 4.42Å; W86-K222 HydrophobicContact CD2-CG 4.38Å; W86-K222 HydrophobicContact CE3-CB 4.05Å; W86-K222 HydrophobicContact CE3-CD 4.08Å; W86-K222 HydrophobicContact CE3-CG 3.75Å; W86-K222 HydrophobicContact CH2-CG 4.37Å; W86-K222 HydrophobicContact CZ3-CB 3.84Å; W86-K222 HydrophobicContact CZ3-CG 3.75Å; W86-K222 PolarHBondContact O-NZ 2.83Å; F218-K222 HydrophobicContact CE1-CB 4.21Å; F218-K222 HydrophobicContact CE1-CD 3.97Å; F218-K222 HydrophobicContact CZ-CB 4.49Å; F218-K222 HydrophobicContact CZ-CD 4.35Å; F218-K222 WeakPolarHBondContact O-CB 3.42Å; F218-K222 PolarHBondContact O-N 3.3Å; R219-K222 PolarHBondContact O-N 3.48Å; K222-Y224 VanDerWaalsContact C-N 3.3Å; K222-Y224 PolarHBondContact O-N 2.82Å; K222-A225 PolarHBondContact O-N 2.67Å; K222-V226 HydrophobicContact CG-CG2 4.09Å; K222-V226 WeakPolarHBondContact O-CB 3.35Å; K222-V226 VanDerWaalsContact O-CG2 3.28Å; K222-V226 WeakPolarHBondContact O-CG2 3.48Å; K222-V226 PolarHBondContact O-N 3.18Å
223S84.7Confident71.7Confident31 Ų3155.3 Ų55.322%0.21728%0.278CS..Hα-helixtrans-60.1-41.7179.4-177.10000111.7R219 D220 N227 H229R219-S223 VanDerWaalsContact O-CB 3.24Å; R219-S223 WeakPolarHBondContact O-CB 3.49Å; R219-S223 PolarHBondContact O-N 3.34Å; D220-S223 PolarHBondContact O-N 2.89Å; S223-N227 WeakPolarHBondContact O-CA 3.3Å; S223-N227 VanDerWaalsContact O-CB 3.26Å; S223-N227 WeakPolarHBondContact O-CB 3.37Å; S223-N227 PolarHBondContact O-N 3.3Å; S223-H229 CarbonylContact C-O 3.58Å; S223-H229 PolarHBondContact OG-O 3.1Å
224Y83.6Confident73.4Confident20 Ų2053 Ų538%0.07827%0.265CS..Hα-helixtrans-63.6-46.9175.4-173.2-98000111.9D220 Y221 K222 V226 N228 L230 L351 I355 W445D220-Y224 WeakPolarHBondContact O-CB 3.47Å; D220-Y224 PolarHBondContact O-N 3.18Å; Y221-Y224 PolarHBondContact O-N 2.9Å; K222-Y224 VanDerWaalsContact C-N 3.3Å; K222-Y224 PolarHBondContact O-N 2.82Å; Y224-V226 PolarHBondContact O-N 3.18Å; Y224-N228 WeakPolarHBondContact O-CA 3.36Å; Y224-N228 PolarHBondContact O-N 3.22Å; Y224-L230 HydrophobicContact CD2-CD1 3.57Å; Y224-L230 HydrophobicContact CD2-CD2 4.44Å; Y224-L230 HydrophobicContact CD2-CG 3.74Å; Y224-L230 HydrophobicContact CE2-CD1 4.17Å; Y224-L230 HydrophobicContact CG-CD1 4.36Å; Y224-L230 HydrophobicContact CG-CG 4.43Å; Y224-L351 HydrophobicContact CD1-CB 4.11Å; Y224-L351 HydrophobicContact CD1-CD1 3.95Å; Y224-L351 HydrophobicContact CD1-CD2 3.8Å; Y224-L351 HydrophobicContact CD1-CG 4.16Å; Y224-L351 HydrophobicContact CE1-CB 3.82Å; Y224-L351 HydrophobicContact CE1-CD1 3.7Å; Y224-L351 HydrophobicContact CE1-CD2 4.29Å; Y224-L351 HydrophobicContact CE1-CG 4.14Å; Y224-L351 HydrophobicContact CG-CD2 4.48Å; Y224-I355 HydrophobicContact CD1-CD1 4.18Å; Y224-I355 HydrophobicContact CE1-CD1 3.67Å; Y224-W445 PolarHBondContact OH-O 3.4Å
225A84.9Confident74.9Confident6 Ų650.3 Ų50.35%0.0526%0.255CS..Hα-helixtrans-65.5-38.7-177.700000113.1W86 Y221 K222 L354 H358W86-A225 HydrophobicContact CH2-CB 3.97Å; Y221-A225 WeakPolarHBondContact O-CB 3.41Å; Y221-A225 PolarHBondContact O-N 3.15Å; K222-A225 PolarHBondContact O-N 2.67Å; A225-L354 HydrophobicContact CB-CB 3.86Å; A225-H358 PolarHBondContact O-CD2 2.79Å
226V82.7Confident76.9Confident57 Ų5749.5 Ų49.535%0.34525%0.25SC..Hα-helixtrans-84.6-44.1-176.6179.20000111.8W86 K222 Y224W86-V226 HydrophobicContact CH2-CG2 4.42Å; W86-V226 HydrophobicContact CZ2-CG2 4.39Å; K222-V226 HydrophobicContact CG-CG2 4.09Å; K222-V226 WeakPolarHBondContact O-CB 3.35Å; K222-V226 VanDerWaalsContact O-CG2 3.28Å; K222-V226 WeakPolarHBondContact O-CG2 3.48Å; K222-V226 PolarHBondContact O-N 3.18Å; Y224-V226 PolarHBondContact O-N 3.18Å
227N80Confident78.3Confident104 Ų10451 Ų5156%0.55625%0.254SS*.Hα-helixtrans-107-7.5-169.1-54.5-46.1000113.5S223 H229S223-N227 WeakPolarHBondContact O-CA 3.3Å; S223-N227 VanDerWaalsContact O-CB 3.26Å; S223-N227 WeakPolarHBondContact O-CB 3.37Å; S223-N227 PolarHBondContact O-N 3.3Å; N227-H229 HydrophobicContact CB-CB 4.09Å; N227-H229 PolarHBondContact O-N 2.74Å
228N74.5Confident79.1Confident118 Ų11853.1 Ų53.163%0.63126%0.263SS*.SBendtrans48.930.2-166.7-164.226.7000112.4Y224Y224-N228 WeakPolarHBondContact O-CA 3.36Å; Y224-N228 PolarHBondContact O-N 3.22Å
229H73.4Confident79.5Confident111 Ų11153 Ų5351%0.51426%0.262SS..  trans-135.2138-174.2-174.645.4000111.2S223 N227S223-H229 CarbonylContact C-O 3.58Å; S223-H229 PolarHBondContact OG-O 3.1Å; N227-H229 HydrophobicContact CB-CB 4.09Å; N227-H229 PolarHBondContact O-N 2.74Å
230L74.7Confident79.7Confident7 Ų748.5 Ų48.54%0.03725%0.246CC..  trans-127.7130.1174.6-70.8167.5000109.8D220 Y224 L236 R237 I240D220-L230 HydrophobicContact CB-CD2 4.38Å; D220-L230 WeakPolarHBondContact O-CD2 3.46Å; Y224-L230 HydrophobicContact CD2-CD1 3.57Å; Y224-L230 HydrophobicContact CD2-CD2 4.44Å; Y224-L230 HydrophobicContact CD2-CG 3.74Å; Y224-L230 HydrophobicContact CE2-CD1 4.17Å; Y224-L230 HydrophobicContact CG-CD1 4.36Å; Y224-L230 HydrophobicContact CG-CG 4.43Å; L230-L236 HydrophobicContact CD1-CB 4.34Å; L230-L236 HydrophobicContact CD1-CD2 4.05Å; L230-L236 HydrophobicContact CD1-CG 3.91Å; L230-L236 HydrophobicContact CD2-CB 4.32Å; L230-L236 HydrophobicContact CD2-CD2 4.03Å; L230-L236 HydrophobicContact CD2-CG 4.41Å; L230-R237 HydrophobicContact CB-CB 3.99Å; L230-R237 HydrophobicContact CD1-CB 4.15Å; L230-I240 HydrophobicContact CD1-CD1 3.72Å
231N72.1Confident79.8Confident102 Ų10247.3 Ų47.355%0.54524%0.24SC..  trans-60.8149.4173.4-62.8-11.2000110.5E233 S234 R237N231-E233 PolarHBondContact O-N 3.06Å; N231-E233 VanDerWaalsContact O-N 3.13Å; N231-S234 WeakPolarHBondContact O-CB 2.96Å; N231-S234 PolarHBondContact O-N 3.31Å; N231-R237 VanDerWaalsContact O-CD 3.25Å; N231-R237 WeakPolarHBondContact O-CD 3.41Å
232D66.9Low79.9Confident89 Ų8947.8 Ų47.848%0.47624%0.243SC..THydrogen-bonded Turntrans-58.9-28.4-179.6-89.2-24.8000112.9R237 R452D232-R237 IonicContact OD1-CZ 3.12Å; D232-R237 IonicContact OD1-NE 4Å; D232-R237 PolarHBondContact OD1-NE 3.1Å; D232-R237 IonicContact OD1-NH2 2.83Å; D232-R237 PolarHBondContact OD1-NH2 2.96Å; D232-R452 IonicContact OD2-NH1 2.64Å
233E69.2Low80.1Confident148 Ų14845.1 Ų45.169%0.69223%0.231SC*.THydrogen-bonded Turntrans-81.7-11.2177.9-62.1-170.4170.100114.3N231 N235 K238N231-E233 PolarHBondContact O-N 3.06Å; N231-E233 VanDerWaalsContact O-N 3.13Å; E233-N235 PolarHBondContact O-N 3.08Å; E233-K238 PolarHBondContact O-NZ 3.33Å
234S76.9Confident80.1Confident5 Ų545.1 Ų45.14%0.03523%0.229CC..  trans-56.2133.1-177.2166.10000111.8D220 N231 L236 R237 K238D220-S234 PolarHBondContact OD1-OG 3.12Å; D220-S234 WeakPolarHBondContact OD2-CB 3.49Å; D220-S234 PolarHBondContact OD2-OG 3.33Å; N231-S234 WeakPolarHBondContact O-CB 2.96Å; N231-S234 PolarHBondContact O-N 3.31Å; S234-L236 VanDerWaalsContact C-N 3.3Å; S234-L236 WeakPolarHBondContact OG-CB 2.85Å; S234-L236 PolarHBondContact OG-N 2.93Å; S234-L236 VanDerWaalsContact OG-N 3.1Å; S234-R237 PolarHBondContact O-N 3.46Å; S234-R237 PolarHBondContact OG-N 2.83Å; S234-R237 VanDerWaalsContact OG-N 3.15Å; S234-K238 WeakPolarHBondContact O-CG 3.45Å; S234-K238 PolarHBondContact O-N 2.93Å; S234-K238 VanDerWaalsContact O-N 3.1Å
235N77.7Confident80.3Confident16 Ų1644.5 Ų44.59%0.08623%0.227CC..Hα-helixtrans-69.4-33.4174.1-72.9-37000110.7Y214 S215 V216 D220 E233 K238 S239Y214-N235 PolarHBondContact O-ND2 3.15Å; S215-N235 PolarHBondContact O-ND2 2.81Å; V216-N235 HydrophobicContact CB-CB 4.2Å; V216-N235 HydrophobicContact CG2-CB 3.32Å; D220-N235 PolarHBondContact OD2-N 2.93Å; D220-N235 VanDerWaalsContact OD2-N 3.14Å; E233-N235 PolarHBondContact O-N 3.08Å; N235-K238 PolarHBondContact O-N 3.03Å; N235-S239 WeakPolarHBondContact O-CB 3.37Å; N235-S239 PolarHBondContact O-N 2.91Å
236L82.7Confident80.7Confident0 Ų044.3 Ų44.30%023%0.225CC..Hα-helixtrans-60.4-47.7172.6179.955.8000110.7V216 D220 Y221 L230 S234 K238 S239 I240 I347 L351V216-L236 HydrophobicContact CG1-CB 3.85Å; D220-L236 HydrophobicContact CB-CB 3.92Å; D220-L236 HydrophobicContact CB-CD2 4.43Å; D220-L236 PolarHBondContact OD2-N 2.95Å; Y221-L236 HydrophobicContact CD1-CD1 4.38Å; Y221-L236 HydrophobicContact CD1-CD2 3.61Å; Y221-L236 HydrophobicContact CE1-CD1 3.76Å; Y221-L236 HydrophobicContact CE1-CD2 3.86Å; Y221-L236 HydrophobicContact CE1-CG 4.38Å; Y221-L236 HydrophobicContact CG-CD2 4.46Å; L230-L236 HydrophobicContact CD1-CB 4.34Å; L230-L236 HydrophobicContact CD1-CD2 4.05Å; L230-L236 HydrophobicContact CD1-CG 3.91Å; L230-L236 HydrophobicContact CD2-CB 4.32Å; L230-L236 HydrophobicContact CD2-CD2 4.03Å; L230-L236 HydrophobicContact CD2-CG 4.41Å; S234-L236 VanDerWaalsContact C-N 3.3Å; S234-L236 WeakPolarHBondContact OG-CB 2.85Å; S234-L236 PolarHBondContact OG-N 2.93Å; S234-L236 VanDerWaalsContact OG-N 3.1Å; L236-K238 VanDerWaalsContact C-N 3.31Å; L236-K238 PolarHBondContact O-N 2.99Å; L236-S239 WeakPolarHBondContact O-CA 3.08Å; L236-S239 WeakPolarHBondContact O-CB 3.49Å; L236-S239 PolarHBondContact O-N 3.46Å; L236-S239 VanDerWaalsContact O-N 3.07Å; L236-I240 HydrophobicContact CD1-CD1 4.27Å; L236-I240 HydrophobicContact CD1-CG1 4.24Å; L236-I240 HydrophobicContact CG-CD1 4.07Å; L236-I240 HydrophobicContact CG-CG1 4.49Å; L236-I240 WeakPolarHBondContact O-CG1 3.5Å; L236-I240 PolarHBondContact O-N 3.11Å; L236-I347 HydrophobicContact CD1-CG2 3.76Å; L236-L351 HydrophobicContact CD1-CD1 4.48Å; L236-L351 HydrophobicContact CD2-CD1 4.5Å; L236-L351 HydrophobicContact CD2-CD2 4.08Å
237R81.7Confident81.1Confident43 Ų4342.2 Ų42.216%0.16221%0.213CC..Hα-helixtrans-57.6-44175.9-177.4177.6171.378-10.2112.2L230 N231 D232 S234 S239 I240 A241 I449L230-R237 HydrophobicContact CB-CB 3.99Å; L230-R237 HydrophobicContact CD1-CB 4.15Å; N231-R237 VanDerWaalsContact O-CD 3.25Å; N231-R237 WeakPolarHBondContact O-CD 3.41Å; D232-R237 IonicContact OD1-CZ 3.12Å; D232-R237 IonicContact OD1-NE 4Å; D232-R237 PolarHBondContact OD1-NE 3.1Å; D232-R237 IonicContact OD1-NH2 2.83Å; D232-R237 PolarHBondContact OD1-NH2 2.96Å; S234-R237 PolarHBondContact O-N 3.46Å; S234-R237 PolarHBondContact OG-N 2.83Å; S234-R237 VanDerWaalsContact OG-N 3.15Å; R237-S239 VanDerWaalsContact C-N 3.31Å; R237-S239 PolarHBondContact O-N 2.99Å; R237-I240 PolarHBondContact O-N 2.84Å; R237-A241 VanDerWaalsContact O-CB 3.31Å; R237-A241 WeakPolarHBondContact O-CB 3.43Å; R237-A241 PolarHBondContact O-N 3.47Å; R237-I449 HydrophobicContact CG-CG2 4.02Å
238K83.5Confident81.4Confident68 Ų6838.3 Ų38.330%0.29619%0.192SC..Hα-helixtrans-63.2-36.8176.2-70.1163.8-177.2156.60112.2L193 E233 S234 N235 L236 T242L193-K238 HydrophobicContact CD2-CB 4.2Å; E233-K238 PolarHBondContact O-NZ 3.33Å; S234-K238 WeakPolarHBondContact O-CG 3.45Å; S234-K238 PolarHBondContact O-N 2.93Å; S234-K238 VanDerWaalsContact O-N 3.1Å; N235-K238 PolarHBondContact O-N 3.03Å; L236-K238 VanDerWaalsContact C-N 3.31Å; L236-K238 PolarHBondContact O-N 2.99Å; K238-T242 WeakPolarHBondContact O-CB 3.33Å; K238-T242 PolarHBondContact O-N 3.46Å; K238-T242 PolarHBondContact O-OG1 2.82Å
239S86.7Confident82.1Confident3 Ų332.8 Ų32.82%0.02116%0.162CC..Hα-helixtrans-64.6-50.8173.8176.90000111.3N235 L236 R237 A241 T242 F243N235-S239 WeakPolarHBondContact O-CB 3.37Å; N235-S239 PolarHBondContact O-N 2.91Å; L236-S239 WeakPolarHBondContact O-CA 3.08Å; L236-S239 WeakPolarHBondContact O-CB 3.49Å; L236-S239 PolarHBondContact O-N 3.46Å; L236-S239 VanDerWaalsContact O-N 3.07Å; R237-S239 VanDerWaalsContact C-N 3.31Å; R237-S239 PolarHBondContact O-N 2.99Å; S239-A241 VanDerWaalsContact C-N 3.3Å; S239-A241 PolarHBondContact O-N 3.46Å; S239-T242 PolarHBondContact O-N 2.8Å; S239-T242 VanDerWaalsContact O-N 3.07Å; S239-F243 PolarHBondContact O-N 3.38Å
240I84.2Confident83.1Confident1 Ų127.5 Ų27.51%0.00514%0.138CC..Hα-helixtrans-59.5-42.9177.5-56.2166000110.8L230 L236 R237 T242 F243 N244 W445 A446 I449L230-I240 HydrophobicContact CD1-CD1 3.72Å; L236-I240 HydrophobicContact CD1-CD1 4.27Å; L236-I240 HydrophobicContact CD1-CG1 4.24Å; L236-I240 HydrophobicContact CG-CD1 4.07Å; L236-I240 HydrophobicContact CG-CG1 4.49Å; L236-I240 WeakPolarHBondContact O-CG1 3.5Å; L236-I240 PolarHBondContact O-N 3.11Å; R237-I240 PolarHBondContact O-N 2.84Å; I240-T242 VanDerWaalsContact C-N 3.33Å; I240-T242 PolarHBondContact O-N 2.78Å; I240-F243 WeakPolarHBondContact O-CB 3.36Å; I240-F243 PolarHBondContact O-N 2.92Å; I240-N244 PolarHBondContact O-N 3.37Å; I240-N244 VanDerWaalsContact O-N 3.09Å; I240-W445 HydrophobicContact CB-CZ3 4.32Å; I240-W445 HydrophobicContact CG1-CE3 4.41Å; I240-W445 HydrophobicContact CG1-CZ3 3.94Å; I240-W445 HydrophobicContact CG2-CE3 4.22Å; I240-W445 HydrophobicContact CG2-CZ3 3.93Å; I240-A446 HydrophobicContact CG2-CB 3.74Å; I240-I449 HydrophobicContact CB-CD1 4.33Å; I240-I449 HydrophobicContact CB-CG2 4.38Å; I240-I449 HydrophobicContact CD1-CD1 3.87Å; I240-I449 HydrophobicContact CG2-CB 4.06Å; I240-I449 HydrophobicContact CG2-CD1 3.95Å; I240-I449 HydrophobicContact CG2-CG1 4.42Å; I240-I449 HydrophobicContact CG2-CG2 4.29Å
241A83.4Confident83.9Confident2 Ų227.6 Ų27.62%0.01714%0.138CC..Hα-helixtrans-62.3-41.2175.900000112.3R237 S239 F243 N244 S245 I449 N451R237-A241 VanDerWaalsContact O-CB 3.31Å; R237-A241 WeakPolarHBondContact O-CB 3.43Å; R237-A241 PolarHBondContact O-N 3.47Å; S239-A241 VanDerWaalsContact C-N 3.3Å; S239-A241 PolarHBondContact O-N 3.46Å; A241-F243 VanDerWaalsContact C-N 3.34Å; A241-N244 PolarHBondContact O-N 2.96Å; A241-S245 VanDerWaalsContact O-CB 3.3Å; A241-S245 WeakPolarHBondContact O-CB 3.05Å; A241-S245 PolarHBondContact O-N 3.32Å; A241-S245 PolarHBondContact O-OG 3.44Å; A241-I449 HydrophobicContact CB-CG2 4.15Å; A241-N451 HydrophobicContact CB-CB 3.93Å
242T87.6Confident84.6Confident13 Ų1322.8 Ų22.88%0.0811%0.113CC..Hα-helixtrans-66.5-38.3177.4-60.10000111.2I189 L193 K238 S239 I240 S245 I246 L410I189-T242 HydrophobicContact CG2-CG2 4.12Å; L193-T242 HydrophobicContact CD1-CG2 4.06Å; L193-T242 VanDerWaalsContact CD1-OG1 3.24Å; L193-T242 WeakPolarHBondContact CD1-OG1 3.44Å; K238-T242 WeakPolarHBondContact O-CB 3.33Å; K238-T242 PolarHBondContact O-N 3.46Å; K238-T242 PolarHBondContact O-OG1 2.82Å; S239-T242 PolarHBondContact O-N 2.8Å; S239-T242 VanDerWaalsContact O-N 3.07Å; I240-T242 VanDerWaalsContact C-N 3.33Å; I240-T242 PolarHBondContact O-N 2.78Å; T242-S245 WeakPolarHBondContact O-CB 2.97Å; T242-S245 PolarHBondContact O-N 3.19Å; T242-I246 HydrophobicContact CG2-CD1 4.13Å; T242-I246 HydrophobicContact CG2-CG1 4.49Å; T242-I246 VanDerWaalsContact O-CG1 3.27Å; T242-I246 WeakPolarHBondContact O-CG1 3.34Å; T242-I246 PolarHBondContact O-N 2.84Å; T242-L410 HydrophobicContact CG2-CD1 4.35Å
243F90.1Very high85.6Confident3 Ų318.6 Ų18.61%0.0139%0.09CC..Hα-helixtrans-55.5-52172.5174.6-80.3000111.1S239 I240 A241 S245 I246 S247 N284 M287 A288 A443 W445 A446S239-F243 PolarHBondContact O-N 3.38Å; I240-F243 WeakPolarHBondContact O-CB 3.36Å; I240-F243 PolarHBondContact O-N 2.92Å; A241-F243 VanDerWaalsContact C-N 3.34Å; F243-S245 PolarHBondContact O-N 3.14Å; F243-I246 PolarHBondContact O-N 2.65Å; F243-S247 PolarHBondContact O-N 3.33Å; F243-N284 VanDerWaalsContact CE2-O 3.32Å; F243-N284 WeakPolarHBondContact CE2-O 3.3Å; F243-M287 HydrophobicContact CE2-CB 4.02Å; F243-M287 HydrophobicContact CE2-CG 3.97Å; F243-M287 HydrophobicContact CZ-CB 4.37Å; F243-M287 HydrophobicContact CZ-CG 3.88Å; F243-A288 HydrophobicContact CD2-CB 3.66Å; F243-A288 HydrophobicContact CE2-CB 3.6Å; F243-A288 HydrophobicContact CG-CB 4.16Å; F243-A288 HydrophobicContact CZ-CB 4.03Å; F243-A443 HydrophobicContact CE1-CB 3.41Å; F243-A443 VanDerWaalsContact CE1-CB 3.41Å; F243-A443 HydrophobicContact CZ-CB 3.52Å; F243-W445 HydrophobicContact CB-CH2 4.33Å; F243-W445 AromaticContact CD1-CH2 3.98Å; F243-W445 HydrophobicContact CD1-CH2 3.98Å; F243-W445 HydrophobicContact CD1-CZ2 4.22Å; F243-W445 AromaticContact CD2-CH2 3.71Å; F243-W445 HydrophobicContact CD2-CH2 3.71Å; F243-W445 AromaticContact CD2-CZ2 3.92Å; F243-W445 HydrophobicContact CD2-CZ2 3.92Å; F243-W445 HydrophobicContact CE1-CH2 4.26Å; F243-W445 HydrophobicContact CE1-CZ2 4.02Å; F243-W445 AromaticContact CE2-CH2 3.96Å; F243-W445 HydrophobicContact CE2-CH2 3.96Å; F243-W445 AromaticContact CE2-CZ2 3.66Å; F243-W445 HydrophobicContact CE2-CZ2 3.66Å; F243-W445 AromaticContact CG-CH2 3.74Å; F243-W445 HydrophobicContact CG-CH2 3.74Å; F243-W445 HydrophobicContact CG-CZ2 4.21Å; F243-W445 HydrophobicContact CZ-CH2 4.25Å; F243-W445 AromaticContact CZ-CZ2 3.74Å; F243-W445 HydrophobicContact CZ-CZ2 3.74Å; F243-A446 HydrophobicContact CD1-CB 3.92Å; F243-A446 HydrophobicContact CE1-CB 4.13Å
244N85.3Confident86.7Confident31 Ų3111.6 Ų11.617%0.1666%0.057CC..Hα-helixtrans-62.2-44177.8-72.7-25.2000112.2I240 A241 I246 S247 Q248 A446 I449I240-N244 PolarHBondContact O-N 3.37Å; I240-N244 VanDerWaalsContact O-N 3.09Å; A241-N244 PolarHBondContact O-N 2.96Å; N244-I246 VanDerWaalsContact C-N 3.29Å; N244-I246 PolarHBondContact O-N 3.34Å; N244-S247 PolarHBondContact O-N 2.9Å; N244-S247 VanDerWaalsContact O-N 3.14Å; N244-Q248 WeakPolarHBondContact O-CG 3.32Å; N244-Q248 PolarHBondContact O-N 2.98Å; N244-A446 PolarHBondContact ND2-O 3.33Å; N244-A446 WeakPolarHBondContact OD1-CB 3.19Å; N244-I449 PolarHBondContact ND2-O 2.78Å
245S88.6Confident87.3Confident7 Ų711.4 Ų11.45%0.0496%0.056CC..Hα-helixtrans-56.3-41.3175.9-82.10000112.7A241 T242 F243 W249 L410A241-S245 VanDerWaalsContact O-CB 3.3Å; A241-S245 WeakPolarHBondContact O-CB 3.05Å; A241-S245 PolarHBondContact O-N 3.32Å; A241-S245 PolarHBondContact O-OG 3.44Å; T242-S245 WeakPolarHBondContact O-CB 2.97Å; T242-S245 PolarHBondContact O-N 3.19Å; F243-S245 PolarHBondContact O-N 3.14Å; S245-W249 WeakPolarHBondContact O-CB 3.23Å; S245-W249 PolarHBondContact O-N 3.24Å; S245-L410 WeakPolarHBondContact CB-O 3.26Å; S245-L410 PolarHBondContact OG-O 3.49Å
246I91.9Very high87.6Confident2 Ų212.3 Ų12.31%0.016%0.061CC..Hα-helixtrans-62.1-48.6175.8-70.3164.7000109.5L186 T242 F243 N244 Q248 W249 I250 T285 A288 L410L186-I246 HydrophobicContact CD2-CD1 4.09Å; L186-I246 HydrophobicContact CD2-CG1 4.05Å; T242-I246 HydrophobicContact CG2-CD1 4.13Å; T242-I246 HydrophobicContact CG2-CG1 4.49Å; T242-I246 VanDerWaalsContact O-CG1 3.27Å; T242-I246 WeakPolarHBondContact O-CG1 3.34Å; T242-I246 PolarHBondContact O-N 2.84Å; F243-I246 PolarHBondContact O-N 2.65Å; N244-I246 VanDerWaalsContact C-N 3.29Å; N244-I246 PolarHBondContact O-N 3.34Å; I246-Q248 PolarHBondContact O-N 3.5Å; I246-W249 PolarHBondContact O-N 3.2Å; I246-I250 HydrophobicContact CG2-CD1 3.79Å; I246-I250 VanDerWaalsContact O-CG1 3.27Å; I246-I250 WeakPolarHBondContact O-CG1 3.38Å; I246-I250 PolarHBondContact O-N 3.49Å; I246-T285 HydrophobicContact CD1-CG2 4.29Å; I246-A288 HydrophobicContact CB-CB 4.23Å; I246-A288 HydrophobicContact CG2-CB 3.95Å; I246-L410 HydrophobicContact CB-CD2 4.2Å; I246-L410 HydrophobicContact CG1-CD1 3.85Å; I246-L410 HydrophobicContact CG1-CD2 3.61Å; I246-L410 HydrophobicContact CG1-CG 4.38Å
247S91.5Very high87.7Confident13 Ų1314.2 Ų14.29%0.0917%0.069CC..Hα-helixtrans-61.7-46.3-179.4-60.40000112.4F243 N244 I250 Q251 A288 A292F243-S247 PolarHBondContact O-N 3.33Å; N244-S247 PolarHBondContact O-N 2.9Å; N244-S247 VanDerWaalsContact O-N 3.14Å; S247-I250 PolarHBondContact O-N 3.48Å; S247-Q251 VanDerWaalsContact O-CG 3.22Å; S247-Q251 WeakPolarHBondContact O-CG 3.27Å; S247-Q251 PolarHBondContact O-N 3.13Å; S247-Q251 PolarHBondContact O-NE2 3.24Å; S247-A288 WeakPolarHBondContact OG-CA 3.13Å; S247-A288 PolarHBondContact OG-O 3.44Å; S247-A292 WeakPolarHBondContact O-CB 3.33Å
248Q87.5Confident87.9Confident23 Ų2315.9 Ų15.911%0.1079%0.087CC..Hα-helixtrans-66.4-39.7178.9-69.8-177.3-15.200112.3N244 I246 I250 Q251 C252 Y414 D416 I419N244-Q248 WeakPolarHBondContact O-CG 3.32Å; N244-Q248 PolarHBondContact O-N 2.98Å; I246-Q248 PolarHBondContact O-N 3.5Å; Q248-I250 VanDerWaalsContact C-N 3.35Å; Q248-I250 PolarHBondContact O-N 3.29Å; Q248-Q251 PolarHBondContact O-N 3.32Å; Q248-C252 WeakPolarHBondContact O-CB 3.16Å; Q248-C252 PolarHBondContact O-N 3.45Å; Q248-C252 PolarHBondContact O-SG 2.91Å; Q248-Y414 HydrophobicContact CB-CD2 4.17Å; Q248-Y414 PolarHBondContact NE2-O 3.4Å; Q248-Y414 VanDerWaalsContact NE2-O 3.12Å; Q248-Y414 PolarHBondContact OE1-O 2.89Å; Q248-D416 PolarHBondContact NE2-OD1 2.92Å; Q248-I419 HydrophobicContact CB-CD1 4.16Å; Q248-I419 HydrophobicContact CG-CD1 4.05Å
249W89.4Confident88.2Confident2 Ų218.5 Ų18.51%0.00810%0.099CC..Hα-helixtrans-60-45.3176.1171.668.1000111.4F174 W177 L182 S245 I246 C252 M253 F270 L406 L410F174-W249 HydrophobicContact CD2-CH2 4.27Å; F174-W249 HydrophobicContact CD2-CZ2 4.16Å; F174-W249 HydrophobicContact CE2-CH2 4.03Å; F174-W249 HydrophobicContact CE2-CZ2 4.25Å; W177-W249 HydrophobicContact CZ3-CZ2 4.45Å; L182-W249 HydrophobicContact CD2-CH2 4.02Å; S245-W249 WeakPolarHBondContact O-CB 3.23Å; S245-W249 PolarHBondContact O-N 3.24Å; I246-W249 PolarHBondContact O-N 3.2Å; W249-C252 PolarHBondContact O-N 3.29Å; W249-M253 HydrophobicContact CD2-CG 4.2Å; W249-M253 HydrophobicContact CG-CG 4.49Å; W249-M253 HydrophobicContact CZ2-CG 3.94Å; W249-M253 HydrophobicContact CZ2-SD 4.23Å; W249-M253 WeakPolarHBondContact O-CG 3.46Å; W249-M253 PolarHBondContact O-N 3.33Å; W249-F270 HydrophobicContact CH2-CE1 4.09Å; W249-F270 HydrophobicContact CH2-CZ 4.01Å; W249-F270 AromaticContact CZ3-CE1 3.8Å; W249-F270 HydrophobicContact CZ3-CE1 3.8Å; W249-F270 AromaticContact CZ3-CZ 3.93Å; W249-F270 HydrophobicContact CZ3-CZ 3.93Å; W249-L406 HydrophobicContact CH2-CD2 3.79Å; W249-L406 HydrophobicContact CZ2-CD2 4.02Å; W249-L406 HydrophobicContact CZ3-CD2 4.26Å; W249-L410 HydrophobicContact CB-CD2 3.87Å; W249-L410 HydrophobicContact CD2-CD2 4.23Å; W249-L410 HydrophobicContact CE3-CD2 4.17Å; W249-L410 HydrophobicContact CG-CD2 4.12Å
250I93Very high88.6Confident0 Ų019.5 Ų19.50%011%0.107CC..Hα-helixtrans-61.2-46.8176.6-68.7167.5000111.1I246 S247 Q248 C252 M253 I254 F270 V289 A292 L293I246-I250 HydrophobicContact CG2-CD1 3.79Å; I246-I250 VanDerWaalsContact O-CG1 3.27Å; I246-I250 WeakPolarHBondContact O-CG1 3.38Å; I246-I250 PolarHBondContact O-N 3.49Å; S247-I250 PolarHBondContact O-N 3.48Å; Q248-I250 VanDerWaalsContact C-N 3.35Å; Q248-I250 PolarHBondContact O-N 3.29Å; I250-C252 VanDerWaalsContact C-N 3.28Å; I250-C252 PolarHBondContact O-N 2.87Å; I250-M253 WeakPolarHBondContact O-CB 3.36Å; I250-M253 PolarHBondContact O-N 2.83Å; I250-I254 HydrophobicContact CG2-CD1 4.04Å; I250-I254 WeakPolarHBondContact O-CG1 3.3Å; I250-I254 PolarHBondContact O-N 3.22Å; I250-F270 HydrophobicContact CB-CE2 4.31Å; I250-F270 HydrophobicContact CB-CZ 4.33Å; I250-F270 HydrophobicContact CD1-CD1 4.16Å; I250-F270 HydrophobicContact CD1-CE1 4.22Å; I250-F270 HydrophobicContact CG1-CD1 4Å; I250-F270 HydrophobicContact CG1-CE1 3.67Å; I250-F270 HydrophobicContact CG1-CE2 4.21Å; I250-F270 HydrophobicContact CG1-CG 4.43Å; I250-F270 HydrophobicContact CG1-CZ 3.78Å; I250-F270 HydrophobicContact CG2-CD1 4.37Å; I250-F270 HydrophobicContact CG2-CD2 3.68Å; I250-F270 HydrophobicContact CG2-CE2 3.86Å; I250-F270 HydrophobicContact CG2-CG 3.95Å; I250-F270 HydrophobicContact CG2-CZ 4.3Å; I250-V289 HydrophobicContact CD1-CB 4.1Å; I250-V289 HydrophobicContact CD1-CG1 4.2Å; I250-V289 HydrophobicContact CD1-CG2 3.68Å; I250-A292 HydrophobicContact CB-CB 3.83Å; I250-A292 HydrophobicContact CD1-CB 4.27Å; I250-A292 HydrophobicContact CG2-CB 3.72Å; I250-L293 HydrophobicContact CG2-CD2 4.18Å
251Q91.1Very high89.1Confident8 Ų822.1 Ų22.14%0.03713%0.125CC..Hα-helixtrans-58.2-43.3177.4-67.416632.900111S247 Q248 I254 L255 A292 H295 I298 I419S247-Q251 VanDerWaalsContact O-CG 3.22Å; S247-Q251 WeakPolarHBondContact O-CG 3.27Å; S247-Q251 PolarHBondContact O-N 3.13Å; S247-Q251 PolarHBondContact O-NE2 3.24Å; Q248-Q251 PolarHBondContact O-N 3.32Å; Q251-I254 PolarHBondContact O-N 2.89Å; Q251-L255 WeakPolarHBondContact O-CB 3.37Å; Q251-L255 VanDerWaalsContact O-CG 3.3Å; Q251-L255 WeakPolarHBondContact O-CG 3.48Å; Q251-L255 PolarHBondContact O-N 3.09Å; Q251-A292 HydrophobicContact CG-CB 4.18Å; Q251-H295 HydrophobicContact CG-CB 4.38Å; Q251-H295 PolarHBondContact OE1-ND1 3.22Å; Q251-I298 HydrophobicContact CB-CD1 4.34Å; Q251-I298 HydrophobicContact CB-CG1 4.43Å; Q251-I298 HydrophobicContact CG-CG1 4.06Å; Q251-I419 HydrophobicContact CB-CD1 4.45Å; Q251-I419 HydrophobicContact CB-CG2 3.96Å
252C87.6Confident89.6Confident2 Ų224.6 Ų24.61%0.01414%0.137CC..Hα-helixtrans-68.8-39.3177.5-66.50000112.5Q248 W249 I250 I254 L255 N256 Y414 P494Q248-C252 WeakPolarHBondContact O-CB 3.16Å; Q248-C252 PolarHBondContact O-N 3.45Å; Q248-C252 PolarHBondContact O-SG 2.91Å; W249-C252 PolarHBondContact O-N 3.29Å; I250-C252 VanDerWaalsContact C-N 3.28Å; I250-C252 PolarHBondContact O-N 2.87Å; C252-I254 VanDerWaalsContact C-N 3.28Å; C252-I254 PolarHBondContact O-N 3.44Å; C252-L255 PolarHBondContact O-N 3.02Å; C252-N256 VanDerWaalsContact O-CB 3.25Å; C252-N256 WeakPolarHBondContact O-CB 3.34Å; C252-N256 PolarHBondContact O-N 3.03Å; C252-Y414 HydrophobicContact CB-CE2 4.26Å; C252-Y414 VanDerWaalsContact SG-CG 3.53Å; C252-P494 HydrophobicContact CB-CB 3.58Å; C252-P494 HydrophobicContact CB-CG 3.96Å
253M88.4Confident90Very high1 Ų124.2 Ų24.21%0.00513%0.134CC..Hα-helixtrans-56.3-44.1174.6-79.8-63-50.200111.3F174 W249 I250 V266 F270 P494F174-M253 HydrophobicContact CB-CE 4.23Å; F174-M253 HydrophobicContact CD1-CE 3.37Å; F174-M253 HydrophobicContact CD2-CE 3.77Å; F174-M253 HydrophobicContact CE1-CE 3.56Å; F174-M253 HydrophobicContact CE2-CE 3.94Å; F174-M253 HydrophobicContact CG-CE 3.48Å; F174-M253 VanDerWaalsContact CG-CE 3.48Å; F174-M253 HydrophobicContact CZ-CE 3.85Å; W249-M253 HydrophobicContact CD2-CG 4.2Å; W249-M253 HydrophobicContact CG-CG 4.49Å; W249-M253 HydrophobicContact CZ2-CG 3.94Å; W249-M253 HydrophobicContact CZ2-SD 4.23Å; W249-M253 WeakPolarHBondContact O-CG 3.46Å; W249-M253 PolarHBondContact O-N 3.33Å; I250-M253 WeakPolarHBondContact O-CB 3.36Å; I250-M253 PolarHBondContact O-N 2.83Å; M253-V266 HydrophobicContact CB-CG1 4.29Å; M253-F270 HydrophobicContact CB-CE2 3.94Å; M253-F270 HydrophobicContact CB-CZ 4.26Å; M253-F270 HydrophobicContact CG-CE2 4.47Å; M253-F270 HydrophobicContact CG-CZ 4.29Å; M253-P494 HydrophobicContact CB-CG 4.34Å; M253-P494 HydrophobicContact CG-CG 3.67Å; M253-P494 VanDerWaalsContact SD-CD 3.5Å; M253-P494 HydrophobicContact SD-CG 3.41Å; M253-P494 WeakPolarHBondContact SD-CG 3.4Å
254I92.3Very high90.3Very high0 Ų024.2 Ų24.20%013%0.134CC..Hα-helixtrans-66-54.4176.2-63161.5000109.7I250 Q251 C252 N256 K257 R263 V266 I267 L293 I298I250-I254 HydrophobicContact CG2-CD1 4.04Å; I250-I254 WeakPolarHBondContact O-CG1 3.3Å; I250-I254 PolarHBondContact O-N 3.22Å; Q251-I254 PolarHBondContact O-N 2.89Å; C252-I254 VanDerWaalsContact C-N 3.28Å; C252-I254 PolarHBondContact O-N 3.44Å; I254-N256 PolarHBondContact O-N 3.32Å; I254-N256 VanDerWaalsContact O-N 3.14Å; I254-K257 PolarHBondContact O-N 2.86Å; I254-K257 VanDerWaalsContact O-N 3.12Å; I254-R263 HydrophobicContact CG2-CB 4.11Å; I254-R263 HydrophobicContact CG2-CG 4.24Å; I254-R263 WeakPolarHBondContact O-CD 3.41Å; I254-R263 VanDerWaalsContact O-CG 3.28Å; I254-R263 WeakPolarHBondContact O-CG 3.38Å; I254-V266 HydrophobicContact CG1-CB 4.31Å; I254-V266 HydrophobicContact CG1-CG1 3.69Å; I254-I267 HydrophobicContact CD1-CG1 3.78Å; I254-I267 HydrophobicContact CG1-CG1 4.07Å; I254-I267 HydrophobicContact CG2-CD1 4.3Å; I254-I267 HydrophobicContact CG2-CG1 4.14Å; I254-L293 HydrophobicContact CD1-CD2 3.74Å; I254-I298 HydrophobicContact CB-CD1 4.16Å; I254-I298 HydrophobicContact CD1-CD1 4.25Å; I254-I298 HydrophobicContact CD1-CG1 4.38Å; I254-I298 HydrophobicContact CD1-CG2 4.23Å; I254-I298 HydrophobicContact CG2-CD1 4.07Å
255L88.6Confident90.8Very high2 Ų228.9 Ų28.91%0.0116%0.155CC..Hα-helixtrans-68.3-15.3-175.4-66.9175.5000114.1Q251 C252 K257 I298 L301 I419 L422 R426Q251-L255 WeakPolarHBondContact O-CB 3.37Å; Q251-L255 VanDerWaalsContact O-CG 3.3Å; Q251-L255 WeakPolarHBondContact O-CG 3.48Å; Q251-L255 PolarHBondContact O-N 3.09Å; C252-L255 PolarHBondContact O-N 3.02Å; L255-K257 VanDerWaalsContact C-N 3.3Å; L255-I298 HydrophobicContact CD1-CD1 4.28Å; L255-I298 HydrophobicContact CD2-CD1 4.17Å; L255-I298 HydrophobicContact CG-CD1 3.91Å; L255-L301 HydrophobicContact CD2-CD1 3.87Å; L255-I419 HydrophobicContact CD1-CG2 3.59Å; L255-I419 VanDerWaalsContact CD1-O 3.27Å; L255-I419 WeakPolarHBondContact CD1-O 3.09Å; L255-L422 HydrophobicContact CD1-CB 4.13Å; L255-R426 HydrophobicContact CD2-CG 4.25Å; L255-R426 PolarHBondContact O-NE 2.88Å; L255-R426 PolarHBondContact O-NH2 3.16Å; L255-R426 VanDerWaalsContact O-NH2 3.08Å
256N84.8Confident91.1Very high34 Ų3428.8 Ų28.818%0.18216%0.155CC..Hα-helixtrans-66.6-32.9173.7-163.840.4000111.6C252 I254 P494 L495C252-N256 VanDerWaalsContact O-CB 3.25Å; C252-N256 WeakPolarHBondContact O-CB 3.34Å; C252-N256 PolarHBondContact O-N 3.03Å; I254-N256 PolarHBondContact O-N 3.32Å; I254-N256 VanDerWaalsContact O-N 3.14Å; N256-P494 HydrophobicContact CB-CB 4.38Å; N256-L495 PolarHBondContact OD1-N 3.13Å
257K84.9Confident91.4Very high40 Ų4028.9 Ų28.917%0.17416%0.155CC..  trans-76.3133.9178.7-54-68.4-173.5169.90111D175 I254 L255 E262 R263 V266D175-K257 IonicContact OD1-NZ 3.89Å; I254-K257 PolarHBondContact O-N 2.86Å; I254-K257 VanDerWaalsContact O-N 3.12Å; L255-K257 VanDerWaalsContact C-N 3.3Å; K257-E262 HydrophobicContact CB-CB 3.85Å; K257-E262 HydrophobicContact CD-CB 4.4Å; K257-E262 HydrophobicContact CG-CB 4.22Å; K257-R263 HydrophobicContact CB-CG 3.82Å; K257-R263 WeakPolarHBondContact O-CG 3.36Å; K257-R263 PolarHBondContact O-NH1 3.49Å; K257-V266 HydrophobicContact CG-CG2 3.89Å
258S85.6Confident91.6Very high78 Ų7829.8 Ų29.855%0.54516%0.16SC..  trans-82.5-39.5-171.967.90000112.5R263S258-R263 PolarHBondContact O-NH1 3.33Å
259K90.2Very high92.1Very high123 Ų12330.2 Ų30.254%0.53516%0.161SC..SBendtrans-86.9148.4-178.6-59.6-175.7-166.7153.90111.6S261 E262 R263K259-S261 VanDerWaalsContact C-N 3.35Å; K259-S261 PolarHBondContact O-N 3.34Å; K259-E262 HydrophobicContact CB-CB 4.36Å; K259-E262 HydrophobicContact CB-CG 4.07Å; K259-E262 WeakPolarHBondContact CD-OE1 3.48Å; K259-E262 IonicContact NZ-OE1 2.78Å; K259-E262 PolarHBondContact NZ-OE1 2.72Å; K259-E262 PolarHBondContact O-N 2.65Å; K259-R263 WeakPolarHBondContact O-CG 3.22Å; K259-R263 PolarHBondContact O-N 3.37Å; K259-R263 VanDerWaalsContact O-N 3.14Å; K259-R263 PolarHBondContact O-NH1 3.29Å
260A94.3Very high92.5Very high24 Ų2430.1 Ų30.120%0.19816%0.161CC..Hα-helixtrans-64.7-37.5-179.300000112.9R263 A264 R303 T304A260-R263 PolarHBondContact O-N 3.12Å; A260-A264 PolarHBondContact O-N 3.21Å; A260-R303 HydrophobicContact CB-CB 4.32Å; A260-T304 WeakPolarHBondContact CA-OG1 3.18Å; A260-T304 PolarHBondContact O-OG1 2.93Å
261S95.8Very high92.7Very high56 Ų5630.1 Ų30.139%0.39216%0.161SC..Hα-helixtrans-64.3-48.9176.453.20000112.3K259 R263 A264 E265K259-S261 VanDerWaalsContact C-N 3.35Å; K259-S261 PolarHBondContact O-N 3.34Å; S261-R263 VanDerWaalsContact C-N 3.26Å; S261-R263 PolarHBondContact O-N 3.19Å; S261-A264 WeakPolarHBondContact O-CA 3.36Å; S261-A264 WeakPolarHBondContact O-CB 3.32Å; S261-A264 PolarHBondContact O-N 2.66Å; S261-E265 PolarHBondContact O-N 3.49Å
262E93.6Very high93.1Very high55 Ų5533.1 Ų33.126%0.25717%0.172SC..Hα-helixtrans-60.1-37.4176.9-65.7168.9-170.200111.5K257 K259 A264 E265 V266K257-E262 HydrophobicContact CB-CB 3.85Å; K257-E262 HydrophobicContact CD-CB 4.4Å; K257-E262 HydrophobicContact CG-CB 4.22Å; K259-E262 HydrophobicContact CB-CB 4.36Å; K259-E262 HydrophobicContact CB-CG 4.07Å; K259-E262 WeakPolarHBondContact CD-OE1 3.48Å; K259-E262 IonicContact NZ-OE1 2.78Å; K259-E262 PolarHBondContact NZ-OE1 2.72Å; K259-E262 PolarHBondContact O-N 2.65Å; E262-A264 VanDerWaalsContact C-N 3.35Å; E262-E265 PolarHBondContact O-N 2.85Å; E262-V266 WeakPolarHBondContact O-CG2 3.5Å; E262-V266 PolarHBondContact O-N 3.04Å
263R95.1Very high93.5Very high4 Ų433 Ų332%0.01517%0.171CC..Hα-helixtrans-63.7-40.6172.3-71.4-162.7-63.1-82.71.2112.2I254 K257 S258 K259 A260 S261 E265 V266 I267 T304 E427I254-R263 HydrophobicContact CG2-CB 4.11Å; I254-R263 HydrophobicContact CG2-CG 4.24Å; I254-R263 WeakPolarHBondContact O-CD 3.41Å; I254-R263 VanDerWaalsContact O-CG 3.28Å; I254-R263 WeakPolarHBondContact O-CG 3.38Å; K257-R263 HydrophobicContact CB-CG 3.82Å; K257-R263 WeakPolarHBondContact O-CG 3.36Å; K257-R263 PolarHBondContact O-NH1 3.49Å; S258-R263 PolarHBondContact O-NH1 3.33Å; K259-R263 WeakPolarHBondContact O-CG 3.22Å; K259-R263 PolarHBondContact O-N 3.37Å; K259-R263 VanDerWaalsContact O-N 3.14Å; K259-R263 PolarHBondContact O-NH1 3.29Å; A260-R263 PolarHBondContact O-N 3.12Å; S261-R263 VanDerWaalsContact C-N 3.26Å; S261-R263 PolarHBondContact O-N 3.19Å; R263-E265 VanDerWaalsContact C-N 3.32Å; R263-V266 PolarHBondContact O-N 3.01Å; R263-I267 WeakPolarHBondContact O-CG1 3.34Å; R263-I267 PolarHBondContact O-N 3.04Å; R263-T304 HydrophobicContact CB-CG2 3.62Å; R263-T304 VanDerWaalsContact CZ-OG1 3.29Å; R263-T304 PolarHBondContact NE-OG1 3.38Å; R263-T304 PolarHBondContact NH2-OG1 3.35Å; R263-T304 VanDerWaalsContact NH2-OG1 3.08Å; R263-E427 IonicContact CZ-OE1 3.9Å; R263-E427 IonicContact NE-OE1 2.97Å; R263-E427 IonicContact NH2-OE1 2.83Å; R263-E427 PolarHBondContact NH2-OE1 2.92Å
264A96.9Very high94Very high3 Ų333 Ų333%0.02517%0.171CC..Hα-helixtrans-66.7-34.3179.600000112.2A260 S261 E262 I267 T268 T304 C307 V308A260-A264 PolarHBondContact O-N 3.21Å; S261-A264 WeakPolarHBondContact O-CA 3.36Å; S261-A264 WeakPolarHBondContact O-CB 3.32Å; S261-A264 PolarHBondContact O-N 2.66Å; E262-A264 VanDerWaalsContact C-N 3.35Å; A264-I267 PolarHBondContact O-N 3.45Å; A264-T268 WeakPolarHBondContact O-CB 3.07Å; A264-T268 PolarHBondContact O-N 3.21Å; A264-T268 PolarHBondContact O-OG1 2.65Å; A264-T304 HydrophobicContact CB-CG2 4.19Å; A264-C307 HydrophobicContact CB-CB 3.58Å; A264-V308 HydrophobicContact CB-CG2 3.68Å
265E95.9Very high94.3Very high129 Ų12935.3 Ų35.360%0.60318%0.182SC*.Hα-helixtrans-62.2-45.3171.6-70.1167.6-163.800111.4S261 E262 R263 I267 T268 K269S261-E265 PolarHBondContact O-N 3.49Å; E262-E265 PolarHBondContact O-N 2.85Å; R263-E265 VanDerWaalsContact C-N 3.32Å; E265-I267 PolarHBondContact O-N 3.3Å; E265-T268 WeakPolarHBondContact O-CB 3.17Å; E265-T268 PolarHBondContact O-N 3.34Å; E265-K269 PolarHBondContact O-N 3.12Å
266V95.1Very high94.7Very high6 Ų636.6 Ų36.64%0.03619%0.189CC..Hα-helixtrans-63.7-42.2176.5179.20000111.3F174 M253 I254 K257 E262 R263 T268 K269 F270F174-V266 HydrophobicContact CE1-CG1 4.42Å; F174-V266 HydrophobicContact CZ-CG1 4.39Å; M253-V266 HydrophobicContact CB-CG1 4.29Å; I254-V266 HydrophobicContact CG1-CB 4.31Å; I254-V266 HydrophobicContact CG1-CG1 3.69Å; K257-V266 HydrophobicContact CG-CG2 3.89Å; E262-V266 WeakPolarHBondContact O-CG2 3.5Å; E262-V266 PolarHBondContact O-N 3.04Å; R263-V266 PolarHBondContact O-N 3.01Å; V266-T268 VanDerWaalsContact C-N 3.34Å; V266-T268 PolarHBondContact O-N 2.88Å; V266-K269 PolarHBondContact O-N 3.44Å; V266-F270 HydrophobicContact CG1-CD2 3.76Å; V266-F270 HydrophobicContact CG1-CE2 3.55Å; V266-F270 VanDerWaalsContact O-CD2 3.27Å; V266-F270 WeakPolarHBondContact O-CD2 3.44Å; V266-F270 PolarHBondContact O-N 2.93Å; V266-F270 VanDerWaalsContact O-N 3.07Å
267I97.2Very high95.3Very high3 Ų335 Ų352%0.01518%0.18CC..Hα-helixtrans-58.8-48.1173.6-71.5170.8000110.3I254 R263 A264 E265 K269 F270 V271 L293 I298 T304 M305 V308I254-I267 HydrophobicContact CD1-CG1 3.78Å; I254-I267 HydrophobicContact CG1-CG1 4.07Å; I254-I267 HydrophobicContact CG2-CD1 4.3Å; I254-I267 HydrophobicContact CG2-CG1 4.14Å; R263-I267 WeakPolarHBondContact O-CG1 3.34Å; R263-I267 PolarHBondContact O-N 3.04Å; A264-I267 PolarHBondContact O-N 3.45Å; E265-I267 PolarHBondContact O-N 3.3Å; I267-K269 VanDerWaalsContact C-N 3.29Å; I267-K269 PolarHBondContact O-N 3.49Å; I267-F270 PolarHBondContact O-N 3.39Å; I267-F270 VanDerWaalsContact O-N 3.12Å; I267-V271 HydrophobicContact CG2-CG2 4.44Å; I267-V271 WeakPolarHBondContact O-CG2 3.48Å; I267-V271 PolarHBondContact O-N 2.93Å; I267-L293 HydrophobicContact CG1-CD2 4.43Å; I267-L293 HydrophobicContact CG2-CD2 4.41Å; I267-I298 HydrophobicContact CD1-CG2 4.17Å; I267-T304 HydrophobicContact CD1-CG2 3.5Å; I267-T304 VanDerWaalsContact CD1-CG2 3.5Å; I267-M305 HydrophobicContact CD1-SD 4.27Å; I267-V308 HydrophobicContact CB-CG2 4.27Å; I267-V308 HydrophobicContact CD1-CG2 4.29Å; I267-V308 HydrophobicContact CG2-CG1 4.38Å; I267-V308 HydrophobicContact CG2-CG2 3.99Å
268T97.4Very high95.8Very high32 Ų3237.4 Ų37.420%0.19619%0.191CC..Hα-helixtrans-57.8-44.4179.8-60.60000111.1A264 E265 V266 F270 V271 R272 V312A264-T268 WeakPolarHBondContact O-CB 3.07Å; A264-T268 PolarHBondContact O-N 3.21Å; A264-T268 PolarHBondContact O-OG1 2.65Å; E265-T268 WeakPolarHBondContact O-CB 3.17Å; E265-T268 PolarHBondContact O-N 3.34Å; V266-T268 VanDerWaalsContact C-N 3.34Å; V266-T268 PolarHBondContact O-N 2.88Å; T268-F270 PolarHBondContact O-N 3.17Å; T268-V271 PolarHBondContact O-N 3.01Å; T268-R272 WeakPolarHBondContact O-CG 3.21Å; T268-R272 PolarHBondContact O-N 2.9Å; T268-V312 HydrophobicContact CG2-CG1 4.14Å; T268-V312 HydrophobicContact CG2-CG2 3.78Å
269K96.6Very high96.3Very high33 Ų3340.4 Ų40.414%0.14320%0.196CC..Hα-helixtrans-59.1-45.6175.9-171.8167.8-172.2158.40112.2F174 D175 W177 P179 E265 V266 I267 V271 R272 V273F174-K269 HydrophobicContact CE1-CD 3.9Å; F174-K269 HydrophobicContact CZ-CD 3.87Å; F174-K269 PolarHBondContact O-NZ 3.15Å; D175-K269 PolarHBondContact O-NZ 3.45Å; W177-K269 WeakPolarHBondContact O-CE 3.37Å; W177-K269 PolarHBondContact O-NZ 3.32Å; P179-K269 HydrophobicContact CG-CG 4.38Å; E265-K269 PolarHBondContact O-N 3.12Å; V266-K269 PolarHBondContact O-N 3.44Å; I267-K269 VanDerWaalsContact C-N 3.29Å; I267-K269 PolarHBondContact O-N 3.49Å; K269-V271 PolarHBondContact O-N 3.49Å; K269-R272 CarbonylContact O-C 3.51Å; K269-R272 WeakPolarHBondContact O-CB 3.35Å; K269-R272 PolarHBondContact O-N 3.21Å; K269-R272 VanDerWaalsContact O-N 3.16Å; K269-V273 WeakPolarHBondContact O-CG2 3.43Å; K269-V273 PolarHBondContact O-N 3.45Å
270F97.7Very high96.4Very high0 Ų036.2 Ų36.20%018%0.18CC..Hα-helixtrans-70.7-27.5178.9-76.4-59.1000113.8F174 W249 I250 M253 V266 I267 T268 V273 A274 V289 L293F174-F270 HydrophobicContact CE2-CE1 4.14Å; F174-F270 HydrophobicContact CE2-CE2 4.31Å; F174-F270 AromaticContact CE2-CZ 3.63Å; F174-F270 HydrophobicContact CE2-CZ 3.63Å; F174-F270 HydrophobicContact CZ-CE1 4.34Å; F174-F270 AromaticContact CZ-CE2 3.89Å; F174-F270 HydrophobicContact CZ-CE2 3.89Å; F174-F270 AromaticContact CZ-CZ 3.67Å; F174-F270 HydrophobicContact CZ-CZ 3.67Å; W249-F270 HydrophobicContact CH2-CE1 4.09Å; W249-F270 HydrophobicContact CH2-CZ 4.01Å; W249-F270 AromaticContact CZ3-CE1 3.8Å; W249-F270 HydrophobicContact CZ3-CE1 3.8Å; W249-F270 AromaticContact CZ3-CZ 3.93Å; W249-F270 HydrophobicContact CZ3-CZ 3.93Å; I250-F270 HydrophobicContact CB-CE2 4.31Å; I250-F270 HydrophobicContact CB-CZ 4.33Å; I250-F270 HydrophobicContact CD1-CD1 4.16Å; I250-F270 HydrophobicContact CD1-CE1 4.22Å; I250-F270 HydrophobicContact CG1-CD1 4Å; I250-F270 HydrophobicContact CG1-CE1 3.67Å; I250-F270 HydrophobicContact CG1-CE2 4.21Å; I250-F270 HydrophobicContact CG1-CG 4.43Å; I250-F270 HydrophobicContact CG1-CZ 3.78Å; I250-F270 HydrophobicContact CG2-CD1 4.37Å; I250-F270 HydrophobicContact CG2-CD2 3.68Å; I250-F270 HydrophobicContact CG2-CE2 3.86Å; I250-F270 HydrophobicContact CG2-CG 3.95Å; I250-F270 HydrophobicContact CG2-CZ 4.3Å; M253-F270 HydrophobicContact CB-CE2 3.94Å; M253-F270 HydrophobicContact CB-CZ 4.26Å; M253-F270 HydrophobicContact CG-CE2 4.47Å; M253-F270 HydrophobicContact CG-CZ 4.29Å; V266-F270 HydrophobicContact CG1-CD2 3.76Å; V266-F270 HydrophobicContact CG1-CE2 3.55Å; V266-F270 VanDerWaalsContact O-CD2 3.27Å; V266-F270 WeakPolarHBondContact O-CD2 3.44Å; V266-F270 PolarHBondContact O-N 2.93Å; V266-F270 VanDerWaalsContact O-N 3.07Å; I267-F270 PolarHBondContact O-N 3.39Å; I267-F270 VanDerWaalsContact O-N 3.12Å; T268-F270 PolarHBondContact O-N 3.17Å; F270-V273 HydrophobicContact CD1-CB 4.43Å; F270-V273 HydrophobicContact CD1-CG2 4.19Å; F270-V273 WeakPolarHBondContact O-CB 3.15Å; F270-V273 PolarHBondContact O-N 3.25Å; F270-A274 PolarHBondContact O-N 2.64Å; F270-V289 HydrophobicContact CB-CG1 4.32Å; F270-V289 WeakPolarHBondContact O-CG1 3.15Å; F270-L293 HydrophobicContact CB-CD1 4.12Å; F270-L293 HydrophobicContact CB-CD2 4Å; F270-L293 HydrophobicContact CB-CG 4.47Å
271V98.2Very high96.4Very high0 Ų037.2 Ų37.20%018%0.18CC..Hα-helixtrans-64.9-41.4168.1176.20000110.5I267 T268 K269 V273 A274 Q275 L293 V312 E315 L316 Y319I267-V271 HydrophobicContact CG2-CG2 4.44Å; I267-V271 WeakPolarHBondContact O-CG2 3.48Å; I267-V271 PolarHBondContact O-N 2.93Å; T268-V271 PolarHBondContact O-N 3.01Å; K269-V271 PolarHBondContact O-N 3.49Å; V271-V273 VanDerWaalsContact C-N 3.32Å; V271-V273 PolarHBondContact O-N 2.96Å; V271-A274 WeakPolarHBondContact O-CB 3.47Å; V271-A274 PolarHBondContact O-N 3.35Å; V271-Q275 PolarHBondContact O-N 2.78Å; V271-L293 HydrophobicContact CG2-CD1 3.79Å; V271-V312 HydrophobicContact CB-CG1 3.8Å; V271-V312 HydrophobicContact CG1-CG1 3.91Å; V271-V312 HydrophobicContact CG2-CG1 3.82Å; V271-E315 HydrophobicContact CG1-CB 3.93Å; V271-L316 HydrophobicContact CG2-CB 4.11Å; V271-L316 HydrophobicContact CG2-CD1 4.43Å; V271-Y319 HydrophobicContact CG1-CE2 4.15Å
272R98.2Very high96.3Very high71 Ų7134.5 Ų34.527%0.26816%0.161SC..Hα-helixtrans-65.5-33.2172.6-60.2-57.3-175.5-170.7-3.9112.4P179 T268 K269 Q275 N276 E311 E315P179-R272 HydrophobicContact CB-CB 3.76Å; P179-R272 HydrophobicContact CG-CB 3.77Å; T268-R272 WeakPolarHBondContact O-CG 3.21Å; T268-R272 PolarHBondContact O-N 2.9Å; K269-R272 CarbonylContact O-C 3.51Å; K269-R272 WeakPolarHBondContact O-CB 3.35Å; K269-R272 PolarHBondContact O-N 3.21Å; K269-R272 VanDerWaalsContact O-N 3.16Å; R272-Q275 WeakPolarHBondContact O-CB 3.28Å; R272-Q275 PolarHBondContact O-N 3.34Å; R272-N276 PolarHBondContact O-N 2.53Å; R272-N276 VanDerWaalsContact O-N 3.15Å; R272-N276 PolarHBondContact O-ND2 2.96Å; R272-E311 IonicContact NH2-OE1 3.52Å; R272-E311 PolarHBondContact NH2-OE1 3.33Å; R272-E315 IonicContact CZ-OE1 2.74Å; R272-E315 IonicContact CZ-OE2 3.42Å; R272-E315 VanDerWaalsContact NH1-CD 3.32Å; R272-E315 IonicContact NH1-OE1 3.32Å; R272-E315 PolarHBondContact NH1-OE1 3.05Å; R272-E315 IonicContact NH1-OE2 3.39Å; R272-E315 PolarHBondContact NH1-OE2 2.89Å; R272-E315 VanDerWaalsContact NH1-OE2 3.09Å
273V98Very high96.5Very high0 Ų032.2 Ų32.20%015%0.15CC..Hα-helixtrans-63.4-44.6171174.90000110.4P179 L182 A183 K269 F270 V271 Q275 N276 L277P179-V273 HydrophobicContact CB-CG2 3.92Å; L182-V273 HydrophobicContact CB-CG1 4.36Å; L182-V273 HydrophobicContact CB-CG2 3.88Å; L182-V273 HydrophobicContact CD1-CG2 3.9Å; A183-V273 HydrophobicContact CB-CG1 4.24Å; K269-V273 WeakPolarHBondContact O-CG2 3.43Å; K269-V273 PolarHBondContact O-N 3.45Å; F270-V273 HydrophobicContact CD1-CB 4.43Å; F270-V273 HydrophobicContact CD1-CG2 4.19Å; F270-V273 WeakPolarHBondContact O-CB 3.15Å; F270-V273 PolarHBondContact O-N 3.25Å; V271-V273 VanDerWaalsContact C-N 3.32Å; V271-V273 PolarHBondContact O-N 2.96Å; V273-Q275 VanDerWaalsContact C-N 3.26Å; V273-Q275 PolarHBondContact O-N 3.21Å; V273-N276 PolarHBondContact O-N 3.48Å; V273-L277 HydrophobicContact CG1-CD1 3.91Å; V273-L277 HydrophobicContact CG1-CG 4.3Å; V273-L277 WeakPolarHBondContact O-CG 3.4Å; V273-L277 PolarHBondContact O-N 3.36Å
274A98.3Very high96.5Very high0 Ų032 Ų320%015%0.15CC..Hα-helixtrans-58.5-39.3175.300000112F270 V271 N276 L277 K278 L286 V289 V290 Y319F270-A274 PolarHBondContact O-N 2.64Å; V271-A274 WeakPolarHBondContact O-CB 3.47Å; V271-A274 PolarHBondContact O-N 3.35Å; A274-N276 PolarHBondContact O-N 2.92Å; A274-L277 PolarHBondContact O-N 3.16Å; A274-K278 PolarHBondContact O-N 3.42Å; A274-L286 HydrophobicContact CB-CD1 3.55Å; A274-L286 VanDerWaalsContact O-CD1 3.3Å; A274-L286 WeakPolarHBondContact O-CD1 3.46Å; A274-V289 HydrophobicContact CB-CG1 4.11Å; A274-V290 HydrophobicContact CB-CG2 4.27Å; A274-Y319 HydrophobicContact CB-CD2 4.04Å; A274-Y319 HydrophobicContact CB-CE2 4.04Å
275Q97.9Very high96.4Very high48 Ų4831.9 Ų31.922%0.22415%0.148CC..Hα-helixtrans-59.9-46175.5-158.4158.639.700112V271 R272 V273 K278 Q279 E315 Y319V271-Q275 PolarHBondContact O-N 2.78Å; R272-Q275 WeakPolarHBondContact O-CB 3.28Å; R272-Q275 PolarHBondContact O-N 3.34Å; V273-Q275 VanDerWaalsContact C-N 3.26Å; V273-Q275 PolarHBondContact O-N 3.21Å; Q275-K278 PolarHBondContact O-N 3.27Å; Q275-Q279 WeakPolarHBondContact O-CG 3.39Å; Q275-Q279 PolarHBondContact O-N 3.4Å; Q275-E315 PolarHBondContact NE2-OE1 2.9Å; Q275-Y319 VanDerWaalsContact CA-OH 3.28Å; Q275-Y319 WeakPolarHBondContact CA-OH 3.37Å; Q275-Y319 VanDerWaalsContact CB-OH 3.24Å; Q275-Y319 WeakPolarHBondContact CB-OH 3.32Å; Q275-Y319 WeakPolarHBondContact CG-OH 3.35Å
276N97.2Very high96.5Very high30 Ų3025.8 Ų25.816%0.1612%0.12CC..Hα-helixtrans-65.6-42.7174.8-75.9-83.1000112.2A183 R272 V273 A274 K278 Q279 L280A183-N276 HydrophobicContact CB-CB 3.52Å; R272-N276 PolarHBondContact O-N 2.53Å; R272-N276 VanDerWaalsContact O-N 3.15Å; R272-N276 PolarHBondContact O-ND2 2.96Å; V273-N276 PolarHBondContact O-N 3.48Å; A274-N276 PolarHBondContact O-N 2.92Å; N276-K278 VanDerWaalsContact C-N 3.29Å; N276-K278 PolarHBondContact O-N 3.16Å; N276-Q279 WeakPolarHBondContact O-CB 3.48Å; N276-Q279 PolarHBondContact O-N 2.91Å; N276-Q279 VanDerWaalsContact O-N 3.09Å; N276-L280 WeakPolarHBondContact O-CG 3.5Å; N276-L280 PolarHBondContact O-N 3.09Å
277L97.2Very high96.6Very high0 Ų025.5 Ų25.50%012%0.118CC..Hα-helixtrans-60.2-38.6176.8-71.9166.5000112.4A183 T187 V273 A274 L280 Q281 N282 T285 L286 V289A183-L277 HydrophobicContact CB-CD2 3.91Å; A183-L277 HydrophobicContact CB-CG 3.85Å; T187-L277 WeakPolarHBondContact OG1-CD2 3.2Å; V273-L277 HydrophobicContact CG1-CD1 3.91Å; V273-L277 HydrophobicContact CG1-CG 4.3Å; V273-L277 WeakPolarHBondContact O-CG 3.4Å; V273-L277 PolarHBondContact O-N 3.36Å; A274-L277 PolarHBondContact O-N 3.16Å; L277-L280 CarbonylContact O-C 3.55Å; L277-L280 PolarHBondContact O-N 3.08Å; L277-Q281 PolarHBondContact O-N 3.03Å; L277-N282 HydrophobicContact CD2-CB 4.22Å; L277-N282 PolarHBondContact O-N 3.27Å; L277-T285 HydrophobicContact CD1-CG2 3.69Å; L277-T285 HydrophobicContact CD2-CG2 3.83Å; L277-T285 HydrophobicContact CG-CG2 4.43Å; L277-L286 HydrophobicContact CB-CB 4.17Å; L277-L286 HydrophobicContact CB-CD1 4.39Å; L277-V289 HydrophobicContact CD1-CB 4.42Å; L277-V289 HydrophobicContact CD1-CG2 3.65Å
278K96.5Very high96.5Very high90 Ų9025.4 Ų25.439%0.39112%0.118SC..Hα-helixtrans-64.3-40.4173.9-178.2179.9176-67.40111.8A274 Q275 N276 Q281 L286 Y319 L322A274-K278 PolarHBondContact O-N 3.42Å; Q275-K278 PolarHBondContact O-N 3.27Å; N276-K278 VanDerWaalsContact C-N 3.29Å; N276-K278 PolarHBondContact O-N 3.16Å; K278-Q281 PolarHBondContact O-N 3.01Å; K278-Q281 VanDerWaalsContact O-N 3.13Å; K278-L286 HydrophobicContact CB-CD2 4.07Å; K278-Y319 HydrophobicContact CD-CD1 4.31Å; K278-Y319 HydrophobicContact CD-CE1 3.76Å; K278-L322 HydrophobicContact CD-CD2 4.26Å
279Q94.5Very high96.5Very high142 Ų14223.9 Ų23.966%0.66411%0.108SC*.Hα-helixtrans-65.7-39.8176.6-70174.34.700111.6Q275 N276 Q281Q275-Q279 WeakPolarHBondContact O-CG 3.39Å; Q275-Q279 PolarHBondContact O-N 3.4Å; N276-Q279 WeakPolarHBondContact O-CB 3.48Å; N276-Q279 PolarHBondContact O-N 2.91Å; N276-Q279 VanDerWaalsContact O-N 3.09Å; Q279-Q281 PolarHBondContact O-N 3.28Å; Q279-Q281 VanDerWaalsContact O-N 3.16Å
280L93Very high96.5Very high35 Ų3522.3 Ų22.318%0.18310%0.101CC..THydrogen-bonded Turntrans-70.1-0.9172.5-63.9176.6000113.7A183 V184 N276 L277 N282 L395A183-L280 HydrophobicContact CB-CD1 4.07Å; V184-L280 HydrophobicContact CG2-CD1 4.1Å; N276-L280 WeakPolarHBondContact O-CG 3.5Å; N276-L280 PolarHBondContact O-N 3.09Å; L277-L280 CarbonylContact O-C 3.55Å; L277-L280 PolarHBondContact O-N 3.08Å; L280-N282 PolarHBondContact O-N 2.67Å; L280-N282 VanDerWaalsContact O-N 3.16Å; L280-L395 HydrophobicContact CD1-CD2 4.48Å; L280-L395 HydrophobicContact CD2-CD2 3.81Å
281Q94.3Very high96.3Very high44 Ų4423 Ų2321%0.20611%0.108CC..THydrogen-bonded Turntrans53.131-173.9-56.4179.212.900113.3L277 K278 Q279 Y283 K340 Y342 R343 V344L277-Q281 PolarHBondContact O-N 3.03Å; K278-Q281 PolarHBondContact O-N 3.01Å; K278-Q281 VanDerWaalsContact O-N 3.13Å; Q279-Q281 PolarHBondContact O-N 3.28Å; Q279-Q281 VanDerWaalsContact O-N 3.16Å; Q281-Y283 HydrophobicContact CB-CE2 4.01Å; Q281-Y283 WeakPolarHBondContact O-CD2 3.37Å; Q281-Y283 PolarHBondContact O-N 3.33Å; Q281-K340 PolarHBondContact NE2-O 2.89Å; Q281-K340 VanDerWaalsContact NE2-O 3.09Å; Q281-K340 PolarHBondContact OE1-O 3.27Å; Q281-K340 VanDerWaalsContact OE1-O 3.09Å; Q281-Y342 PolarHBondContact OE1-O 2.91Å; Q281-R343 HydrophobicContact CB-CB 4.04Å; Q281-R343 WeakPolarHBondContact O-CA 3.28Å; Q281-V344 PolarHBondContact O-N 2.79Å
282N94.5Very high96.1Very high0 Ų023 Ų230%011%0.108CC..BIsolated β-bridgetrans-9386.6173.3-175.3-11.6000110.3T187 E190 L277 L280 N284 T285 L286 V344T187-N282 HydrophobicContact CG2-CB 4.25Å; T187-N282 WeakPolarHBondContact CG2-ND2 3.32Å; T187-N282 PolarHBondContact OG1-ND2 3.45Å; E190-N282 VanDerWaalsContact OE2-CG 3.29Å; E190-N282 PolarHBondContact OE2-ND2 3.37Å; E190-N282 PolarHBondContact OE2-OD1 3.04Å; L277-N282 HydrophobicContact CD2-CB 4.22Å; L277-N282 PolarHBondContact O-N 3.27Å; L280-N282 PolarHBondContact O-N 2.67Å; L280-N282 VanDerWaalsContact O-N 3.16Å; N282-N284 PolarHBondContact OD1-N 2.86Å; N282-T285 WeakPolarHBondContact ND2-CB 3.36Å; N282-T285 PolarHBondContact ND2-OG1 3.04Å; N282-T285 PolarHBondContact OD1-N 2.91Å; N282-L286 WeakPolarHBondContact O-CB 3.47Å; N282-L286 PolarHBondContact O-N 2.75Å; N282-L286 VanDerWaalsContact O-N 3.17Å; N282-V344 HydrophobicContact CB-CB 4.32Å; N282-V344 HydrophobicContact CB-CG2 4.25Å; N282-V344 WeakPolarHBondContact OD1-CB 3.42Å
283Y96Very high96Very high7 Ų719.8 Ų19.83%0.02710%0.096CC..Hα-helixtrans-75.9-27.6-177.5-56.8-73.1000112.9Q281 L286 M287 Y332 V335 L336 S339 V344 I346Q281-Y283 HydrophobicContact CB-CE2 4.01Å; Q281-Y283 WeakPolarHBondContact O-CD2 3.37Å; Q281-Y283 PolarHBondContact O-N 3.33Å; Y283-L286 HydrophobicContact CD1-CD2 4.22Å; Y283-M287 WeakPolarHBondContact O-CB 3.42Å; Y283-M287 PolarHBondContact O-N 2.81Å; Y283-Y332 HydrophobicContact CD1-CD2 4.43Å; Y283-Y332 HydrophobicContact CD1-CE2 4.38Å; Y283-Y332 HydrophobicContact CD2-CE2 4.18Å; Y283-Y332 HydrophobicContact CG-CD2 4.29Å; Y283-Y332 AromaticContact CG-CE2 3.81Å; Y283-Y332 HydrophobicContact CG-CE2 3.81Å; Y283-V335 HydrophobicContact CE1-CG1 3.74Å; Y283-V335 WeakPolarHBondContact OH-CG1 3.46Å; Y283-L336 HydrophobicContact CD2-CD1 3.94Å; Y283-L336 HydrophobicContact CE2-CD1 4.06Å; Y283-S339 PolarHBondContact OH-OG 2.83Å; Y283-V344 WeakPolarHBondContact CB-O 3.49Å; Y283-V344 PolarHBondContact N-O 2.7Å; Y283-I346 WeakPolarHBondContact O-CG1 3.39Å
284N94.9Very high95.8Very high0 Ų020 Ų200%010%0.098CC..Hα-helixtrans-69.4-51.5-179.9-15858.2000111.7E190 F243 N282 L286 M287 A288 V344 P345 I346 I347E190-N284 WeakPolarHBondContact OE1-CB 3.41Å; E190-N284 PolarHBondContact OE1-ND2 3.04Å; F243-N284 VanDerWaalsContact CE2-O 3.32Å; F243-N284 WeakPolarHBondContact CE2-O 3.3Å; N282-N284 PolarHBondContact OD1-N 2.86Å; N284-L286 VanDerWaalsContact C-N 3.3Å; N284-L286 PolarHBondContact O-N 3.43Å; N284-M287 WeakPolarHBondContact O-CB 3.33Å; N284-M287 PolarHBondContact O-N 3.29Å; N284-A288 PolarHBondContact O-N 3.03Å; N284-A288 VanDerWaalsContact O-N 3.1Å; N284-V344 HydrophobicContact CB-CG1 3.92Å; N284-V344 PolarHBondContact N-O 3.11Å; N284-P345 WeakPolarHBondContact CB-O 3.43Å; N284-I346 WeakPolarHBondContact OD1-CA 3.43Å; N284-I347 PolarHBondContact OD1-N 3.13Å
285T96.5Very high95.5Very high0 Ų022.2 Ų22.20%011%0.108CC..Hα-helixtrans-68.2-33.1175.2-62.80000111.3L186 E190 I246 L277 N282 M287 A288 V289L186-T285 HydrophobicContact CB-CG2 4.03Å; L186-T285 HydrophobicContact CD1-CG2 4.26Å; E190-T285 PolarHBondContact OE1-OG1 3.44Å; E190-T285 PolarHBondContact OE2-OG1 2.87Å; I246-T285 HydrophobicContact CD1-CG2 4.29Å; L277-T285 HydrophobicContact CD1-CG2 3.69Å; L277-T285 HydrophobicContact CD2-CG2 3.83Å; L277-T285 HydrophobicContact CG-CG2 4.43Å; N282-T285 WeakPolarHBondContact ND2-CB 3.36Å; N282-T285 PolarHBondContact ND2-OG1 3.04Å; N282-T285 PolarHBondContact OD1-N 2.91Å; T285-M287 VanDerWaalsContact C-N 3.28Å; T285-M287 PolarHBondContact O-N 3.17Å; T285-A288 WeakPolarHBondContact O-CB 3.41Å; T285-A288 PolarHBondContact O-N 3.28Å; T285-A288 VanDerWaalsContact O-N 3.11Å; T285-V289 HydrophobicContact CG2-CG2 4.4Å; T285-V289 WeakPolarHBondContact O-CG2 3.26Å; T285-V289 PolarHBondContact O-N 3.17Å
286L97.9Very high95Very high0 Ų023.1 Ų23.10%012%0.12CC..Hα-helixtrans-56.2-45.1171.9177.562.7000111.3A274 L277 K278 N282 Y283 N284 A288 V289 V290 L322 L323A274-L286 HydrophobicContact CB-CD1 3.55Å; A274-L286 VanDerWaalsContact O-CD1 3.3Å; A274-L286 WeakPolarHBondContact O-CD1 3.46Å; L277-L286 HydrophobicContact CB-CB 4.17Å; L277-L286 HydrophobicContact CB-CD1 4.39Å; K278-L286 HydrophobicContact CB-CD2 4.07Å; N282-L286 WeakPolarHBondContact O-CB 3.47Å; N282-L286 PolarHBondContact O-N 2.75Å; N282-L286 VanDerWaalsContact O-N 3.17Å; Y283-L286 HydrophobicContact CD1-CD2 4.22Å; N284-L286 VanDerWaalsContact C-N 3.3Å; N284-L286 PolarHBondContact O-N 3.43Å; L286-A288 VanDerWaalsContact C-N 3.34Å; L286-A288 PolarHBondContact O-N 3.34Å; L286-V289 PolarHBondContact O-N 2.67Å; L286-V290 HydrophobicContact CD1-CG2 3.94Å; L286-V290 HydrophobicContact CG-CG2 4.42Å; L286-V290 WeakPolarHBondContact O-CB 3.45Å; L286-V290 VanDerWaalsContact O-CG2 3.3Å; L286-V290 WeakPolarHBondContact O-CG2 3.22Å; L286-V290 PolarHBondContact O-N 3.15Å; L286-L322 HydrophobicContact CD2-CD2 4.23Å; L286-L323 HydrophobicContact CG-CD1 4.14Å
287M96.5Very high94.7Very high1 Ų121.7 Ų21.71%0.00511%0.112CC..Hα-helixtrans-60.2-41.7174.4-178.574.3178.300112F243 Y283 N284 T285 V289 G291 L323 F329 I346 V441 L442 A443F243-M287 HydrophobicContact CE2-CB 4.02Å; F243-M287 HydrophobicContact CE2-CG 3.97Å; F243-M287 HydrophobicContact CZ-CB 4.37Å; F243-M287 HydrophobicContact CZ-CG 3.88Å; Y283-M287 WeakPolarHBondContact O-CB 3.42Å; Y283-M287 PolarHBondContact O-N 2.81Å; N284-M287 WeakPolarHBondContact O-CB 3.33Å; N284-M287 PolarHBondContact O-N 3.29Å; T285-M287 VanDerWaalsContact C-N 3.28Å; T285-M287 PolarHBondContact O-N 3.17Å; M287-V289 PolarHBondContact O-N 3.27Å; M287-G291 WeakPolarHBondContact O-CA 3.41Å; M287-G291 PolarHBondContact O-N 3.4Å; M287-L323 HydrophobicContact CB-CD1 4.4Å; M287-L323 HydrophobicContact SD-CB 3.94Å; M287-L323 HydrophobicContact SD-CD1 4.08Å; M287-L323 HydrophobicContact SD-CD2 4.29Å; M287-L323 HydrophobicContact SD-CG 4.35Å; M287-F329 HydrophobicContact CE-CE1 4.4Å; M287-I346 HydrophobicContact CB-CD1 4.19Å; M287-I346 HydrophobicContact CB-CG1 4.26Å; M287-I346 HydrophobicContact CB-CG2 4.36Å; M287-I346 HydrophobicContact CG-CD1 4.48Å; M287-I346 HydrophobicContact CG-CG2 4.18Å; M287-I346 HydrophobicContact SD-CD1 4.42Å; M287-V441 HydrophobicContact CE-CG1 3.29Å; M287-V441 HydrophobicContact SD-CG1 3.2Å; M287-V441 WeakPolarHBondContact SD-CG1 3.39Å; M287-L442 WeakPolarHBondContact CE-O 3.15Å; M287-A443 HydrophobicContact CE-CB 4.19Å
288A95.5Very high94.5Very high0 Ų021.8 Ų21.80%011%0.112CC..Hα-helixtrans-61.3-44.5176.700000112.2F243 I246 S247 N284 T285 L286 A292F243-A288 HydrophobicContact CD2-CB 3.66Å; F243-A288 HydrophobicContact CE2-CB 3.6Å; F243-A288 HydrophobicContact CG-CB 4.16Å; F243-A288 HydrophobicContact CZ-CB 4.03Å; I246-A288 HydrophobicContact CB-CB 4.23Å; I246-A288 HydrophobicContact CG2-CB 3.95Å; S247-A288 WeakPolarHBondContact OG-CA 3.13Å; S247-A288 PolarHBondContact OG-O 3.44Å; N284-A288 PolarHBondContact O-N 3.03Å; N284-A288 VanDerWaalsContact O-N 3.1Å; T285-A288 WeakPolarHBondContact O-CB 3.41Å; T285-A288 PolarHBondContact O-N 3.28Å; T285-A288 VanDerWaalsContact O-N 3.11Å; L286-A288 VanDerWaalsContact C-N 3.34Å; L286-A288 PolarHBondContact O-N 3.34Å; A288-A292 WeakPolarHBondContact O-CB 3.38Å; A288-A292 PolarHBondContact O-N 3Å; A288-A292 VanDerWaalsContact O-N 3.08Å
289V97.5Very high94.2Very high0 Ų019 Ų190%011%0.107CC..Hα-helixtrans-67.5-50.5179.81750000110.9I250 F270 A274 L277 T285 L286 M287 G291 A292 L293I250-V289 HydrophobicContact CD1-CB 4.1Å; I250-V289 HydrophobicContact CD1-CG1 4.2Å; I250-V289 HydrophobicContact CD1-CG2 3.68Å; F270-V289 HydrophobicContact CB-CG1 4.32Å; F270-V289 WeakPolarHBondContact O-CG1 3.15Å; A274-V289 HydrophobicContact CB-CG1 4.11Å; L277-V289 HydrophobicContact CD1-CB 4.42Å; L277-V289 HydrophobicContact CD1-CG2 3.65Å; T285-V289 HydrophobicContact CG2-CG2 4.4Å; T285-V289 WeakPolarHBondContact O-CG2 3.26Å; T285-V289 PolarHBondContact O-N 3.17Å; L286-V289 PolarHBondContact O-N 2.67Å; M287-V289 PolarHBondContact O-N 3.27Å; V289-G291 PolarHBondContact O-N 3.38Å; V289-A292 VanDerWaalsContact O-CB 3.3Å; V289-A292 WeakPolarHBondContact O-CB 3.46Å; V289-A292 PolarHBondContact O-N 3.49Å; V289-A292 VanDerWaalsContact O-N 3.12Å; V289-L293 HydrophobicContact CG1-CD1 4.16Å; V289-L293 WeakPolarHBondContact O-CG 3.2Å; V289-L293 PolarHBondContact O-N 3.5Å
290V96.9Very high94.1Very high0 Ų013.9 Ų13.90%08%0.081CC..Hα-helixtrans-67.7-38.8-177.7177.60000111A274 L286 A292 L293 T294 L316 Y319 L323 V441A274-V290 HydrophobicContact CB-CG2 4.27Å; L286-V290 HydrophobicContact CD1-CG2 3.94Å; L286-V290 HydrophobicContact CG-CG2 4.42Å; L286-V290 WeakPolarHBondContact O-CB 3.45Å; L286-V290 VanDerWaalsContact O-CG2 3.3Å; L286-V290 WeakPolarHBondContact O-CG2 3.22Å; L286-V290 PolarHBondContact O-N 3.15Å; V290-A292 VanDerWaalsContact C-N 3.26Å; V290-A292 PolarHBondContact O-N 3.05Å; V290-L293 PolarHBondContact O-N 2.78Å; V290-T294 HydrophobicContact CG1-CG2 4.38Å; V290-T294 WeakPolarHBondContact O-CG2 3.25Å; V290-T294 PolarHBondContact O-N 3.26Å; V290-T294 PolarHBondContact O-OG1 2.82Å; V290-L316 HydrophobicContact CG1-CD1 4.25Å; V290-Y319 HydrophobicContact CG2-CG 4.42Å; V290-L323 HydrophobicContact CB-CD1 3.69Å; V290-L323 HydrophobicContact CG1-CD1 3.98Å; V290-L323 HydrophobicContact CG2-CD1 3.83Å; V290-V441 HydrophobicContact CG1-CB 4.32Å; V290-V441 HydrophobicContact CG1-CG2 3.88Å
291G92.8Very high94.1Very high14 Ų1412.2 Ų12.214%0.1447%0.073CC..Hα-helixtrans-59.6-36.1171.800000112.4M287 V289 H295M287-G291 WeakPolarHBondContact O-CA 3.41Å; M287-G291 PolarHBondContact O-N 3.4Å; V289-G291 PolarHBondContact O-N 3.38Å; G291-H295 WeakPolarHBondContact O-CB 3.38Å; G291-H295 PolarHBondContact O-N 3.26Å
292A94.7Very high94Very high0 Ų011 Ų110%07%0.069CC..Hα-helixtrans-67.4-43.9174.900000113.1S247 I250 Q251 A288 V289 V290 T294 H295S247-A292 WeakPolarHBondContact O-CB 3.33Å; I250-A292 HydrophobicContact CB-CB 3.83Å; I250-A292 HydrophobicContact CD1-CB 4.27Å; I250-A292 HydrophobicContact CG2-CB 3.72Å; Q251-A292 HydrophobicContact CG-CB 4.18Å; A288-A292 WeakPolarHBondContact O-CB 3.38Å; A288-A292 PolarHBondContact O-N 3Å; A288-A292 VanDerWaalsContact O-N 3.08Å; V289-A292 VanDerWaalsContact O-CB 3.3Å; V289-A292 WeakPolarHBondContact O-CB 3.46Å; V289-A292 PolarHBondContact O-N 3.49Å; V289-A292 VanDerWaalsContact O-N 3.12Å; V290-A292 VanDerWaalsContact C-N 3.26Å; V290-A292 PolarHBondContact O-N 3.05Å; A292-T294 VanDerWaalsContact C-N 3.32Å; A292-H295 VanDerWaalsContact O-CB 3.29Å; A292-H295 WeakPolarHBondContact O-CB 3.33Å; A292-H295 PolarHBondContact O-N 2.87Å
293L96.3Very high93.9Very high4 Ų417.4 Ų17.42%0.0219%0.093CC..Hα-helixtrans-71.3-27.9-178.6-64.2177.3000112.7I250 I254 I267 F270 V271 V289 V290 L316I250-L293 HydrophobicContact CG2-CD2 4.18Å; I254-L293 HydrophobicContact CD1-CD2 3.74Å; I267-L293 HydrophobicContact CG1-CD2 4.43Å; I267-L293 HydrophobicContact CG2-CD2 4.41Å; F270-L293 HydrophobicContact CB-CD1 4.12Å; F270-L293 HydrophobicContact CB-CD2 4Å; F270-L293 HydrophobicContact CB-CG 4.47Å; V271-L293 HydrophobicContact CG2-CD1 3.79Å; V289-L293 HydrophobicContact CG1-CD1 4.16Å; V289-L293 WeakPolarHBondContact O-CG 3.2Å; V289-L293 PolarHBondContact O-N 3.5Å; V290-L293 PolarHBondContact O-N 2.78Å; L293-L316 HydrophobicContact CB-CD1 3.94Å; L293-L316 HydrophobicContact CB-CD2 4.21Å; L293-L316 HydrophobicContact CD1-CD1 3.91Å
294T93.5Very high93.9Very high4 Ų417.1 Ų17.13%0.0259%0.092CC..THydrogen-bonded Turntrans-950.917659.40000113.3V290 A292 L316 V441V290-T294 HydrophobicContact CG1-CG2 4.38Å; V290-T294 WeakPolarHBondContact O-CG2 3.25Å; V290-T294 PolarHBondContact O-N 3.26Å; V290-T294 PolarHBondContact O-OG1 2.82Å; A292-T294 VanDerWaalsContact C-N 3.32Å; T294-L316 HydrophobicContact CG2-CD1 4.47Å; T294-V441 PolarHBondContact OG1-N 3.32Å
295H90.5Very high93.8Very high48 Ų4817.7 Ų17.722%0.22210%0.095CC..SBendtrans-61145.8179.6-174-114.4000111.6Q251 G291 A292 A297 I298 A299Q251-H295 HydrophobicContact CG-CB 4.38Å; Q251-H295 PolarHBondContact OE1-ND1 3.22Å; G291-H295 WeakPolarHBondContact O-CB 3.38Å; G291-H295 PolarHBondContact O-N 3.26Å; A292-H295 VanDerWaalsContact O-CB 3.29Å; A292-H295 WeakPolarHBondContact O-CB 3.33Å; A292-H295 PolarHBondContact O-N 2.87Å; H295-A297 WeakPolarHBondContact ND1-CB 3.5Å; H295-A297 PolarHBondContact ND1-N 3.18Å; H295-A297 PolarHBondContact O-N 3.43Å; H295-I298 PolarHBondContact O-N 2.73Å; H295-A299 PolarHBondContact O-N 2.87Å
296S88.3Confident93.7Very high67 Ų6723 Ų2347%0.46913%0.127SC..Hα-helixtrans-53.1-33.3-176.766.80000114I298 R300S296-I298 VanDerWaalsContact C-N 3.34Å; S296-R300 VanDerWaalsContact O-CG 3.28Å; S296-R300 WeakPolarHBondContact O-CG 3.39Å
297A90.3Very high93.6Very high0 Ų026 Ų260%015%0.147CC..Hα-helixtrans-71-25.817700000113.3H295 I419 Y420 S423H295-A297 WeakPolarHBondContact ND1-CB 3.5Å; H295-A297 PolarHBondContact ND1-N 3.18Å; H295-A297 PolarHBondContact O-N 3.43Å; A297-I419 HydrophobicContact CB-CG2 3.74Å; A297-Y420 HydrophobicContact CB-CD2 4.23Å; A297-S423 WeakPolarHBondContact O-CB 3.22Å; A297-S423 PolarHBondContact O-OG 3.1Å
298I94Very high93.6Very high1 Ų126.3 Ų26.31%0.00515%0.149CC..Hα-helixtrans-97.6-45.5179.6-54.9-55.2000110.8Q251 I254 L255 I267 H295 S296 R300 L301Q251-I298 HydrophobicContact CB-CD1 4.34Å; Q251-I298 HydrophobicContact CB-CG1 4.43Å; Q251-I298 HydrophobicContact CG-CG1 4.06Å; I254-I298 HydrophobicContact CB-CD1 4.16Å; I254-I298 HydrophobicContact CD1-CD1 4.25Å; I254-I298 HydrophobicContact CD1-CG1 4.38Å; I254-I298 HydrophobicContact CD1-CG2 4.23Å; I254-I298 HydrophobicContact CG2-CD1 4.07Å; L255-I298 HydrophobicContact CD1-CD1 4.28Å; L255-I298 HydrophobicContact CD2-CD1 4.17Å; L255-I298 HydrophobicContact CG-CD1 3.91Å; I267-I298 HydrophobicContact CD1-CG2 4.17Å; H295-I298 PolarHBondContact O-N 2.73Å; S296-I298 VanDerWaalsContact C-N 3.34Å; I298-R300 PolarHBondContact O-N 3.22Å; I298-L301 HydrophobicContact CD1-CD1 4.31Å; I298-L301 VanDerWaalsContact O-CB 3.29Å; I298-L301 WeakPolarHBondContact O-CB 3.43Å; I298-L301 WeakPolarHBondContact O-CG 3.45Å; I298-L301 PolarHBondContact O-N 3.33Å
299A90.4Very high93.7Very high33 Ų3329.5 Ų29.527%0.27317%0.17SC..Hα-helixtrans-57.3-28.2-17800000113.4H295 L301H295-A299 PolarHBondContact O-N 2.87Å; A299-L301 VanDerWaalsContact C-N 3.3Å; A299-L301 PolarHBondContact O-N 2.83Å
300R91.5Very high93.6Very high34 Ų3434.2 Ų34.213%0.12820%0.195CC..THydrogen-bonded Turntrans-75-11.8177.369.2171-65.8-73.1-12.5115.3S296 I298 S302 S423 E427S296-R300 VanDerWaalsContact O-CG 3.28Å; S296-R300 WeakPolarHBondContact O-CG 3.39Å; I298-R300 PolarHBondContact O-N 3.22Å; R300-S302 PolarHBondContact O-N 2.78Å; R300-S423 VanDerWaalsContact CD-OG 3.29Å; R300-S423 WeakPolarHBondContact CD-OG 3.25Å; R300-S423 WeakPolarHBondContact CG-OG 3.43Å; R300-S423 VanDerWaalsContact NH1-C 3.26Å; R300-S423 PolarHBondContact NH1-O 2.56Å; R300-S423 PolarHBondContact NH1-OG 2.76Å; R300-E427 VanDerWaalsContact CZ-O 3.22Å; R300-E427 PolarHBondContact NH1-O 3.41Å; R300-E427 PolarHBondContact NH2-O 2.72Å
301L93Very high93.7Very high0 Ų040 Ų400%022%0.222CC..  trans-78.368.6-175.4-60.1177.2000110.7L255 I298 A299 R303 T304 M305 S423 E427L255-L301 HydrophobicContact CD2-CD1 3.87Å; I298-L301 HydrophobicContact CD1-CD1 4.31Å; I298-L301 VanDerWaalsContact O-CB 3.29Å; I298-L301 WeakPolarHBondContact O-CB 3.43Å; I298-L301 WeakPolarHBondContact O-CG 3.45Å; I298-L301 PolarHBondContact O-N 3.33Å; A299-L301 VanDerWaalsContact C-N 3.3Å; A299-L301 PolarHBondContact O-N 2.83Å; L301-R303 VanDerWaalsContact C-N 3.26Å; L301-R303 PolarHBondContact O-N 2.66Å; L301-T304 PolarHBondContact O-N 3.47Å; L301-T304 VanDerWaalsContact O-N 3.16Å; L301-M305 WeakPolarHBondContact O-CG 3.41Å; L301-M305 PolarHBondContact O-N 3.45Å; L301-S423 WeakPolarHBondContact CD2-OG 3.45Å; L301-E427 VanDerWaalsContact CA-OE2 3.28Å; L301-E427 WeakPolarHBondContact CA-OE2 3.4Å; L301-E427 HydrophobicContact CD2-CB 3.84Å; L301-E427 HydrophobicContact CD2-CG 3.84Å
302S91.8Very high93.9Very high19 Ų1939.5 Ų39.513%0.13322%0.216CC..Hα-helixtrans-58.8-35.7-172.276.60000112.8R300 M305 V306 E427 Q433R300-S302 PolarHBondContact O-N 2.78Å; S302-M305 PolarHBondContact O-N 2.65Å; S302-V306 WeakPolarHBondContact O-CG2 2.92Å; S302-V306 PolarHBondContact O-N 2.94Å; S302-V306 VanDerWaalsContact O-N 3.17Å; S302-E427 PolarHBondContact N-OE2 2.9Å; S302-E427 VanDerWaalsContact N-OE2 3.11Å; S302-Q433 WeakPolarHBondContact OG-CG 3.23Å; S302-Q433 PolarHBondContact OG-NE2 3.29Å
303R93.2Very high93.9Very high134 Ų13442.4 Ų42.451%0.50623%0.227SC..Hα-helixtrans-69.9-41.8180-59.6179.2-177.3170.41.5110.6A260 L301 V306 C307 E427A260-R303 HydrophobicContact CB-CB 4.32Å; L301-R303 VanDerWaalsContact C-N 3.26Å; L301-R303 PolarHBondContact O-N 2.66Å; R303-V306 PolarHBondContact O-N 3.15Å; R303-C307 PolarHBondContact O-N 3.48Å; R303-C307 PolarHBondContact O-SG 2.91Å; R303-E427 WeakPolarHBondContact CB-OE2 3.24Å; R303-E427 PolarHBondContact N-OE2 3.2Å
304T96Very high93.9Very high0 Ų047.1 Ų47.10%025%0.252CS..Hα-helixtrans-61.2-44.8171.5-73.30000112.1A260 R263 A264 I267 L301 V306 C307 V308 E427A260-T304 WeakPolarHBondContact CA-OG1 3.18Å; A260-T304 PolarHBondContact O-OG1 2.93Å; R263-T304 HydrophobicContact CB-CG2 3.62Å; R263-T304 VanDerWaalsContact CZ-OG1 3.29Å; R263-T304 PolarHBondContact NE-OG1 3.38Å; R263-T304 PolarHBondContact NH2-OG1 3.35Å; R263-T304 VanDerWaalsContact NH2-OG1 3.08Å; A264-T304 HydrophobicContact CB-CG2 4.19Å; I267-T304 HydrophobicContact CD1-CG2 3.5Å; I267-T304 VanDerWaalsContact CD1-CG2 3.5Å; L301-T304 PolarHBondContact O-N 3.47Å; L301-T304 VanDerWaalsContact O-N 3.16Å; T304-V306 PolarHBondContact O-N 3.38Å; T304-C307 WeakPolarHBondContact O-CA 3.31Å; T304-C307 WeakPolarHBondContact O-CB 3.27Å; T304-C307 PolarHBondContact O-N 2.87Å; T304-V308 PolarHBondContact O-N 3.2Å; T304-E427 PolarHBondContact N-OE1 3.27Å; T304-E427 PolarHBondContact OG1-OE1 3.42Å; T304-E427 VanDerWaalsContact OG1-OE1 3.06Å
305M93.9Very high94.1Very high12 Ų1248.6 Ų48.66%0.05926%0.259CS..Hα-helixtrans-66-23.5-177.9-68.3-59.2-74.300114I267 L301 S302 V308 I436I267-M305 HydrophobicContact CD1-SD 4.27Å; L301-M305 WeakPolarHBondContact O-CG 3.41Å; L301-M305 PolarHBondContact O-N 3.45Å; S302-M305 PolarHBondContact O-N 2.65Å; M305-V308 HydrophobicContact SD-CG2 4.34Å; M305-I436 HydrophobicContact CB-CD1 4.19Å
306V93.5Very high94.4Very high112 Ų11246.6 Ų46.668%0.67925%0.249SC*.Hα-helixtrans-72-31.6170.5171.20000111.4S302 R303 T304 V308S302-V306 WeakPolarHBondContact O-CG2 2.92Å; S302-V306 PolarHBondContact O-N 2.94Å; S302-V306 VanDerWaalsContact O-N 3.17Å; R303-V306 PolarHBondContact O-N 3.15Å; T304-V306 PolarHBondContact O-N 3.38Å; V306-V308 VanDerWaalsContact C-N 3.33Å
307C96.4Very high94.7Very high63 Ų6346.1 Ų46.143%0.42624%0.242SC..Hα-helixtrans-79.1-13.4176.7-61.40000113.5A264 R303 T304A264-C307 HydrophobicContact CB-CB 3.58Å; R303-C307 PolarHBondContact O-N 3.48Å; R303-C307 PolarHBondContact O-SG 2.91Å; T304-C307 WeakPolarHBondContact O-CA 3.31Å; T304-C307 WeakPolarHBondContact O-CB 3.27Å; T304-C307 PolarHBondContact O-N 2.87Å
308V96.7Very high95Very high7 Ų748 Ų484%0.04226%0.26CS..SBendtrans-76.2129.4176.2-177.80000109A264 I267 T304 M305 V306 V312 R313A264-V308 HydrophobicContact CB-CG2 3.68Å; I267-V308 HydrophobicContact CB-CG2 4.27Å; I267-V308 HydrophobicContact CD1-CG2 4.29Å; I267-V308 HydrophobicContact CG2-CG1 4.38Å; I267-V308 HydrophobicContact CG2-CG2 3.99Å; T304-V308 PolarHBondContact O-N 3.2Å; M305-V308 HydrophobicContact SD-CG2 4.34Å; V306-V308 VanDerWaalsContact C-N 3.33Å; V308-V312 HydrophobicContact CG1-CB 3.99Å; V308-V312 HydrophobicContact CG1-CG1 3.72Å; V308-R313 HydrophobicContact CB-CG 4.08Å; V308-R313 HydrophobicContact CG1-CG 3.85Å; V308-R313 WeakPolarHBondContact O-CD 3.42Å
309P97.2Very high95.2Very high68 Ų6848.9 Ų48.944%0.44226%0.264SS..  trans-53142.5177.2-26.334.4000112.6E311 V312 R313P309-E311 VanDerWaalsContact C-N 3.31Å; P309-E311 PolarHBondContact O-N 3.36Å; P309-V312 HydrophobicContact CB-CB 4.34Å; P309-V312 HydrophobicContact CB-CG2 3.98Å; P309-V312 HydrophobicContact CG-CG2 4.22Å; P309-V312 WeakPolarHBondContact O-CB 3.23Å; P309-V312 PolarHBondContact O-N 3.1Å; P309-R313 PolarHBondContact O-N 3.31Å; P309-R313 VanDerWaalsContact O-N 3.09Å
310N95.9Very high95.4Very high99 Ų9947.4 Ų47.453%0.52925%0.252SS..Hα-helixtrans-62.5-37.8-175.1-170.950.3000112.9V312 R313 L314N310-V312 PolarHBondContact O-N 3.34Å; N310-R313 WeakPolarHBondContact O-CB 3.3Å; N310-R313 PolarHBondContact O-N 3.37Å; N310-L314 WeakPolarHBondContact O-CG 3.45Å; N310-L314 PolarHBondContact O-N 3.07Å
311E97.2Very high95.6Very high120 Ų12050.6 Ų50.656%0.56127%0.271SS*.Hα-helixtrans-56-49174.2-174.6-167.9145.700111.6R272 P309 R313 L314 E315R272-E311 IonicContact NH2-OE1 3.52Å; R272-E311 PolarHBondContact NH2-OE1 3.33Å; P309-E311 VanDerWaalsContact C-N 3.31Å; P309-E311 PolarHBondContact O-N 3.36Å; E311-R313 VanDerWaalsContact C-N 3.3Å; E311-R313 PolarHBondContact O-N 3.35Å; E311-L314 WeakPolarHBondContact O-CB 3.34Å; E311-L314 PolarHBondContact O-N 3.35Å; E311-L314 VanDerWaalsContact O-N 3.09Å; E311-E315 WeakPolarHBondContact O-CG 3.5Å; E311-E315 PolarHBondContact O-N 3.36Å
312V97.4Very high95.8Very high4 Ų451.4 Ų51.42%0.02428%0.275CS..Hα-helixtrans-63-36.8179.7175.40000111.4T268 V271 V308 P309 N310 E315 L316T268-V312 HydrophobicContact CG2-CG1 4.14Å; T268-V312 HydrophobicContact CG2-CG2 3.78Å; V271-V312 HydrophobicContact CB-CG1 3.8Å; V271-V312 HydrophobicContact CG1-CG1 3.91Å; V271-V312 HydrophobicContact CG2-CG1 3.82Å; V308-V312 HydrophobicContact CG1-CB 3.99Å; V308-V312 HydrophobicContact CG1-CG1 3.72Å; P309-V312 HydrophobicContact CB-CB 4.34Å; P309-V312 HydrophobicContact CB-CG2 3.98Å; P309-V312 HydrophobicContact CG-CG2 4.22Å; P309-V312 WeakPolarHBondContact O-CB 3.23Å; P309-V312 PolarHBondContact O-N 3.1Å; N310-V312 PolarHBondContact O-N 3.34Å; V312-E315 PolarHBondContact O-N 3.47Å; V312-L316 PolarHBondContact O-N 3.47Å
313R95.4Very high96Very high62 Ų6250.5 Ų50.523%0.23427%0.269CS..Hα-helixtrans-65.1-41173.8-73.7162.132.5117.95.9112.2V308 P309 N310 E311 L316 L317 I436V308-R313 HydrophobicContact CB-CG 4.08Å; V308-R313 HydrophobicContact CG1-CG 3.85Å; V308-R313 WeakPolarHBondContact O-CD 3.42Å; P309-R313 PolarHBondContact O-N 3.31Å; P309-R313 VanDerWaalsContact O-N 3.09Å; N310-R313 WeakPolarHBondContact O-CB 3.3Å; N310-R313 PolarHBondContact O-N 3.37Å; E311-R313 VanDerWaalsContact C-N 3.3Å; E311-R313 PolarHBondContact O-N 3.35Å; R313-L316 PolarHBondContact O-N 2.87Å; R313-L317 WeakPolarHBondContact O-CG 3.4Å; R313-L317 PolarHBondContact O-N 3.07Å; R313-I436 VanDerWaalsContact NH1-CD1 3.25Å
314L96Very high95.9Very high102 Ų10246.1 Ų46.153%0.53426%0.259SS..Hα-helixtrans-66.5-38.8176.7-68.7173.2000111.4N310 E311 L317 G318N310-L314 WeakPolarHBondContact O-CG 3.45Å; N310-L314 PolarHBondContact O-N 3.07Å; E311-L314 WeakPolarHBondContact O-CB 3.34Å; E311-L314 PolarHBondContact O-N 3.35Å; E311-L314 VanDerWaalsContact O-N 3.09Å; L314-L317 HydrophobicContact CD2-CD1 4.35Å; L314-L317 WeakPolarHBondContact O-CB 3.21Å; L314-L317 PolarHBondContact O-N 3.07Å; L314-G318 PolarHBondContact O-N 3.23Å
315E96.9Very high95.5Very high36 Ų3649.6 Ų49.617%0.16828%0.283CS..Hα-helixtrans-60.5-47.6172.6-70.4179.9156.900111.6V271 R272 Q275 E311 V312 L317 G318 Y319V271-E315 HydrophobicContact CG1-CB 3.93Å; R272-E315 IonicContact CZ-OE1 2.74Å; R272-E315 IonicContact CZ-OE2 3.42Å; R272-E315 VanDerWaalsContact NH1-CD 3.32Å; R272-E315 IonicContact NH1-OE1 3.32Å; R272-E315 PolarHBondContact NH1-OE1 3.05Å; R272-E315 IonicContact NH1-OE2 3.39Å; R272-E315 PolarHBondContact NH1-OE2 2.89Å; R272-E315 VanDerWaalsContact NH1-OE2 3.09Å; Q275-E315 PolarHBondContact NE2-OE1 2.9Å; E311-E315 WeakPolarHBondContact O-CG 3.5Å; E311-E315 PolarHBondContact O-N 3.36Å; V312-E315 PolarHBondContact O-N 3.47Å; E315-L317 VanDerWaalsContact C-N 3.32Å; E315-L317 PolarHBondContact O-N 2.93Å; E315-G318 WeakPolarHBondContact O-CA 3.37Å; E315-G318 PolarHBondContact O-N 3.29Å; E315-G318 VanDerWaalsContact O-N 3.08Å; E315-Y319 HydrophobicContact CB-CE2 4.24Å; E315-Y319 VanDerWaalsContact O-CD2 3.24Å; E315-Y319 WeakPolarHBondContact O-CD2 3.4Å; E315-Y319 PolarHBondContact O-N 3.14Å
316L96.5Very high95.2Very high5 Ų550.8 Ų50.83%0.02630%0.298CS..Hα-helixtrans-59.8-41.6176.7179.359.3000112V271 V290 L293 T294 V312 R313 G318 Y319 S320V271-L316 HydrophobicContact CG2-CB 4.11Å; V271-L316 HydrophobicContact CG2-CD1 4.43Å; V290-L316 HydrophobicContact CG1-CD1 4.25Å; L293-L316 HydrophobicContact CB-CD1 3.94Å; L293-L316 HydrophobicContact CB-CD2 4.21Å; L293-L316 HydrophobicContact CD1-CD1 3.91Å; T294-L316 HydrophobicContact CG2-CD1 4.47Å; V312-L316 PolarHBondContact O-N 3.47Å; R313-L316 PolarHBondContact O-N 2.87Å; L316-G318 VanDerWaalsContact C-N 3.34Å; L316-Y319 PolarHBondContact O-N 2.92Å; L316-S320 WeakPolarHBondContact O-CB 3.5Å; L316-S320 PolarHBondContact O-N 2.91Å
317L95.7Very high95Very high58 Ų5850.5 Ų50.530%0.30430%0.301SS..Hα-helixtrans-61.2-41.9173-79.3165000111.7R313 L314 E315 Y319 S320 N321 T438R313-L317 WeakPolarHBondContact O-CG 3.4Å; R313-L317 PolarHBondContact O-N 3.07Å; L314-L317 HydrophobicContact CD2-CD1 4.35Å; L314-L317 WeakPolarHBondContact O-CB 3.21Å; L314-L317 PolarHBondContact O-N 3.07Å; E315-L317 VanDerWaalsContact C-N 3.32Å; E315-L317 PolarHBondContact O-N 2.93Å; L317-Y319 PolarHBondContact O-N 2.87Å; L317-S320 WeakPolarHBondContact O-CB 3.49Å; L317-S320 PolarHBondContact O-N 2.75Å; L317-N321 PolarHBondContact O-N 3.02Å; L317-T438 HydrophobicContact CD2-CG2 3.77Å; L317-T438 HydrophobicContact CG-CG2 4.33Å
318G97Very high94.7Very high38 Ų3851.5 Ų51.539%0.39230%0.302SS..Hα-helixtrans-58.9-44.8174.700000112.6L314 E315 L316 N321 L322L314-G318 PolarHBondContact O-N 3.23Å; E315-G318 WeakPolarHBondContact O-CA 3.37Å; E315-G318 PolarHBondContact O-N 3.29Å; E315-G318 VanDerWaalsContact O-N 3.08Å; L316-G318 VanDerWaalsContact C-N 3.34Å; G318-N321 PolarHBondContact O-N 3.45Å; G318-L322 PolarHBondContact O-N 3.17Å
319Y97.6Very high94.5Very high21 Ų2151.3 Ų51.38%0.08230%0.301CS..Hα-helixtrans-67.6-37.3175-58.9-44.7000112.8V271 A274 Q275 K278 V290 E315 L316 L317 N321 L322 L323V271-Y319 HydrophobicContact CG1-CE2 4.15Å; A274-Y319 HydrophobicContact CB-CD2 4.04Å; A274-Y319 HydrophobicContact CB-CE2 4.04Å; Q275-Y319 VanDerWaalsContact CA-OH 3.28Å; Q275-Y319 WeakPolarHBondContact CA-OH 3.37Å; Q275-Y319 VanDerWaalsContact CB-OH 3.24Å; Q275-Y319 WeakPolarHBondContact CB-OH 3.32Å; Q275-Y319 WeakPolarHBondContact CG-OH 3.35Å; K278-Y319 HydrophobicContact CD-CD1 4.31Å; K278-Y319 HydrophobicContact CD-CE1 3.76Å; V290-Y319 HydrophobicContact CG2-CG 4.42Å; E315-Y319 HydrophobicContact CB-CE2 4.24Å; E315-Y319 VanDerWaalsContact O-CD2 3.24Å; E315-Y319 WeakPolarHBondContact O-CD2 3.4Å; E315-Y319 PolarHBondContact O-N 3.14Å; L316-Y319 PolarHBondContact O-N 2.92Å; L317-Y319 PolarHBondContact O-N 2.87Å; Y319-N321 VanDerWaalsContact C-N 3.3Å; Y319-N321 PolarHBondContact O-N 3.42Å; Y319-L322 WeakPolarHBondContact O-CB 3.24Å; Y319-L322 PolarHBondContact O-N 2.93Å; Y319-L323 WeakPolarHBondContact O-CB 3.49Å; Y319-L323 WeakPolarHBondContact O-CG 3.33Å; Y319-L323 PolarHBondContact O-N 2.87Å
320S95.3Very high94.4Very high2 Ų250 Ų501%0.01429%0.293CS..Hα-helixtrans-60.9-40.6174.6-169.20000111.9L316 L317 S324 S439 V441L316-S320 WeakPolarHBondContact O-CB 3.5Å; L316-S320 PolarHBondContact O-N 2.91Å; L317-S320 WeakPolarHBondContact O-CB 3.49Å; L317-S320 PolarHBondContact O-N 2.75Å; S320-S324 PolarHBondContact O-N 3.01Å; S320-S439 PolarHBondContact OG-O 2.62Å; S320-V441 WeakPolarHBondContact OG-CG2 3.34Å
321N95.7Very high94.4Very high100 Ų10048.6 Ų48.654%0.53529%0.288SS..Hα-helixtrans-69.7-41.1176.3-74.3-12.4000112L317 G318 Y319 L323 S324L317-N321 PolarHBondContact O-N 3.02Å; G318-N321 PolarHBondContact O-N 3.45Å; Y319-N321 VanDerWaalsContact C-N 3.3Å; Y319-N321 PolarHBondContact O-N 3.42Å; N321-L323 VanDerWaalsContact C-N 3.26Å; N321-L323 PolarHBondContact O-N 3.13Å; N321-S324 WeakPolarHBondContact O-CB 3.34Å; N321-S324 PolarHBondContact O-N 3.19Å
322L96.4Very high94.4Very high17 Ų1742.9 Ų42.99%0.08926%0.261CS..Hα-helixtrans-56.3-41.9174.717161.9000112K278 L286 G318 Y319 V331 Y332 V335K278-L322 HydrophobicContact CD-CD2 4.26Å; L286-L322 HydrophobicContact CD2-CD2 4.23Å; G318-L322 PolarHBondContact O-N 3.17Å; Y319-L322 WeakPolarHBondContact O-CB 3.24Å; Y319-L322 PolarHBondContact O-N 2.93Å; L322-V331 HydrophobicContact CD1-CG1 4.06Å; L322-Y332 PolarHBondContact O-N 2.76Å; L322-V335 HydrophobicContact CD1-CB 3.99Å; L322-V335 HydrophobicContact CD1-CG1 4.28Å; L322-V335 HydrophobicContact CD1-CG2 3.56Å
323L95.2Very high94.2Very high1 Ų145.9 Ų45.91%0.00527%0.272CS..THydrogen-bonded Turntrans-97.17.7-174.9-61.7173.8000113.8L286 M287 V290 Y319 N321 I346 V441L286-L323 HydrophobicContact CG-CD1 4.14Å; M287-L323 HydrophobicContact CB-CD1 4.4Å; M287-L323 HydrophobicContact SD-CB 3.94Å; M287-L323 HydrophobicContact SD-CD1 4.08Å; M287-L323 HydrophobicContact SD-CD2 4.29Å; M287-L323 HydrophobicContact SD-CG 4.35Å; V290-L323 HydrophobicContact CB-CD1 3.69Å; V290-L323 HydrophobicContact CG1-CD1 3.98Å; V290-L323 HydrophobicContact CG2-CD1 3.83Å; Y319-L323 WeakPolarHBondContact O-CB 3.49Å; Y319-L323 WeakPolarHBondContact O-CG 3.33Å; Y319-L323 PolarHBondContact O-N 2.87Å; N321-L323 VanDerWaalsContact C-N 3.26Å; N321-L323 PolarHBondContact O-N 3.13Å; L323-I346 HydrophobicContact CD2-CD1 3.61Å; L323-V441 HydrophobicContact CB-CG1 3.98Å; L323-V441 HydrophobicContact CB-CG2 4.35Å; L323-V441 HydrophobicContact CD1-CG1 4.43Å
324S91.7Very high94.2Very high42 Ų4250 Ų5029%0.29429%0.292SS..  trans-60.4139.4-178.7179.20000111S320 N321 G326 F329S320-S324 PolarHBondContact O-N 3.01Å; N321-S324 WeakPolarHBondContact O-CB 3.34Å; N321-S324 PolarHBondContact O-N 3.19Å; S324-G326 PolarHBondContact O-N 3.29Å; S324-G326 PolarHBondContact OG-N 3.06Å; S324-G326 VanDerWaalsContact OG-N 3.16Å; S324-F329 WeakPolarHBondContact O-CA 3.4Å; S324-F329 WeakPolarHBondContact O-CD1 3.32Å
325S88.9Confident94.1Very high73 Ų7346.9 Ų46.951%0.5128%0.277SS..  trans-70.8-6.5172.256.10000113S327 N328 F329S325-S327 PolarHBondContact O-N 3.45Å; S325-N328 PolarHBondContact O-N 2.9Å; S325-N328 VanDerWaalsContact O-N 3.13Å; S325-F329 PolarHBondContact O-N 3.16Å
326G86.9Confident93.9Very high36 Ų3645.4 Ų45.437%0.37127%0.27SS..Hα-helixtrans-51.8130.2177.100000112.9S324 N328 F329 S330S324-G326 PolarHBondContact O-N 3.29Å; S324-G326 PolarHBondContact OG-N 3.06Å; S324-G326 VanDerWaalsContact OG-N 3.16Å; G326-N328 VanDerWaalsContact C-N 3.3Å; G326-N328 PolarHBondContact O-N 3.38Å; G326-F329 PolarHBondContact O-N 2.83Å; G326-S330 PolarHBondContact O-N 3.31Å
327S89.7Confident93.5Very high106 Ų10649.9 Ų49.974%0.74130%0.301SS*.Hα-helixtrans4948.8-174.7-53.50000112.7S325 F329 S330S325-S327 PolarHBondContact O-N 3.45Å; S327-F329 PolarHBondContact O-N 3.37Å; S327-S330 WeakPolarHBondContact O-CB 3.44Å; S327-S330 PolarHBondContact O-N 3.38Å
328N88.7Confident93.3Very high84 Ų8454.6 Ų54.645%0.44932%0.323SS..Hα-helixtrans51.653.1-179.5-170.522.2000113.4S325 G326 S330 R333S325-N328 PolarHBondContact O-N 2.9Å; S325-N328 VanDerWaalsContact O-N 3.13Å; G326-N328 VanDerWaalsContact C-N 3.3Å; G326-N328 PolarHBondContact O-N 3.38Å; N328-S330 VanDerWaalsContact C-N 3.28Å; N328-S330 PolarHBondContact O-N 3.13Å; N328-R333 PolarHBondContact ND2-NH2 2.99Å; N328-R333 PolarHBondContact O-NE 3.33Å; N328-R333 PolarHBondContact OD1-NH2 3.46Å
329F92.8Very high92.9Very high4 Ų453.4 Ų53.42%0.01831%0.309CS..Hα-helixtrans60.632.9178.6-57.1-91.3000114.1M287 S324 S325 G326 S327 V331 Y332 R333 V349M287-F329 HydrophobicContact CE-CE1 4.4Å; S324-F329 WeakPolarHBondContact O-CA 3.4Å; S324-F329 WeakPolarHBondContact O-CD1 3.32Å; S325-F329 PolarHBondContact O-N 3.16Å; G326-F329 PolarHBondContact O-N 2.83Å; S327-F329 PolarHBondContact O-N 3.37Å; F329-V331 VanDerWaalsContact C-N 3.27Å; F329-V331 PolarHBondContact O-N 2.83Å; F329-Y332 HydrophobicContact CB-CD1 4.02Å; F329-Y332 PolarHBondContact O-N 3.11Å; F329-Y332 VanDerWaalsContact O-N 3.17Å; F329-R333 WeakPolarHBondContact O-CG 3.41Å; F329-R333 PolarHBondContact O-N 3.03Å; F329-V349 HydrophobicContact CB-CG1 4.31Å; F329-V349 HydrophobicContact CB-CG2 4.39Å; F329-V349 HydrophobicContact CD1-CG2 3.94Å; F329-V349 HydrophobicContact CD2-CG1 4.11Å; F329-V349 HydrophobicContact CD2-CG2 3.79Å; F329-V349 HydrophobicContact CE1-CG2 4.1Å; F329-V349 HydrophobicContact CE2-CG2 3.97Å; F329-V349 HydrophobicContact CG-CG1 4.32Å; F329-V349 HydrophobicContact CG-CG2 3.78Å; F329-V349 HydrophobicContact CZ-CG2 4.11Å
330S95.1Very high92.2Very high40 Ų4060.7 Ų60.728%0.2834%0.341SS..Hα-helixtrans-55.5-38-17460.60000114.1G326 S327 N328 R333 K334G326-S330 PolarHBondContact O-N 3.31Å; S327-S330 WeakPolarHBondContact O-CB 3.44Å; S327-S330 PolarHBondContact O-N 3.38Å; N328-S330 VanDerWaalsContact C-N 3.28Å; N328-S330 PolarHBondContact O-N 3.13Å; S330-R333 PolarHBondContact O-N 3.01Å; S330-K334 WeakPolarHBondContact O-CG 3.34Å; S330-K334 PolarHBondContact O-N 2.82Å
331V96.5Very high91.4Very high69 Ų6962.7 Ų62.742%0.41836%0.362SS..Hα-helixtrans-67.3-49.6178.9-173.30000110.5L322 F329 R333 K334 V335L322-V331 HydrophobicContact CD1-CG1 4.06Å; F329-V331 VanDerWaalsContact C-N 3.27Å; F329-V331 PolarHBondContact O-N 2.83Å; V331-R333 VanDerWaalsContact C-N 3.34Å; V331-R333 PolarHBondContact O-N 2.92Å; V331-K334 PolarHBondContact O-N 2.99Å; V331-V335 WeakPolarHBondContact O-CG2 3.47Å; V331-V335 PolarHBondContact O-N 3.37Å; V331-V335 VanDerWaalsContact O-N 3.08Å
332Y96.3Very high90.8Very high0 Ų059 Ų590%034%0.341CS..Hα-helixtrans-56-47.2173.9158-110.3000111.6Y283 L322 F329 K334 V335 L336 P345 I346 V349 H350Y283-Y332 HydrophobicContact CD1-CD2 4.43Å; Y283-Y332 HydrophobicContact CD1-CE2 4.38Å; Y283-Y332 HydrophobicContact CD2-CE2 4.18Å; Y283-Y332 HydrophobicContact CG-CD2 4.29Å; Y283-Y332 AromaticContact CG-CE2 3.81Å; Y283-Y332 HydrophobicContact CG-CE2 3.81Å; L322-Y332 PolarHBondContact O-N 2.76Å; F329-Y332 HydrophobicContact CB-CD1 4.02Å; F329-Y332 PolarHBondContact O-N 3.11Å; F329-Y332 VanDerWaalsContact O-N 3.17Å; Y332-K334 PolarHBondContact O-N 2.72Å; Y332-V335 PolarHBondContact O-N 2.86Å; Y332-V335 VanDerWaalsContact O-N 3.14Å; Y332-L336 HydrophobicContact CE2-CB 4.11Å; Y332-L336 HydrophobicContact CE2-CD1 4.45Å; Y332-L336 PolarHBondContact O-N 3.08Å; Y332-L336 WeakPolarHBondContact OH-CD2 3.46Å; Y332-P345 VanDerWaalsContact OH-CA 3.28Å; Y332-P345 WeakPolarHBondContact OH-CA 3.21Å; Y332-P345 WeakPolarHBondContact OH-CB 3.49Å; Y332-I346 HydrophobicContact CD1-CD1 4.01Å; Y332-I346 HydrophobicContact CD2-CD1 3.61Å; Y332-I346 HydrophobicContact CD2-CG1 4.18Å; Y332-I346 HydrophobicContact CE1-CB 4.17Å; Y332-I346 HydrophobicContact CE1-CD1 4.05Å; Y332-I346 HydrophobicContact CE1-CG1 4.23Å; Y332-I346 HydrophobicContact CE2-CB 4.43Å; Y332-I346 HydrophobicContact CE2-CD1 3.7Å; Y332-I346 HydrophobicContact CE2-CG1 3.72Å; Y332-I346 HydrophobicContact CG-CD1 3.78Å; Y332-I346 PolarHBondContact OH-N 3.09Å; Y332-V349 HydrophobicContact CD1-CG1 4.34Å; Y332-V349 HydrophobicContact CD1-CG2 4.27Å; Y332-V349 HydrophobicContact CE1-CB 4.12Å; Y332-V349 HydrophobicContact CE1-CG1 4.06Å; Y332-V349 HydrophobicContact CE1-CG2 4.12Å; Y332-H350 PolarHBondContact OH-NE2 3.4Å
333R94.4Very high90.4Very high68 Ų6859.9 Ų59.926%0.25734%0.343SS..Hα-helixtrans-60.6-42.9-179.2-70.2179.8-170.7-85.96.6112.2N328 F329 S330 V331 V335 L336 C337 V349 D353N328-R333 PolarHBondContact ND2-NH2 2.99Å; N328-R333 PolarHBondContact O-NE 3.33Å; N328-R333 PolarHBondContact OD1-NH2 3.46Å; F329-R333 WeakPolarHBondContact O-CG 3.41Å; F329-R333 PolarHBondContact O-N 3.03Å; S330-R333 PolarHBondContact O-N 3.01Å; V331-R333 VanDerWaalsContact C-N 3.34Å; V331-R333 PolarHBondContact O-N 2.92Å; R333-V335 VanDerWaalsContact C-N 3.35Å; R333-V335 PolarHBondContact O-N 2.92Å; R333-L336 PolarHBondContact O-N 3.44Å; R333-C337 WeakPolarHBondContact O-CB 3.47Å; R333-C337 PolarHBondContact O-N 3.39Å; R333-V349 VanDerWaalsContact CZ-CG1 3.48Å; R333-D353 IonicContact CZ-OD1 3.85Å; R333-D353 IonicContact CZ-OD2 3.44Å; R333-D353 VanDerWaalsContact CZ-OD2 3.24Å; R333-D353 IonicContact NH1-OD1 3.17Å; R333-D353 IonicContact NH1-OD2 3.27Å; R333-D353 PolarHBondContact NH1-OD2 2.84Å; R333-D353 IonicContact NH2-OD1 3.49Å; R333-D353 PolarHBondContact NH2-OD1 3.35Å; R333-D353 IonicContact NH2-OD2 3.98Å; R333-D353 PolarHBondContact NH2-OD2 2.92Å
334K94.5Very high90.1Very high147 Ų14759.8 Ų59.864%0.63934%0.343SS*.Hα-helixtrans-59.3-46173.9-73.7176.6-176.3-176.50111.4S330 V331 Y332 C337 M338S330-K334 WeakPolarHBondContact O-CG 3.34Å; S330-K334 PolarHBondContact O-N 2.82Å; V331-K334 PolarHBondContact O-N 2.99Å; Y332-K334 PolarHBondContact O-N 2.72Å; K334-C337 PolarHBondContact O-N 3.26Å; K334-M338 WeakPolarHBondContact O-CG 3.47Å; K334-M338 PolarHBondContact O-N 2.73Å
335V95.3Very high90.1Very high38 Ų3857.8 Ų57.823%0.2333%0.329CS..Hα-helixtrans-64.7-42.3178.6171.40000111.8Y283 L322 V331 Y332 R333 C337 M338 S339Y283-V335 HydrophobicContact CE1-CG1 3.74Å; Y283-V335 WeakPolarHBondContact OH-CG1 3.46Å; L322-V335 HydrophobicContact CD1-CB 3.99Å; L322-V335 HydrophobicContact CD1-CG1 4.28Å; L322-V335 HydrophobicContact CD1-CG2 3.56Å; V331-V335 WeakPolarHBondContact O-CG2 3.47Å; V331-V335 PolarHBondContact O-N 3.37Å; V331-V335 VanDerWaalsContact O-N 3.08Å; Y332-V335 PolarHBondContact O-N 2.86Å; Y332-V335 VanDerWaalsContact O-N 3.14Å; R333-V335 VanDerWaalsContact C-N 3.35Å; R333-V335 PolarHBondContact O-N 2.92Å; V335-C337 VanDerWaalsContact C-N 3.33Å; V335-C337 PolarHBondContact O-N 2.89Å; V335-M338 PolarHBondContact O-N 2.95Å; V335-S339 PolarHBondContact O-N 3.22Å; V335-S339 VanDerWaalsContact O-N 3.11Å; V335-S339 PolarHBondContact O-OG 3.35Å
336L91.8Very high90.3Very high4 Ų454.3 Ų54.32%0.02130%0.304CS..Hα-helixtrans-60.7-42.8175.8-175.971.6000111.5Y283 Y332 R333 S339 R343 P345Y283-L336 HydrophobicContact CD2-CD1 3.94Å; Y283-L336 HydrophobicContact CE2-CD1 4.06Å; Y332-L336 HydrophobicContact CE2-CB 4.11Å; Y332-L336 HydrophobicContact CE2-CD1 4.45Å; Y332-L336 PolarHBondContact O-N 3.08Å; Y332-L336 WeakPolarHBondContact OH-CD2 3.46Å; R333-L336 PolarHBondContact O-N 3.44Å; L336-S339 WeakPolarHBondContact O-CB 3.1Å; L336-S339 PolarHBondContact O-N 3.34Å; L336-R343 HydrophobicContact CD1-CG 4.2Å; L336-R343 PolarHBondContact O-NH1 2.97Å; L336-P345 HydrophobicContact CD1-CB 4.23Å; L336-P345 HydrophobicContact CD2-CB 4.22Å
337C88.6Confident90.5Very high100 Ų10052.7 Ų52.768%0.67629%0.287SS*.Hα-helixtrans-63.4-40.9178.4-174.30000112.2R333 K334 V335 S339R333-C337 WeakPolarHBondContact O-CB 3.47Å; R333-C337 PolarHBondContact O-N 3.39Å; K334-C337 PolarHBondContact O-N 3.26Å; V335-C337 VanDerWaalsContact C-N 3.33Å; V335-C337 PolarHBondContact O-N 2.89Å; C337-S339 VanDerWaalsContact C-N 3.26Å; C337-S339 PolarHBondContact O-N 3.49Å
338M90.3Very high90.3Very high156 Ų15647.7 Ų47.777%0.76825%0.252SS*.Hα-helixtrans-76.4-12.8179.2-67176.17000113.7K334 V335K334-M338 WeakPolarHBondContact O-CG 3.47Å; K334-M338 PolarHBondContact O-N 2.73Å; V335-M338 PolarHBondContact O-N 2.95Å
339S88.8Confident90.4Very high13 Ų1343.7 Ų43.79%0.09123%0.231CC..  trans-69.4151.6-179.9-62.40000111.2Y283 V335 L336 C337 R343Y283-S339 PolarHBondContact OH-OG 2.83Å; V335-S339 PolarHBondContact O-N 3.22Å; V335-S339 VanDerWaalsContact O-N 3.11Å; V335-S339 PolarHBondContact O-OG 3.35Å; L336-S339 WeakPolarHBondContact O-CB 3.1Å; L336-S339 PolarHBondContact O-N 3.34Å; C337-S339 VanDerWaalsContact C-N 3.26Å; C337-S339 PolarHBondContact O-N 3.49Å; S339-R343 PolarHBondContact O-NH1 2.86Å; S339-R343 PolarHBondContact O-NH2 2.97Å
340K82.7Confident90.3Very high174 Ų17443.8 Ų43.876%0.75723%0.231SC*.  trans-131.9143.6179.9-65-173.8-179.3-176.30109.9Q281Q281-K340 PolarHBondContact NE2-O 2.89Å; Q281-K340 VanDerWaalsContact NE2-O 3.09Å; Q281-K340 PolarHBondContact OE1-O 3.27Å; Q281-K340 VanDerWaalsContact OE1-O 3.09Å
341G80.2Confident89.9Confident44 Ų4441.9 Ų41.945%0.45422%0.218SC..SBendtrans79.3-148.6-179.300000113.3R343G341-R343 PolarHBondContact O-N 3.13Å; G341-R343 PolarHBondContact O-NE 3.48Å
342Y82.1Confident89.4Confident23 Ų2341.2 Ų41.29%0.0921%0.209CC..SBendtrans-63.3126.5179.3171.2-101.5000111.1T187 N191 Q281 V344 Q391 Q393 L395T187-Y342 HydrophobicContact CG2-CE1 4.18Å; N191-Y342 PolarHBondContact OD1-OH 3.19Å; Q281-Y342 PolarHBondContact OE1-O 2.91Å; Y342-V344 HydrophobicContact CE1-CG2 4.03Å; Y342-V344 HydrophobicContact CE2-CG2 4.21Å; Y342-V344 WeakPolarHBondContact OH-CG2 3.34Å; Y342-Q391 WeakPolarHBondContact CD2-O 3.49Å; Y342-Q393 HydrophobicContact CD2-CG 4.08Å; Y342-Q393 HydrophobicContact CE2-CG 4.04Å; Y342-Q393 PolarHBondContact OH-NE2 3.16Å; Y342-L395 HydrophobicContact CD1-CD2 4.32Å; Y342-L395 HydrophobicContact CD1-CG 4.46Å; Y342-L395 HydrophobicContact CE1-CD1 4.04Å; Y342-L395 HydrophobicContact CE1-CD2 3.99Å; Y342-L395 HydrophobicContact CE1-CG 4.14Å
343R87.2Confident89Confident35 Ų3542.8 Ų42.813%0.13222%0.218CC..  trans-145.5149.9177.169.5-165.986.3-179.59.1110.2Q281 L336 S339 G341 D388Q281-R343 HydrophobicContact CB-CB 4.04Å; Q281-R343 WeakPolarHBondContact O-CA 3.28Å; L336-R343 HydrophobicContact CD1-CG 4.2Å; L336-R343 PolarHBondContact O-NH1 2.97Å; S339-R343 PolarHBondContact O-NH1 2.86Å; S339-R343 PolarHBondContact O-NH2 2.97Å; G341-R343 PolarHBondContact O-N 3.13Å; G341-R343 PolarHBondContact O-NE 3.48Å; R343-D388 HydrophobicContact CG-CB 3.65Å; R343-D388 CarbonylContact O-C 3.38Å
344V90.1Very high88.7Confident0 Ų039.6 Ų39.60%021%0.206CC..BIsolated β-bridgetrans-115.2107.4173.2-170.90000108.2L194 Q281 N282 Y283 N284 Y342L194-V344 HydrophobicContact CD1-CG1 3.86Å; Q281-V344 PolarHBondContact O-N 2.79Å; N282-V344 HydrophobicContact CB-CB 4.32Å; N282-V344 HydrophobicContact CB-CG2 4.25Å; N282-V344 WeakPolarHBondContact OD1-CB 3.42Å; Y283-V344 WeakPolarHBondContact CB-O 3.49Å; Y283-V344 PolarHBondContact N-O 2.7Å; N284-V344 HydrophobicContact CB-CG1 3.92Å; N284-V344 PolarHBondContact N-O 3.11Å; Y342-V344 HydrophobicContact CE1-CG2 4.03Å; Y342-V344 HydrophobicContact CE2-CG2 4.21Å; Y342-V344 WeakPolarHBondContact OH-CG2 3.34Å
345P92.3Very high88.2Confident0 Ų035 Ų350%019%0.188CC..  trans-71.9155.217930.2-33.2000111.6N284 Y332 L336 I347 H350 H384 V389N284-P345 WeakPolarHBondContact CB-O 3.43Å; Y332-P345 VanDerWaalsContact OH-CA 3.28Å; Y332-P345 WeakPolarHBondContact OH-CA 3.21Å; Y332-P345 WeakPolarHBondContact OH-CB 3.49Å; L336-P345 HydrophobicContact CD1-CB 4.23Å; L336-P345 HydrophobicContact CD2-CB 4.22Å; P345-I347 PolarHBondContact O-N 2.96Å; P345-H350 WeakPolarHBondContact CB-NE2 3.15Å; P345-H384 WeakPolarHBondContact CG-O 3.34Å; P345-V389 HydrophobicContact CG-CG2 4.2Å
346I92.7Very high87.8Confident0 Ų036.5 Ų36.50%020%0.2CC..  trans-69.7101172.2-55.1171.2000107.6Y283 N284 M287 L323 Y332 G348 V349 H350 W445Y283-I346 WeakPolarHBondContact O-CG1 3.39Å; N284-I346 WeakPolarHBondContact OD1-CA 3.43Å; M287-I346 HydrophobicContact CB-CD1 4.19Å; M287-I346 HydrophobicContact CB-CG1 4.26Å; M287-I346 HydrophobicContact CB-CG2 4.36Å; M287-I346 HydrophobicContact CG-CD1 4.48Å; M287-I346 HydrophobicContact CG-CG2 4.18Å; M287-I346 HydrophobicContact SD-CD1 4.42Å; L323-I346 HydrophobicContact CD2-CD1 3.61Å; Y332-I346 HydrophobicContact CD1-CD1 4.01Å; Y332-I346 HydrophobicContact CD2-CD1 3.61Å; Y332-I346 HydrophobicContact CD2-CG1 4.18Å; Y332-I346 HydrophobicContact CE1-CB 4.17Å; Y332-I346 HydrophobicContact CE1-CD1 4.05Å; Y332-I346 HydrophobicContact CE1-CG1 4.23Å; Y332-I346 HydrophobicContact CE2-CB 4.43Å; Y332-I346 HydrophobicContact CE2-CD1 3.7Å; Y332-I346 HydrophobicContact CE2-CG1 3.72Å; Y332-I346 HydrophobicContact CG-CD1 3.78Å; Y332-I346 PolarHBondContact OH-N 3.09Å; I346-G348 PolarHBondContact O-N 2.91Å; I346-V349 HydrophobicContact CB-CB 4.45Å; I346-V349 HydrophobicContact CB-CG2 3.93Å; I346-V349 HydrophobicContact CG2-CG2 3.8Å; I346-V349 WeakPolarHBondContact O-CB 3.31Å; I346-V349 PolarHBondContact O-N 3.19Å; I346-H350 PolarHBondContact O-CD2 3.09Å; I346-H350 VanDerWaalsContact O-CD2 3.29Å; I346-W445 HydrophobicContact CG2-CZ2 4.31Å
347I90.1Very high87.7Confident2 Ų236.9 Ų36.91%0.0120%0.202CC..Hα-helixtrans-56.9-42.9-169-63169.7000110.4L194 Y221 L236 N284 P345 V349 H350 L351 L385L194-I347 HydrophobicContact CD1-CD1 3.95Å; L194-I347 HydrophobicContact CD2-CD1 3.39Å; L194-I347 HydrophobicContact CG-CD1 4.3Å; Y221-I347 HydrophobicContact CE1-CG2 4.04Å; L236-I347 HydrophobicContact CD1-CG2 3.76Å; N284-I347 PolarHBondContact OD1-N 3.13Å; P345-I347 PolarHBondContact O-N 2.96Å; I347-V349 VanDerWaalsContact C-N 3.27Å; I347-V349 PolarHBondContact O-N 3.18Å; I347-H350 PolarHBondContact O-N 2.93Å; I347-H350 VanDerWaalsContact O-N 3.12Å; I347-L351 HydrophobicContact CG2-CD1 3.94Å; I347-L351 HydrophobicContact CG2-CD2 4.42Å; I347-L351 HydrophobicContact CG2-CG 3.94Å; I347-L351 WeakPolarHBondContact O-CG 3.18Å; I347-L351 PolarHBondContact O-N 3.49Å; I347-L385 HydrophobicContact CG2-CD2 4.14Å
348G86.8Confident87.6Confident0 Ų034.4 Ų34.40%018%0.18CC..Hα-helixtrans-57.5-32.1179.100000116.3I346 K352 W445I346-G348 PolarHBondContact O-N 2.91Å; G348-K352 WeakPolarHBondContact O-CG 3.43Å; G348-K352 PolarHBondContact O-N 3.14Å; G348-K352 VanDerWaalsContact O-N 3.13Å; G348-W445 VanDerWaalsContact CA-CE2 3.5Å; G348-W445 VanDerWaalsContact CA-CG 3.42Å
349V90.4Very high87.5Confident1 Ų132 Ų321%0.00617%0.174CC..Hα-helixtrans-66.1-46.6177.21750000109.5F329 Y332 R333 I346 I347 K352 D353F329-V349 HydrophobicContact CB-CG1 4.31Å; F329-V349 HydrophobicContact CB-CG2 4.39Å; F329-V349 HydrophobicContact CD1-CG2 3.94Å; F329-V349 HydrophobicContact CD2-CG1 4.11Å; F329-V349 HydrophobicContact CD2-CG2 3.79Å; F329-V349 HydrophobicContact CE1-CG2 4.1Å; F329-V349 HydrophobicContact CE2-CG2 3.97Å; F329-V349 HydrophobicContact CG-CG1 4.32Å; F329-V349 HydrophobicContact CG-CG2 3.78Å; F329-V349 HydrophobicContact CZ-CG2 4.11Å; Y332-V349 HydrophobicContact CD1-CG1 4.34Å; Y332-V349 HydrophobicContact CD1-CG2 4.27Å; Y332-V349 HydrophobicContact CE1-CB 4.12Å; Y332-V349 HydrophobicContact CE1-CG1 4.06Å; Y332-V349 HydrophobicContact CE1-CG2 4.12Å; R333-V349 VanDerWaalsContact CZ-CG1 3.48Å; I346-V349 HydrophobicContact CB-CB 4.45Å; I346-V349 HydrophobicContact CB-CG2 3.93Å; I346-V349 HydrophobicContact CG2-CG2 3.8Å; I346-V349 WeakPolarHBondContact O-CB 3.31Å; I346-V349 PolarHBondContact O-N 3.19Å; I347-V349 VanDerWaalsContact C-N 3.27Å; I347-V349 PolarHBondContact O-N 3.18Å; V349-K352 WeakPolarHBondContact O-CB 3.27Å; V349-K352 PolarHBondContact O-N 3.33Å; V349-D353 PolarHBondContact O-N 3.39Å
350H89.8Confident87.5Confident5 Ų535.2 Ų35.22%0.02320%0.202CC..Hα-helixtrans-72.4-30.7179.2-59.5-77.3000112.3Y332 P345 I346 I347 K352 D353 L354 T381 H384 L385Y332-H350 PolarHBondContact OH-NE2 3.4Å; P345-H350 WeakPolarHBondContact CB-NE2 3.15Å; I346-H350 PolarHBondContact O-CD2 3.09Å; I346-H350 VanDerWaalsContact O-CD2 3.29Å; I347-H350 PolarHBondContact O-N 2.93Å; I347-H350 VanDerWaalsContact O-N 3.12Å; H350-K352 VanDerWaalsContact C-N 3.33Å; H350-K352 PolarHBondContact O-N 3.16Å; H350-D353 WeakPolarHBondContact O-CB 3.16Å; H350-D353 PolarHBondContact O-N 3.18Å; H350-L354 WeakPolarHBondContact O-CG 3.4Å; H350-L354 PolarHBondContact O-N 2.8Å; H350-T381 HydrophobicContact CB-CG2 3.98Å; H350-H384 AromaticContact CE1-CD2 3.94Å; H350-L385 HydrophobicContact CB-CD1 4.04Å; H350-L385 HydrophobicContact CB-CD2 3.83Å; H350-L385 HydrophobicContact CB-CG 3.93Å
351L87.2Confident87.8Confident1 Ų128.4 Ų28.41%0.00518%0.175CC..Hα-helixtrans-62.2-40.2171-68.6-179.8000112Y221 Y224 L236 I347 D353 L354 I355Y221-L351 HydrophobicContact CD1-CD2 3.64Å; Y221-L351 HydrophobicContact CE1-CD2 4.13Å; Y224-L351 HydrophobicContact CD1-CB 4.11Å; Y224-L351 HydrophobicContact CD1-CD1 3.95Å; Y224-L351 HydrophobicContact CD1-CD2 3.8Å; Y224-L351 HydrophobicContact CD1-CG 4.16Å; Y224-L351 HydrophobicContact CE1-CB 3.82Å; Y224-L351 HydrophobicContact CE1-CD1 3.7Å; Y224-L351 HydrophobicContact CE1-CD2 4.29Å; Y224-L351 HydrophobicContact CE1-CG 4.14Å; Y224-L351 HydrophobicContact CG-CD2 4.48Å; L236-L351 HydrophobicContact CD1-CD1 4.48Å; L236-L351 HydrophobicContact CD2-CD1 4.5Å; L236-L351 HydrophobicContact CD2-CD2 4.08Å; I347-L351 HydrophobicContact CG2-CD1 3.94Å; I347-L351 HydrophobicContact CG2-CD2 4.42Å; I347-L351 HydrophobicContact CG2-CG 3.94Å; I347-L351 WeakPolarHBondContact O-CG 3.18Å; I347-L351 PolarHBondContact O-N 3.49Å; L351-D353 VanDerWaalsContact C-N 3.3Å; L351-D353 PolarHBondContact O-N 2.8Å; L351-L354 HydrophobicContact CD2-CD1 4.42Å; L351-L354 PolarHBondContact O-N 3.19Å; L351-I355 WeakPolarHBondContact O-CG1 3.15Å; L351-I355 PolarHBondContact O-N 3.47Å
352K86.4Confident88.4Confident55 Ų5530.2 Ų30.224%0.23918%0.179CC..Hα-helixtrans-63.3-39174.1-72.7179.4179.9-169.50111.8G348 V349 H350 I355 S356 D444G348-K352 WeakPolarHBondContact O-CG 3.43Å; G348-K352 PolarHBondContact O-N 3.14Å; G348-K352 VanDerWaalsContact O-N 3.13Å; V349-K352 WeakPolarHBondContact O-CB 3.27Å; V349-K352 PolarHBondContact O-N 3.33Å; H350-K352 VanDerWaalsContact C-N 3.33Å; H350-K352 PolarHBondContact O-N 3.16Å; K352-I355 PolarHBondContact O-N 3.47Å; K352-S356 WeakPolarHBondContact O-CB 3.14Å; K352-S356 PolarHBondContact O-N 3.14Å; K352-S356 PolarHBondContact O-OG 2.66Å; K352-D444 WeakPolarHBondContact CE-OD1 3.24Å; K352-D444 IonicContact NZ-OD1 2.73Å; K352-D444 PolarHBondContact NZ-OD1 3.25Å; K352-D444 IonicContact NZ-OD2 2.78Å; K352-D444 PolarHBondContact NZ-OD2 3.29Å
353D88.2Confident88.9Confident33 Ų3331 Ų3118%0.17618%0.184CC..Hα-helixtrans-63.7-44.6175.9-60.5-26.1000110.6R333 V349 H350 L351 I355 S356 L357 T381R333-D353 IonicContact CZ-OD1 3.85Å; R333-D353 IonicContact CZ-OD2 3.44Å; R333-D353 VanDerWaalsContact CZ-OD2 3.24Å; R333-D353 IonicContact NH1-OD1 3.17Å; R333-D353 IonicContact NH1-OD2 3.27Å; R333-D353 PolarHBondContact NH1-OD2 2.84Å; R333-D353 IonicContact NH2-OD1 3.49Å; R333-D353 PolarHBondContact NH2-OD1 3.35Å; R333-D353 IonicContact NH2-OD2 3.98Å; R333-D353 PolarHBondContact NH2-OD2 2.92Å; V349-D353 PolarHBondContact O-N 3.39Å; H350-D353 WeakPolarHBondContact O-CB 3.16Å; H350-D353 PolarHBondContact O-N 3.18Å; L351-D353 VanDerWaalsContact C-N 3.3Å; L351-D353 PolarHBondContact O-N 2.8Å; D353-I355 PolarHBondContact O-N 2.85Å; D353-S356 PolarHBondContact O-N 3.42Å; D353-L357 VanDerWaalsContact O-CB 3.23Å; D353-L357 WeakPolarHBondContact O-CB 3.43Å; D353-L357 PolarHBondContact O-N 3.1Å; D353-T381 HydrophobicContact CB-CG2 4.27Å
354L87.2Confident89.3Confident0 Ų033.7 Ų33.70%020%0.195CC..Hα-helixtrans-60.3-44.9175.7-69.9178.3000112.6A225 H350 L351 L357 H358 L378 T381 F382 L385A225-L354 HydrophobicContact CB-CB 3.86Å; H350-L354 WeakPolarHBondContact O-CG 3.4Å; H350-L354 PolarHBondContact O-N 2.8Å; L351-L354 HydrophobicContact CD2-CD1 4.42Å; L351-L354 PolarHBondContact O-N 3.19Å; L354-L357 PolarHBondContact O-N 3.49Å; L354-H358 VanDerWaalsContact O-CB 3.25Å; L354-H358 WeakPolarHBondContact O-CB 3.37Å; L354-H358 PolarHBondContact O-N 3.34Å; L354-L378 HydrophobicContact CD2-CD2 3.81Å; L354-T381 HydrophobicContact CD2-CG2 3.67Å; L354-T381 HydrophobicContact CG-CG2 3.76Å; L354-F382 HydrophobicContact CD1-CE2 4.41Å; L354-F382 HydrophobicContact CD1-CZ 4.2Å; L354-F382 HydrophobicContact CD2-CD2 4.06Å; L354-F382 HydrophobicContact CD2-CE2 3.72Å; L354-F382 HydrophobicContact CD2-CZ 4.32Å; L354-L385 HydrophobicContact CD1-CD1 3.81Å
355I84.4Confident89.1Confident51 Ų5135.3 Ų35.326%0.26221%0.212SC..Hα-helixtrans-63.6-46.8177.2-68.3164.7000110.4Y224 L351 K352 D353 L357 H358 T359Y224-I355 HydrophobicContact CD1-CD1 4.18Å; Y224-I355 HydrophobicContact CE1-CD1 3.67Å; L351-I355 WeakPolarHBondContact O-CG1 3.15Å; L351-I355 PolarHBondContact O-N 3.47Å; K352-I355 PolarHBondContact O-N 3.47Å; D353-I355 PolarHBondContact O-N 2.85Å; I355-L357 VanDerWaalsContact C-N 3.32Å; I355-L357 PolarHBondContact O-N 2.77Å; I355-H358 PolarHBondContact O-N 3.47Å; I355-T359 HydrophobicContact CG2-CG2 4.39Å; I355-T359 WeakPolarHBondContact O-CB 3.28Å; I355-T359 WeakPolarHBondContact O-CG2 3.47Å; I355-T359 PolarHBondContact O-N 3.01Å; I355-T359 PolarHBondContact O-OG1 3.46Å
356S87Confident88.5Confident69 Ų6943.5 Ų43.548%0.48326%0.255SS..Hα-helixtrans-61.7-43.3-179.7-56.50000110.8K352 D353 T359 A360K352-S356 WeakPolarHBondContact O-CB 3.14Å; K352-S356 PolarHBondContact O-N 3.14Å; K352-S356 PolarHBondContact O-OG 2.66Å; D353-S356 PolarHBondContact O-N 3.42Å; S356-T359 PolarHBondContact O-N 3.08Å; S356-T359 PolarHBondContact O-OG1 2.88Å; S356-T359 VanDerWaalsContact O-OG1 3.11Å; S356-A360 WeakPolarHBondContact O-CB 3.41Å; S356-A360 PolarHBondContact O-N 3.47Å
357L89.1Confident88.2Confident13 Ų1349.1 Ų49.17%0.06829%0.285CS..Hα-helixtrans-67.4-41.9177.9-175.257.1000112.2D353 L354 I355 T359 V361 K374 Q377 L378D353-L357 VanDerWaalsContact O-CB 3.23Å; D353-L357 WeakPolarHBondContact O-CB 3.43Å; D353-L357 PolarHBondContact O-N 3.1Å; L354-L357 PolarHBondContact O-N 3.49Å; I355-L357 VanDerWaalsContact C-N 3.32Å; I355-L357 PolarHBondContact O-N 2.77Å; L357-T359 VanDerWaalsContact C-N 3.32Å; L357-T359 PolarHBondContact O-N 3.21Å; L357-V361 HydrophobicContact CD1-CB 4.03Å; L357-V361 HydrophobicContact CD1-CG2 3.7Å; L357-V361 PolarHBondContact O-N 3.49Å; L357-K374 HydrophobicContact CD1-CG 4.02Å; L357-K374 HydrophobicContact CD2-CG 4.41Å; L357-K374 HydrophobicContact CG-CG 4.02Å; L357-K374 WeakPolarHBondContact O-CE 3.34Å; L357-Q377 HydrophobicContact CD1-CB 4.13Å; L357-Q377 HydrophobicContact CD2-CB 3.56Å; L357-L378 HydrophobicContact CD2-CB 4.32Å; L357-L378 HydrophobicContact CD2-CD2 3.72Å; L357-L378 HydrophobicContact CD2-CG 3.62Å; L357-L378 HydrophobicContact CG-CD2 4.39Å; L357-L378 HydrophobicContact CG-CG 4.43Å
358H87.9Confident88.1Confident48 Ų4857 Ų5722%0.22232%0.32CS..Hα-helixtrans-62.1-41.2177.5177.158.3000111.8W86 A225 L354 I355 K374W86-H358 HydrophobicContact CZ2-CB 4.23Å; W86-H358 AromaticContact CZ2-ND1 3.93Å; A225-H358 PolarHBondContact O-CD2 2.79Å; L354-H358 VanDerWaalsContact O-CB 3.25Å; L354-H358 WeakPolarHBondContact O-CB 3.37Å; L354-H358 PolarHBondContact O-N 3.34Å; I355-H358 PolarHBondContact O-N 3.47Å; H358-K374 PolarHBondContact O-NZ 3.15Å
359T86.3Confident88.3Confident104 Ų10459.3 Ų59.364%0.63833%0.331SS*.Hα-helixtrans-81.2-33.8-176.8520000114I355 S356 L357I355-T359 HydrophobicContact CG2-CG2 4.39Å; I355-T359 WeakPolarHBondContact O-CB 3.28Å; I355-T359 WeakPolarHBondContact O-CG2 3.47Å; I355-T359 PolarHBondContact O-N 3.01Å; I355-T359 PolarHBondContact O-OG1 3.46Å; S356-T359 PolarHBondContact O-N 3.08Å; S356-T359 PolarHBondContact O-OG1 2.88Å; S356-T359 VanDerWaalsContact O-OG1 3.11Å; L357-T359 VanDerWaalsContact C-N 3.32Å; L357-T359 PolarHBondContact O-N 3.21Å
360A88.8Confident88.5Confident82 Ų8259.4 Ų59.468%0.67833%0.331SS*.Hα-helixtrans-90.8-29.4-173.700000114.2S356S356-A360 WeakPolarHBondContact O-CB 3.41Å; S356-A360 PolarHBondContact O-N 3.47Å
361V90Very high88.7Confident31 Ų3160.6 Ų60.619%0.18834%0.337CS..SBendtrans-117.9127.7-173.2-172.30000109.2L357 N371 K374L357-V361 HydrophobicContact CD1-CB 4.03Å; L357-V361 HydrophobicContact CD1-CG2 3.7Å; L357-V361 PolarHBondContact O-N 3.49Å; V361-N371 WeakPolarHBondContact CG1-ND2 3.29Å; V361-K374 HydrophobicContact CB-CB 4.45Å; V361-K374 HydrophobicContact CB-CD 4.18Å; V361-K374 HydrophobicContact CB-CG 4.23Å; V361-K374 HydrophobicContact CG1-CB 3.76Å; V361-K374 HydrophobicContact CG1-CD 4.16Å; V361-K374 HydrophobicContact CG1-CG 4.07Å; V361-K374 WeakPolarHBondContact O-CD 3.46Å; V361-K374 WeakPolarHBondContact O-CE 3.47Å; V361-K374 PolarHBondContact O-NZ 3.12Å
362P92.7Very high89Confident82 Ų8260.6 Ų60.653%0.53234%0.337SS..  trans-69.3146.8178.929.2-35.2000111.4Y364 N371 K374P362-Y364 VanDerWaalsContact C-N 3.32Å; P362-N371 WeakPolarHBondContact O-CB 3.36Å; P362-N371 PolarHBondContact O-ND2 2.97Å; P362-K374 WeakPolarHBondContact O-CD 3.48Å
363D93.2Very high89.2Confident38 Ų3863.7 Ų63.720%0.20335%0.353CS..SBendtrans-67.4-34.3176.2-69-44.5000112.2W86 Y87 N371 K374W86-D363 PolarHBondContact NE1-OD1 2.81Å; Y87-D363 HydrophobicContact CD1-CB 4.5Å; Y87-D363 HydrophobicContact CE1-CB 4.21Å; D363-N371 PolarHBondContact O-N 3.11Å; D363-K374 VanDerWaalsContact CG-NZ 3.34Å; D363-K374 WeakPolarHBondContact OD1-CD 3.45Å; D363-K374 WeakPolarHBondContact OD1-CE 3.21Å; D363-K374 IonicContact OD1-NZ 3.77Å; D363-K374 PolarHBondContact OD1-NZ 3.36Å; D363-K374 IonicContact OD2-NZ 3.29Å
364Y94.5Very high89.5Confident93 Ų9362.1 Ų62.137%0.36535%0.345SS..BIsolated β-bridgetrans-127.7149.2-177.9-53.6-85.4000111.6Y87 P362 K368 E369 I370Y87-Y364 WeakPolarHBondContact CA-OH 3.41Å; Y87-Y364 HydrophobicContact CD1-CE1 4.26Å; Y87-Y364 PolarHBondContact O-OH 3.38Å; P362-Y364 VanDerWaalsContact C-N 3.32Å; Y364-K368 WeakPolarHBondContact CD1-O 3.47Å; Y364-E369 CarbonylContact C-O 3.58Å; Y364-E369 WeakPolarHBondContact CA-O 3.28Å; Y364-I370 HydrophobicContact CE1-CG1 4.31Å
365G87.3Confident89.8Confident34 Ų3462.1 Ų62.135%0.35135%0.345SS..  trans-79.6-173.9163.300000112.2D367 K368 E369G365-D367 VanDerWaalsContact C-N 3.29Å; G365-D367 PolarHBondContact O-N 3.34Å; G365-K368 PolarHBondContact O-N 3Å; G365-E369 PolarHBondContact N-O 2.97Å
366D79.5Confident90.1Very high171 Ų17160.5 Ų60.591%0.91434%0.337SS*.THydrogen-bonded Turntrans-59.4-36.4-171.2-61.9-37000113.1K368D366-K368 VanDerWaalsContact C-N 3.34Å; D366-K368 PolarHBondContact O-N 3.45Å
367D85.9Confident90.4Very high118 Ų11860.9 Ų60.963%0.63133%0.331SS*.THydrogen-bonded Turntrans-93.624.2-178.2-67.5-41.4000114.1H21 G365 E369H21-D367 PolarHBondContact CE1-O 3.29Å; H21-D367 VanDerWaalsContact CE1-O 3.26Å; G365-D367 VanDerWaalsContact C-N 3.29Å; G365-D367 PolarHBondContact O-N 3.34Å; D367-E369 HydrophobicContact CB-CG 4.19Å; D367-E369 PolarHBondContact O-N 3.3Å
368K87.6Confident90.5Very high169 Ų16960.2 Ų60.274%0.73533%0.328SS*.SBendtrans5921.5-172.5-54.7179.8178.1176.40113.7Y364 G365 D366Y364-K368 WeakPolarHBondContact CD1-O 3.47Å; G365-K368 PolarHBondContact O-N 3Å; D366-K368 VanDerWaalsContact C-N 3.34Å; D366-K368 PolarHBondContact O-N 3.45Å
369E92Very high90.6Very high48 Ų4858 Ų5822%0.22432%0.317CS..  trans-75.1138.3171-61.5-174.4143.600109.8S19 L20 H21 Y364 G365 D367 N371S19-E369 WeakPolarHBondContact CB-OE2 3.36Å; S19-E369 PolarHBondContact OG-OE2 2.85Å; L20-E369 CarbonylContact O-C 3.47Å; H21-E369 IonicContact CD2-OE1 3.42Å; H21-E369 IonicContact NE2-OE1 3.58Å; Y364-E369 CarbonylContact C-O 3.58Å; Y364-E369 WeakPolarHBondContact CA-O 3.28Å; G365-E369 PolarHBondContact N-O 2.97Å; D367-E369 HydrophobicContact CB-CG 4.19Å; D367-E369 PolarHBondContact O-N 3.3Å; E369-N371 PolarHBondContact O-N 2.79Å
370I93.8Very high90.6Very high2 Ų254.9 Ų54.91%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-63.6132177.6-61.2168.8000108.9S19 L20 M22 L25 Y87 Y364 C372 F375S19-I370 VanDerWaalsContact CA-O 3.23Å; S19-I370 WeakPolarHBondContact CA-O 3.19Å; L20-I370 PolarHBondContact N-O 2.89Å; L20-I370 WeakPolarHBondContact O-CB 3.45Å; L20-I370 PolarHBondContact O-N 3.44Å; M22-I370 HydrophobicContact CB-CD1 4.24Å; M22-I370 HydrophobicContact CE-CD1 3.44Å; M22-I370 VanDerWaalsContact CE-CD1 3.44Å; M22-I370 HydrophobicContact CE-CG1 4.34Å; M22-I370 HydrophobicContact SD-CD1 3.97Å; L25-I370 HydrophobicContact CD2-CD1 3.84Å; Y87-I370 HydrophobicContact CD1-CG1 4.33Å; Y87-I370 HydrophobicContact CD1-CG2 4.02Å; Y87-I370 HydrophobicContact CE1-CG2 3.69Å; Y87-I370 HydrophobicContact CE2-CG2 4.45Å; Y364-I370 HydrophobicContact CE1-CG1 4.31Å; I370-C372 PolarHBondContact O-N 3.26Å; I370-C372 VanDerWaalsContact O-N 3.1Å; I370-F375 HydrophobicContact CG2-CB 4.36Å; I370-F375 HydrophobicContact CG2-CD2 4.29Å
371N93.9Very high90.6Very high30 Ų3051.8 Ų51.816%0.1628%0.275CS..EExtended strand (participates in β ladder)trans-71.5103.3170.5-174.8-36.9000110.1V361 P362 D363 E369 Q373 K374 F375V361-N371 WeakPolarHBondContact CG1-ND2 3.29Å; P362-N371 WeakPolarHBondContact O-CB 3.36Å; P362-N371 PolarHBondContact O-ND2 2.97Å; D363-N371 PolarHBondContact O-N 3.11Å; E369-N371 PolarHBondContact O-N 2.79Å; N371-Q373 VanDerWaalsContact C-N 3.3Å; N371-Q373 PolarHBondContact O-N 2.87Å; N371-Q373 WeakPolarHBondContact OD1-CB 3.36Å; N371-Q373 PolarHBondContact OD1-N 2.83Å; N371-Q373 VanDerWaalsContact OD1-N 3.12Å; N371-K374 HydrophobicContact CB-CB 4.03Å; N371-K374 PolarHBondContact O-N 2.93Å; N371-K374 PolarHBondContact OD1-N 3.48Å; N371-F375 PolarHBondContact O-N 3.37Å
372C92.9Very high90.5Very high1 Ų150.3 Ų50.31%0.00727%0.266CS..Hα-helixtrans-66-31.8-175.5-66.40000112.7L15 Q17 K18 I370 F375 T376L15-C372 HydrophobicContact CB-CB 3.81Å; L15-C372 HydrophobicContact CD1-CB 3.92Å; Q17-C372 WeakPolarHBondContact O-CB 3.16Å; K18-C372 WeakPolarHBondContact O-CB 3.28Å; K18-C372 PolarHBondContact O-N 2.94Å; K18-C372 VanDerWaalsContact O-N 3.15Å; I370-C372 PolarHBondContact O-N 3.26Å; I370-C372 VanDerWaalsContact O-N 3.1Å; C372-F375 WeakPolarHBondContact O-CB 3.43Å; C372-F375 PolarHBondContact O-N 3.01Å; C372-T376 WeakPolarHBondContact O-CB 3.49Å; C372-T376 PolarHBondContact O-N 3.27Å; C372-T376 PolarHBondContact O-OG1 3.38Å
373Q91.7Very high89.9Confident120 Ų12046.5 Ų46.556%0.56124%0.241SC*.Hα-helixtrans-63.8-45.5174.1-178.2-177.30.700110.8N371 F375 T376 Q377N371-Q373 VanDerWaalsContact C-N 3.3Å; N371-Q373 PolarHBondContact O-N 2.87Å; N371-Q373 WeakPolarHBondContact OD1-CB 3.36Å; N371-Q373 PolarHBondContact OD1-N 2.83Å; N371-Q373 VanDerWaalsContact OD1-N 3.12Å; Q373-F375 VanDerWaalsContact C-N 3.35Å; Q373-T376 PolarHBondContact O-N 3.45Å; Q373-Q377 WeakPolarHBondContact O-CG 3.3Å; Q373-Q377 PolarHBondContact O-N 3.24Å
374K93.7Very high89.4Confident1 Ų147.2 Ų47.20%0.00424%0.243CC..Hα-helixtrans-62.4-44.3175.3-165.6179.6-172.4172.20111L357 H358 V361 P362 D363 N371 T376 Q377 L378L357-K374 HydrophobicContact CD1-CG 4.02Å; L357-K374 HydrophobicContact CD2-CG 4.41Å; L357-K374 HydrophobicContact CG-CG 4.02Å; L357-K374 WeakPolarHBondContact O-CE 3.34Å; H358-K374 PolarHBondContact O-NZ 3.15Å; V361-K374 HydrophobicContact CB-CB 4.45Å; V361-K374 HydrophobicContact CB-CD 4.18Å; V361-K374 HydrophobicContact CB-CG 4.23Å; V361-K374 HydrophobicContact CG1-CB 3.76Å; V361-K374 HydrophobicContact CG1-CD 4.16Å; V361-K374 HydrophobicContact CG1-CG 4.07Å; V361-K374 WeakPolarHBondContact O-CD 3.46Å; V361-K374 WeakPolarHBondContact O-CE 3.47Å; V361-K374 PolarHBondContact O-NZ 3.12Å; P362-K374 WeakPolarHBondContact O-CD 3.48Å; D363-K374 VanDerWaalsContact CG-NZ 3.34Å; D363-K374 WeakPolarHBondContact OD1-CD 3.45Å; D363-K374 WeakPolarHBondContact OD1-CE 3.21Å; D363-K374 IonicContact OD1-NZ 3.77Å; D363-K374 PolarHBondContact OD1-NZ 3.36Å; D363-K374 IonicContact OD2-NZ 3.29Å; N371-K374 HydrophobicContact CB-CB 4.03Å; N371-K374 PolarHBondContact O-N 2.93Å; N371-K374 PolarHBondContact OD1-N 3.48Å; K374-T376 PolarHBondContact O-N 2.94Å; K374-Q377 PolarHBondContact O-N 3.41Å; K374-L378 HydrophobicContact CD-CD1 4.48Å; K374-L378 HydrophobicContact CG-CD1 4.04Å; K374-L378 HydrophobicContact CG-CG 4.3Å; K374-L378 WeakPolarHBondContact O-CB 3.44Å; K374-L378 WeakPolarHBondContact O-CG 3.36Å; K374-L378 PolarHBondContact O-N 3.25Å
375F93.4Very high88.9Confident0 Ų043 Ų430%023%0.227CC..Hα-helixtrans-54.6-51.3177-173.9-80.3000111.7F13 L15 L25 A79 L83 Y87 I370 N371 C372 Q373 Q377 L378 F379F13-F375 HydrophobicContact CE1-CD1 4.38Å; F13-F375 HydrophobicContact CE1-CE1 4.11Å; L15-F375 HydrophobicContact CD1-CB 4.23Å; L15-F375 HydrophobicContact CD1-CD1 3.56Å; L15-F375 HydrophobicContact CD1-CE1 4.14Å; L15-F375 HydrophobicContact CD1-CG 4Å; L15-F375 HydrophobicContact CG-CD1 4.45Å; L25-F375 HydrophobicContact CD2-CE2 4.05Å; L25-F375 HydrophobicContact CD2-CZ 4.42Å; A79-F375 HydrophobicContact CB-CE1 3.77Å; A79-F375 HydrophobicContact CB-CZ 4.22Å; L83-F375 HydrophobicContact CB-CE2 3.94Å; L83-F375 HydrophobicContact CB-CZ 4.17Å; L83-F375 HydrophobicContact CD1-CD1 4.11Å; L83-F375 HydrophobicContact CD1-CD2 4.13Å; L83-F375 HydrophobicContact CD1-CE1 4.03Å; L83-F375 HydrophobicContact CD1-CE2 4.02Å; L83-F375 HydrophobicContact CD1-CG 4.14Å; L83-F375 HydrophobicContact CD1-CZ 3.97Å; L83-F375 VanDerWaalsContact CD1-O 3.22Å; L83-F375 WeakPolarHBondContact CD1-O 3.27Å; Y87-F375 HydrophobicContact CD2-CD2 4.06Å; Y87-F375 HydrophobicContact CD2-CE2 4.32Å; Y87-F375 AromaticContact CE2-CD2 3.37Å; Y87-F375 HydrophobicContact CE2-CD2 3.37Å; Y87-F375 AromaticContact CE2-CE2 3.97Å; Y87-F375 HydrophobicContact CE2-CE2 3.97Å; Y87-F375 HydrophobicContact CE2-CG 4.34Å; Y87-F375 AromaticContact CZ-CD2 3.94Å; Y87-F375 VanDerWaalsContact OH-CA 3.3Å; Y87-F375 WeakPolarHBondContact OH-CA 3.36Å; Y87-F375 PolarHBondContact OH-N 3.41Å; I370-F375 HydrophobicContact CG2-CB 4.36Å; I370-F375 HydrophobicContact CG2-CD2 4.29Å; N371-F375 PolarHBondContact O-N 3.37Å; C372-F375 WeakPolarHBondContact O-CB 3.43Å; C372-F375 PolarHBondContact O-N 3.01Å; Q373-F375 VanDerWaalsContact C-N 3.35Å; F375-Q377 PolarHBondContact O-N 2.85Å; F375-L378 PolarHBondContact O-N 3.45Å; F375-F379 PolarHBondContact O-N 3.26Å
376T91.9Very high88.6Confident17 Ų1741.9 Ų41.910%0.10421%0.213CC..Hα-helixtrans-60.6-44177.7-70.90000112.5F13 R14 L15 C372 Q373 K374 F379 A380F13-T376 VanDerWaalsContact O-CG2 3.32Å; F13-T376 WeakPolarHBondContact O-CG2 3.37Å; R14-T376 HydrophobicContact CB-CG2 4.09Å; R14-T376 HydrophobicContact CG-CG2 3.88Å; L15-T376 PolarHBondContact N-OG1 2.95Å; C372-T376 WeakPolarHBondContact O-CB 3.49Å; C372-T376 PolarHBondContact O-N 3.27Å; C372-T376 PolarHBondContact O-OG1 3.38Å; Q373-T376 PolarHBondContact O-N 3.45Å; K374-T376 PolarHBondContact O-N 2.94Å; T376-F379 PolarHBondContact O-N 3.16Å; T376-A380 PolarHBondContact O-N 3.36Å
377Q91.4Very high88.4Confident76 Ų7634 Ų3436%0.35517%0.171SC..Hα-helixtrans-69.7-37.5-179.5-69.7179.615.100112.8L357 Q373 K374 F375 F379 T381L357-Q377 HydrophobicContact CD1-CB 4.13Å; L357-Q377 HydrophobicContact CD2-CB 3.56Å; Q373-Q377 WeakPolarHBondContact O-CG 3.3Å; Q373-Q377 PolarHBondContact O-N 3.24Å; K374-Q377 PolarHBondContact O-N 3.41Å; F375-Q377 PolarHBondContact O-N 2.85Å; Q377-F379 VanDerWaalsContact C-N 3.31Å; Q377-T381 PolarHBondContact O-N 3.46Å; Q377-T381 VanDerWaalsContact O-N 3.16Å; Q377-T381 PolarHBondContact O-OG1 3.39Å
378L92Very high88Confident0 Ų028.6 Ų28.60%014%0.142CC..Hα-helixtrans-59.8-46.1170.9-77170.1000109.6L83 W86 Y87 L354 L357 K374 F375 A380 T381 F382L83-L378 HydrophobicContact CD1-CB 3.96Å; L83-L378 HydrophobicContact CD2-CB 4.09Å; W86-L378 HydrophobicContact CD2-CD1 3.83Å; W86-L378 HydrophobicContact CD2-CD2 4.37Å; W86-L378 HydrophobicContact CE3-CD1 4.46Å; W86-L378 HydrophobicContact CE3-CD2 4.34Å; W86-L378 HydrophobicContact CG-CD1 3.93Å; W86-L378 HydrophobicContact CH2-CD2 3.9Å; W86-L378 HydrophobicContact CZ2-CD1 4.29Å; W86-L378 HydrophobicContact CZ2-CD2 3.92Å; W86-L378 HydrophobicContact CZ3-CD2 4.11Å; Y87-L378 WeakPolarHBondContact OH-CD1 3.31Å; L354-L378 HydrophobicContact CD2-CD2 3.81Å; L357-L378 HydrophobicContact CD2-CB 4.32Å; L357-L378 HydrophobicContact CD2-CD2 3.72Å; L357-L378 HydrophobicContact CD2-CG 3.62Å; L357-L378 HydrophobicContact CG-CD2 4.39Å; L357-L378 HydrophobicContact CG-CG 4.43Å; K374-L378 HydrophobicContact CD-CD1 4.48Å; K374-L378 HydrophobicContact CG-CD1 4.04Å; K374-L378 HydrophobicContact CG-CG 4.3Å; K374-L378 WeakPolarHBondContact O-CB 3.44Å; K374-L378 WeakPolarHBondContact O-CG 3.36Å; K374-L378 PolarHBondContact O-N 3.25Å; F375-L378 PolarHBondContact O-N 3.45Å; L378-A380 PolarHBondContact O-N 2.95Å; L378-T381 PolarHBondContact O-N 3.26Å; L378-T381 VanDerWaalsContact O-N 3.16Å; L378-F382 HydrophobicContact CB-CD2 4.46Å; L378-F382 HydrophobicContact CD2-CE2 4.28Å; L378-F382 WeakPolarHBondContact O-CB 3.47Å; L378-F382 VanDerWaalsContact O-CD2 3.32Å; L378-F382 WeakPolarHBondContact O-CD2 3.44Å; L378-F382 PolarHBondContact O-N 3.45Å
379F89.4Confident87.4Confident1 Ų120.9 Ų20.90%0.00411%0.108CC..Hα-helixtrans-62.2-45.9-177.5-177.4-114.5000111.7L10 F13 I78 A79 V82 L83 F375 T376 Q377 T381 F382 S383 F387L10-F379 HydrophobicContact CB-CE1 4.08Å; L10-F379 HydrophobicContact CB-CZ 4.31Å; L10-F379 HydrophobicContact CD2-CE1 3.95Å; L10-F379 HydrophobicContact CD2-CZ 3.79Å; L10-F379 HydrophobicContact CG-CZ 4.49Å; F13-F379 HydrophobicContact CB-CD1 4.23Å; F13-F379 HydrophobicContact CB-CE1 4.18Å; F13-F379 AromaticContact CD1-CD1 3.56Å; F13-F379 HydrophobicContact CD1-CD1 3.56Å; F13-F379 HydrophobicContact CD1-CE1 4.09Å; F13-F379 HydrophobicContact CD1-CG 4.3Å; F13-F379 HydrophobicContact CE1-CD1 4.36Å; F13-F379 HydrophobicContact CG-CD1 4.23Å; F13-F379 HydrophobicContact CG-CE1 4.35Å; I78-F379 HydrophobicContact CG2-CE2 4.33Å; I78-F379 HydrophobicContact CG2-CZ 4.14Å; A79-F379 VanDerWaalsContact CA-CD2 3.4Å; A79-F379 HydrophobicContact CB-CB 4.23Å; A79-F379 HydrophobicContact CB-CD1 3.84Å; A79-F379 HydrophobicContact CB-CD2 3.45Å; A79-F379 VanDerWaalsContact CB-CD2 3.45Å; A79-F379 HydrophobicContact CB-CE1 4Å; A79-F379 HydrophobicContact CB-CE2 3.67Å; A79-F379 HydrophobicContact CB-CG 3.53Å; A79-F379 HydrophobicContact CB-CZ 3.92Å; V82-F379 HydrophobicContact CB-CD2 4.4Å; V82-F379 HydrophobicContact CB-CE2 4.23Å; V82-F379 HydrophobicContact CG1-CD2 4.35Å; V82-F379 HydrophobicContact CG1-CE2 4.43Å; V82-F379 HydrophobicContact CG2-CE2 4.29Å; L83-F379 HydrophobicContact CD1-CB 3.67Å; L83-F379 HydrophobicContact CD1-CD2 4.48Å; L83-F379 HydrophobicContact CG-CB 4.42Å; L83-F379 HydrophobicContact CG-CD2 4.42Å; F375-F379 PolarHBondContact O-N 3.26Å; T376-F379 PolarHBondContact O-N 3.16Å; Q377-F379 VanDerWaalsContact C-N 3.31Å; F379-T381 VanDerWaalsContact C-N 3.27Å; F379-T381 PolarHBondContact O-N 2.85Å; F379-F382 PolarHBondContact O-N 2.91Å; F379-S383 WeakPolarHBondContact CE1-OG 2.98Å; F379-S383 WeakPolarHBondContact CE2-OG 3.22Å; F379-S383 WeakPolarHBondContact CZ-OG 3.4Å; F379-S383 VanDerWaalsContact O-CB 3.26Å; F379-S383 WeakPolarHBondContact O-CB 3.28Å; F379-S383 PolarHBondContact O-N 2.85Å; F379-S383 PolarHBondContact O-OG 3.2Å; F379-F387 HydrophobicContact CE2-CE2 4.17Å; F379-F387 HydrophobicContact CZ-CE2 4.37Å
380A87.6Confident86.4Confident38 Ų3821.4 Ų21.431%0.31411%0.111SC..Hα-helixtrans-56-43.3175.600000111.8T376 L378 S383 H384T376-A380 PolarHBondContact O-N 3.36Å; L378-A380 PolarHBondContact O-N 2.95Å; A380-S383 PolarHBondContact O-N 3.13Å; A380-H384 PolarHBondContact O-CD2 3.45Å
381T88.7Confident85.2Confident17 Ų1722.4 Ų22.410%0.10412%0.115CC..Hα-helixtrans-68.8-46.2179.6-500000112H350 D353 L354 Q377 L378 F379 S383 H384 L385H350-T381 HydrophobicContact CB-CG2 3.98Å; D353-T381 HydrophobicContact CB-CG2 4.27Å; L354-T381 HydrophobicContact CD2-CG2 3.67Å; L354-T381 HydrophobicContact CG-CG2 3.76Å; Q377-T381 PolarHBondContact O-N 3.46Å; Q377-T381 VanDerWaalsContact O-N 3.16Å; Q377-T381 PolarHBondContact O-OG1 3.39Å; L378-T381 PolarHBondContact O-N 3.26Å; L378-T381 VanDerWaalsContact O-N 3.16Å; F379-T381 VanDerWaalsContact C-N 3.27Å; F379-T381 PolarHBondContact O-N 2.85Å; T381-S383 VanDerWaalsContact C-N 3.26Å; T381-S383 PolarHBondContact O-N 3.32Å; T381-H384 PolarHBondContact O-N 3.23Å; T381-L385 HydrophobicContact CG2-CD1 4.49Å; T381-L385 PolarHBondContact O-N 2.98Å
382F86.8Confident83.6Confident0 Ų024.3 Ų24.30%013%0.129CC..Hα-helixtrans-65.8-29.7177.4-88.4-74.9000112.8V82 L83 W86 F218 Y221 L354 L378 F379 H384 L385 I386V82-F382 HydrophobicContact CG1-CB 4.09Å; L83-F382 HydrophobicContact CD2-CB 4.3Å; L83-F382 HydrophobicContact CD2-CD2 3.5Å; L83-F382 VanDerWaalsContact CD2-CD2 3.5Å; L83-F382 HydrophobicContact CD2-CE2 4.08Å; L83-F382 HydrophobicContact CD2-CG 4.07Å; W86-F382 AromaticContact CE3-CE2 3.95Å; W86-F382 HydrophobicContact CE3-CE2 3.95Å; W86-F382 HydrophobicContact CE3-CZ 4.23Å; W86-F382 AromaticContact CZ3-CE2 3.76Å; W86-F382 HydrophobicContact CZ3-CE2 3.76Å; W86-F382 AromaticContact CZ3-CZ 3.91Å; W86-F382 HydrophobicContact CZ3-CZ 3.91Å; F218-F382 HydrophobicContact CB-CE1 4.49Å; F218-F382 AromaticContact CD2-CD1 3.79Å; F218-F382 HydrophobicContact CD2-CD1 3.79Å; F218-F382 HydrophobicContact CD2-CD2 4.4Å; F218-F382 AromaticContact CD2-CE1 3.37Å; F218-F382 HydrophobicContact CD2-CE1 3.37Å; F218-F382 HydrophobicContact CD2-CE2 4.06Å; F218-F382 HydrophobicContact CD2-CG 4.27Å; F218-F382 AromaticContact CD2-CZ 3.53Å; F218-F382 HydrophobicContact CD2-CZ 3.53Å; F218-F382 HydrophobicContact CE2-CD1 4.33Å; F218-F382 HydrophobicContact CE2-CD2 4.14Å; F218-F382 AromaticContact CE2-CE1 3.84Å; F218-F382 HydrophobicContact CE2-CE1 3.84Å; F218-F382 AromaticContact CE2-CE2 3.65Å; F218-F382 HydrophobicContact CE2-CE2 3.65Å; F218-F382 HydrophobicContact CE2-CG 4.45Å; F218-F382 AromaticContact CE2-CZ 3.48Å; F218-F382 HydrophobicContact CE2-CZ 3.48Å; F218-F382 VanDerWaalsContact CE2-CZ 3.48Å; F218-F382 HydrophobicContact CG-CE1 4.2Å; F218-F382 HydrophobicContact CG-CZ 4.47Å; F218-F382 HydrophobicContact CZ-CZ 4.39Å; Y221-F382 HydrophobicContact CD2-CD1 4.46Å; Y221-F382 AromaticContact CD2-CE1 3.99Å; Y221-F382 HydrophobicContact CD2-CE1 3.99Å; Y221-F382 HydrophobicContact CG-CE1 4.09Å; L354-F382 HydrophobicContact CD1-CE2 4.41Å; L354-F382 HydrophobicContact CD1-CZ 4.2Å; L354-F382 HydrophobicContact CD2-CD2 4.06Å; L354-F382 HydrophobicContact CD2-CE2 3.72Å; L354-F382 HydrophobicContact CD2-CZ 4.32Å; L378-F382 HydrophobicContact CB-CD2 4.46Å; L378-F382 HydrophobicContact CD2-CE2 4.28Å; L378-F382 WeakPolarHBondContact O-CB 3.47Å; L378-F382 VanDerWaalsContact O-CD2 3.32Å; L378-F382 WeakPolarHBondContact O-CD2 3.44Å; L378-F382 PolarHBondContact O-N 3.45Å; F379-F382 PolarHBondContact O-N 2.91Å; F382-H384 VanDerWaalsContact C-N 3.32Å; F382-H384 PolarHBondContact O-N 3.26Å; F382-L385 PolarHBondContact O-N 3.24Å; F382-L385 VanDerWaalsContact O-N 3.13Å; F382-I386 HydrophobicContact CB-CD1 4.4Å; F382-I386 HydrophobicContact CD1-CD1 3.83Å; F382-I386 HydrophobicContact CD1-CG1 4.33Å; F382-I386 WeakPolarHBondContact O-CB 3.2Å; F382-I386 WeakPolarHBondContact O-CG1 3.37Å; F382-I386 PolarHBondContact O-N 3.46Å
383S81.8Confident82.2Confident2 Ų226.9 Ų26.91%0.01414%0.142CC..Hα-helixtrans-61.9-43.1178.2-66.40000111.3Y5 F379 A380 T381 F387 D388Y5-S383 WeakPolarHBondContact OH-CB 3.46Å; Y5-S383 PolarHBondContact OH-O 2.95Å; F379-S383 WeakPolarHBondContact CE1-OG 2.98Å; F379-S383 WeakPolarHBondContact CE2-OG 3.22Å; F379-S383 WeakPolarHBondContact CZ-OG 3.4Å; F379-S383 VanDerWaalsContact O-CB 3.26Å; F379-S383 WeakPolarHBondContact O-CB 3.28Å; F379-S383 PolarHBondContact O-N 2.85Å; F379-S383 PolarHBondContact O-OG 3.2Å; A380-S383 PolarHBondContact O-N 3.13Å; T381-S383 VanDerWaalsContact C-N 3.26Å; T381-S383 PolarHBondContact O-N 3.32Å; S383-F387 WeakPolarHBondContact O-CB 3.49Å; S383-F387 PolarHBondContact O-N 2.79Å; S383-D388 PolarHBondContact O-N 2.84Å
384H82.6Confident81Confident54 Ų5430.2 Ų30.225%0.2516%0.157CC..Hα-helixtrans-63.6-42.4171-68.9-54.3000112.9P345 H350 A380 T381 F382 D388P345-H384 WeakPolarHBondContact CG-O 3.34Å; H350-H384 AromaticContact CE1-CD2 3.94Å; A380-H384 PolarHBondContact O-CD2 3.45Å; T381-H384 PolarHBondContact O-N 3.23Å; F382-H384 VanDerWaalsContact C-N 3.32Å; F382-H384 PolarHBondContact O-N 3.26Å; H384-D388 WeakPolarHBondContact CA-OD2 3.32Å; H384-D388 IonicContact CE1-OD2 2.72Å; H384-D388 IonicContact CG-OD2 3.03Å; H384-D388 IonicContact ND1-OD2 3.62Å; H384-D388 PolarHBondContact ND1-OD2 2.95Å; H384-D388 WeakPolarHBondContact O-CB 3.49Å
385L83.8Confident79.9Confident4 Ų431.4 Ų31.42%0.02116%0.163CC..Hα-helixtrans-72.8-30.7-175.7-72.5173.2000114.1Y221 I347 H350 L354 T381 F382Y221-L385 HydrophobicContact CD1-CD1 3.92Å; Y221-L385 HydrophobicContact CE1-CB 4.49Å; Y221-L385 HydrophobicContact CE1-CD1 3.97Å; Y221-L385 HydrophobicContact CE1-CD2 3.98Å; Y221-L385 HydrophobicContact CE1-CG 4.39Å; Y221-L385 HydrophobicContact CE2-CB 4.03Å; Y221-L385 HydrophobicContact CG-CD1 4.21Å; I347-L385 HydrophobicContact CG2-CD2 4.14Å; H350-L385 HydrophobicContact CB-CD1 4.04Å; H350-L385 HydrophobicContact CB-CD2 3.83Å; H350-L385 HydrophobicContact CB-CG 3.93Å; L354-L385 HydrophobicContact CD1-CD1 3.81Å; T381-L385 HydrophobicContact CG2-CD1 4.49Å; T381-L385 PolarHBondContact O-N 2.98Å; F382-L385 PolarHBondContact O-N 3.24Å; F382-L385 VanDerWaalsContact O-N 3.13Å
386I79.5Confident79Confident11 Ų1134 Ų346%0.05618%0.18CC..Hα-helixtrans-101.7-58.4-173.6-61.8178.6000110.3V82 Y122 F382 Q390V82-I386 HydrophobicContact CG1-CD1 4.04Å; Y122-I386 VanDerWaalsContact OH-CD1 3.32Å; Y122-I386 WeakPolarHBondContact OH-CD1 3.43Å; F382-I386 HydrophobicContact CB-CD1 4.4Å; F382-I386 HydrophobicContact CD1-CD1 3.83Å; F382-I386 HydrophobicContact CD1-CG1 4.33Å; F382-I386 WeakPolarHBondContact O-CB 3.2Å; F382-I386 WeakPolarHBondContact O-CG1 3.37Å; F382-I386 PolarHBondContact O-N 3.46Å; I386-Q390 WeakPolarHBondContact O-CB 3.46Å; I386-Q390 WeakPolarHBondContact O-CG 3.36Å; I386-Q390 PolarHBondContact O-N 3.45Å
387F76.3Confident78.3Confident6 Ų638.4 Ų38.43%0.02620%0.202CC..THydrogen-bonded Turntrans-83.5-38.8-165.8-62.7-63.8000113.4W4 Y5 I78 V82 F379 S383 V389 Q390 Q391W4-F387 AromaticContact CH2-CE1 3.99Å; W4-F387 HydrophobicContact CH2-CE1 3.99Å; W4-F387 HydrophobicContact CH2-CZ 4.33Å; W4-F387 HydrophobicContact CZ3-CD1 4.2Å; W4-F387 AromaticContact CZ3-CE1 3.94Å; W4-F387 HydrophobicContact CZ3-CE1 3.94Å; Y5-F387 HydrophobicContact CD2-CB 3.48Å; Y5-F387 VanDerWaalsContact CD2-CB 3.48Å; Y5-F387 HydrophobicContact CD2-CD1 4.21Å; Y5-F387 HydrophobicContact CD2-CD2 4.05Å; Y5-F387 AromaticContact CD2-CG 3.69Å; Y5-F387 HydrophobicContact CD2-CG 3.69Å; Y5-F387 HydrophobicContact CE1-CB 4.12Å; Y5-F387 HydrophobicContact CE2-CB 3.03Å; Y5-F387 HydrophobicContact CE2-CD1 4.21Å; Y5-F387 AromaticContact CE2-CD2 3.28Å; Y5-F387 HydrophobicContact CE2-CD2 3.28Å; Y5-F387 HydrophobicContact CE2-CE2 4.21Å; Y5-F387 AromaticContact CE2-CG 3.28Å; Y5-F387 HydrophobicContact CE2-CG 3.28Å; Y5-F387 HydrophobicContact CG-CB 4.24Å; I78-F387 HydrophobicContact CG2-CE2 4.15Å; I78-F387 HydrophobicContact CG2-CZ 3.72Å; V82-F387 HydrophobicContact CG2-CE2 3.93Å; V82-F387 HydrophobicContact CG2-CZ 3.58Å; F379-F387 HydrophobicContact CE2-CE2 4.17Å; F379-F387 HydrophobicContact CZ-CE2 4.37Å; S383-F387 WeakPolarHBondContact O-CB 3.49Å; S383-F387 PolarHBondContact O-N 2.79Å; F387-V389 PolarHBondContact O-N 2.95Å; F387-Q390 PolarHBondContact O-N 3.16Å; F387-Q391 PolarHBondContact O-N 3.45Å
388D76.8Confident77.7Confident4 Ų435.9 Ų35.92%0.02119%0.192CC..G310 helixtrans-57.2-41.2176.1-72.7-9.8000110.6R343 S383 H384 Q390R343-D388 HydrophobicContact CG-CB 3.65Å; R343-D388 CarbonylContact O-C 3.38Å; S383-D388 PolarHBondContact O-N 2.84Å; H384-D388 WeakPolarHBondContact CA-OD2 3.32Å; H384-D388 IonicContact CE1-OD2 2.72Å; H384-D388 IonicContact CG-OD2 3.03Å; H384-D388 IonicContact ND1-OD2 3.62Å; H384-D388 PolarHBondContact ND1-OD2 2.95Å; H384-D388 WeakPolarHBondContact O-CB 3.49Å; D388-Q390 VanDerWaalsContact C-N 3.28Å; D388-Q390 PolarHBondContact O-N 3.1Å
389V75Confident77.1Confident6 Ų636.2 Ų36.24%0.03619%0.194CC..G310 helixtrans-75.8-14179-170.40000112.4L194 R195 P345 F387L194-V389 HydrophobicContact CB-CG1 3.54Å; L194-V389 HydrophobicContact CD1-CG1 3.8Å; L194-V389 HydrophobicContact CD1-CG2 4.49Å; L194-V389 HydrophobicContact CG-CG1 4.31Å; R195-V389 HydrophobicContact CG-CG1 4.38Å; R195-V389 WeakPolarHBondContact CG-O 3.37Å; R195-V389 PolarHBondContact NE-O 3.45Å; R195-V389 PolarHBondContact NH2-O 2.86Å; P345-V389 HydrophobicContact CG-CG2 4.2Å; F387-V389 PolarHBondContact O-N 2.95Å
390Q71.4Confident76.6Confident59 Ų5942.1 Ų42.128%0.27622%0.222SC..G310 helixtrans-94.4-14.3177.4-76.8175-5.600113.9R195 I386 F387 D388R195-Q390 PolarHBondContact NH1-O 3.15Å; I386-Q390 WeakPolarHBondContact O-CB 3.46Å; I386-Q390 WeakPolarHBondContact O-CG 3.36Å; I386-Q390 PolarHBondContact O-N 3.45Å; F387-Q390 PolarHBondContact O-N 3.16Å; D388-Q390 VanDerWaalsContact C-N 3.28Å; D388-Q390 PolarHBondContact O-N 3.1Å
391Q67.8Low76Confident23 Ų2341.1 Ų41.111%0.10721%0.212CC..SBendtrans-52.5129.1179.6-68.5-57.3-34.400112.8Y5 R195 Y342 F387 Q393Y5-Q391 VanDerWaalsContact CD1-NE2 3.29Å; Y5-Q391 VanDerWaalsContact CG-NE2 3.3Å; R195-Q391 VanDerWaalsContact CZ-O 3.31Å; R195-Q391 PolarHBondContact NH1-O 3.21Å; R195-Q391 VanDerWaalsContact NH1-O 3.15Å; R195-Q391 PolarHBondContact NH2-O 3.02Å; Y342-Q391 WeakPolarHBondContact CD2-O 3.49Å; F387-Q391 PolarHBondContact O-N 3.45Å; Q391-Q393 PolarHBondContact O-N 2.79Å
392P60.5Low75.7Confident70 Ų7040.3 Ų40.346%0.45521%0.207SC..  trans-42.5130.9176.6-37.841.9000114.1T2T2-P392 HydrophobicContact CG2-CB 3.78Å; T2-P392 HydrophobicContact CG2-CG 3.24Å
393Q64.4Low75.5Confident56 Ų5641 Ų4126%0.26221%0.212SC..  trans-86.3119.4-173.1-55.6-160.2-62.400109.5N191 Y342 Q391 L395N191-Q393 PolarHBondContact ND2-NE2 2.97Å; N191-Q393 PolarHBondContact ND2-OE1 3.32Å; N191-Q393 VanDerWaalsContact ND2-OE1 3.07Å; N191-Q393 PolarHBondContact OD1-NE2 3.11Å; Y342-Q393 HydrophobicContact CD2-CG 4.08Å; Y342-Q393 HydrophobicContact CE2-CG 4.04Å; Y342-Q393 PolarHBondContact OH-NE2 3.16Å; Q391-Q393 PolarHBondContact O-N 2.79Å; Q393-L395 HydrophobicContact CB-CB 4.26Å; Q393-L395 HydrophobicContact CB-CD1 4.32Å; Q393-L395 HydrophobicContact CB-CG 4.05Å; Q393-L395 HydrophobicContact CG-CD1 4.42Å; Q393-L395 PolarHBondContact O-N 3.21Å
394Q65.9Low75.3Confident190 Ų19042 Ų4289%0.88822%0.216SC*.  trans-91.450.4155.7-67.3-176.5-9.500109
395L70.7Confident75.1Confident25 Ų2539.5 Ų39.513%0.13121%0.205CC..PPolyproline II helixtrans-85.2140.6174.2-71.4179.1000109.3T187 L280 Y342 Q393T187-L395 HydrophobicContact CG2-CD1 3.65Å; T187-L395 HydrophobicContact CG2-CD2 4.1Å; L280-L395 HydrophobicContact CD1-CD2 4.48Å; L280-L395 HydrophobicContact CD2-CD2 3.81Å; Y342-L395 HydrophobicContact CD1-CD2 4.32Å; Y342-L395 HydrophobicContact CD1-CG 4.46Å; Y342-L395 HydrophobicContact CE1-CD1 4.04Å; Y342-L395 HydrophobicContact CE1-CD2 3.99Å; Y342-L395 HydrophobicContact CE1-CG 4.14Å; Q393-L395 HydrophobicContact CB-CB 4.26Å; Q393-L395 HydrophobicContact CB-CD1 4.32Å; Q393-L395 HydrophobicContact CB-CG 4.05Å; Q393-L395 HydrophobicContact CG-CD1 4.42Å; Q393-L395 PolarHBondContact O-N 3.21Å
396P75.6Confident75.2Confident55 Ų5539.3 Ų39.336%0.35720%0.204SC..PPolyproline II helixtrans-53.9149.6167.2-22.632.7000111.1V184V184-P396 HydrophobicContact CG1-CB 4.14Å; V184-P396 VanDerWaalsContact CG1-O 3.31Å; V184-P396 WeakPolarHBondContact CG1-O 3.45Å; V184-P396 HydrophobicContact CG2-CB 4.05Å; V184-P396 HydrophobicContact CG2-CG 3.84Å
397I76.2Confident75.2Confident110 Ų11040.8 Ų40.856%0.56421%0.21SC*.PPolyproline II helixtrans-61.5123.8-178.9-61172.3000108.4
398P78.4Confident75.1Confident22 Ų2240.8 Ų40.814%0.14321%0.211CC..PPolyproline II helixtrans-69.2148.8179.233-39000110S167 H188 E400S167-P398 WeakPolarHBondContact CB-O 3.18Å; H188-P398 HydrophobicContact CB-CB 4.03Å; H188-P398 HydrophobicContact CB-CG 4.43Å; P398-E400 PolarHBondContact O-N 3.01Å
399N80.3Confident75.2Confident8 Ų840.8 Ų40.84%0.04321%0.211CC..PPolyproline II helixtrans-81.2117.3170.5-178.7-73.4000109.4A168 V170 N185 S401 L402 T403A168-N399 PolarHBondContact O-ND2 2.87Å; V170-N399 HydrophobicContact CB-CB 4.39Å; V170-N399 WeakPolarHBondContact CB-ND2 3.45Å; V170-N399 HydrophobicContact CG2-CB 4.19Å; V170-N399 WeakPolarHBondContact CG2-ND2 3.47Å; V170-N399 PolarHBondContact N-ND2 3.04Å; N185-N399 PolarHBondContact OD1-N 2.88Å; N185-N399 VanDerWaalsContact OD1-N 3.09Å; N185-N399 PolarHBondContact OD1-O 3.36Å; N399-S401 VanDerWaalsContact C-N 3.31Å; N399-S401 PolarHBondContact O-N 2.81Å; N399-S401 WeakPolarHBondContact OD1-CA 3.44Å; N399-S401 WeakPolarHBondContact OD1-CB 3.35Å; N399-S401 PolarHBondContact OD1-N 3.17Å; N399-L402 HydrophobicContact CB-CB 3.9Å; N399-L402 PolarHBondContact O-N 2.96Å; N399-L402 PolarHBondContact OD1-N 3.41Å; N399-T403 WeakPolarHBondContact O-CB 3.46Å; N399-T403 PolarHBondContact O-N 2.74Å; N399-T403 PolarHBondContact O-OG1 3.04Å
400E79.6Confident75.6Confident125 Ų12540.7 Ų40.758%0.58421%0.211SC*.Hα-helixtrans-63.9-37-174.2-168.3179.6-173.100113P398 T403 N404P398-E400 PolarHBondContact O-N 3.01Å; E400-T403 PolarHBondContact O-N 2.65Å; E400-N404 WeakPolarHBondContact O-CB 3.47Å; E400-N404 VanDerWaalsContact O-CG 3.25Å; E400-N404 PolarHBondContact O-N 3.33Å; E400-N404 PolarHBondContact O-ND2 2.71Å; E400-N404 VanDerWaalsContact O-ND2 3.16Å
401S74.1Confident75.6Confident17 Ų1738.3 Ų38.312%0.11920%0.2CC..Hα-helixtrans-67.7-44-179.7-59.30000111.1N399 N404 T405N399-S401 VanDerWaalsContact C-N 3.31Å; N399-S401 PolarHBondContact O-N 2.81Å; N399-S401 WeakPolarHBondContact OD1-CA 3.44Å; N399-S401 WeakPolarHBondContact OD1-CB 3.35Å; N399-S401 PolarHBondContact OD1-N 3.17Å; S401-N404 PolarHBondContact O-N 2.79Å; S401-T405 WeakPolarHBondContact O-CB 3.29Å; S401-T405 PolarHBondContact O-N 3.07Å; S401-T405 PolarHBondContact O-OG1 3.15Å
402L81.7Confident75.7Confident0 Ų038.2 Ų38.20%020%0.2CC..Hα-helixtrans-62.5-48.9173.1176.151.3000111.4W177 D181 N185 N399 N404 T405 L406W177-L402 HydrophobicContact CD2-CD1 3.44Å; W177-L402 VanDerWaalsContact CD2-CD1 3.44Å; W177-L402 HydrophobicContact CD2-CD2 4.45Å; W177-L402 HydrophobicContact CE3-CD1 3.61Å; W177-L402 HydrophobicContact CG-CD1 4.2Å; W177-L402 HydrophobicContact CG-CD2 4.43Å; W177-L402 HydrophobicContact CH2-CD1 3.42Å; W177-L402 VanDerWaalsContact CH2-CD1 3.42Å; W177-L402 HydrophobicContact CZ2-CD1 3.26Å; W177-L402 HydrophobicContact CZ3-CD1 3.59Å; D181-L402 HydrophobicContact CB-CD2 3.92Å; N185-L402 HydrophobicContact CB-CD2 4.19Å; N185-L402 HydrophobicContact CB-CG 4.12Å; N185-L402 WeakPolarHBondContact ND2-CD2 3.48Å; N399-L402 HydrophobicContact CB-CB 3.9Å; N399-L402 PolarHBondContact O-N 2.96Å; N399-L402 PolarHBondContact OD1-N 3.41Å; L402-N404 VanDerWaalsContact C-N 3.29Å; L402-N404 PolarHBondContact O-N 3.28Å; L402-T405 WeakPolarHBondContact O-CB 3.07Å; L402-T405 PolarHBondContact O-N 2.81Å; L402-T405 VanDerWaalsContact O-N 3.11Å; L402-L406 HydrophobicContact CD1-CD1 3.85Å; L402-L406 HydrophobicContact CD1-CG 3.86Å; L402-L406 HydrophobicContact CG-CD1 3.93Å; L402-L406 HydrophobicContact CG-CG 4.4Å; L402-L406 WeakPolarHBondContact O-CG 3.32Å; L402-L406 PolarHBondContact O-N 2.7Å
403T82.8Confident75.7Confident15 Ų1536 Ų369%0.09219%0.187CC..Hα-helixtrans-54.6-45.3177.1-74.40000111.6N185 I189 N399 E400 K407N185-T403 PolarHBondContact OD1-OG1 3.47Å; I189-T403 HydrophobicContact CG1-CG2 4.08Å; N399-T403 WeakPolarHBondContact O-CB 3.46Å; N399-T403 PolarHBondContact O-N 2.74Å; N399-T403 PolarHBondContact O-OG1 3.04Å; E400-T403 PolarHBondContact O-N 2.65Å; T403-K407 HydrophobicContact CG2-CD 4.32Å; T403-K407 VanDerWaalsContact O-CG 3.27Å; T403-K407 WeakPolarHBondContact O-CG 3.34Å; T403-K407 PolarHBondContact O-N 2.84Å
404N77.7Confident75.8Confident21 Ų2134 Ų3411%0.11218%0.177CC..Hα-helixtrans-68.6-36.4179.4-71-29000112.2E400 S401 L402 K407 V408 A464E400-N404 WeakPolarHBondContact O-CB 3.47Å; E400-N404 VanDerWaalsContact O-CG 3.25Å; E400-N404 PolarHBondContact O-N 3.33Å; E400-N404 PolarHBondContact O-ND2 2.71Å; E400-N404 VanDerWaalsContact O-ND2 3.16Å; S401-N404 PolarHBondContact O-N 2.79Å; L402-N404 VanDerWaalsContact C-N 3.29Å; L402-N404 PolarHBondContact O-N 3.28Å; N404-K407 PolarHBondContact O-N 3.09Å; N404-K407 PolarHBondContact OD1-NZ 3.35Å; N404-V408 PolarHBondContact O-N 2.97Å; N404-A464 HydrophobicContact CB-CB 4.15Å
405T78.9Confident76Confident3 Ų327.9 Ų27.92%0.01815%0.151CC..Hα-helixtrans-65.3-47.3175.5-58.80000111.5L172 W177 S401 L402 K407 V408 A409 F493L172-T405 WeakPolarHBondContact CD2-OG1 3.09Å; W177-T405 HydrophobicContact CH2-CG2 3.91Å; W177-T405 HydrophobicContact CZ2-CG2 4.15Å; S401-T405 WeakPolarHBondContact O-CB 3.29Å; S401-T405 PolarHBondContact O-N 3.07Å; S401-T405 PolarHBondContact O-OG1 3.15Å; L402-T405 WeakPolarHBondContact O-CB 3.07Å; L402-T405 PolarHBondContact O-N 2.81Å; L402-T405 VanDerWaalsContact O-N 3.11Å; T405-K407 VanDerWaalsContact C-N 3.34Å; T405-K407 PolarHBondContact O-N 2.87Å; T405-V408 PolarHBondContact O-N 3.32Å; T405-V408 VanDerWaalsContact O-N 3.14Å; T405-A409 PolarHBondContact O-N 3.48Å; T405-F493 HydrophobicContact CG2-CE1 3.97Å; T405-F493 HydrophobicContact CG2-CZ 3.64Å
406L84.5Confident76.2Confident0 Ų030.8 Ų30.80%017%0.166CC..Hα-helixtrans-59.5-43175.6-73.3170.9000111.5W177 L182 N185 L186 I189 W249 L402 V408 A409 L410W177-L406 HydrophobicContact CZ3-CD2 4.05Å; L182-L406 HydrophobicContact CD2-CD1 4.41Å; L182-L406 HydrophobicContact CD2-CD2 4.14Å; N185-L406 HydrophobicContact CB-CD1 3.76Å; L186-L406 HydrophobicContact CD2-CD1 4.32Å; L186-L406 HydrophobicContact CG-CD1 4.47Å; I189-L406 HydrophobicContact CD1-CB 3.63Å; I189-L406 HydrophobicContact CD1-CD1 4.22Å; W249-L406 HydrophobicContact CH2-CD2 3.79Å; W249-L406 HydrophobicContact CZ2-CD2 4.02Å; W249-L406 HydrophobicContact CZ3-CD2 4.26Å; L402-L406 HydrophobicContact CD1-CD1 3.85Å; L402-L406 HydrophobicContact CD1-CG 3.86Å; L402-L406 HydrophobicContact CG-CD1 3.93Å; L402-L406 HydrophobicContact CG-CG 4.4Å; L402-L406 WeakPolarHBondContact O-CG 3.32Å; L402-L406 PolarHBondContact O-N 2.7Å; L406-V408 PolarHBondContact O-N 3.42Å; L406-A409 PolarHBondContact O-N 3.15Å; L406-L410 VanDerWaalsContact O-CB 3.3Å; L406-L410 WeakPolarHBondContact O-CB 3.49Å; L406-L410 WeakPolarHBondContact O-CG 3.47Å; L406-L410 PolarHBondContact O-N 3.41Å
407K81Confident76.1Confident42 Ų4232.5 Ų32.518%0.18317%0.17CC..Hα-helixtrans-58.5-34.1176.4-74.7170.1-172.5162.20113.5I189 T403 N404 T405I189-K407 HydrophobicContact CD1-CG 4.19Å; I189-K407 HydrophobicContact CG1-CG 4.29Å; T403-K407 HydrophobicContact CG2-CD 4.32Å; T403-K407 VanDerWaalsContact O-CG 3.27Å; T403-K407 WeakPolarHBondContact O-CG 3.34Å; T403-K407 PolarHBondContact O-N 2.84Å; N404-K407 PolarHBondContact O-N 3.09Å; N404-K407 PolarHBondContact OD1-NZ 3.35Å; T405-K407 VanDerWaalsContact C-N 3.34Å; T405-K407 PolarHBondContact O-N 2.87Å
408V74.6Confident76Confident6 Ų630.2 Ų30.24%0.03616%0.157CC..Hα-helixtrans-74.7-48.5174.31790000110.3N404 T405 L406 L410 N411 H461 M465 F519N404-V408 PolarHBondContact O-N 2.97Å; T405-V408 PolarHBondContact O-N 3.32Å; T405-V408 VanDerWaalsContact O-N 3.14Å; L406-V408 PolarHBondContact O-N 3.42Å; V408-L410 VanDerWaalsContact C-N 3.32Å; V408-L410 PolarHBondContact O-N 3.29Å; V408-N411 PolarHBondContact O-N 3.41Å; V408-N411 VanDerWaalsContact O-N 3.07Å; V408-H461 HydrophobicContact CG2-CB 3.8Å; V408-H461 WeakPolarHBondContact CG2-O 3.48Å; V408-M465 HydrophobicContact CB-SD 3.72Å; V408-M465 HydrophobicContact CG1-CE 4.17Å; V408-M465 HydrophobicContact CG1-SD 3.6Å; V408-M465 VanDerWaalsContact CG1-SD 3.6Å; V408-M465 HydrophobicContact CG2-CB 3.81Å; V408-M465 HydrophobicContact CG2-CE 4.39Å; V408-M465 HydrophobicContact CG2-CG 4.32Å; V408-M465 HydrophobicContact CG2-SD 3.85Å; V408-F519 HydrophobicContact CG1-CD1 3.94Å; V408-F519 HydrophobicContact CG1-CE1 4.11Å
409A79Confident76.1Confident3 Ų329.3 Ų29.33%0.02515%0.151CC..Hα-helixtrans-58.6-42-178.700000112.8T405 L406 N411 I412 F493T405-A409 PolarHBondContact O-N 3.48Å; L406-A409 PolarHBondContact O-N 3.15Å; A409-N411 PolarHBondContact O-N 3.01Å; A409-I412 PolarHBondContact O-N 3.08Å; A409-F493 HydrophobicContact CB-CD1 4.42Å; A409-F493 HydrophobicContact CB-CE1 4.42Å
410L82.2Confident76.3Confident5 Ų532.6 Ų32.63%0.02616%0.163CC..THydrogen-bonded Turntrans-69.4-19.9178.9-66.6178.5000112.8L186 I189 T242 S245 I246 W249 L406 V408 I412L186-L410 HydrophobicContact CD2-CD1 4.11Å; I189-L410 HydrophobicContact CD1-CD1 4.4Å; T242-L410 HydrophobicContact CG2-CD1 4.35Å; S245-L410 WeakPolarHBondContact CB-O 3.26Å; S245-L410 PolarHBondContact OG-O 3.49Å; I246-L410 HydrophobicContact CB-CD2 4.2Å; I246-L410 HydrophobicContact CG1-CD1 3.85Å; I246-L410 HydrophobicContact CG1-CD2 3.61Å; I246-L410 HydrophobicContact CG1-CG 4.38Å; W249-L410 HydrophobicContact CB-CD2 3.87Å; W249-L410 HydrophobicContact CD2-CD2 4.23Å; W249-L410 HydrophobicContact CE3-CD2 4.17Å; W249-L410 HydrophobicContact CG-CD2 4.12Å; L406-L410 VanDerWaalsContact O-CB 3.3Å; L406-L410 WeakPolarHBondContact O-CB 3.49Å; L406-L410 WeakPolarHBondContact O-CG 3.47Å; L406-L410 PolarHBondContact O-N 3.41Å; V408-L410 VanDerWaalsContact C-N 3.32Å; V408-L410 PolarHBondContact O-N 3.29Å; L410-I412 VanDerWaalsContact C-N 3.32Å
411N72.6Confident76.5Confident9 Ų933.1 Ų33.15%0.04816%0.16CC..THydrogen-bonded Turntrans-91.14.8179.1-161.548.7000113.8V408 A409 A413 N451 V453 M458 R523V408-N411 PolarHBondContact O-N 3.41Å; V408-N411 VanDerWaalsContact O-N 3.07Å; A409-N411 PolarHBondContact O-N 3.01Å; N411-A413 PolarHBondContact O-N 3.43Å; N411-N451 VanDerWaalsContact OD1-CG 3.28Å; N411-N451 PolarHBondContact OD1-ND2 3.32Å; N411-V453 HydrophobicContact CB-CG2 4.48Å; N411-V453 WeakPolarHBondContact OD1-CG2 3.44Å; N411-M458 HydrophobicContact CB-CE 3.33Å; N411-M458 VanDerWaalsContact CG-CE 3.42Å; N411-M458 WeakPolarHBondContact ND2-CE 3.3Å; N411-R523 PolarHBondContact ND2-NE 3.47Å; N411-R523 PolarHBondContact ND2-NH2 2.82Å; N411-R523 VanDerWaalsContact ND2-NH2 3.17Å; N411-R523 PolarHBondContact OD1-NH2 2.68Å
412I68.8Low76.9Confident21 Ų2133.9 Ų33.911%0.10816%0.163CC..  trans-76.2115.3169.5-54.2172.4000106.9A409 L410 Y414 F522A409-I412 PolarHBondContact O-N 3.08Å; L410-I412 VanDerWaalsContact C-N 3.32Å; I412-Y414 HydrophobicContact CB-CE2 3.83Å; I412-Y414 HydrophobicContact CG2-CD1 4.39Å; I412-Y414 HydrophobicContact CG2-CD2 4.46Å; I412-Y414 HydrophobicContact CG2-CE1 3.64Å; I412-Y414 HydrophobicContact CG2-CE2 3.76Å; I412-Y414 WeakPolarHBondContact CG2-OH 3.45Å; I412-Y414 VanDerWaalsContact O-CD2 3.31Å; I412-Y414 WeakPolarHBondContact O-CD2 3.35Å; I412-Y414 WeakPolarHBondContact O-CE2 3.35Å; I412-F522 HydrophobicContact CG2-CD1 3.98Å; I412-F522 HydrophobicContact CG2-CE1 3.78Å
413A61.2Low77.2Confident24 Ų2433.9 Ų33.920%0.19816%0.163CC..  trans-80.7130.6178.200000109.6N411 Q526N411-A413 PolarHBondContact O-N 3.43Å; A413-Q526 PolarHBondContact O-NE2 3.13Å
414Y66.8Low77.4Confident12 Ų1235.5 Ų35.55%0.04717%0.171CC..  trans-118.7144.2174-58.6-75.1000109.1Q248 C252 I412 L495Q248-Y414 HydrophobicContact CB-CD2 4.17Å; Q248-Y414 PolarHBondContact NE2-O 3.4Å; Q248-Y414 VanDerWaalsContact NE2-O 3.12Å; Q248-Y414 PolarHBondContact OE1-O 2.89Å; C252-Y414 HydrophobicContact CB-CE2 4.26Å; C252-Y414 VanDerWaalsContact SG-CG 3.53Å; I412-Y414 HydrophobicContact CB-CE2 3.83Å; I412-Y414 HydrophobicContact CG2-CD1 4.39Å; I412-Y414 HydrophobicContact CG2-CD2 4.46Å; I412-Y414 HydrophobicContact CG2-CE1 3.64Å; I412-Y414 HydrophobicContact CG2-CE2 3.76Å; I412-Y414 WeakPolarHBondContact CG2-OH 3.45Å; I412-Y414 VanDerWaalsContact O-CD2 3.31Å; I412-Y414 WeakPolarHBondContact O-CD2 3.35Å; I412-Y414 WeakPolarHBondContact O-CE2 3.35Å; Y414-L495 HydrophobicContact CD1-CD1 3.96Å; Y414-L495 HydrophobicContact CE1-CD1 3.45Å; Y414-L495 VanDerWaalsContact CE1-CD1 3.45Å
415N70.3Confident77.8Confident63 Ų6340.9 Ų40.934%0.33719%0.193SC..  trans-90.3136171.7-179.69.2000109.7E417 E418 I419N415-E417 PolarHBondContact O-N 3.41Å; N415-E417 PolarHBondContact OD1-N 3.24Å; N415-E418 HydrophobicContact CB-CB 4.41Å; N415-E418 HydrophobicContact CB-CG 4.02Å; N415-E418 WeakPolarHBondContact O-CB 3.41Å; N415-E418 PolarHBondContact O-N 3.18Å; N415-I419 PolarHBondContact O-N 3.44Å; N415-I419 VanDerWaalsContact O-N 3.08Å
416D74Confident78.3Confident85 Ų8543.9 Ų43.946%0.45520%0.204SC..Hα-helixtrans-58.1-33.8179.8-62.9-20.2000112Q248 E418 I419 Y420Q248-D416 PolarHBondContact NE2-OD1 2.92Å; D416-E418 VanDerWaalsContact C-N 3.35Å; D416-E418 PolarHBondContact O-N 2.79Å; D416-I419 PolarHBondContact O-N 2.9Å; D416-Y420 WeakPolarHBondContact O-CB 3.38Å; D416-Y420 PolarHBondContact O-N 2.89Å
417E73.1Confident78.6Confident91 Ų9144 Ų4443%0.42521%0.205SC..Hα-helixtrans-63-39.7173.7-67.7-168.4178.900112.6N415 Y420 Y421 R584N415-E417 PolarHBondContact O-N 3.41Å; N415-E417 PolarHBondContact OD1-N 3.24Å; E417-Y420 PolarHBondContact O-N 2.94Å; E417-Y421 WeakPolarHBondContact O-CB 3.36Å; E417-Y421 PolarHBondContact O-N 3.26Å; E417-R584 IonicContact OE2-NH2 3.6Å; E417-R584 PolarHBondContact OE2-NH2 3.32Å
418E74.2Confident78.9Confident63 Ų6345.4 Ų45.429%0.29422%0.218SC..Hα-helixtrans-69.4-41.4179.3-66.8178.3150.600110.6N415 D416 Y420 Y421 L422N415-E418 HydrophobicContact CB-CB 4.41Å; N415-E418 HydrophobicContact CB-CG 4.02Å; N415-E418 WeakPolarHBondContact O-CB 3.41Å; N415-E418 PolarHBondContact O-N 3.18Å; D416-E418 VanDerWaalsContact C-N 3.35Å; D416-E418 PolarHBondContact O-N 2.79Å; E418-Y420 VanDerWaalsContact C-N 3.32Å; E418-Y420 PolarHBondContact O-N 2.93Å; E418-Y421 PolarHBondContact O-N 2.77Å; E418-L422 WeakPolarHBondContact O-CB 3.49Å; E418-L422 VanDerWaalsContact O-CG 3.26Å; E418-L422 WeakPolarHBondContact O-CG 3.32Å; E418-L422 PolarHBondContact O-N 2.94Å
419I80.9Confident79.1Confident2 Ų252.6 Ų52.61%0.0125%0.249CC..Hα-helixtrans-59.8-46.1174.2-61.8177.6000109.7Q248 Q251 L255 A297 N415 D416 L422 S423Q248-I419 HydrophobicContact CB-CD1 4.16Å; Q248-I419 HydrophobicContact CG-CD1 4.05Å; Q251-I419 HydrophobicContact CB-CD1 4.45Å; Q251-I419 HydrophobicContact CB-CG2 3.96Å; L255-I419 HydrophobicContact CD1-CG2 3.59Å; L255-I419 VanDerWaalsContact CD1-O 3.27Å; L255-I419 WeakPolarHBondContact CD1-O 3.09Å; A297-I419 HydrophobicContact CB-CG2 3.74Å; N415-I419 PolarHBondContact O-N 3.44Å; N415-I419 VanDerWaalsContact O-N 3.08Å; D416-I419 PolarHBondContact O-N 2.9Å; I419-L422 PolarHBondContact O-N 3.47Å; I419-S423 PolarHBondContact O-N 2.97Å
420Y84.2Confident78.6Confident78 Ų7855.6 Ų55.631%0.30627%0.267SS..Hα-helixtrans-65.5-40.5178.3-167.2-98000112.3A297 D416 E417 E418 S423 L424A297-Y420 HydrophobicContact CB-CD2 4.23Å; D416-Y420 WeakPolarHBondContact O-CB 3.38Å; D416-Y420 PolarHBondContact O-N 2.89Å; E417-Y420 PolarHBondContact O-N 2.94Å; E418-Y420 VanDerWaalsContact C-N 3.32Å; E418-Y420 PolarHBondContact O-N 2.93Å; Y420-S423 WeakPolarHBondContact O-CB 3.48Å; Y420-S423 PolarHBondContact O-N 2.68Å; Y420-L424 HydrophobicContact CD1-CD1 3.85Å; Y420-L424 HydrophobicContact CD1-CG 4.2Å; Y420-L424 HydrophobicContact CE1-CD1 3.66Å; Y420-L424 HydrophobicContact CE1-CD2 4.29Å; Y420-L424 HydrophobicContact CE1-CG 3.95Å; Y420-L424 PolarHBondContact O-N 2.81Å
421Y82.9Confident77.5Confident135 Ų13564.2 Ų64.253%0.52931%0.312SS..Hα-helixtrans-63.3-42.6174.9178.1-103.5000112.2E417 E418 S423 L424 K425E417-Y421 WeakPolarHBondContact O-CB 3.36Å; E417-Y421 PolarHBondContact O-N 3.26Å; E418-Y421 PolarHBondContact O-N 2.77Å; Y421-S423 VanDerWaalsContact C-N 3.29Å; Y421-S423 PolarHBondContact O-N 3.25Å; Y421-L424 PolarHBondContact O-N 3.03Å; Y421-K425 WeakPolarHBondContact O-CB 3.47Å; Y421-K425 PolarHBondContact O-N 3.13Å
422L82.7Confident76.5Confident33 Ų3371.6 Ų71.617%0.17335%0.351CS..Hα-helixtrans-60.4-41.4173.6-74.3171.8000111L255 E418 I419 K425 R426 L495L255-L422 HydrophobicContact CD1-CB 4.13Å; E418-L422 WeakPolarHBondContact O-CB 3.49Å; E418-L422 VanDerWaalsContact O-CG 3.26Å; E418-L422 WeakPolarHBondContact O-CG 3.32Å; E418-L422 PolarHBondContact O-N 2.94Å; I419-L422 PolarHBondContact O-N 3.47Å; L422-K425 WeakPolarHBondContact O-CB 3.48Å; L422-K425 PolarHBondContact O-N 2.87Å; L422-R426 WeakPolarHBondContact O-CG 3.47Å; L422-R426 PolarHBondContact O-N 3.33Å; L422-L495 HydrophobicContact CD1-CD1 4.18Å; L422-L495 HydrophobicContact CD1-CD2 4.16Å
423S89.1Confident75.7Confident0 Ų073.2 Ų73.20%036%0.358CS..Hα-helixtrans-58.1-48.1172.9176.20000112.5A297 R300 L301 I419 Y420 Y421 K425 R426 E427A297-S423 WeakPolarHBondContact O-CB 3.22Å; A297-S423 PolarHBondContact O-OG 3.1Å; R300-S423 VanDerWaalsContact CD-OG 3.29Å; R300-S423 WeakPolarHBondContact CD-OG 3.25Å; R300-S423 WeakPolarHBondContact CG-OG 3.43Å; R300-S423 VanDerWaalsContact NH1-C 3.26Å; R300-S423 PolarHBondContact NH1-O 2.56Å; R300-S423 PolarHBondContact NH1-OG 2.76Å; L301-S423 WeakPolarHBondContact CD2-OG 3.45Å; I419-S423 PolarHBondContact O-N 2.97Å; Y420-S423 WeakPolarHBondContact O-CB 3.48Å; Y420-S423 PolarHBondContact O-N 2.68Å; Y421-S423 VanDerWaalsContact C-N 3.29Å; Y421-S423 PolarHBondContact O-N 3.25Å; S423-K425 VanDerWaalsContact C-N 3.27Å; S423-K425 PolarHBondContact O-N 2.88Å; S423-R426 PolarHBondContact O-N 3.25Å; S423-R426 VanDerWaalsContact O-N 3.12Å; S423-E427 PolarHBondContact O-N 3.27Å
424L86.7Confident75.2Confident50 Ų5076.7 Ų76.726%0.26238%0.379SS..Hα-helixtrans-60.1-37.9175.9-71.9171.8000112.2Y420 Y421 R426 E427 P428 K429Y420-L424 HydrophobicContact CD1-CD1 3.85Å; Y420-L424 HydrophobicContact CD1-CG 4.2Å; Y420-L424 HydrophobicContact CE1-CD1 3.66Å; Y420-L424 HydrophobicContact CE1-CD2 4.29Å; Y420-L424 HydrophobicContact CE1-CG 3.95Å; Y420-L424 PolarHBondContact O-N 2.81Å; Y421-L424 PolarHBondContact O-N 3.03Å; L424-R426 VanDerWaalsContact C-N 3.34Å; L424-E427 CarbonylContact O-C 3.55Å; L424-E427 VanDerWaalsContact O-C 3.24Å; L424-P428 WeakPolarHBondContact O-CA 3.41Å; L424-P428 VanDerWaalsContact O-N 3.16Å; L424-K429 HydrophobicContact CD2-CD 4.49Å; L424-K429 HydrophobicContact CD2-CG 4.03Å
425K87.1Confident74.5Confident134 Ų13480.5 Ų80.558%0.58341%0.407SS*.Hα-helixtrans-66.6-34.3176.2-173.5177.5-179.7177.20112.3Y421 L422 S423Y421-K425 WeakPolarHBondContact O-CB 3.47Å; Y421-K425 PolarHBondContact O-N 3.13Å; L422-K425 WeakPolarHBondContact O-CB 3.48Å; L422-K425 PolarHBondContact O-N 2.87Å; S423-K425 VanDerWaalsContact C-N 3.27Å; S423-K425 PolarHBondContact O-N 2.88Å
426R89.1Confident73.7Confident66 Ų6680.5 Ų80.525%0.24941%0.406CS..Hα-helixtrans-74.8-42.9177.2-67.2-58.2178.7-129.3-2.1112.5L255 L422 S423 L424L255-R426 HydrophobicContact CD2-CG 4.25Å; L255-R426 PolarHBondContact O-NE 2.88Å; L255-R426 PolarHBondContact O-NH2 3.16Å; L255-R426 VanDerWaalsContact O-NH2 3.08Å; L422-R426 WeakPolarHBondContact O-CG 3.47Å; L422-R426 PolarHBondContact O-N 3.33Å; S423-R426 PolarHBondContact O-N 3.25Å; S423-R426 VanDerWaalsContact O-N 3.12Å; L424-R426 VanDerWaalsContact C-N 3.34Å
427E90.6Very high72.7Confident1 Ų184.5 Ų84.51%0.00542%0.422CS..SBendtrans-135.996.7177.5-66.1-171.6-156.200109.7R263 R300 L301 S302 R303 T304 S423 L424R263-E427 IonicContact CZ-OE1 3.9Å; R263-E427 IonicContact NE-OE1 2.97Å; R263-E427 IonicContact NH2-OE1 2.83Å; R263-E427 PolarHBondContact NH2-OE1 2.92Å; R300-E427 VanDerWaalsContact CZ-O 3.22Å; R300-E427 PolarHBondContact NH1-O 3.41Å; R300-E427 PolarHBondContact NH2-O 2.72Å; L301-E427 VanDerWaalsContact CA-OE2 3.28Å; L301-E427 WeakPolarHBondContact CA-OE2 3.4Å; L301-E427 HydrophobicContact CD2-CB 3.84Å; L301-E427 HydrophobicContact CD2-CG 3.84Å; S302-E427 PolarHBondContact N-OE2 2.9Å; S302-E427 VanDerWaalsContact N-OE2 3.11Å; R303-E427 WeakPolarHBondContact CB-OE2 3.24Å; R303-E427 PolarHBondContact N-OE2 3.2Å; T304-E427 PolarHBondContact N-OE1 3.27Å; T304-E427 PolarHBondContact OG1-OE1 3.42Å; T304-E427 VanDerWaalsContact OG1-OE1 3.06Å; S423-E427 PolarHBondContact O-N 3.27Å; L424-E427 CarbonylContact O-C 3.55Å; L424-E427 VanDerWaalsContact O-C 3.24Å
428P86.9Confident71.9Confident72 Ų7281.1 Ų81.147%0.46841%0.408SS..  trans-61.4152.3176.4-24.234.5000112.2L424 T430L424-P428 WeakPolarHBondContact O-CA 3.41Å; L424-P428 VanDerWaalsContact O-N 3.16Å; P428-T430 PolarHBondContact O-N 2.87Å
429K79Confident71.4Confident157 Ų15781.9 Ų81.968%0.68342%0.42SS*.  trans-64.2119175.5-66.7-175.4-179.7-177.90109.6L424L424-K429 HydrophobicContact CD2-CD 4.49Å; L424-K429 HydrophobicContact CD2-CG 4.03Å
430T68.7Low71Confident67 Ų6786.3 Ų86.341%0.41145%0.449SS..  trans-111145.7169.140.20000109.6P428 L432P428-T430 PolarHBondContact O-N 2.87Å; T430-L432 PolarHBondContact O-N 3.42Å
431L58Low70.6Confident185 Ų18583.1 Ų83.197%0.96944%0.438SS*.THydrogen-bonded Turntrans-58.9-10.1-173.7-70.3165.7000115.3
432L52.2Low70.2Confident164 Ų16482.2 Ų82.286%0.85944%0.441SS*.THydrogen-bonded Turntrans-129.553.8-173-69164.8000112.3T430 P434T430-L432 PolarHBondContact O-N 3.42Å; L432-P434 WeakPolarHBondContact O-CD 3.4Å
433Q52.9Low69.7Low56 Ų5681.7 Ų81.726%0.26244%0.442SS..  trans-96.1114.3171.4-79.2-172.9-41.600110.8S302 S435S302-Q433 WeakPolarHBondContact OG-CG 3.23Å; S302-Q433 PolarHBondContact OG-NE2 3.29Å; Q433-S435 PolarHBondContact O-N 2.96Å
434P50.4Low69Low97 Ų9785.2 Ų85.263%0.6346%0.461SS*.  trans-64.3119.9166.724.9-29.4000108.3L432 I436L432-P434 WeakPolarHBondContact O-CD 3.4Å; P434-I436 PolarHBondContact O-N 3.41Å; P434-I436 VanDerWaalsContact O-N 3.16Å
435S51Low68.3Low91 Ų9183.6 Ų83.664%0.63645%0.451SS*.  trans-75.7102.1175.260.20000108.8Q433 Q437Q433-S435 PolarHBondContact O-N 2.96Å; S435-Q437 PolarHBondContact O-N 2.98Å
436I53.3Low67.5Low63 Ų6377.2 Ų77.232%0.32342%0.423SS..  trans-74.188.2161.9-61.2154.6000105.3M305 R313 P434 T438M305-I436 HydrophobicContact CB-CD1 4.19Å; R313-I436 VanDerWaalsContact NH1-CD1 3.25Å; P434-I436 PolarHBondContact O-N 3.41Å; P434-I436 VanDerWaalsContact O-N 3.16Å; I436-T438 PolarHBondContact O-N 3.18Å; I436-T438 VanDerWaalsContact O-N 3.14Å
437Q54.3Low66.6Low169 Ų16977.8 Ų77.879%0.7944%0.442SS*.  trans-76.996.7179.6-74.9-176.6-22.100109.1S435S435-Q437 PolarHBondContact O-N 2.98Å
438T56.8Low65.3Low20 Ų2081.5 Ų81.512%0.12348%0.481CS..PPolyproline II helixtrans-73.8135155.346.50000107.8L317 I436L317-T438 HydrophobicContact CD2-CG2 3.77Å; L317-T438 HydrophobicContact CG-CG2 4.33Å; I436-T438 PolarHBondContact O-N 3.18Å; I436-T438 VanDerWaalsContact O-N 3.14Å
439S63.2Low64.2Low79 Ų7979.1 Ų79.155%0.55246%0.464SS*.PPolyproline II helixtrans-61.6125.1173.6-79.80000108.6S320 V441S320-S439 PolarHBondContact OG-O 2.62Å; S439-V441 PolarHBondContact O-N 2.96Å
440P73.1Confident63.5Low96 Ų9676.2 Ų76.262%0.62345%0.453SS*.PPolyproline II helixtrans-65.7129.3-175.125.8-32.9000110.1L442P440-L442 PolarHBondContact O-N 3.15Å
441V74.9Confident63.3Low11 Ų1174.2 Ų74.27%0.06744%0.44CS..  trans-85.5103.21701750000107.5M287 V290 T294 S320 L323 S439M287-V441 HydrophobicContact CE-CG1 3.29Å; M287-V441 HydrophobicContact SD-CG1 3.2Å; M287-V441 WeakPolarHBondContact SD-CG1 3.39Å; V290-V441 HydrophobicContact CG1-CB 4.32Å; V290-V441 HydrophobicContact CG1-CG2 3.88Å; T294-V441 PolarHBondContact OG1-N 3.32Å; S320-V441 WeakPolarHBondContact OG-CG2 3.34Å; L323-V441 HydrophobicContact CB-CG1 3.98Å; L323-V441 HydrophobicContact CB-CG2 4.35Å; L323-V441 HydrophobicContact CD1-CG1 4.43Å; S439-V441 PolarHBondContact O-N 2.96Å
442L74.6Confident63.3Low115 Ų11573.5 Ų73.560%0.60242%0.424SS*.  trans-98.8123.9-173.1-171.468.1000111.7M287 P440 D444M287-L442 WeakPolarHBondContact CE-O 3.15Å; P440-L442 PolarHBondContact O-N 3.15Å; L442-D444 HydrophobicContact CD2-CB 4.07Å; L442-D444 HydrophobicContact CG-CB 4.15Å
443A72.7Confident63.6Low22 Ų2267 Ų6718%0.18239%0.391CS..  trans-101.661.6170.700000110.7F243 M287 W445 A446F243-A443 HydrophobicContact CE1-CB 3.41Å; F243-A443 VanDerWaalsContact CE1-CB 3.41Å; F243-A443 HydrophobicContact CZ-CB 3.52Å; M287-A443 HydrophobicContact CE-CB 4.19Å; A443-W445 HydrophobicContact CB-CZ2 4.46Å; A443-W445 PolarHBondContact O-N 2.92Å; A443-A446 PolarHBondContact O-N 3.48Å
444D73Confident64.1Low74 Ų7469.6 Ų69.640%0.39641%0.407SS..G310 helixtrans-55.2-35.1-179.757-13.2000114K352 L442 A446 A447K352-D444 WeakPolarHBondContact CE-OD1 3.24Å; K352-D444 IonicContact NZ-OD1 2.73Å; K352-D444 PolarHBondContact NZ-OD1 3.25Å; K352-D444 IonicContact NZ-OD2 2.78Å; K352-D444 PolarHBondContact NZ-OD2 3.29Å; L442-D444 HydrophobicContact CD2-CB 4.07Å; L442-D444 HydrophobicContact CG-CB 4.15Å; D444-A446 PolarHBondContact O-N 3.29Å; D444-A446 VanDerWaalsContact O-N 3.15Å; D444-A447 VanDerWaalsContact O-CB 3.25Å; D444-A447 WeakPolarHBondContact O-CB 3.47Å; D444-A447 PolarHBondContact O-N 3.1Å; D444-A447 VanDerWaalsContact O-N 3.08Å
445W72.6Confident64.8Low16 Ų1668.4 Ų68.46%0.06140%0.401CS..G310 helixtrans-59-22.7175.658.9-92.4000114Y224 I240 F243 I346 G348 A443Y224-W445 PolarHBondContact OH-O 3.4Å; I240-W445 HydrophobicContact CB-CZ3 4.32Å; I240-W445 HydrophobicContact CG1-CE3 4.41Å; I240-W445 HydrophobicContact CG1-CZ3 3.94Å; I240-W445 HydrophobicContact CG2-CE3 4.22Å; I240-W445 HydrophobicContact CG2-CZ3 3.93Å; F243-W445 HydrophobicContact CB-CH2 4.33Å; F243-W445 AromaticContact CD1-CH2 3.98Å; F243-W445 HydrophobicContact CD1-CH2 3.98Å; F243-W445 HydrophobicContact CD1-CZ2 4.22Å; F243-W445 AromaticContact CD2-CH2 3.71Å; F243-W445 HydrophobicContact CD2-CH2 3.71Å; F243-W445 AromaticContact CD2-CZ2 3.92Å; F243-W445 HydrophobicContact CD2-CZ2 3.92Å; F243-W445 HydrophobicContact CE1-CH2 4.26Å; F243-W445 HydrophobicContact CE1-CZ2 4.02Å; F243-W445 AromaticContact CE2-CH2 3.96Å; F243-W445 HydrophobicContact CE2-CH2 3.96Å; F243-W445 AromaticContact CE2-CZ2 3.66Å; F243-W445 HydrophobicContact CE2-CZ2 3.66Å; F243-W445 AromaticContact CG-CH2 3.74Å; F243-W445 HydrophobicContact CG-CH2 3.74Å; F243-W445 HydrophobicContact CG-CZ2 4.21Å; F243-W445 HydrophobicContact CZ-CH2 4.25Å; F243-W445 AromaticContact CZ-CZ2 3.74Å; F243-W445 HydrophobicContact CZ-CZ2 3.74Å; I346-W445 HydrophobicContact CG2-CZ2 4.31Å; G348-W445 VanDerWaalsContact CA-CE2 3.5Å; G348-W445 VanDerWaalsContact CA-CG 3.42Å; A443-W445 HydrophobicContact CB-CZ2 4.46Å; A443-W445 PolarHBondContact O-N 2.92Å
446A71Confident65.7Low0 Ų067.7 Ų67.70%040%0.396CS..G310 helixtrans-92.1-5.8-179.800000112.9I240 F243 N244 A443 D444 G448 I449I240-A446 HydrophobicContact CG2-CB 3.74Å; F243-A446 HydrophobicContact CD1-CB 3.92Å; F243-A446 HydrophobicContact CE1-CB 4.13Å; N244-A446 PolarHBondContact ND2-O 3.33Å; N244-A446 WeakPolarHBondContact OD1-CB 3.19Å; A443-A446 PolarHBondContact O-N 3.48Å; D444-A446 PolarHBondContact O-N 3.29Å; D444-A446 VanDerWaalsContact O-N 3.15Å; A446-G448 PolarHBondContact O-N 2.81Å; A446-I449 PolarHBondContact O-N 2.72Å
447A69.1Low66.4Low79 Ų7967.1 Ų67.165%0.65340%0.395SS*.THydrogen-bonded Turntrans-59.5136.2-171.700000112.9D444 I449D444-A447 VanDerWaalsContact O-CB 3.25Å; D444-A447 WeakPolarHBondContact O-CB 3.47Å; D444-A447 PolarHBondContact O-N 3.1Å; D444-A447 VanDerWaalsContact O-N 3.08Å; A447-I449 VanDerWaalsContact C-N 3.31Å; A447-I449 PolarHBondContact O-N 3.4Å
448G63Low67.1Low79 Ų7959.6 Ų59.681%0.81436%0.36SS*.THydrogen-bonded Turntrans81.3-5.1174.100000116.2A446A446-G448 PolarHBondContact O-N 2.81Å
449I64Low68Low22 Ų2261.8 Ų61.811%0.11337%0.369CS..  trans-94.7114.2177.3-56.7-171.4000110.3R237 I240 A241 N244 A446 A447R237-I449 HydrophobicContact CG-CG2 4.02Å; I240-I449 HydrophobicContact CB-CD1 4.33Å; I240-I449 HydrophobicContact CB-CG2 4.38Å; I240-I449 HydrophobicContact CD1-CD1 3.87Å; I240-I449 HydrophobicContact CG2-CB 4.06Å; I240-I449 HydrophobicContact CG2-CD1 3.95Å; I240-I449 HydrophobicContact CG2-CG1 4.42Å; I240-I449 HydrophobicContact CG2-CG2 4.29Å; A241-I449 HydrophobicContact CB-CG2 4.15Å; N244-I449 PolarHBondContact ND2-O 2.78Å; A446-I449 PolarHBondContact O-N 2.72Å; A447-I449 VanDerWaalsContact C-N 3.31Å; A447-I449 PolarHBondContact O-N 3.4Å
450Q65.3Low68.7Low95 Ų9565.1 Ų65.144%0.44437%0.374SS..  trans-109.1155.4177.1-68.9-174.6-16.800112.3R452Q450-R452 PolarHBondContact O-N 3.39Å
451N63.6Low68.6Low26 Ų2662.2 Ų62.214%0.13935%0.352CS..  trans-74.2108-176.3-156.9-5.6000112.8A241 N411 V453 R523A241-N451 HydrophobicContact CB-CB 3.93Å; N411-N451 VanDerWaalsContact OD1-CG 3.28Å; N411-N451 PolarHBondContact OD1-ND2 3.32Å; N451-V453 VanDerWaalsContact OD1-CG2 3.27Å; N451-V453 WeakPolarHBondContact OD1-CG2 3.4Å; N451-R523 PolarHBondContact O-NH2 3.25Å
452R59.2Low68.6Low170 Ų17061.8 Ų61.864%0.64235%0.349SS*.  trans-103.267.2173.4-64.6-173.6178.5-168.8-2.5110.4D232 Q450D232-R452 IonicContact OD2-NH1 2.64Å; Q450-R452 PolarHBondContact O-N 3.39Å
453V58.4Low68.9Low28 Ų2858.9 Ų58.917%0.1733%0.334CS..  trans-67133.1169.3-176.80000110.4N411 N451 V457 M458 R523N411-V453 HydrophobicContact CB-CG2 4.48Å; N411-V453 WeakPolarHBondContact OD1-CG2 3.44Å; N451-V453 VanDerWaalsContact OD1-CG2 3.27Å; N451-V453 WeakPolarHBondContact OD1-CG2 3.4Å; V453-V457 HydrophobicContact CG1-CB 3.78Å; V453-V457 HydrophobicContact CG1-CG1 3.77Å; V453-M458 HydrophobicContact CG1-CB 4.24Å; V453-M458 HydrophobicContact CG1-CE 4.42Å; V453-R523 PolarHBondContact O-NH1 3.01Å; V453-R523 PolarHBondContact O-NH2 3.16Å
454D61.9Low69.1Low110 Ų11059.4 Ų59.459%0.58834%0.338SS*.  trans-57.1146.4172.9-87.5-35000112.9S456 V457 M458D454-S456 PolarHBondContact O-N 2.74Å; D454-V457 HydrophobicContact CB-CG2 4.3Å; D454-V457 PolarHBondContact O-N 2.89Å; D454-M458 PolarHBondContact O-N 3.24Å
455S66.4Low69.3Low72 Ų7255.9 Ų55.950%0.50332%0.319SS..Hα-helixtrans-57.2-35.3-179.6-166.20000112.3Q459S455-Q459 WeakPolarHBondContact O-CB 3.16Å; S455-Q459 PolarHBondContact O-N 3.08Å
456S69.1Low69.7Low75 Ų7555.1 Ų55.152%0.52432%0.316SS..Hα-helixtrans-70-41.9179.964.70000112.7D454 Q459 K460D454-S456 PolarHBondContact O-N 2.74Å; S456-Q459 PolarHBondContact O-N 3.39Å; S456-K460 WeakPolarHBondContact O-CG 3.28Å; S456-K460 PolarHBondContact O-N 3.06Å
457V69Low70.2Confident51 Ų5158.1 Ų58.131%0.30933%0.331SS..Hα-helixtrans-69.1-39.8176.5178.10000110.1V453 D454 K460 H461V453-V457 HydrophobicContact CG1-CB 3.78Å; V453-V457 HydrophobicContact CG1-CG1 3.77Å; D454-V457 HydrophobicContact CB-CG2 4.3Å; D454-V457 PolarHBondContact O-N 2.89Å; V457-K460 WeakPolarHBondContact O-CB 3.44Å; V457-K460 PolarHBondContact O-N 3.02Å; V457-H461 PolarHBondContact O-N 3.41Å; V457-H461 VanDerWaalsContact O-N 3.08Å
458M69.2Low70.5Confident12 Ų1254.6 Ų54.66%0.05930%0.301CS..Hα-helixtrans-63.7-44.7175.6-177.341.265.200111.6N411 V453 D454 K460 H461 V462 M520N411-M458 HydrophobicContact CB-CE 3.33Å; N411-M458 VanDerWaalsContact CG-CE 3.42Å; N411-M458 WeakPolarHBondContact ND2-CE 3.3Å; V453-M458 HydrophobicContact CG1-CB 4.24Å; V453-M458 HydrophobicContact CG1-CE 4.42Å; D454-M458 PolarHBondContact O-N 3.24Å; M458-K460 PolarHBondContact O-N 3.49Å; M458-H461 CarbonylContact O-C 3.58Å; M458-H461 PolarHBondContact O-N 3.4Å; M458-H461 HydrophobicContact SD-CB 4.28Å; M458-V462 HydrophobicContact CG-CG2 4.09Å; M458-V462 WeakPolarHBondContact O-CG2 3.45Å; M458-V462 PolarHBondContact O-N 3.35Å; M458-V462 HydrophobicContact SD-CG2 3.57Å; M458-V462 VanDerWaalsContact SD-CG2 3.57Å; M458-M520 HydrophobicContact CG-SD 4.3Å
459Q75.5Confident71.1Confident65 Ų6550.9 Ų50.930%0.30426%0.263SS..Hα-helixtrans-55.2-40175.6-17366.958.800111.7S455 S456 N463 M520S455-Q459 WeakPolarHBondContact O-CB 3.16Å; S455-Q459 PolarHBondContact O-N 3.08Å; S456-Q459 PolarHBondContact O-N 3.39Å; Q459-N463 PolarHBondContact NE2-OD1 2.82Å; Q459-N463 VanDerWaalsContact O-CB 3.24Å; Q459-N463 WeakPolarHBondContact O-CB 3.47Å; Q459-N463 PolarHBondContact O-N 3.35Å; Q459-N463 PolarHBondContact O-ND2 3.49Å; Q459-N463 PolarHBondContact O-OD1 2.83Å; Q459-M520 HydrophobicContact CB-CE 4.16Å; Q459-M520 HydrophobicContact CB-SD 4.43Å; Q459-M520 PolarHBondContact OE1-SD 2.92Å; Q459-M520 VanDerWaalsContact OE1-SD 3.4Å
460K76.4Confident72Confident150 Ų15050.2 Ų50.265%0.65226%0.259SS*.Hα-helixtrans-62.8-45.6175-69.5177.2-177.6179.10111.8S456 V457 M458 N463 A464S456-K460 WeakPolarHBondContact O-CG 3.28Å; S456-K460 PolarHBondContact O-N 3.06Å; V457-K460 WeakPolarHBondContact O-CB 3.44Å; V457-K460 PolarHBondContact O-N 3.02Å; M458-K460 PolarHBondContact O-N 3.49Å; K460-N463 PolarHBondContact O-N 2.96Å; K460-A464 WeakPolarHBondContact O-CB 3.32Å; K460-A464 PolarHBondContact O-N 3.07Å
461H72.1Confident72.6Confident35 Ų3554.5 Ų54.516%0.16227%0.271CS..Hα-helixtrans-66.8-43.8178.1-63.9160.2000112.5V408 V457 M458 N463 A464 M465V408-H461 HydrophobicContact CG2-CB 3.8Å; V408-H461 WeakPolarHBondContact CG2-O 3.48Å; V457-H461 PolarHBondContact O-N 3.41Å; V457-H461 VanDerWaalsContact O-N 3.08Å; M458-H461 CarbonylContact O-C 3.58Å; M458-H461 PolarHBondContact O-N 3.4Å; M458-H461 HydrophobicContact SD-CB 4.28Å; H461-N463 VanDerWaalsContact C-N 3.33Å; H461-N463 PolarHBondContact O-N 3.3Å; H461-A464 PolarHBondContact O-N 2.99Å; H461-M465 WeakPolarHBondContact O-CB 3.3Å; H461-M465 PolarHBondContact O-N 3.29Å
462V74.8Confident73Confident1 Ų155.5 Ų55.51%0.00628%0.275CS..Hα-helixtrans-60-46174.9173.20000110.1M458 A464 M465 V466 K516 F519 M520M458-V462 HydrophobicContact CG-CG2 4.09Å; M458-V462 WeakPolarHBondContact O-CG2 3.45Å; M458-V462 PolarHBondContact O-N 3.35Å; M458-V462 HydrophobicContact SD-CG2 3.57Å; M458-V462 VanDerWaalsContact SD-CG2 3.57Å; V462-A464 PolarHBondContact O-N 2.85Å; V462-M465 HydrophobicContact CG1-CE 4.26Å; V462-M465 PolarHBondContact O-N 3.38Å; V462-V466 HydrophobicContact CG1-CG2 4.11Å; V462-V466 WeakPolarHBondContact O-CB 3.08Å; V462-V466 VanDerWaalsContact O-CG2 3.28Å; V462-V466 WeakPolarHBondContact O-CG2 3.33Å; V462-V466 PolarHBondContact O-N 3.38Å; V462-K516 HydrophobicContact CG1-CB 4.43Å; V462-K516 HydrophobicContact CG1-CG 4.27Å; V462-F519 HydrophobicContact CG1-CB 3.8Å; V462-F519 HydrophobicContact CG2-CB 3.98Å; V462-M520 HydrophobicContact CB-SD 4.43Å; V462-M520 HydrophobicContact CG2-SD 4.02Å
463N81.5Confident73.7Confident54 Ų5448.1 Ų48.129%0.28925%0.247SC..Hα-helixtrans-59.1-51.4176.9-73.2-12.8000110.7Q459 K460 H461 M465 V466 E467 K516Q459-N463 PolarHBondContact NE2-OD1 2.82Å; Q459-N463 VanDerWaalsContact O-CB 3.24Å; Q459-N463 WeakPolarHBondContact O-CB 3.47Å; Q459-N463 PolarHBondContact O-N 3.35Å; Q459-N463 PolarHBondContact O-ND2 3.49Å; Q459-N463 PolarHBondContact O-OD1 2.83Å; K460-N463 PolarHBondContact O-N 2.96Å; H461-N463 VanDerWaalsContact C-N 3.33Å; H461-N463 PolarHBondContact O-N 3.3Å; N463-M465 VanDerWaalsContact C-N 3.33Å; N463-M465 PolarHBondContact O-N 2.77Å; N463-V466 PolarHBondContact O-N 3.37Å; N463-E467 VanDerWaalsContact O-CG 3.31Å; N463-E467 WeakPolarHBondContact O-CG 3.47Å; N463-E467 PolarHBondContact O-N 3.11Å; N463-K516 WeakPolarHBondContact OD1-CD 3.45Å; N463-K516 WeakPolarHBondContact OD1-CE 3.29Å
464A76.7Confident74.8Confident33 Ų3347.6 Ų47.627%0.27324%0.243SC..Hα-helixtrans-59.6-42.2-179.900000112.7N404 K460 H461 V462 A468N404-A464 HydrophobicContact CB-CB 4.15Å; K460-A464 WeakPolarHBondContact O-CB 3.32Å; K460-A464 PolarHBondContact O-N 3.07Å; H461-A464 PolarHBondContact O-N 2.99Å; V462-A464 PolarHBondContact O-N 2.85Å; A464-A468 WeakPolarHBondContact O-CB 3.16Å; A464-A468 PolarHBondContact O-N 2.95Å
465M76.6Confident75.4Confident0 Ų048.4 Ų48.40%025%0.247CC..Hα-helixtrans-67.6-45.2176.4169.6-144.861.400111.5V408 H461 V462 N463 E467 A468 V469 F493 F519V408-M465 HydrophobicContact CB-SD 3.72Å; V408-M465 HydrophobicContact CG1-CE 4.17Å; V408-M465 HydrophobicContact CG1-SD 3.6Å; V408-M465 VanDerWaalsContact CG1-SD 3.6Å; V408-M465 HydrophobicContact CG2-CB 3.81Å; V408-M465 HydrophobicContact CG2-CE 4.39Å; V408-M465 HydrophobicContact CG2-CG 4.32Å; V408-M465 HydrophobicContact CG2-SD 3.85Å; H461-M465 WeakPolarHBondContact O-CB 3.3Å; H461-M465 PolarHBondContact O-N 3.29Å; V462-M465 HydrophobicContact CG1-CE 4.26Å; V462-M465 PolarHBondContact O-N 3.38Å; N463-M465 VanDerWaalsContact C-N 3.33Å; N463-M465 PolarHBondContact O-N 2.77Å; M465-E467 VanDerWaalsContact C-N 3.33Å; M465-E467 PolarHBondContact O-N 2.5Å; M465-A468 CarbonylContact O-C 3.59Å; M465-A468 WeakPolarHBondContact O-CB 3.49Å; M465-A468 PolarHBondContact O-N 3.09Å; M465-A468 VanDerWaalsContact O-N 3.11Å; M465-V469 HydrophobicContact CG-CG2 4.28Å; M465-V469 WeakPolarHBondContact O-CG2 3.11Å; M465-V469 PolarHBondContact O-N 2.95Å; M465-F493 HydrophobicContact CG-CZ 4.42Å; M465-F493 HydrophobicContact SD-CE1 4.03Å; M465-F493 HydrophobicContact SD-CZ 3.82Å; M465-F519 HydrophobicContact CE-CB 4.48Å; M465-F519 HydrophobicContact CE-CD1 4.04Å; M465-F519 HydrophobicContact CE-CD2 3.31Å; M465-F519 HydrophobicContact CE-CE1 3.93Å; M465-F519 HydrophobicContact CE-CE2 3.23Å; M465-F519 HydrophobicContact CE-CG 3.72Å; M465-F519 HydrophobicContact CE-CZ 3.53Å; M465-F519 HydrophobicContact SD-CD1 4.4Å; M465-F519 HydrophobicContact SD-CD2 4.44Å; M465-F519 HydrophobicContact SD-CE1 3.85Å; M465-F519 HydrophobicContact SD-CE2 3.94Å; M465-F519 HydrophobicContact SD-CZ 3.57Å; M465-F519 VanDerWaalsContact SD-CZ 3.57Å
466V80.9Confident76Confident0 Ų049.6 Ų49.60%025%0.248CC..Hα-helixtrans-61.4-43.7177.5171.40000110.4V462 N463 A468 V469 F470 K512 M515 K516 F519V462-V466 HydrophobicContact CG1-CG2 4.11Å; V462-V466 WeakPolarHBondContact O-CB 3.08Å; V462-V466 VanDerWaalsContact O-CG2 3.28Å; V462-V466 WeakPolarHBondContact O-CG2 3.33Å; V462-V466 PolarHBondContact O-N 3.38Å; N463-V466 PolarHBondContact O-N 3.37Å; V466-A468 VanDerWaalsContact C-N 3.28Å; V466-A468 PolarHBondContact O-N 3.21Å; V466-V469 PolarHBondContact O-N 2.79Å; V466-F470 HydrophobicContact CG1-CD2 3.84Å; V466-F470 HydrophobicContact CG1-CE2 3.9Å; V466-F470 VanDerWaalsContact O-CD2 3.28Å; V466-F470 WeakPolarHBondContact O-CD2 3.37Å; V466-F470 PolarHBondContact O-N 3.17Å; V466-K512 HydrophobicContact CG1-CB 4.1Å; V466-K512 HydrophobicContact CG1-CG 4.1Å; V466-M515 HydrophobicContact CG2-CB 4.28Å; V466-M515 HydrophobicContact CG2-CG 3.92Å; V466-M515 HydrophobicContact CG2-SD 4.25Å; V466-K516 HydrophobicContact CB-CG 4.19Å; V466-K516 HydrophobicContact CG1-CG 4.18Å; V466-K516 HydrophobicContact CG2-CG 3.89Å; V466-F519 HydrophobicContact CG2-CD2 4.44Å
467E82.4Confident76.5Confident64 Ų6454.2 Ų54.230%0.29926%0.261SS..Hα-helixtrans-61.9-38175.2-64.5-46139.600111.8N463 M465 R471 K512 K516N463-E467 VanDerWaalsContact O-CG 3.31Å; N463-E467 WeakPolarHBondContact O-CG 3.47Å; N463-E467 PolarHBondContact O-N 3.11Å; M465-E467 VanDerWaalsContact C-N 3.33Å; M465-E467 PolarHBondContact O-N 2.5Å; E467-R471 VanDerWaalsContact O-CB 3.29Å; E467-R471 WeakPolarHBondContact O-CB 3.49Å; E467-R471 PolarHBondContact O-N 3.44Å; E467-K512 IonicContact OE2-NZ 3.69Å; E467-K512 PolarHBondContact OE2-NZ 3.49Å; E467-K516 IonicContact OE1-NZ 3.09Å; E467-K516 PolarHBondContact OE1-NZ 3.31Å
468A75.1Confident77.3Confident4 Ų454.5 Ų54.53%0.03326%0.261CS..Hα-helixtrans-67.2-43.5175.600000111.9L172 A464 M465 V466 R471 H472L172-A468 HydrophobicContact CD1-CB 3.86Å; L172-A468 WeakPolarHBondContact CD1-O 3.48Å; A464-A468 WeakPolarHBondContact O-CB 3.16Å; A464-A468 PolarHBondContact O-N 2.95Å; M465-A468 CarbonylContact O-C 3.59Å; M465-A468 WeakPolarHBondContact O-CB 3.49Å; M465-A468 PolarHBondContact O-N 3.09Å; M465-A468 VanDerWaalsContact O-N 3.11Å; V466-A468 VanDerWaalsContact C-N 3.28Å; V466-A468 PolarHBondContact O-N 3.21Å; A468-R471 WeakPolarHBondContact O-CB 3.23Å; A468-R471 PolarHBondContact O-N 2.86Å; A468-H472 PolarHBondContact O-N 3.31Å; A468-H472 VanDerWaalsContact O-N 3.1Å; A468-H472 PolarHBondContact O-ND1 3.31Å
469V74.5Confident78Confident2 Ų255.5 Ų55.51%0.01227%0.274CS..Hα-helixtrans-58.6-52.1178.6166.80000110.1L172 M465 V466 R471 H472 Y473 I481 I489 M515L172-V469 HydrophobicContact CD1-CG2 4.22Å; M465-V469 HydrophobicContact CG-CG2 4.28Å; M465-V469 WeakPolarHBondContact O-CG2 3.11Å; M465-V469 PolarHBondContact O-N 2.95Å; V466-V469 PolarHBondContact O-N 2.79Å; V469-R471 VanDerWaalsContact C-N 3.29Å; V469-R471 PolarHBondContact O-N 2.82Å; V469-H472 PolarHBondContact O-N 3.33Å; V469-H472 VanDerWaalsContact O-N 3.13Å; V469-Y473 HydrophobicContact CG1-CD2 4.13Å; V469-Y473 WeakPolarHBondContact O-CB 3.35Å; V469-Y473 WeakPolarHBondContact O-CD2 3.31Å; V469-Y473 PolarHBondContact O-N 3.47Å; V469-I481 HydrophobicContact CG1-CD1 4.32Å; V469-I489 HydrophobicContact CG1-CD1 3.42Å; V469-I489 VanDerWaalsContact CG1-CD1 3.42Å; V469-I489 HydrophobicContact CG1-CG1 4.04Å; V469-I489 HydrophobicContact CG1-CG2 4.48Å; V469-M515 HydrophobicContact CB-SD 4.45Å; V469-M515 HydrophobicContact CG1-CE 4.23Å; V469-M515 HydrophobicContact CG1-SD 3.95Å
470F82.9Confident78.6Confident7 Ų757 Ų573%0.03128%0.277CS..Hα-helixtrans-60.6-42.1177.4-83.7-103.6000110.9V466 H472 D474 G479 I481 I510 K512 M515V466-F470 HydrophobicContact CG1-CD2 3.84Å; V466-F470 HydrophobicContact CG1-CE2 3.9Å; V466-F470 VanDerWaalsContact O-CD2 3.28Å; V466-F470 WeakPolarHBondContact O-CD2 3.37Å; V466-F470 PolarHBondContact O-N 3.17Å; F470-H472 PolarHBondContact O-N 3.45Å; F470-H472 VanDerWaalsContact O-N 3.15Å; F470-D474 HydrophobicContact CB-CB 4.5Å; F470-D474 HydrophobicContact CD1-CB 4.27Å; F470-D474 WeakPolarHBondContact O-CB 3.3Å; F470-D474 PolarHBondContact O-N 2.99Å; F470-D474 VanDerWaalsContact O-N 3.08Å; F470-G479 WeakPolarHBondContact CE1-O 3.44Å; F470-I481 HydrophobicContact CD1-CG1 4.37Å; F470-I481 HydrophobicContact CD2-CG1 4.3Å; F470-I481 HydrophobicContact CE1-CG1 3.91Å; F470-I481 HydrophobicContact CE2-CG1 3.86Å; F470-I481 HydrophobicContact CZ-CG1 3.65Å; F470-I510 WeakPolarHBondContact CZ-O 3.44Å; F470-K512 HydrophobicContact CD1-CD 4.33Å; F470-K512 HydrophobicContact CD1-CG 3.69Å; F470-K512 HydrophobicContact CD2-CG 3.67Å; F470-K512 HydrophobicContact CE1-CG 3.6Å; F470-K512 HydrophobicContact CE2-CB 4.26Å; F470-K512 HydrophobicContact CE2-CG 3.58Å; F470-K512 HydrophobicContact CG-CD 4.25Å; F470-K512 HydrophobicContact CG-CG 3.72Å; F470-K512 HydrophobicContact CZ-CB 4.2Å; F470-K512 HydrophobicContact CZ-CG 3.53Å; F470-K512 VanDerWaalsContact CZ-N 3.31Å; F470-M515 HydrophobicContact CE2-SD 4.07Å
471R79.2Confident78.8Confident186 Ų18649.8 Ų49.870%0.70225%0.246SC*.Hα-helixtrans-59-30.5177.6-171.1-175.7-62.2167.1-0.4114.3E467 A468 V469E467-R471 VanDerWaalsContact O-CB 3.29Å; E467-R471 WeakPolarHBondContact O-CB 3.49Å; E467-R471 PolarHBondContact O-N 3.44Å; A468-R471 WeakPolarHBondContact O-CB 3.23Å; A468-R471 PolarHBondContact O-N 2.86Å; V469-R471 VanDerWaalsContact C-N 3.29Å; V469-R471 PolarHBondContact O-N 2.82Å
472H70.2Confident79.3Confident47 Ų4750 Ų5022%0.21825%0.252CS..Hα-helixtrans-102.2-26.3-175.3-67.280.3000114.1V170 L172 A468 V469 F470V170-H472 PolarHBondContact O-CD2 3.36Å; V170-H472 PolarHBondContact O-NE2 3.27Å; L172-H472 HydrophobicContact CD1-CB 3.99Å; L172-H472 WeakPolarHBondContact CD1-ND1 3.24Å; L172-H472 HydrophobicContact CG-CB 4.29Å; A468-H472 PolarHBondContact O-N 3.31Å; A468-H472 VanDerWaalsContact O-N 3.1Å; A468-H472 PolarHBondContact O-ND1 3.31Å; V469-H472 PolarHBondContact O-N 3.33Å; V469-H472 VanDerWaalsContact O-N 3.13Å; F470-H472 PolarHBondContact O-N 3.45Å; F470-H472 VanDerWaalsContact O-N 3.15Å
473Y74.2Confident79.5Confident15 Ų1556.1 Ų56.16%0.05928%0.278CS..Hα-helixtrans-119.5-13.7-169.9-67.8-74.3000114.9L172 S173 V469 L475 E485 L488 I489 N492L172-Y473 HydrophobicContact CB-CD2 4.35Å; L172-Y473 HydrophobicContact CB-CE2 3.4Å; L172-Y473 VanDerWaalsContact CB-CE2 3.4Å; L172-Y473 HydrophobicContact CD1-CD2 4.49Å; L172-Y473 HydrophobicContact CD1-CE2 4.24Å; L172-Y473 HydrophobicContact CG-CE2 4.44Å; L172-Y473 PolarHBondContact O-OH 2.81Å; S173-Y473 WeakPolarHBondContact CA-OH 3.29Å; S173-Y473 WeakPolarHBondContact CB-OH 3.45Å; S173-Y473 PolarHBondContact N-OH 2.89Å; V469-Y473 HydrophobicContact CG1-CD2 4.13Å; V469-Y473 WeakPolarHBondContact O-CB 3.35Å; V469-Y473 WeakPolarHBondContact O-CD2 3.31Å; V469-Y473 PolarHBondContact O-N 3.47Å; Y473-L475 PolarHBondContact O-N 3.43Å; Y473-E485 WeakPolarHBondContact O-CB 3.35Å; Y473-E485 WeakPolarHBondContact O-CG 3.4Å; Y473-E485 VanDerWaalsContact O-OE1 3.09Å; Y473-L488 HydrophobicContact CD1-CB 3.97Å; Y473-L488 HydrophobicContact CD1-CD1 4.47Å; Y473-L488 HydrophobicContact CE1-CB 3.75Å; Y473-L488 PolarHBondContact OH-O 3.43Å; Y473-I489 HydrophobicContact CD1-CG1 4.01Å; Y473-I489 HydrophobicContact CD2-CD1 4.04Å; Y473-I489 HydrophobicContact CD2-CG1 3.47Å; Y473-I489 VanDerWaalsContact CD2-CG1 3.47Å; Y473-I489 HydrophobicContact CE1-CG1 4.27Å; Y473-I489 HydrophobicContact CE2-CG1 3.69Å; Y473-I489 HydrophobicContact CG-CD1 4.01Å; Y473-I489 HydrophobicContact CG-CG1 3.59Å; Y473-N492 PolarHBondContact OH-ND2 3.09Å; Y473-N492 VanDerWaalsContact OH-ND2 3.12Å
474D81.2Confident79.3Confident16 Ų1661.3 Ų61.39%0.08630%0.301CS..  trans-77.480.1167.4-176.1-5.8000107.1F470 N476 Q477 D478 G479 I481F470-D474 HydrophobicContact CB-CB 4.5Å; F470-D474 HydrophobicContact CD1-CB 4.27Å; F470-D474 WeakPolarHBondContact O-CB 3.3Å; F470-D474 PolarHBondContact O-N 2.99Å; F470-D474 VanDerWaalsContact O-N 3.08Å; D474-N476 VanDerWaalsContact C-N 3.27Å; D474-N476 PolarHBondContact O-N 3.42Å; D474-N476 PolarHBondContact OD1-OD1 2.97Å; D474-Q477 PolarHBondContact O-N 3.14Å; D474-Q477 WeakPolarHBondContact OD1-CA 3.2Å; D474-Q477 PolarHBondContact OD1-N 3.12Å; D474-D478 PolarHBondContact OD1-N 3.43Å; D474-G479 WeakPolarHBondContact OD2-CA 3.29Å; D474-G479 PolarHBondContact OD2-N 2.87Å; D474-I481 HydrophobicContact CB-CD1 4.42Å
475L75.3Confident79.4Confident127 Ų12760.4 Ų60.467%0.66529%0.291SS*.THydrogen-bonded Turntrans-68.6-32.4-169.4-67.8174000111.2Y473 E485Y473-L475 PolarHBondContact O-N 3.43Å; L475-E485 HydrophobicContact CD1-CG 4.38Å; L475-E485 HydrophobicContact CG-CG 4.49Å; L475-E485 PolarHBondContact N-OE1 2.87Å
476N79.5Confident79.5Confident97 Ų9760.4 Ų60.452%0.51929%0.291SS..THydrogen-bonded Turntrans-90.6-3.6177.465.5-12.5000113.1D474 D478D474-N476 VanDerWaalsContact C-N 3.27Å; D474-N476 PolarHBondContact O-N 3.42Å; D474-N476 PolarHBondContact OD1-OD1 2.97Å; N476-D478 VanDerWaalsContact ND2-CG 3.31Å; N476-D478 PolarHBondContact ND2-OD2 2.84Å; N476-D478 VanDerWaalsContact ND2-OD2 3.13Å; N476-D478 PolarHBondContact O-N 3.26Å; N476-D478 PolarHBondContact OD1-N 3.27Å
477Q80.3Confident78.9Confident172 Ų17264.9 Ų64.980%0.80432%0.315SS*.  trans54.732.9179.9-59.1-177.38.100113.3D474 G479D474-Q477 PolarHBondContact O-N 3.14Å; D474-Q477 WeakPolarHBondContact OD1-CA 3.2Å; D474-Q477 PolarHBondContact OD1-N 3.12Å; Q477-G479 PolarHBondContact O-N 3.24Å
478D84.7Confident78.3Confident58 Ų5866.3 Ų66.331%0.3132%0.324SS..SBendtrans-83-4.1-178.581-2.6000112.6D474 N476 Y480 K509D474-D478 PolarHBondContact OD1-N 3.43Å; N476-D478 VanDerWaalsContact ND2-CG 3.31Å; N476-D478 PolarHBondContact ND2-OD2 2.84Å; N476-D478 VanDerWaalsContact ND2-OD2 3.13Å; N476-D478 PolarHBondContact O-N 3.26Å; N476-D478 PolarHBondContact OD1-N 3.27Å; D478-Y480 VanDerWaalsContact C-N 3.33Å; D478-Y480 VanDerWaalsContact O-CD2 3.29Å; D478-Y480 WeakPolarHBondContact O-CD2 3.44Å; D478-Y480 WeakPolarHBondContact OD1-CA 3.25Å; D478-Y480 VanDerWaalsContact OD1-CB 3.3Å; D478-Y480 WeakPolarHBondContact OD1-CB 3.02Å; D478-Y480 PolarHBondContact OD1-N 3.37Å; D478-K509 IonicContact OD2-NZ 3.65Å; D478-K509 PolarHBondContact OD2-NZ 3.35Å
479G83.7Confident77.9Confident32 Ų3266.2 Ų66.233%0.3332%0.323SS..SBendtrans848.8-178.700000113.6F470 D474 Q477F470-G479 WeakPolarHBondContact CE1-O 3.44Å; D474-G479 WeakPolarHBondContact OD2-CA 3.29Å; D474-G479 PolarHBondContact OD2-N 2.87Å; Q477-G479 PolarHBondContact O-N 3.24Å
480Y87.8Confident77.6Confident96 Ų9670 Ų7038%0.37634%0.337SS..EExtended strand (participates in β ladder)trans-129.4157.2177.7-60-92.4000111.4D478 K509D478-Y480 VanDerWaalsContact C-N 3.33Å; D478-Y480 VanDerWaalsContact O-CD2 3.29Å; D478-Y480 WeakPolarHBondContact O-CD2 3.44Å; D478-Y480 WeakPolarHBondContact OD1-CA 3.25Å; D478-Y480 VanDerWaalsContact OD1-CB 3.3Å; D478-Y480 WeakPolarHBondContact OD1-CB 3.02Å; D478-Y480 PolarHBondContact OD1-N 3.37Å; Y480-K509 HydrophobicContact CD1-CB 4.02Å; Y480-K509 HydrophobicContact CD1-CD 4.44Å; Y480-K509 HydrophobicContact CD2-CD 4.45Å; Y480-K509 HydrophobicContact CG-CB 4.23Å; Y480-K509 HydrophobicContact CG-CD 4.03Å
481I81.9Confident76.5Confident0 Ų070.8 Ų70.80%034%0.343CS..EExtended strand (participates in β ladder)trans-104.6117170.5-65.8-73.2000107.8V469 F470 D474 E485 F486 I489 I510V469-I481 HydrophobicContact CG1-CD1 4.32Å; F470-I481 HydrophobicContact CD1-CG1 4.37Å; F470-I481 HydrophobicContact CD2-CG1 4.3Å; F470-I481 HydrophobicContact CE1-CG1 3.91Å; F470-I481 HydrophobicContact CE2-CG1 3.86Å; F470-I481 HydrophobicContact CZ-CG1 3.65Å; D474-I481 HydrophobicContact CB-CD1 4.42Å; I481-E485 HydrophobicContact CG2-CB 4Å; I481-F486 HydrophobicContact CG2-CB 3.86Å; I481-F486 HydrophobicContact CG2-CD2 4.48Å; I481-I489 HydrophobicContact CD1-CD1 3.82Å; I481-I489 HydrophobicContact CG1-CD1 4.28Å; I481-I489 HydrophobicContact CG2-CD1 3.89Å; I481-I510 HydrophobicContact CB-CB 4.25Å; I481-I510 PolarHBondContact N-O 3.27Å; I481-I510 PolarHBondContact O-N 2.76Å
482S82.8Confident75.3Confident39 Ų3962 Ų6227%0.27331%0.31SS..  trans-71.6167.8171.870.30000111.7Q484 E485 F486S482-Q484 VanDerWaalsContact C-N 3.29Å; S482-Q484 PolarHBondContact O-N 3.39Å; S482-E485 VanDerWaalsContact CB-OE2 3.22Å; S482-E485 WeakPolarHBondContact CB-OE2 3.11Å; S482-E485 PolarHBondContact N-OE2 3.25Å; S482-E485 PolarHBondContact O-N 3.13Å; S482-E485 VanDerWaalsContact OG-CD 3.26Å; S482-E485 WeakPolarHBondContact OG-CG 3.2Å; S482-E485 PolarHBondContact OG-N 3.09Å; S482-E485 PolarHBondContact OG-OE2 3.01Å; S482-F486 WeakPolarHBondContact O-CB 3.4Å; S482-F486 PolarHBondContact O-N 3.01Å
483K78.9Confident74.8Confident130 Ų13059.9 Ų59.957%0.56530%0.3SS*.Hα-helixtrans-60-36.8177.2-169.2177.1178-175.40113.4F486 D487 F499K483-F486 PolarHBondContact O-N 3.06Å; K483-D487 PolarHBondContact O-N 3.37Å; K483-D487 VanDerWaalsContact O-N 3.15Å; K483-F499 VanDerWaalsContact CA-CE2 3.41Å; K483-F499 HydrophobicContact CB-CD2 4.11Å; K483-F499 HydrophobicContact CB-CE2 3.92Å; K483-F499 HydrophobicContact CB-CZ 4.16Å; K483-F499 HydrophobicContact CG-CD2 4.04Å; K483-F499 HydrophobicContact CG-CE2 4.37Å; K483-F499 HydrophobicContact CG-CG 4.15Å
484Q76Confident73.8Confident163 Ų16359.2 Ų59.276%0.76230%0.298SS*.Hα-helixtrans-69.7-43.2179-68.5179.8-300111.3S482 F486 D487S482-Q484 VanDerWaalsContact C-N 3.29Å; S482-Q484 PolarHBondContact O-N 3.39Å; Q484-F486 VanDerWaalsContact C-N 3.31Å; Q484-F486 PolarHBondContact O-N 3.48Å; Q484-D487 PolarHBondContact O-N 2.91Å
485E80.4Confident72.4Confident13 Ų1361.2 Ų61.26%0.06131%0.308CS..Hα-helixtrans-65.9-37.1175.5-67.5161146.600111.2Y473 L475 I481 S482 D487 L488 I489Y473-E485 WeakPolarHBondContact O-CB 3.35Å; Y473-E485 WeakPolarHBondContact O-CG 3.4Å; Y473-E485 VanDerWaalsContact O-OE1 3.09Å; L475-E485 HydrophobicContact CD1-CG 4.38Å; L475-E485 HydrophobicContact CG-CG 4.49Å; L475-E485 PolarHBondContact N-OE1 2.87Å; I481-E485 HydrophobicContact CG2-CB 4Å; S482-E485 VanDerWaalsContact CB-OE2 3.22Å; S482-E485 WeakPolarHBondContact CB-OE2 3.11Å; S482-E485 PolarHBondContact N-OE2 3.25Å; S482-E485 PolarHBondContact O-N 3.13Å; S482-E485 VanDerWaalsContact OG-CD 3.26Å; S482-E485 WeakPolarHBondContact OG-CG 3.2Å; S482-E485 PolarHBondContact OG-N 3.09Å; S482-E485 PolarHBondContact OG-OE2 3.01Å; E485-D487 VanDerWaalsContact C-N 3.33Å; E485-D487 PolarHBondContact O-N 2.85Å; E485-L488 WeakPolarHBondContact O-CB 3.49Å; E485-L488 PolarHBondContact O-N 3.36Å; E485-L488 VanDerWaalsContact O-N 3.16Å; E485-I489 PolarHBondContact O-N 3.26Å
486F76.8Confident71.6Confident1 Ų155.6 Ų55.60%0.00428%0.278CS..Hα-helixtrans-60.9-39.6175.3-176.3-99.1000112.9I481 S482 K483 Q484 L488 I489 R490 F496 F499 L502 I510I481-F486 HydrophobicContact CG2-CB 3.86Å; I481-F486 HydrophobicContact CG2-CD2 4.48Å; S482-F486 WeakPolarHBondContact O-CB 3.4Å; S482-F486 PolarHBondContact O-N 3.01Å; K483-F486 PolarHBondContact O-N 3.06Å; Q484-F486 VanDerWaalsContact C-N 3.31Å; Q484-F486 PolarHBondContact O-N 3.48Å; F486-L488 PolarHBondContact O-N 2.92Å; F486-I489 WeakPolarHBondContact O-CB 3.37Å; F486-I489 PolarHBondContact O-N 3.3Å; F486-R490 HydrophobicContact CE1-CB 4.32Å; F486-R490 WeakPolarHBondContact O-CB 3.36Å; F486-R490 PolarHBondContact O-N 3.46Å; F486-F496 AromaticContact CE2-CD1 3.83Å; F486-F496 HydrophobicContact CE2-CD1 3.83Å; F486-F496 AromaticContact CE2-CE1 3.68Å; F486-F496 HydrophobicContact CE2-CE1 3.68Å; F486-F496 AromaticContact CZ-CD1 3.55Å; F486-F496 HydrophobicContact CZ-CD1 3.55Å; F486-F496 AromaticContact CZ-CE1 3.88Å; F486-F496 HydrophobicContact CZ-CE1 3.88Å; F486-F499 HydrophobicContact CB-CD2 3.65Å; F486-F499 HydrophobicContact CB-CE2 3.9Å; F486-F499 HydrophobicContact CD1-CB 4.1Å; F486-F499 AromaticContact CD1-CD2 3.73Å; F486-F499 HydrophobicContact CD1-CD2 3.73Å; F486-F499 HydrophobicContact CD1-CG 4.43Å; F486-F499 HydrophobicContact CD2-CD2 4.27Å; F486-F499 HydrophobicContact CE1-CB 4.14Å; F486-F499 HydrophobicContact CE1-CD2 4.41Å; F486-F499 AromaticContact CG-CD2 3.62Å; F486-F499 HydrophobicContact CG-CD2 3.62Å; F486-F499 HydrophobicContact CG-CE2 4.24Å; F486-L502 HydrophobicContact CE2-CD1 4.13Å; F486-L502 HydrophobicContact CE2-CD2 3.82Å; F486-L502 HydrophobicContact CE2-CG 4.42Å; F486-L502 HydrophobicContact CZ-CD1 3.85Å; F486-L502 HydrophobicContact CZ-CD2 4.39Å; F486-I510 HydrophobicContact CD2-CD1 3.43Å; F486-I510 VanDerWaalsContact CD2-CD1 3.43Å; F486-I510 HydrophobicContact CE2-CD1 3.72Å; F486-I510 HydrophobicContact CG-CD1 4.04Å
487D70.2Confident70.5Confident94 Ų9453.3 Ų53.350%0.50327%0.266SS..Hα-helixtrans-65-27.4178.5-75.2-29.2000112K483 Q484 E485K483-D487 PolarHBondContact O-N 3.37Å; K483-D487 VanDerWaalsContact O-N 3.15Å; Q484-D487 PolarHBondContact O-N 2.91Å; E485-D487 VanDerWaalsContact C-N 3.33Å; E485-D487 PolarHBondContact O-N 2.85Å
488L68.4Low69.7Low94 Ų9454.4 Ų54.449%0.49226%0.263SS..Hα-helixtrans-72.9-26.7171.7-58.6171.9000113.3Y473 E485 F486 S491Y473-L488 HydrophobicContact CD1-CB 3.97Å; Y473-L488 HydrophobicContact CD1-CD1 4.47Å; Y473-L488 HydrophobicContact CE1-CB 3.75Å; Y473-L488 PolarHBondContact OH-O 3.43Å; E485-L488 WeakPolarHBondContact O-CB 3.49Å; E485-L488 PolarHBondContact O-N 3.36Å; E485-L488 VanDerWaalsContact O-N 3.16Å; F486-L488 PolarHBondContact O-N 2.92Å; L488-S491 PolarHBondContact O-OG 2.93Å
489I68Low68.7Low1 Ų152.5 Ų52.51%0.00525%0.252CS..Hα-helixtrans-83.2-37.5176.8-63.2159.3000110.7V469 Y473 I481 E485 F486 S491 N492 F493 M515V469-I489 HydrophobicContact CG1-CD1 3.42Å; V469-I489 VanDerWaalsContact CG1-CD1 3.42Å; V469-I489 HydrophobicContact CG1-CG1 4.04Å; V469-I489 HydrophobicContact CG1-CG2 4.48Å; Y473-I489 HydrophobicContact CD1-CG1 4.01Å; Y473-I489 HydrophobicContact CD2-CD1 4.04Å; Y473-I489 HydrophobicContact CD2-CG1 3.47Å; Y473-I489 VanDerWaalsContact CD2-CG1 3.47Å; Y473-I489 HydrophobicContact CE1-CG1 4.27Å; Y473-I489 HydrophobicContact CE2-CG1 3.69Å; Y473-I489 HydrophobicContact CG-CD1 4.01Å; Y473-I489 HydrophobicContact CG-CG1 3.59Å; I481-I489 HydrophobicContact CD1-CD1 3.82Å; I481-I489 HydrophobicContact CG1-CD1 4.28Å; I481-I489 HydrophobicContact CG2-CD1 3.89Å; E485-I489 PolarHBondContact O-N 3.26Å; F486-I489 WeakPolarHBondContact O-CB 3.37Å; F486-I489 PolarHBondContact O-N 3.3Å; I489-S491 PolarHBondContact O-N 3.38Å; I489-S491 VanDerWaalsContact O-N 3.16Å; I489-N492 WeakPolarHBondContact O-CB 3.48Å; I489-N492 PolarHBondContact O-N 3.32Å; I489-N492 PolarHBondContact O-ND2 3.47Å; I489-F493 HydrophobicContact CG2-CD2 4.08Å; I489-F493 HydrophobicContact CG2-CE2 3.83Å; I489-M515 HydrophobicContact CD1-CE 4.44Å
490R66.5Low67.5Low83 Ų8356.4 Ų56.431%0.31326%0.264SS..Hα-helixtrans-60.3-26.4-173.9-178-177.9161.978.415.8113F486 N492 F496 D497F486-R490 HydrophobicContact CE1-CB 4.32Å; F486-R490 WeakPolarHBondContact O-CB 3.36Å; F486-R490 PolarHBondContact O-N 3.46Å; R490-N492 PolarHBondContact O-N 3.33Å; R490-F496 HydrophobicContact CG-CB 4.39Å; R490-F496 PolarHBondContact NH1-O 2.73Å; R490-D497 PolarHBondContact NH1-O 3.21Å
491S60.9Low66.6Low22 Ų2255 Ų5515%0.15427%0.265CS..THydrogen-bonded Turntrans-63.6-20.217654.30000113.5D175 L488 I489D175-S491 VanDerWaalsContact OD2-CB 3.27Å; D175-S491 WeakPolarHBondContact OD2-CB 3.35Å; L488-S491 PolarHBondContact O-OG 2.93Å; I489-S491 PolarHBondContact O-N 3.38Å; I489-S491 VanDerWaalsContact O-N 3.16Å
492N54.2Low66Low3 Ų355 Ų552%0.01627%0.265CS..THydrogen-bonded Turntrans-93.2-20.1-169.5-48.3-29.1000113.9L172 S173 F174 Y473 I489 R490L172-N492 VanDerWaalsContact O-CG 3.29Å; L172-N492 PolarHBondContact O-ND2 2.92Å; S173-N492 WeakPolarHBondContact CA-ND2 3.38Å; S173-N492 WeakPolarHBondContact CA-OD1 3.44Å; S173-N492 PolarHBondContact OG-OD1 3.45Å; F174-N492 HydrophobicContact CB-CB 4.28Å; F174-N492 PolarHBondContact N-OD1 3.38Å; Y473-N492 PolarHBondContact OH-ND2 3.09Å; Y473-N492 VanDerWaalsContact OH-ND2 3.12Å; I489-N492 WeakPolarHBondContact O-CB 3.48Å; I489-N492 PolarHBondContact O-N 3.32Å; I489-N492 PolarHBondContact O-ND2 3.47Å; R490-N492 PolarHBondContact O-N 3.33Å
493F60.2Low65.7Low2 Ų253.6 Ų53.61%0.00926%0.255CS..SBendtrans-118.7109.1-174.2-61.1-81.7000109.3T405 A409 M465 I489 L495 F496 F519T405-F493 HydrophobicContact CG2-CE1 3.97Å; T405-F493 HydrophobicContact CG2-CZ 3.64Å; A409-F493 HydrophobicContact CB-CD1 4.42Å; A409-F493 HydrophobicContact CB-CE1 4.42Å; M465-F493 HydrophobicContact CG-CZ 4.42Å; M465-F493 HydrophobicContact SD-CE1 4.03Å; M465-F493 HydrophobicContact SD-CZ 3.82Å; I489-F493 HydrophobicContact CG2-CD2 4.08Å; I489-F493 HydrophobicContact CG2-CE2 3.83Å; F493-L495 PolarHBondContact O-N 3Å; F493-F496 HydrophobicContact CB-CB 4.22Å; F493-F496 HydrophobicContact CB-CD2 3.26Å; F493-F496 HydrophobicContact CB-CE2 3.79Å; F493-F496 HydrophobicContact CB-CG 3.87Å; F493-F496 HydrophobicContact CD1-CE2 4.41Å; F493-F496 HydrophobicContact CD2-CD2 4.34Å; F493-F496 HydrophobicContact CD2-CE2 4.17Å; F493-F496 HydrophobicContact CD2-CZ 4.49Å; F493-F496 AromaticContact CG-CD2 3.89Å; F493-F496 HydrophobicContact CG-CD2 3.89Å; F493-F496 AromaticContact CG-CE2 3.88Å; F493-F496 HydrophobicContact CG-CE2 3.88Å; F493-F496 PolarHBondContact O-N 3.35Å; F493-F519 HydrophobicContact CD1-CE1 4.28Å; F493-F519 HydrophobicContact CD1-CZ 4.5Å; F493-F519 HydrophobicContact CE1-CE1 4.17Å; F493-F519 HydrophobicContact CE1-CZ 4.21Å; F493-F519 HydrophobicContact CE2-CZ 4.36Å; F493-F519 HydrophobicContact CZ-CZ 4.12Å
494P52.7Low65.5Low1 Ų150.9 Ų50.91%0.00625%0.252CS..THydrogen-bonded Turntrans-53.7137.6172.1-18.728.3000109.9C252 M253 N256 F496C252-P494 HydrophobicContact CB-CB 3.58Å; C252-P494 HydrophobicContact CB-CG 3.96Å; M253-P494 HydrophobicContact CB-CG 4.34Å; M253-P494 HydrophobicContact CG-CG 3.67Å; M253-P494 VanDerWaalsContact SD-CD 3.5Å; M253-P494 HydrophobicContact SD-CG 3.41Å; M253-P494 WeakPolarHBondContact SD-CG 3.4Å; N256-P494 HydrophobicContact CB-CB 4.38Å; P494-F496 PolarHBondContact O-N 3Å; P494-F496 VanDerWaalsContact O-N 3.13Å
495L51.8Low65.7Low57 Ų5747.3 Ų47.330%0.29824%0.238SC..THydrogen-bonded Turntrans6319.9172-56.5163.2000114.9N256 Y414 L422 F493 D497N256-L495 PolarHBondContact OD1-N 3.13Å; Y414-L495 HydrophobicContact CD1-CD1 3.96Å; Y414-L495 HydrophobicContact CE1-CD1 3.45Å; Y414-L495 VanDerWaalsContact CE1-CD1 3.45Å; L422-L495 HydrophobicContact CD1-CD1 4.18Å; L422-L495 HydrophobicContact CD1-CD2 4.16Å; F493-L495 PolarHBondContact O-N 3Å; L495-D497 PolarHBondContact O-N 3.41Å
496F58.6Low65.7Low10 Ų1056.2 Ų56.24%0.04427%0.271CS..PPolyproline II helixtrans-54.2129166.5-126.4-122.5000109.9F486 R490 F493 P494 L502 Y518 F519F486-F496 AromaticContact CE2-CD1 3.83Å; F486-F496 HydrophobicContact CE2-CD1 3.83Å; F486-F496 AromaticContact CE2-CE1 3.68Å; F486-F496 HydrophobicContact CE2-CE1 3.68Å; F486-F496 AromaticContact CZ-CD1 3.55Å; F486-F496 HydrophobicContact CZ-CD1 3.55Å; F486-F496 AromaticContact CZ-CE1 3.88Å; F486-F496 HydrophobicContact CZ-CE1 3.88Å; R490-F496 HydrophobicContact CG-CB 4.39Å; R490-F496 PolarHBondContact NH1-O 2.73Å; F493-F496 HydrophobicContact CB-CB 4.22Å; F493-F496 HydrophobicContact CB-CD2 3.26Å; F493-F496 HydrophobicContact CB-CE2 3.79Å; F493-F496 HydrophobicContact CB-CG 3.87Å; F493-F496 HydrophobicContact CD1-CE2 4.41Å; F493-F496 HydrophobicContact CD2-CD2 4.34Å; F493-F496 HydrophobicContact CD2-CE2 4.17Å; F493-F496 HydrophobicContact CD2-CZ 4.49Å; F493-F496 AromaticContact CG-CD2 3.89Å; F493-F496 HydrophobicContact CG-CD2 3.89Å; F493-F496 AromaticContact CG-CE2 3.88Å; F493-F496 HydrophobicContact CG-CE2 3.88Å; F493-F496 PolarHBondContact O-N 3.35Å; P494-F496 PolarHBondContact O-N 3Å; P494-F496 VanDerWaalsContact O-N 3.13Å; F496-L502 HydrophobicContact CD1-CD1 4.42Å; F496-L502 HydrophobicContact CE1-CD1 4.27Å; F496-L502 HydrophobicContact CE1-CD2 3.74Å; F496-L502 HydrophobicContact CZ-CD2 4.19Å; F496-Y518 HydrophobicContact CD2-CE1 4Å; F496-Y518 HydrophobicContact CE1-CE1 4.08Å; F496-Y518 HydrophobicContact CE2-CD1 4.26Å; F496-Y518 AromaticContact CE2-CE1 3.5Å; F496-Y518 HydrophobicContact CE2-CE1 3.5Å; F496-Y518 VanDerWaalsContact CE2-CE1 3.5Å; F496-Y518 HydrophobicContact CG-CE1 4.48Å; F496-Y518 AromaticContact CZ-CD1 3.92Å; F496-Y518 HydrophobicContact CZ-CD1 3.92Å; F496-Y518 AromaticContact CZ-CE1 3.5Å; F496-Y518 HydrophobicContact CZ-CE1 3.5Å; F496-Y518 VanDerWaalsContact CZ-CE1 3.5Å; F496-F519 HydrophobicContact CE1-CZ 4.38Å; F496-F519 HydrophobicContact CE2-CD1 4.23Å; F496-F519 AromaticContact CE2-CE1 3.33Å; F496-F519 HydrophobicContact CE2-CE1 3.33Å; F496-F519 HydrophobicContact CE2-CE2 4.17Å; F496-F519 AromaticContact CE2-CZ 3.31Å; F496-F519 HydrophobicContact CE2-CZ 3.31Å; F496-F519 HydrophobicContact CZ-CD2 4.48Å; F496-F519 AromaticContact CZ-CE1 3.67Å; F496-F519 HydrophobicContact CZ-CE1 3.67Å; F496-F519 AromaticContact CZ-CE2 3.59Å; F496-F519 HydrophobicContact CZ-CE2 3.59Å; F496-F519 AromaticContact CZ-CZ 3.13Å; F496-F519 HydrophobicContact CZ-CZ 3.13Å
497D56.4Low66.1Low49 Ų4960.2 Ų60.226%0.26229%0.293SS..PPolyproline II helixtrans-65.2162.9178.2-91.7-40.5000110.3R490 L495 T501 Y518 R585R490-D497 PolarHBondContact NH1-O 3.21Å; L495-D497 PolarHBondContact O-N 3.41Å; D497-T501 HydrophobicContact CB-CG2 3.85Å; D497-Y518 HydrophobicContact CB-CE2 3.86Å; D497-Y518 PolarHBondContact N-OH 3.19Å; D497-R585 IonicContact OD2-NH1 3.75Å
498R62.1Low66.7Low194 Ų19457.6 Ų57.673%0.73229%0.288SS*.PPolyproline II helixtrans-60.9150.3178.5-69-179.8170.2177.1-3.8109.6I500 T501R498-I500 PolarHBondContact O-N 3.11Å; R498-T501 WeakPolarHBondContact O-CA 3.47Å; R498-T501 VanDerWaalsContact O-CB 3.27Å; R498-T501 WeakPolarHBondContact O-CB 3.45Å; R498-T501 PolarHBondContact O-N 2.85Å; R498-T501 PolarHBondContact O-OG1 2.83Å
499F64.3Low67.5Low19 Ų1957.3 Ų57.38%0.08328%0.283CS..Hα-helixtrans-39-46.1177.6-175.1-88.6000113.4K483 F486 T501 L502 D503 G508 I510K483-F499 VanDerWaalsContact CA-CE2 3.41Å; K483-F499 HydrophobicContact CB-CD2 4.11Å; K483-F499 HydrophobicContact CB-CE2 3.92Å; K483-F499 HydrophobicContact CB-CZ 4.16Å; K483-F499 HydrophobicContact CG-CD2 4.04Å; K483-F499 HydrophobicContact CG-CE2 4.37Å; K483-F499 HydrophobicContact CG-CG 4.15Å; F486-F499 HydrophobicContact CB-CD2 3.65Å; F486-F499 HydrophobicContact CB-CE2 3.9Å; F486-F499 HydrophobicContact CD1-CB 4.1Å; F486-F499 AromaticContact CD1-CD2 3.73Å; F486-F499 HydrophobicContact CD1-CD2 3.73Å; F486-F499 HydrophobicContact CD1-CG 4.43Å; F486-F499 HydrophobicContact CD2-CD2 4.27Å; F486-F499 HydrophobicContact CE1-CB 4.14Å; F486-F499 HydrophobicContact CE1-CD2 4.41Å; F486-F499 AromaticContact CG-CD2 3.62Å; F486-F499 HydrophobicContact CG-CD2 3.62Å; F486-F499 HydrophobicContact CG-CE2 4.24Å; F499-T501 PolarHBondContact O-N 3.12Å; F499-L502 PolarHBondContact O-N 3.09Å; F499-D503 HydrophobicContact CD1-CB 4.06Å; F499-D503 HydrophobicContact CE1-CB 3.79Å; F499-D503 HydrophobicContact CZ-CB 4.49Å; F499-D503 WeakPolarHBondContact O-CB 3.33Å; F499-D503 PolarHBondContact O-N 3.3Å; F499-G508 WeakPolarHBondContact CZ-O 3.25Å; F499-I510 HydrophobicContact CD2-CD1 3.53Å; F499-I510 HydrophobicContact CD2-CG1 4.27Å; F499-I510 HydrophobicContact CE1-CG1 4.49Å; F499-I510 HydrophobicContact CE2-CD1 3.38Å; F499-I510 HydrophobicContact CE2-CG1 3.69Å; F499-I510 HydrophobicContact CG-CD1 4.27Å; F499-I510 HydrophobicContact CZ-CD1 4.02Å; F499-I510 HydrophobicContact CZ-CG1 3.83Å
500I58.7Low68.2Low114 Ų11457.3 Ų57.359%0.58528%0.283SS*.Hα-helixtrans-57.4-20.9179.5-60.8163.8000113.9R498R498-I500 PolarHBondContact O-N 3.11Å
501T68.4Low69.2Low65 Ų6554.4 Ų54.440%0.39928%0.275SS..Hα-helixtrans-87.6-25.3-179-30.80000111.6D497 R498 F499D497-T501 HydrophobicContact CB-CG2 3.85Å; R498-T501 WeakPolarHBondContact O-CA 3.47Å; R498-T501 VanDerWaalsContact O-CB 3.27Å; R498-T501 WeakPolarHBondContact O-CB 3.45Å; R498-T501 PolarHBondContact O-N 2.85Å; R498-T501 PolarHBondContact O-OG1 2.83Å; F499-T501 PolarHBondContact O-N 3.12Å
502L70.7Confident70.4Confident0 Ų056.8 Ų56.80%028%0.283CS..Hα-helixtrans-87.6-44.3174.2-79.187.7000110.9F486 F496 F499 S504 I510 E514 M515 Y518F486-L502 HydrophobicContact CE2-CD1 4.13Å; F486-L502 HydrophobicContact CE2-CD2 3.82Å; F486-L502 HydrophobicContact CE2-CG 4.42Å; F486-L502 HydrophobicContact CZ-CD1 3.85Å; F486-L502 HydrophobicContact CZ-CD2 4.39Å; F496-L502 HydrophobicContact CD1-CD1 4.42Å; F496-L502 HydrophobicContact CE1-CD1 4.27Å; F496-L502 HydrophobicContact CE1-CD2 3.74Å; F496-L502 HydrophobicContact CZ-CD2 4.19Å; F499-L502 PolarHBondContact O-N 3.09Å; L502-S504 PolarHBondContact O-N 3.13Å; L502-S504 PolarHBondContact O-OG 3.46Å; L502-I510 HydrophobicContact CB-CD1 3.75Å; L502-I510 HydrophobicContact CB-CG1 4.2Å; L502-I510 HydrophobicContact CB-CG2 4.5Å; L502-I510 HydrophobicContact CD2-CD1 4.42Å; L502-E514 WeakPolarHBondContact O-CB 3.36Å; L502-M515 HydrophobicContact CD2-CE 4.38Å; L502-Y518 HydrophobicContact CD1-CD1 4.24Å; L502-Y518 HydrophobicContact CD1-CD2 3.76Å; L502-Y518 HydrophobicContact CD1-CE1 4.14Å; L502-Y518 HydrophobicContact CD1-CE2 3.63Å; L502-Y518 HydrophobicContact CD1-CG 4.05Å; L502-Y518 HydrophobicContact CD2-CD1 3.73Å; L502-Y518 HydrophobicContact CD2-CD2 4.33Å; L502-Y518 HydrophobicContact CD2-CE1 4.25Å; L502-Y518 HydrophobicContact CD2-CG 3.77Å; L502-Y518 HydrophobicContact CG-CD1 3.9Å; L502-Y518 HydrophobicContact CG-CD2 3.57Å; L502-Y518 HydrophobicContact CG-CE1 4.31Å; L502-Y518 HydrophobicContact CG-CE2 4Å; L502-Y518 HydrophobicContact CG-CG 3.5Å
503D76.7Confident71.9Confident10 Ų1065.7 Ų65.75%0.05332%0.316CS..  trans-67.381.7172.1178.87.2000109.5F499 N505 R506 D507 G508 I510F499-D503 HydrophobicContact CD1-CB 4.06Å; F499-D503 HydrophobicContact CE1-CB 3.79Å; F499-D503 HydrophobicContact CZ-CB 4.49Å; F499-D503 WeakPolarHBondContact O-CB 3.33Å; F499-D503 PolarHBondContact O-N 3.3Å; D503-N505 PolarHBondContact OD1-OD1 2.9Å; D503-R506 VanDerWaalsContact CG-CA 3.49Å; D503-R506 PolarHBondContact O-N 3.15Å; D503-R506 WeakPolarHBondContact OD1-CA 3.37Å; D503-R506 PolarHBondContact OD1-N 3.08Å; D503-R506 WeakPolarHBondContact OD2-CA 3.27Å; D503-D507 PolarHBondContact OD1-N 3Å; D503-G508 WeakPolarHBondContact OD2-CA 3.45Å; D503-G508 PolarHBondContact OD2-N 3.08Å; D503-I510 HydrophobicContact CB-CG1 4.23Å
504S72.7Confident73.1Confident73 Ų7366.2 Ų66.251%0.5132%0.319SS..SBendtrans-78.5-30.2-169.5-63.90000111.2L502 E514L502-S504 PolarHBondContact O-N 3.13Å; L502-S504 PolarHBondContact O-OG 3.46Å; S504-E514 PolarHBondContact N-OE1 3.25Å; S504-E514 VanDerWaalsContact N-OE1 3.1Å
505N81.8Confident74.5Confident89 Ų8966.1 Ų66.148%0.47632%0.318SS..SBendtrans-85.6-11.3175.363.417000112.6D503 D507 E514D503-N505 PolarHBondContact OD1-OD1 2.9Å; N505-D507 VanDerWaalsContact C-N 3.3Å; N505-D507 VanDerWaalsContact CG-OD2 3.31Å; N505-D507 PolarHBondContact ND2-OD2 3.09Å; N505-D507 WeakPolarHBondContact OD1-CB 3.33Å; N505-D507 PolarHBondContact OD1-N 3.44Å; N505-D507 PolarHBondContact OD1-OD1 3.04Å; N505-D507 PolarHBondContact OD1-OD2 3.29Å; N505-E514 PolarHBondContact N-OE1 3.37Å; N505-E514 PolarHBondContact ND2-OE1 3.23Å; N505-E514 PolarHBondContact OD1-OE1 3.32Å
506R79.7Confident76Confident200 Ų20065.8 Ų65.876%0.75532%0.315SS*.  trans61.334.1-178.4-58.5-174.8179.1177.31.7113.4D503 G508D503-R506 VanDerWaalsContact CG-CA 3.49Å; D503-R506 PolarHBondContact O-N 3.15Å; D503-R506 WeakPolarHBondContact OD1-CA 3.37Å; D503-R506 PolarHBondContact OD1-N 3.08Å; D503-R506 WeakPolarHBondContact OD2-CA 3.27Å; R506-G508 VanDerWaalsContact C-N 3.25Å
507D85.1Confident76.8Confident84 Ų8468.3 Ų68.345%0.44933%0.328SS..SBendtrans-83.6-1.6177.971.118.6000113.2D503 N505 K509D503-D507 PolarHBondContact OD1-N 3Å; N505-D507 VanDerWaalsContact C-N 3.3Å; N505-D507 VanDerWaalsContact CG-OD2 3.31Å; N505-D507 PolarHBondContact ND2-OD2 3.09Å; N505-D507 WeakPolarHBondContact OD1-CB 3.33Å; N505-D507 PolarHBondContact OD1-N 3.44Å; N505-D507 PolarHBondContact OD1-OD1 3.04Å; N505-D507 PolarHBondContact OD1-OD2 3.29Å; D507-K509 VanDerWaalsContact C-N 3.27Å; D507-K509 WeakPolarHBondContact OD1-CA 3.22Å; D507-K509 WeakPolarHBondContact OD1-CB 3.35Å; D507-K509 PolarHBondContact OD1-N 3.26Å
508G81.9Confident77.7Confident40 Ų4066.8 Ų66.841%0.41232%0.318SS..SBendtrans81.74.317900000113.7F499 D503 R506F499-G508 WeakPolarHBondContact CZ-O 3.25Å; D503-G508 WeakPolarHBondContact OD2-CA 3.45Å; D503-G508 PolarHBondContact OD2-N 3.08Å; R506-G508 VanDerWaalsContact C-N 3.25Å
509K86.7Confident78.1Confident88 Ų8858.4 Ų58.438%0.38329%0.287SS..SBendtrans-129.3156.1176.6-64.4-168.5176-160.50109.3D478 Y480 D507D478-K509 IonicContact OD2-NZ 3.65Å; D478-K509 PolarHBondContact OD2-NZ 3.35Å; Y480-K509 HydrophobicContact CD1-CB 4.02Å; Y480-K509 HydrophobicContact CD1-CD 4.44Å; Y480-K509 HydrophobicContact CD2-CD 4.45Å; Y480-K509 HydrophobicContact CG-CB 4.23Å; Y480-K509 HydrophobicContact CG-CD 4.03Å; D507-K509 VanDerWaalsContact C-N 3.27Å; D507-K509 WeakPolarHBondContact OD1-CA 3.22Å; D507-K509 WeakPolarHBondContact OD1-CB 3.35Å; D507-K509 PolarHBondContact OD1-N 3.26Å
510I82.4Confident78.5Confident0 Ų059.4 Ų59.40%029%0.293CS..EExtended strand (participates in β ladder)trans-112.8116.7175.7-64.1167.8000108.6F470 I481 F486 F499 L502 D503 E514 M515F470-I510 WeakPolarHBondContact CZ-O 3.44Å; I481-I510 HydrophobicContact CB-CB 4.25Å; I481-I510 PolarHBondContact N-O 3.27Å; I481-I510 PolarHBondContact O-N 2.76Å; F486-I510 HydrophobicContact CD2-CD1 3.43Å; F486-I510 VanDerWaalsContact CD2-CD1 3.43Å; F486-I510 HydrophobicContact CE2-CD1 3.72Å; F486-I510 HydrophobicContact CG-CD1 4.04Å; F499-I510 HydrophobicContact CD2-CD1 3.53Å; F499-I510 HydrophobicContact CD2-CG1 4.27Å; F499-I510 HydrophobicContact CE1-CG1 4.49Å; F499-I510 HydrophobicContact CE2-CD1 3.38Å; F499-I510 HydrophobicContact CE2-CG1 3.69Å; F499-I510 HydrophobicContact CG-CD1 4.27Å; F499-I510 HydrophobicContact CZ-CD1 4.02Å; F499-I510 HydrophobicContact CZ-CG1 3.83Å; L502-I510 HydrophobicContact CB-CD1 3.75Å; L502-I510 HydrophobicContact CB-CG1 4.2Å; L502-I510 HydrophobicContact CB-CG2 4.5Å; L502-I510 HydrophobicContact CD2-CD1 4.42Å; D503-I510 HydrophobicContact CB-CG1 4.23Å; I510-E514 HydrophobicContact CG2-CB 4.3Å; I510-M515 HydrophobicContact CG2-CB 4.1Å
511S88Confident78.7Confident22 Ų2261.9 Ų61.915%0.15430%0.295CS..EExtended strand (participates in β ladder)trans-77.8158.817467.10000112.4R513 E514 M515S511-R513 PolarHBondContact O-N 3.09Å; S511-R513 VanDerWaalsContact O-N 3.16Å; S511-E514 WeakPolarHBondContact CB-OE2 3.31Å; S511-E514 PolarHBondContact N-OE2 2.79Å; S511-E514 PolarHBondContact O-N 3.24Å; S511-E514 WeakPolarHBondContact OG-CB 3.41Å; S511-E514 WeakPolarHBondContact OG-CG 3.46Å; S511-E514 PolarHBondContact OG-N 2.9Å; S511-E514 VanDerWaalsContact OG-N 3.14Å; S511-E514 PolarHBondContact OG-OE2 2.9Å; S511-M515 PolarHBondContact O-N 2.95Å
512K85.9Confident78Confident72 Ų7261.3 Ų61.331%0.31329%0.287SS..Hα-helixtrans-53.1-36.5170.9-73.1-174.1-178.8-1760112.1V466 E467 F470 K516V466-K512 HydrophobicContact CG1-CB 4.1Å; V466-K512 HydrophobicContact CG1-CG 4.1Å; E467-K512 IonicContact OE2-NZ 3.69Å; E467-K512 PolarHBondContact OE2-NZ 3.49Å; F470-K512 HydrophobicContact CD1-CD 4.33Å; F470-K512 HydrophobicContact CD1-CG 3.69Å; F470-K512 HydrophobicContact CD2-CG 3.67Å; F470-K512 HydrophobicContact CE1-CG 3.6Å; F470-K512 HydrophobicContact CE2-CB 4.26Å; F470-K512 HydrophobicContact CE2-CG 3.58Å; F470-K512 HydrophobicContact CG-CD 4.25Å; F470-K512 HydrophobicContact CG-CG 3.72Å; F470-K512 HydrophobicContact CZ-CB 4.2Å; F470-K512 HydrophobicContact CZ-CG 3.53Å; F470-K512 VanDerWaalsContact CZ-N 3.31Å; K512-K516 WeakPolarHBondContact O-CB 3.48Å; K512-K516 WeakPolarHBondContact O-CG 3.39Å; K512-K516 PolarHBondContact O-N 2.69Å
513R85.3Confident76.8Confident190 Ų19063.7 Ų63.772%0.71730%0.296SS*.Hα-helixtrans-68.1-46.4-178.9-175.9176.4178.5150.2-0.9111.1S511 M515 K516 I517S511-R513 PolarHBondContact O-N 3.09Å; S511-R513 VanDerWaalsContact O-N 3.16Å; R513-M515 VanDerWaalsContact C-N 3.34Å; R513-K516 PolarHBondContact O-N 3.22Å; R513-I517 HydrophobicContact CG-CD1 3.88Å; R513-I517 WeakPolarHBondContact O-CB 3.42Å; R513-I517 VanDerWaalsContact O-CG1 3.27Å; R513-I517 WeakPolarHBondContact O-CG1 3.34Å; R513-I517 PolarHBondContact O-N 3.1Å
514E84.5Confident74.9Confident13 Ų1366.8 Ų66.86%0.06132%0.317CS..Hα-helixtrans-62-43.5177.2-77.1165134.600111.8L502 S504 N505 I510 S511 I517 Y518L502-E514 WeakPolarHBondContact O-CB 3.36Å; S504-E514 PolarHBondContact N-OE1 3.25Å; S504-E514 VanDerWaalsContact N-OE1 3.1Å; N505-E514 PolarHBondContact N-OE1 3.37Å; N505-E514 PolarHBondContact ND2-OE1 3.23Å; N505-E514 PolarHBondContact OD1-OE1 3.32Å; I510-E514 HydrophobicContact CG2-CB 4.3Å; S511-E514 WeakPolarHBondContact CB-OE2 3.31Å; S511-E514 PolarHBondContact N-OE2 2.79Å; S511-E514 PolarHBondContact O-N 3.24Å; S511-E514 WeakPolarHBondContact OG-CB 3.41Å; S511-E514 WeakPolarHBondContact OG-CG 3.46Å; S511-E514 PolarHBondContact OG-N 2.9Å; S511-E514 VanDerWaalsContact OG-N 3.14Å; S511-E514 PolarHBondContact OG-OE2 2.9Å; E514-I517 PolarHBondContact O-N 3.48Å; E514-Y518 WeakPolarHBondContact O-CB 3.43Å; E514-Y518 PolarHBondContact O-N 3.24Å
515M83Confident73.3Confident0 Ų065.1 Ų65.10%031%0.308CS..Hα-helixtrans-63.2-45.3176.6-166.4171.3-101.500111.3V466 V469 F470 I489 L502 I510 S511 R513 I517 Y518 F519V466-M515 HydrophobicContact CG2-CB 4.28Å; V466-M515 HydrophobicContact CG2-CG 3.92Å; V466-M515 HydrophobicContact CG2-SD 4.25Å; V469-M515 HydrophobicContact CB-SD 4.45Å; V469-M515 HydrophobicContact CG1-CE 4.23Å; V469-M515 HydrophobicContact CG1-SD 3.95Å; F470-M515 HydrophobicContact CE2-SD 4.07Å; I489-M515 HydrophobicContact CD1-CE 4.44Å; L502-M515 HydrophobicContact CD2-CE 4.38Å; I510-M515 HydrophobicContact CG2-CB 4.1Å; S511-M515 PolarHBondContact O-N 2.95Å; R513-M515 VanDerWaalsContact C-N 3.34Å; M515-I517 VanDerWaalsContact C-N 3.35Å; M515-I517 PolarHBondContact O-N 3.39Å; M515-Y518 PolarHBondContact O-N 3.41Å; M515-F519 HydrophobicContact CG-CD2 3.74Å; M515-F519 HydrophobicContact CG-CE2 3.56Å; M515-F519 VanDerWaalsContact O-CD2 3.23Å; M515-F519 WeakPolarHBondContact O-CD2 3.29Å; M515-F519 PolarHBondContact O-N 3.24Å; M515-F519 HydrophobicContact SD-CE2 4.13Å
516K82.4Confident71.4Confident50 Ų5063.3 Ų63.322%0.21730%0.297CS..Hα-helixtrans-56.9-47.1173.7-75.3170-175.5172.80111.3V462 N463 V466 E467 K512 R513 Y518 F519 M520V462-K516 HydrophobicContact CG1-CB 4.43Å; V462-K516 HydrophobicContact CG1-CG 4.27Å; N463-K516 WeakPolarHBondContact OD1-CD 3.45Å; N463-K516 WeakPolarHBondContact OD1-CE 3.29Å; V466-K516 HydrophobicContact CB-CG 4.19Å; V466-K516 HydrophobicContact CG1-CG 4.18Å; V466-K516 HydrophobicContact CG2-CG 3.89Å; E467-K516 IonicContact OE1-NZ 3.09Å; E467-K516 PolarHBondContact OE1-NZ 3.31Å; K512-K516 WeakPolarHBondContact O-CB 3.48Å; K512-K516 WeakPolarHBondContact O-CG 3.39Å; K512-K516 PolarHBondContact O-N 2.69Å; R513-K516 PolarHBondContact O-N 3.22Å; K516-Y518 PolarHBondContact O-N 3.19Å; K516-F519 PolarHBondContact O-N 2.89Å; K516-M520 WeakPolarHBondContact O-CB 3.35Å; K516-M520 WeakPolarHBondContact O-CG 3.48Å; K516-M520 PolarHBondContact O-N 3.14Å
517I76.8Confident69.3Low62 Ų6260.7 Ų60.732%0.31829%0.287SS..Hα-helixtrans-62-44.3178.8-72.4168.4000110.9R513 E514 M515 M520 R521R513-I517 HydrophobicContact CG-CD1 3.88Å; R513-I517 WeakPolarHBondContact O-CB 3.42Å; R513-I517 VanDerWaalsContact O-CG1 3.27Å; R513-I517 WeakPolarHBondContact O-CG1 3.34Å; R513-I517 PolarHBondContact O-N 3.1Å; E514-I517 PolarHBondContact O-N 3.48Å; M515-I517 VanDerWaalsContact C-N 3.35Å; M515-I517 PolarHBondContact O-N 3.39Å; I517-M520 PolarHBondContact O-N 3.1Å; I517-R521 HydrophobicContact CG2-CG 4.17Å; I517-R521 WeakPolarHBondContact O-CB 3.38Å; I517-R521 WeakPolarHBondContact O-CG 3.43Å; I517-R521 PolarHBondContact O-N 3.26Å
518Y75.5Confident67Low18 Ų1863.7 Ų63.77%0.07129%0.292CS..Hα-helixtrans-59.2-52.1179.4173.3-95.5000111.5F496 D497 L502 E514 M515 K516 M520 R521 F522F496-Y518 HydrophobicContact CD2-CE1 4Å; F496-Y518 HydrophobicContact CE1-CE1 4.08Å; F496-Y518 HydrophobicContact CE2-CD1 4.26Å; F496-Y518 AromaticContact CE2-CE1 3.5Å; F496-Y518 HydrophobicContact CE2-CE1 3.5Å; F496-Y518 VanDerWaalsContact CE2-CE1 3.5Å; F496-Y518 HydrophobicContact CG-CE1 4.48Å; F496-Y518 AromaticContact CZ-CD1 3.92Å; F496-Y518 HydrophobicContact CZ-CD1 3.92Å; F496-Y518 AromaticContact CZ-CE1 3.5Å; F496-Y518 HydrophobicContact CZ-CE1 3.5Å; F496-Y518 VanDerWaalsContact CZ-CE1 3.5Å; D497-Y518 HydrophobicContact CB-CE2 3.86Å; D497-Y518 PolarHBondContact N-OH 3.19Å; L502-Y518 HydrophobicContact CD1-CD1 4.24Å; L502-Y518 HydrophobicContact CD1-CD2 3.76Å; L502-Y518 HydrophobicContact CD1-CE1 4.14Å; L502-Y518 HydrophobicContact CD1-CE2 3.63Å; L502-Y518 HydrophobicContact CD1-CG 4.05Å; L502-Y518 HydrophobicContact CD2-CD1 3.73Å; L502-Y518 HydrophobicContact CD2-CD2 4.33Å; L502-Y518 HydrophobicContact CD2-CE1 4.25Å; L502-Y518 HydrophobicContact CD2-CG 3.77Å; L502-Y518 HydrophobicContact CG-CD1 3.9Å; L502-Y518 HydrophobicContact CG-CD2 3.57Å; L502-Y518 HydrophobicContact CG-CE1 4.31Å; L502-Y518 HydrophobicContact CG-CE2 4Å; L502-Y518 HydrophobicContact CG-CG 3.5Å; E514-Y518 WeakPolarHBondContact O-CB 3.43Å; E514-Y518 PolarHBondContact O-N 3.24Å; M515-Y518 PolarHBondContact O-N 3.41Å; K516-Y518 PolarHBondContact O-N 3.19Å; Y518-M520 VanDerWaalsContact C-N 3.32Å; Y518-M520 PolarHBondContact O-N 3.26Å; Y518-R521 CarbonylContact O-C 3.6Å; Y518-R521 PolarHBondContact O-N 2.93Å; Y518-R521 VanDerWaalsContact O-N 3.15Å; Y518-F522 HydrophobicContact CE1-CD2 4.02Å; Y518-F522 HydrophobicContact CE2-CD2 4.02Å; Y518-F522 HydrophobicContact CE2-CE2 4.38Å; Y518-F522 AromaticContact CZ-CD2 3.56Å; Y518-F522 AromaticContact CZ-CE2 3.8Å; Y518-F522 PolarHBondContact O-N 3.47Å; Y518-F522 WeakPolarHBondContact OH-CD2 3.33Å; Y518-F522 WeakPolarHBondContact OH-CE2 3.21Å
519F70Confident65.2Low17 Ų1768.6 Ų68.68%0.07531%0.309CS..Hα-helixtrans-65.5-34.4-179.9-79.6-73.9000112.9V408 V462 M465 V466 F493 F496 M515 K516V408-F519 HydrophobicContact CG1-CD1 3.94Å; V408-F519 HydrophobicContact CG1-CE1 4.11Å; V462-F519 HydrophobicContact CG1-CB 3.8Å; V462-F519 HydrophobicContact CG2-CB 3.98Å; M465-F519 HydrophobicContact CE-CB 4.48Å; M465-F519 HydrophobicContact CE-CD1 4.04Å; M465-F519 HydrophobicContact CE-CD2 3.31Å; M465-F519 HydrophobicContact CE-CE1 3.93Å; M465-F519 HydrophobicContact CE-CE2 3.23Å; M465-F519 HydrophobicContact CE-CG 3.72Å; M465-F519 HydrophobicContact CE-CZ 3.53Å; M465-F519 HydrophobicContact SD-CD1 4.4Å; M465-F519 HydrophobicContact SD-CD2 4.44Å; M465-F519 HydrophobicContact SD-CE1 3.85Å; M465-F519 HydrophobicContact SD-CE2 3.94Å; M465-F519 HydrophobicContact SD-CZ 3.57Å; M465-F519 VanDerWaalsContact SD-CZ 3.57Å; V466-F519 HydrophobicContact CG2-CD2 4.44Å; F493-F519 HydrophobicContact CD1-CE1 4.28Å; F493-F519 HydrophobicContact CD1-CZ 4.5Å; F493-F519 HydrophobicContact CE1-CE1 4.17Å; F493-F519 HydrophobicContact CE1-CZ 4.21Å; F493-F519 HydrophobicContact CE2-CZ 4.36Å; F493-F519 HydrophobicContact CZ-CZ 4.12Å; F496-F519 HydrophobicContact CE1-CZ 4.38Å; F496-F519 HydrophobicContact CE2-CD1 4.23Å; F496-F519 AromaticContact CE2-CE1 3.33Å; F496-F519 HydrophobicContact CE2-CE1 3.33Å; F496-F519 HydrophobicContact CE2-CE2 4.17Å; F496-F519 AromaticContact CE2-CZ 3.31Å; F496-F519 HydrophobicContact CE2-CZ 3.31Å; F496-F519 HydrophobicContact CZ-CD2 4.48Å; F496-F519 AromaticContact CZ-CE1 3.67Å; F496-F519 HydrophobicContact CZ-CE1 3.67Å; F496-F519 AromaticContact CZ-CE2 3.59Å; F496-F519 HydrophobicContact CZ-CE2 3.59Å; F496-F519 AromaticContact CZ-CZ 3.13Å; F496-F519 HydrophobicContact CZ-CZ 3.13Å; M515-F519 HydrophobicContact CG-CD2 3.74Å; M515-F519 HydrophobicContact CG-CE2 3.56Å; M515-F519 VanDerWaalsContact O-CD2 3.23Å; M515-F519 WeakPolarHBondContact O-CD2 3.29Å; M515-F519 PolarHBondContact O-N 3.24Å; M515-F519 HydrophobicContact SD-CE2 4.13Å; K516-F519 PolarHBondContact O-N 2.89Å
520M71.6Confident63.6Low41 Ų4166.2 Ų66.220%0.20230%0.303CS..Hα-helixtrans-71-37.2173-67.4-64-73.100111.9M458 Q459 V462 K516 I517 Y518M458-M520 HydrophobicContact CG-SD 4.3Å; Q459-M520 HydrophobicContact CB-CE 4.16Å; Q459-M520 HydrophobicContact CB-SD 4.43Å; Q459-M520 PolarHBondContact OE1-SD 2.92Å; Q459-M520 VanDerWaalsContact OE1-SD 3.4Å; V462-M520 HydrophobicContact CB-SD 4.43Å; V462-M520 HydrophobicContact CG2-SD 4.02Å; K516-M520 WeakPolarHBondContact O-CB 3.35Å; K516-M520 WeakPolarHBondContact O-CG 3.48Å; K516-M520 PolarHBondContact O-N 3.14Å; I517-M520 PolarHBondContact O-N 3.1Å; Y518-M520 VanDerWaalsContact C-N 3.32Å; Y518-M520 PolarHBondContact O-N 3.26Å
521R64.3Low62.9Low165 Ų16573.3 Ų73.362%0.62334%0.341SS*.Hα-helixtrans-74.1-28.9178.1-85.9-175.2162.7166-5.1113.9I517 Y518 R523 C524 A525I517-R521 HydrophobicContact CG2-CG 4.17Å; I517-R521 WeakPolarHBondContact O-CB 3.38Å; I517-R521 WeakPolarHBondContact O-CG 3.43Å; I517-R521 PolarHBondContact O-N 3.26Å; Y518-R521 CarbonylContact O-C 3.6Å; Y518-R521 PolarHBondContact O-N 2.93Å; Y518-R521 VanDerWaalsContact O-N 3.15Å; R521-R523 PolarHBondContact O-N 3.3Å; R521-R523 VanDerWaalsContact O-N 3.08Å; R521-C524 PolarHBondContact O-N 3.04Å; R521-A525 PolarHBondContact O-N 3.23Å
522F52Low62.3Low54 Ų5473.4 Ų73.424%0.23734%0.339CS..Hα-helixtrans-56.5-27177.5-146.2-94.2000111.3I412 Y518I412-F522 HydrophobicContact CG2-CD1 3.98Å; I412-F522 HydrophobicContact CG2-CE1 3.78Å; Y518-F522 HydrophobicContact CE1-CD2 4.02Å; Y518-F522 HydrophobicContact CE2-CD2 4.02Å; Y518-F522 HydrophobicContact CE2-CE2 4.38Å; Y518-F522 AromaticContact CZ-CD2 3.56Å; Y518-F522 AromaticContact CZ-CE2 3.8Å; Y518-F522 PolarHBondContact O-N 3.47Å; Y518-F522 WeakPolarHBondContact OH-CD2 3.33Å; Y518-F522 WeakPolarHBondContact OH-CE2 3.21Å
523R46.7Very low62.1Low50 Ų5077.3 Ų77.319%0.18935%0.352CS..Hα-helixtrans-80-42.5168.1-112.4-167.7172.6-156.14.5114.8N411 N451 V453 R521 A525 Q526 R527N411-R523 PolarHBondContact ND2-NE 3.47Å; N411-R523 PolarHBondContact ND2-NH2 2.82Å; N411-R523 VanDerWaalsContact ND2-NH2 3.17Å; N411-R523 PolarHBondContact OD1-NH2 2.68Å; N451-R523 PolarHBondContact O-NH2 3.25Å; V453-R523 PolarHBondContact O-NH1 3.01Å; V453-R523 PolarHBondContact O-NH2 3.16Å; R521-R523 PolarHBondContact O-N 3.3Å; R521-R523 VanDerWaalsContact O-N 3.08Å; R523-A525 PolarHBondContact O-N 2.95Å; R523-Q526 WeakPolarHBondContact O-CB 3.45Å; R523-Q526 PolarHBondContact O-N 3.23Å; R523-Q526 VanDerWaalsContact O-N 3.12Å; R523-R527 PolarHBondContact O-N 3.2Å
524C37.5Very low62.1Low75 Ų7570 Ų7051%0.50733%0.325SS..Hα-helixtrans-67.2-23.9-180-72.50000113.3R521 Q526 R527R521-C524 PolarHBondContact O-N 3.04Å; C524-Q526 PolarHBondContact O-N 2.77Å; C524-R527 CarbonylContact O-C 3.45Å; C524-R527 PolarHBondContact O-N 3.48Å; C524-R527 VanDerWaalsContact O-O 3.06Å
525A38.8Very low62.2Low37 Ų3776.7 Ų76.731%0.30635%0.35SS..THydrogen-bonded Turntrans-63.4-26.8172.700000113R521 R523R521-A525 PolarHBondContact O-N 3.23Å; R523-A525 PolarHBondContact O-N 2.95Å
526Q40.7Very low62.4Low52 Ų5279.8 Ų79.824%0.24337%0.368CS..THydrogen-bonded Turntrans-81.2-30171.9-93179.8-1.300111.4A413 R523 C524 R528 F582A413-Q526 PolarHBondContact O-NE2 3.13Å; R523-Q526 WeakPolarHBondContact O-CB 3.45Å; R523-Q526 PolarHBondContact O-N 3.23Å; R523-Q526 VanDerWaalsContact O-N 3.12Å; C524-Q526 PolarHBondContact O-N 2.77Å; Q526-R528 PolarHBondContact O-N 3.48Å; Q526-R528 VanDerWaalsContact O-N 3.1Å; Q526-F582 VanDerWaalsContact C-CD1 3.45Å; Q526-F582 HydrophobicContact CB-CD1 3.47Å; Q526-F582 VanDerWaalsContact CB-CD1 3.47Å; Q526-F582 HydrophobicContact CB-CE1 3.64Å; Q526-F582 HydrophobicContact CG-CD1 3.81Å; Q526-F582 HydrophobicContact CG-CE1 4.36Å; Q526-F582 WeakPolarHBondContact O-CD1 3.32Å; Q526-F582 WeakPolarHBondContact O-CE1 3.45Å
527R35.5Very low62.4Low144 Ų14479.4 Ų79.454%0.54337%0.37SS..  trans-82.783.9172.7-64.6-174.7178.6-175.1-4.6111.9R523 C524R523-R527 PolarHBondContact O-N 3.2Å; C524-R527 CarbonylContact O-C 3.45Å; C524-R527 PolarHBondContact O-N 3.48Å; C524-R527 VanDerWaalsContact O-O 3.06Å
528R37.8Very low62.4Low148 Ų14881.1 Ų81.156%0.55838%0.38SS*.  trans-105.2110.7135.3-69.4-171-167.5-164.81.5105.7Q526 S530Q526-R528 PolarHBondContact O-N 3.48Å; Q526-R528 VanDerWaalsContact O-N 3.1Å; R528-S530 PolarHBondContact O-N 2.97Å; R528-S530 PolarHBondContact O-OG 3.32Å
529D44.7Very low62.2Low143 Ų14381.2 Ų81.277%0.76538%0.381SS*.  trans-65.466.2161.7-66.7-37.5000107.9
530S52.5Low62.2Low37 Ų3787.1 Ų87.126%0.25941%0.413SS..  trans-105.7128.4168.539.20000106.5R528 C581R528-S530 PolarHBondContact O-N 2.97Å; R528-S530 PolarHBondContact O-OG 3.32Å; S530-C581 WeakPolarHBondContact O-CB 3.22Å; S530-C581 PolarHBondContact O-N 3.46Å
531N67.6Low61.7Low150 Ų15089.5 Ų89.580%0.80243%0.43SS*.  trans-53.5144.3167.4-67.9-11.5000109R533N531-R533 PolarHBondContact O-N 3.49Å
532H75.8Confident62.1Low24 Ų2485.3 Ų85.311%0.11142%0.424CS..  trans-54.1129.4175-74.9-75.2000110.7F534 C562 C565 S579 C581H532-F534 HydrophobicContact CB-CD1 4.43Å; H532-F534 HydrophobicContact CB-CD2 3.8Å; H532-F534 HydrophobicContact CB-CE1 3.97Å; H532-F534 HydrophobicContact CB-CE2 3.28Å; H532-F534 HydrophobicContact CB-CG 4.34Å; H532-F534 HydrophobicContact CB-CZ 3.36Å; H532-F534 AromaticContact CG-CZ 3.67Å; H532-F534 PolarHBondContact O-N 3.19Å; H532-C562 HydrophobicContact CB-CB 4.2Å; H532-C562 PolarHBondContact ND1-SG 2.83Å; H532-C562 VanDerWaalsContact ND1-SG 3.36Å; H532-C565 PolarHBondContact CE1-SG 3.43Å; H532-C565 PolarHBondContact ND1-SG 3.38Å; H532-S579 PolarHBondContact CD2-O 3.21Å; H532-S579 VanDerWaalsContact CD2-O 3.23Å; H532-S579 PolarHBondContact NE2-O 3.42Å; H532-C581 HydrophobicContact CB-CB 4.36Å; H532-C581 WeakPolarHBondContact ND1-CB 3.44Å; H532-C581 PolarHBondContact ND1-SG 2.88Å; H532-C581 VanDerWaalsContact ND1-SG 3.44Å
533R80.7Confident63Low154 Ų15484.7 Ų84.758%0.58143%0.425SS*.  trans-87.289.2169.2-165.6171.681.9-175.92.7109.6N531 C562 E563N531-R533 PolarHBondContact O-N 3.49Å; R533-C562 WeakPolarHBondContact O-CA 3.39Å; R533-E563 IonicContact CZ-OE2 3.84Å; R533-E563 IonicContact NE-OE2 2.72Å; R533-E563 PolarHBondContact NE-OE2 3.18Å; R533-E563 IonicContact NH2-OE2 3.69Å; R533-E563 PolarHBondContact NH2-OE2 3.38Å; R533-E563 PolarHBondContact O-N 2.97Å
534F85.9Confident64.6Low35 Ų3588.6 Ų88.615%0.15444%0.443CS..EExtended strand (participates in β ladder)trans-77.1138.5-179.4-69.3-67.5000112.3H532 L560 C562 V567 I569 E574H532-F534 HydrophobicContact CB-CD1 4.43Å; H532-F534 HydrophobicContact CB-CD2 3.8Å; H532-F534 HydrophobicContact CB-CE1 3.97Å; H532-F534 HydrophobicContact CB-CE2 3.28Å; H532-F534 HydrophobicContact CB-CG 4.34Å; H532-F534 HydrophobicContact CB-CZ 3.36Å; H532-F534 AromaticContact CG-CZ 3.67Å; H532-F534 PolarHBondContact O-N 3.19Å; F534-L560 HydrophobicContact CB-CB 3.99Å; F534-L560 HydrophobicContact CB-CD1 4.46Å; F534-L560 HydrophobicContact CB-CD2 3.93Å; F534-L560 HydrophobicContact CB-CG 4.33Å; F534-L560 HydrophobicContact CD1-CB 3.92Å; F534-L560 HydrophobicContact CG-CB 4.06Å; F534-C562 HydrophobicContact CD1-CB 3.95Å; F534-C562 HydrophobicContact CE1-CB 3.84Å; F534-V567 HydrophobicContact CE1-CG1 4.48Å; F534-I569 HydrophobicContact CD1-CD1 4.35Å; F534-I569 HydrophobicContact CD1-CG1 4.21Å; F534-I569 HydrophobicContact CD2-CD1 4.1Å; F534-I569 HydrophobicContact CE1-CD1 3.8Å; F534-I569 HydrophobicContact CE1-CG1 3.74Å; F534-I569 HydrophobicContact CE2-CD1 3.48Å; F534-I569 VanDerWaalsContact CE2-CD1 3.48Å; F534-I569 HydrophobicContact CE2-CG1 4.32Å; F534-I569 HydrophobicContact CZ-CD1 3.33Å; F534-I569 HydrophobicContact CZ-CG1 3.81Å; F534-I569 HydrophobicContact CZ-CG2 4.43Å; F534-E574 HydrophobicContact CD2-CG 4.19Å
535R85.5Confident66.7Low155 Ų15585 Ų8559%0.58542%0.42SS*.EExtended strand (participates in β ladder)trans-119.7140.4168.1177.2174.7175-177.52.5109.4V537 K561 E563R535-V537 HydrophobicContact CG-CG1 4.4Å; R535-V537 PolarHBondContact O-N 3.04Å; R535-K561 PolarHBondContact N-O 3.4Å; R535-K561 PolarHBondContact O-N 3.16Å; R535-E563 HydrophobicContact CB-CG 3.9Å; R535-E563 VanDerWaalsContact CD-OE1 3.28Å; R535-E563 WeakPolarHBondContact CD-OE1 3.46Å
536V88Confident68.7Low64 Ų6488.6 Ų88.639%0.38843%0.426SS..EExtended strand (participates in β ladder)trans-68.2121.5173.6-178.70000109.9P558 E559 L560V536-P558 HydrophobicContact CG1-CB 3.2Å; V536-P558 HydrophobicContact CG1-CG 4.26Å; V536-E559 CarbonylContact C-O 3.59Å; V536-E559 WeakPolarHBondContact CA-O 3.36Å; V536-L560 HydrophobicContact CG2-CD2 3.89Å
537V82.1Confident70.5Confident42 Ų4289.9 Ų89.926%0.25543%0.432SS..EExtended strand (participates in β ladder)trans-138.4148.1-179.8-67.20000111.5R535 I539 E559 K561R535-V537 HydrophobicContact CG-CG1 4.4Å; R535-V537 PolarHBondContact O-N 3.04Å; V537-I539 HydrophobicContact CG2-CD1 4.49Å; V537-I539 HydrophobicContact CG2-CG1 3.92Å; V537-I539 PolarHBondContact O-N 3.31Å; V537-E559 PolarHBondContact N-O 2.99Å; V537-E559 PolarHBondContact O-N 3.41Å; V537-K561 HydrophobicContact CG2-CB 3.36Å; V537-K561 HydrophobicContact CG2-CD 4.23Å; V537-K561 HydrophobicContact CG2-CG 4.44Å
538N78Confident72.6Confident98 Ų9885.2 Ų85.252%0.52442%0.42SS..  trans-83.6110.9167.9-70.8-9.7000108.7L540 P558N538-L540 PolarHBondContact O-N 3.26Å; N538-P558 WeakPolarHBondContact OD1-CA 3.41Å
539I70.1Confident74.5Confident20 Ų2084.6 Ų84.610%0.10342%0.422CS..  trans-85.5101.2179.6-58.9-179.4000108V537 T541 T543 L552 E559 A568V537-I539 HydrophobicContact CG2-CD1 4.49Å; V537-I539 HydrophobicContact CG2-CG1 3.92Å; V537-I539 PolarHBondContact O-N 3.31Å; I539-T541 VanDerWaalsContact C-N 3.31Å; I539-T541 WeakPolarHBondContact CG2-O 3.36Å; I539-T543 WeakPolarHBondContact CG2-OG1 3.49Å; I539-L552 HydrophobicContact CD1-CB 4.27Å; I539-L552 HydrophobicContact CD1-CD1 3.96Å; I539-E559 HydrophobicContact CD1-CB 3.8Å; I539-E559 HydrophobicContact CG1-CB 4.3Å; I539-A568 HydrophobicContact CD1-CB 3.68Å
540L69.9Low75.9Confident141 Ų14186.8 Ų86.874%0.73842%0.42SS*.  trans-84.5-4.6-177.4-64.5169.4000113.5N538N538-L540 PolarHBondContact O-N 3.26Å
541T62.5Low77Confident91 Ų9188.9 Ų88.956%0.55843%0.427SS*.SBendtrans-115.8140.5-179.748.50000110.7I539 T543I539-T541 VanDerWaalsContact C-N 3.31Å; I539-T541 WeakPolarHBondContact CG2-O 3.36Å; T541-T543 PolarHBondContact O-N 3.02Å; T541-T543 PolarHBondContact O-OG1 2.87Å; T541-T543 PolarHBondContact OG1-OG1 2.91Å
542P71Confident77.1Confident78 Ų7881.8 Ų81.851%0.50639%0.389SS..  trans-50.9103.7172.813-24000110.3L551 W553P542-L551 HydrophobicContact CB-CD1 4.29Å; P542-W553 HydrophobicContact CB-CE3 3.38Å; P542-W553 HydrophobicContact CB-CZ3 3.32Å; P542-W553 HydrophobicContact CG-CE3 3.94Å; P542-W553 HydrophobicContact CG-CH2 4.19Å; P542-W553 HydrophobicContact CG-CZ3 3.35Å
543T72.5Confident76.3Confident41 Ų4187.2 Ų87.225%0.25241%0.409SS..EExtended strand (participates in β ladder)trans-124.6148.4179.9-44.90000107.3I539 T541 L552 A568I539-T543 WeakPolarHBondContact CG2-OG1 3.49Å; T541-T543 PolarHBondContact O-N 3.02Å; T541-T543 PolarHBondContact O-OG1 2.87Å; T541-T543 PolarHBondContact OG1-OG1 2.91Å; T543-L552 WeakPolarHBondContact O-CA 3.46Å; T543-L552 VanDerWaalsContact O-CB 3.28Å; T543-L552 WeakPolarHBondContact O-CB 3.32Å; T543-L552 PolarHBondContact O-N 3.34Å; T543-A568 HydrophobicContact CG2-CB 4.15Å
544F79.1Confident75.1Confident131 Ų13183.8 Ų83.858%0.57540%0.402SS*.EExtended strand (participates in β ladder)trans-102.2142.5177.3-69.2-90.4000110Y546 K549 L551F544-Y546 PolarHBondContact O-N 3.24Å; F544-K549 WeakPolarHBondContact CD1-O 3.23Å; F544-L551 HydrophobicContact CD1-CB 4.37Å; F544-L551 HydrophobicContact CD1-CD1 4.12Å; F544-L551 HydrophobicContact CD2-CD1 4.43Å; F544-L551 HydrophobicContact CE1-CB 4.23Å; F544-L551 HydrophobicContact CE1-CD1 3.76Å; F544-L551 HydrophobicContact CE2-CD1 4.08Å; F544-L551 HydrophobicContact CG-CD1 4.45Å; F544-L551 HydrophobicContact CZ-CD1 3.74Å
545C82.3Confident73.6Confident1 Ų187 Ų871%0.00743%0.425CS..  trans-63.8127.6173.2173.50000109.8H547 C548 K549 R550 L552 A568 I569 H570C545-H547 VanDerWaalsContact C-N 3.31Å; C545-H547 PolarHBondContact O-N 3.1Å; C545-C548 VanDerWaalsContact CB-SG 3.56Å; C545-K549 WeakPolarHBondContact O-CA 3.44Å; C545-K549 PolarHBondContact O-N 3.03Å; C545-R550 WeakPolarHBondContact CB-O 3.49Å; C545-R550 PolarHBondContact N-O 3.17Å; C545-L552 HydrophobicContact CB-CD1 4.11Å; C545-L552 HydrophobicContact CB-CD2 4.23Å; C545-L552 HydrophobicContact CB-CG 3.98Å; C545-A568 WeakPolarHBondContact CA-O 3.47Å; C545-I569 VanDerWaalsContact SG-CA 3.6Å; C545-H570 VanDerWaalsContact CB-CE1 3.42Å; C545-H570 WeakPolarHBondContact CB-CE1 3.43Å; C545-H570 WeakPolarHBondContact CB-ND1 3.25Å; C545-H570 PolarHBondContact SG-N 3.29Å; C545-H570 PolarHBondContact SG-ND1 3.5Å; C545-H570 VanDerWaalsContact SG-ND1 3.42Å
546Y80.4Confident72.1Confident111 Ų11187.3 Ų87.344%0.43544%0.437SS..THydrogen-bonded Turntrans-63-38.6-177.8-177.3-99.8000112.9F544 K549 V567 A568F544-Y546 PolarHBondContact O-N 3.24Å; Y546-K549 WeakPolarHBondContact O-CE 3.39Å; Y546-K549 PolarHBondContact O-NZ 3.21Å; Y546-V567 VanDerWaalsContact CB-CG1 3.44Å; Y546-V567 HydrophobicContact CD1-CG1 4.05Å; Y546-V567 HydrophobicContact CD2-CG1 4.28Å; Y546-V567 HydrophobicContact CD2-CG2 4.21Å; Y546-V567 HydrophobicContact CG-CG1 3.68Å; Y546-V567 HydrophobicContact CG-CG2 4.38Å; Y546-A568 PolarHBondContact N-O 2.97Å
547H78.6Confident70.8Confident80 Ų8092.5 Ų92.537%0.3745%0.449SS..THydrogen-bonded Turntrans-74.2-59.4-178.5-175.7-87.9000112.6C545 I569 C573 A576C545-H547 VanDerWaalsContact C-N 3.31Å; C545-H547 PolarHBondContact O-N 3.1Å; H547-I569 HydrophobicContact CB-CG2 4.37Å; H547-C573 HydrophobicContact CB-CB 3.88Å; H547-A576 VanDerWaalsContact CE1-CB 3.45Å; H547-A576 WeakPolarHBondContact CE1-CB 3.32Å; H547-A576 WeakPolarHBondContact NE2-CB 2.88Å; H547-A576 PolarHBondContact NE2-O 2.82Å
548C80.5Confident70.4Confident45 Ų4592.7 Ų92.730%0.30445%0.452SS..THydrogen-bonded Turntrans-95.1-3.9-172.475.20000114.8C545 R550 H570C545-C548 VanDerWaalsContact CB-SG 3.56Å; C548-R550 PolarHBondContact O-N 3.43Å; C548-R550 VanDerWaalsContact O-N 3.07Å; C548-R550 PolarHBondContact SG-N 3.11Å; C548-H570 VanDerWaalsContact SG-CE1 3.56Å; C548-H570 PolarHBondContact SG-ND1 2.92Å
549K76.2Confident70.8Confident136 Ų13688.8 Ų88.859%0.59143%0.43SS*.  trans59.611.7-176.9-51.2-57.5-174.5-159.50115.6F544 C545 Y546F544-K549 WeakPolarHBondContact CD1-O 3.23Å; C545-K549 WeakPolarHBondContact O-CA 3.44Å; C545-K549 PolarHBondContact O-N 3.03Å; Y546-K549 WeakPolarHBondContact O-CE 3.39Å; Y546-K549 PolarHBondContact O-NZ 3.21Å
550R74.9Confident71.6Confident189 Ų18988.1 Ų88.171%0.71343%0.427SS*.  trans-88.6157.1175.1-60.7180-177.6-1790.1111.6C545 C548C545-R550 WeakPolarHBondContact CB-O 3.49Å; C545-R550 PolarHBondContact N-O 3.17Å; C548-R550 PolarHBondContact O-N 3.43Å; C548-R550 VanDerWaalsContact O-N 3.07Å; C548-R550 PolarHBondContact SG-N 3.11Å
551L76.6Confident72.4Confident81 Ų8185.9 Ų85.942%0.42441%0.411SS..EExtended strand (participates in β ladder)trans-64.9132.5-176.9-165.273000112.1P542 F544 W553 H570P542-L551 HydrophobicContact CB-CD1 4.29Å; F544-L551 HydrophobicContact CD1-CB 4.37Å; F544-L551 HydrophobicContact CD1-CD1 4.12Å; F544-L551 HydrophobicContact CD2-CD1 4.43Å; F544-L551 HydrophobicContact CE1-CB 4.23Å; F544-L551 HydrophobicContact CE1-CD1 3.76Å; F544-L551 HydrophobicContact CE2-CD1 4.08Å; F544-L551 HydrophobicContact CG-CD1 4.45Å; F544-L551 HydrophobicContact CZ-CD1 3.74Å; L551-W553 HydrophobicContact CD2-CB 3.57Å; L551-W553 HydrophobicContact CD2-CE3 4.32Å; L551-W553 HydrophobicContact CD2-CG 4.4Å; L551-W553 HydrophobicContact CG-CB 3.78Å; L551-H570 PolarHBondContact O-NE2 2.64Å; L551-H570 VanDerWaalsContact O-NE2 3.16Å
552L68.6Low73.4Confident1 Ų181.7 Ų81.71%0.00539%0.386CS..EExtended strand (participates in β ladder)trans-9580164.8-64.9162.4000107.4I539 T543 C545 E559 A568 H570I539-L552 HydrophobicContact CD1-CB 4.27Å; I539-L552 HydrophobicContact CD1-CD1 3.96Å; T543-L552 WeakPolarHBondContact O-CA 3.46Å; T543-L552 VanDerWaalsContact O-CB 3.28Å; T543-L552 WeakPolarHBondContact O-CB 3.32Å; T543-L552 PolarHBondContact O-N 3.34Å; C545-L552 HydrophobicContact CB-CD1 4.11Å; C545-L552 HydrophobicContact CB-CD2 4.23Å; C545-L552 HydrophobicContact CB-CG 3.98Å; L552-E559 HydrophobicContact CD2-CB 3.98Å; L552-E559 HydrophobicContact CD2-CG 3.61Å; L552-A568 HydrophobicContact CD1-CB 3.62Å; L552-H570 HydrophobicContact CD2-CB 4.28Å; L552-H570 WeakPolarHBondContact CD2-CD2 3.14Å; L552-H570 WeakPolarHBondContact CD2-NE2 3.39Å
553W58.3Low73.8Confident137 Ų13782.4 Ų82.452%0.51938%0.382SS..  trans-135.199.6172.8-168.8-50.2000108.4P542 L551P542-W553 HydrophobicContact CB-CE3 3.38Å; P542-W553 HydrophobicContact CB-CZ3 3.32Å; P542-W553 HydrophobicContact CG-CE3 3.94Å; P542-W553 HydrophobicContact CG-CH2 4.19Å; P542-W553 HydrophobicContact CG-CZ3 3.35Å; L551-W553 HydrophobicContact CD2-CB 3.57Å; L551-W553 HydrophobicContact CD2-CE3 4.32Å; L551-W553 HydrophobicContact CD2-CG 4.4Å; L551-W553 HydrophobicContact CG-CB 3.78Å
554N56.4Low73.5Confident83 Ų8382.2 Ų82.244%0.44438%0.38SS..  trans-150.8114.1165.6-91.7-41.8000108.6L556 R557N554-L556 PolarHBondContact O-N 3.33Å; N554-R557 HydrophobicContact CB-CB 3.86Å; N554-R557 PolarHBondContact O-N 3.01Å
555V54.7Low73.2Confident103 Ų10376.4 Ų76.462%0.62436%0.355SS*.THydrogen-bonded Turntrans-60-19.8179.6-173.20000111.8
556L54.1Low72.9Confident160 Ų16077 Ų7784%0.83836%0.361SS*.THydrogen-bonded Turntrans-112.5-7.8-173-63172.1000114.5N554N554-L556 PolarHBondContact O-N 3.33Å
557R60.8Low73Confident173 Ų17372.7 Ų72.765%0.65335%0.347SS*.SBendtrans-113.7114.7-179.7-78-171177.91681.5110.6N554N554-R557 HydrophobicContact CB-CB 3.86Å; N554-R557 PolarHBondContact O-N 3.01Å
558P72.9Confident73.2Confident47 Ų4769.3 Ų69.331%0.30533%0.332SS..  trans-65.3132.5172.2-15.928.6000110.4V536 N538V536-P558 HydrophobicContact CG1-CB 3.2Å; V536-P558 HydrophobicContact CG1-CG 4.26Å; N538-P558 WeakPolarHBondContact OD1-CA 3.41Å
559E87.1Confident73.6Confident16 Ų1667.1 Ų67.18%0.07532%0.318CS..EExtended strand (participates in β ladder)trans-114.4175179.1-62.6-66.6-175.500110.4V536 V537 I539 L552 H570 R571V536-E559 CarbonylContact C-O 3.59Å; V536-E559 WeakPolarHBondContact CA-O 3.36Å; V537-E559 PolarHBondContact N-O 2.99Å; V537-E559 PolarHBondContact O-N 3.41Å; I539-E559 HydrophobicContact CD1-CB 3.8Å; I539-E559 HydrophobicContact CG1-CB 4.3Å; L552-E559 HydrophobicContact CD2-CB 3.98Å; L552-E559 HydrophobicContact CD2-CG 3.61Å; E559-H570 IonicContact OE1-CD2 3.68Å; E559-H570 VanDerWaalsContact OE2-CA 3.22Å; E559-H570 WeakPolarHBondContact OE2-CA 3.28Å; E559-H570 IonicContact OE2-CD2 3.65Å; E559-R571 PolarHBondContact OE2-N 3.2Å
560L86.5Confident74Confident5 Ų562.5 Ų62.53%0.02630%0.298CS..EExtended strand (participates in β ladder)trans-98.5133.7-176.5-67.6169.1000110.9F534 V536 A568 I569 R571 E574F534-L560 HydrophobicContact CB-CB 3.99Å; F534-L560 HydrophobicContact CB-CD1 4.46Å; F534-L560 HydrophobicContact CB-CD2 3.93Å; F534-L560 HydrophobicContact CB-CG 4.33Å; F534-L560 HydrophobicContact CD1-CB 3.92Å; F534-L560 HydrophobicContact CG-CB 4.06Å; V536-L560 HydrophobicContact CG2-CD2 3.89Å; L560-A568 CarbonylContact O-C 3.24Å; L560-A568 VanDerWaalsContact O-CA 3.22Å; L560-A568 WeakPolarHBondContact O-CA 3.31Å; L560-I569 HydrophobicContact CB-CG1 3.84Å; L560-I569 HydrophobicContact CD1-CD1 4.33Å; L560-I569 HydrophobicContact CD1-CG1 4.29Å; L560-I569 PolarHBondContact N-O 3.47Å; L560-I569 VanDerWaalsContact N-O 3.15Å; L560-I569 PolarHBondContact O-N 3.27Å; L560-R571 HydrophobicContact CD1-CG 4.15Å; L560-R571 HydrophobicContact CG-CG 4.12Å; L560-E574 HydrophobicContact CD1-CB 3.62Å; L560-E574 VanDerWaalsContact CD1-CD 3.49Å; L560-E574 HydrophobicContact CD1-CG 3.91Å; L560-E574 WeakPolarHBondContact CD1-OE2 3.48Å
561K85.9Confident74.5Confident94 Ų9459.8 Ų59.841%0.40929%0.288SS..EExtended strand (participates in β ladder)trans-132.5129.1172.1-167173.4-1731720110.6R535 V537 E563 G566 V567 A568R535-K561 PolarHBondContact N-O 3.4Å; R535-K561 PolarHBondContact O-N 3.16Å; V537-K561 HydrophobicContact CG2-CB 3.36Å; V537-K561 HydrophobicContact CG2-CD 4.23Å; V537-K561 HydrophobicContact CG2-CG 4.44Å; K561-E563 PolarHBondContact O-N 3.01Å; K561-G566 WeakPolarHBondContact CE-O 3.43Å; K561-G566 WeakPolarHBondContact CG-O 3.32Å; K561-V567 CarbonylContact C-O 3.55Å; K561-V567 VanDerWaalsContact CA-O 3.31Å; K561-V567 WeakPolarHBondContact CA-O 3.28Å; K561-A568 HydrophobicContact CG-CB 4.36Å
562C84.9Confident74.9Confident4 Ų463.1 Ų63.13%0.02731%0.306CS..EExtended strand (participates in β ladder)trans-69.5129.6-179.6-179.40000110.2H532 R533 F534 D564 C565 G566 V567 C581H532-C562 HydrophobicContact CB-CB 4.2Å; H532-C562 PolarHBondContact ND1-SG 2.83Å; H532-C562 VanDerWaalsContact ND1-SG 3.36Å; R533-C562 WeakPolarHBondContact O-CA 3.39Å; F534-C562 HydrophobicContact CD1-CB 3.95Å; F534-C562 HydrophobicContact CE1-CB 3.84Å; C562-D564 VanDerWaalsContact C-N 3.35Å; C562-C565 VanDerWaalsContact CB-SG 3.53Å; C562-G566 WeakPolarHBondContact O-CA 3.3Å; C562-G566 PolarHBondContact O-N 2.88Å; C562-V567 PolarHBondContact N-O 3.39Å; C562-C581 PolarHBondContact SG-SG 3.47Å
563E77.8Confident75.6Confident93 Ų9363.7 Ų63.744%0.43531%0.31SS..THydrogen-bonded Turntrans-70.9-29.6179.5-69.2-170.5147.100113.1R533 R535 K561R533-E563 IonicContact CZ-OE2 3.84Å; R533-E563 IonicContact NE-OE2 2.72Å; R533-E563 PolarHBondContact NE-OE2 3.18Å; R533-E563 IonicContact NH2-OE2 3.69Å; R533-E563 PolarHBondContact NH2-OE2 3.38Å; R533-E563 PolarHBondContact O-N 2.97Å; R535-E563 HydrophobicContact CB-CG 3.9Å; R535-E563 VanDerWaalsContact CD-OE1 3.28Å; R535-E563 WeakPolarHBondContact CD-OE1 3.46Å; K561-E563 PolarHBondContact O-N 3.01Å
564D67.1Low76.6Confident36 Ų3661.2 Ų61.219%0.19330%0.304CS..THydrogen-bonded Turntrans-83.6-50.7-177-72.7-76.9000112.4C562 R583C562-D564 VanDerWaalsContact C-N 3.35Å; D564-R583 HydrophobicContact CB-CG 4.09Å; D564-R583 IonicContact OD1-CZ 3.48Å; D564-R583 IonicContact OD1-NE 2.72Å; D564-R583 PolarHBondContact OD1-NE 3.05Å; D564-R583 IonicContact OD1-NH2 3.63Å
565C72.3Confident77.2Confident10 Ų1065 Ų657%0.06832%0.324CS..THydrogen-bonded Turntrans-102-22-175.172.30000114.2H532 C562 V567 F582 R584H532-C565 PolarHBondContact CE1-SG 3.43Å; H532-C565 PolarHBondContact ND1-SG 3.38Å; C562-C565 VanDerWaalsContact CB-SG 3.53Å; C565-V567 VanDerWaalsContact SG-CB 3.55Å; C565-V567 VanDerWaalsContact SG-CG2 3.57Å; C565-V567 PolarHBondContact SG-N 3.31Å; C565-V567 VanDerWaalsContact SG-N 3.43Å; C565-F582 WeakPolarHBondContact CB-O 3.47Å; C565-R584 PolarHBondContact O-NE 3.35Å
566G76.9Confident77.8Confident12 Ų1262.5 Ų62.512%0.12432%0.315CS..  trans87.8-2.5-178.200000115.8K561 C562K561-G566 WeakPolarHBondContact CE-O 3.43Å; K561-G566 WeakPolarHBondContact CG-O 3.32Å; C562-G566 WeakPolarHBondContact O-CA 3.3Å; C562-G566 PolarHBondContact O-N 2.88Å
567V81.2Confident77.9Confident22 Ų2256.4 Ų56.413%0.13328%0.283CS..  trans-54.9136.4174.81610000110.6F534 Y546 K561 C562 C565 I569F534-V567 HydrophobicContact CE1-CG1 4.48Å; Y546-V567 VanDerWaalsContact CB-CG1 3.44Å; Y546-V567 HydrophobicContact CD1-CG1 4.05Å; Y546-V567 HydrophobicContact CD2-CG1 4.28Å; Y546-V567 HydrophobicContact CD2-CG2 4.21Å; Y546-V567 HydrophobicContact CG-CG1 3.68Å; Y546-V567 HydrophobicContact CG-CG2 4.38Å; K561-V567 CarbonylContact C-O 3.55Å; K561-V567 VanDerWaalsContact CA-O 3.31Å; K561-V567 WeakPolarHBondContact CA-O 3.28Å; C562-V567 PolarHBondContact N-O 3.39Å; C565-V567 VanDerWaalsContact SG-CB 3.55Å; C565-V567 VanDerWaalsContact SG-CG2 3.57Å; C565-V567 PolarHBondContact SG-N 3.31Å; C565-V567 VanDerWaalsContact SG-N 3.43Å; V567-I569 HydrophobicContact CG1-CG2 4.13Å
568A84.4Confident77.8Confident8 Ų854 Ų547%0.06629%0.293CS..EExtended strand (participates in β ladder)trans-113.9137.8175.800000111.6I539 T543 C545 Y546 L552 L560 K561I539-A568 HydrophobicContact CD1-CB 3.68Å; T543-A568 HydrophobicContact CG2-CB 4.15Å; C545-A568 WeakPolarHBondContact CA-O 3.47Å; Y546-A568 PolarHBondContact N-O 2.97Å; L552-A568 HydrophobicContact CD1-CB 3.62Å; L560-A568 CarbonylContact O-C 3.24Å; L560-A568 VanDerWaalsContact O-CA 3.22Å; L560-A568 WeakPolarHBondContact O-CA 3.31Å; K561-A568 HydrophobicContact CG-CB 4.36Å
569I87.4Confident77.1Confident0 Ų053.1 Ų53.10%029%0.288CS..EExtended strand (participates in β ladder)trans-137.3160.6178.462.4171.8000111F534 C545 H547 L560 V567 C573 E574 D577F534-I569 HydrophobicContact CD1-CD1 4.35Å; F534-I569 HydrophobicContact CD1-CG1 4.21Å; F534-I569 HydrophobicContact CD2-CD1 4.1Å; F534-I569 HydrophobicContact CE1-CD1 3.8Å; F534-I569 HydrophobicContact CE1-CG1 3.74Å; F534-I569 HydrophobicContact CE2-CD1 3.48Å; F534-I569 VanDerWaalsContact CE2-CD1 3.48Å; F534-I569 HydrophobicContact CE2-CG1 4.32Å; F534-I569 HydrophobicContact CZ-CD1 3.33Å; F534-I569 HydrophobicContact CZ-CG1 3.81Å; F534-I569 HydrophobicContact CZ-CG2 4.43Å; C545-I569 VanDerWaalsContact SG-CA 3.6Å; H547-I569 HydrophobicContact CB-CG2 4.37Å; L560-I569 HydrophobicContact CB-CG1 3.84Å; L560-I569 HydrophobicContact CD1-CD1 4.33Å; L560-I569 HydrophobicContact CD1-CG1 4.29Å; L560-I569 PolarHBondContact N-O 3.47Å; L560-I569 VanDerWaalsContact N-O 3.15Å; L560-I569 PolarHBondContact O-N 3.27Å; V567-I569 HydrophobicContact CG1-CG2 4.13Å; I569-C573 HydrophobicContact CB-CB 4.25Å; I569-E574 HydrophobicContact CD1-CB 4.18Å; I569-D577 HydrophobicContact CD1-CB 4.47Å
570H86.3Confident75.7Confident39 Ų3954 Ų5418%0.18130%0.297CS..  trans-64.7148168.7-66.7103.8000109.4C545 C548 L551 L552 E559 N572 C573C545-H570 VanDerWaalsContact CB-CE1 3.42Å; C545-H570 WeakPolarHBondContact CB-CE1 3.43Å; C545-H570 WeakPolarHBondContact CB-ND1 3.25Å; C545-H570 PolarHBondContact SG-N 3.29Å; C545-H570 PolarHBondContact SG-ND1 3.5Å; C545-H570 VanDerWaalsContact SG-ND1 3.42Å; C548-H570 VanDerWaalsContact SG-CE1 3.56Å; C548-H570 PolarHBondContact SG-ND1 2.92Å; L551-H570 PolarHBondContact O-NE2 2.64Å; L551-H570 VanDerWaalsContact O-NE2 3.16Å; L552-H570 HydrophobicContact CD2-CB 4.28Å; L552-H570 WeakPolarHBondContact CD2-CD2 3.14Å; L552-H570 WeakPolarHBondContact CD2-NE2 3.39Å; E559-H570 IonicContact OE1-CD2 3.68Å; E559-H570 VanDerWaalsContact OE2-CA 3.22Å; E559-H570 WeakPolarHBondContact OE2-CA 3.28Å; E559-H570 IonicContact OE2-CD2 3.65Å; H570-N572 PolarHBondContact O-N 2.81Å; H570-N572 VanDerWaalsContact O-N 3.15Å; H570-C573 HydrophobicContact CB-CB 4.24Å; H570-C573 WeakPolarHBondContact O-CB 3.48Å; H570-C573 PolarHBondContact O-N 3.12Å
571R85.3Confident74.6Confident132 Ų13253.7 Ų53.750%0.49830%0.296SS..G310 helixtrans-51.3-38.3172.2-133.9173.8-179.7177.8-2.5113E559 L560 C573 E574E559-R571 PolarHBondContact OE2-N 3.2Å; L560-R571 HydrophobicContact CD1-CG 4.15Å; L560-R571 HydrophobicContact CG-CG 4.12Å; R571-C573 VanDerWaalsContact C-N 3.27Å; R571-C573 PolarHBondContact O-N 3.14Å; R571-E574 PolarHBondContact O-N 2.73Å
572N83.5Confident73Confident150 Ų15053.8 Ų53.880%0.80230%0.297SS*.G310 helixtrans-78.2-8.2179.5-57.426.9000113.7H570H570-N572 PolarHBondContact O-N 2.81Å; H570-N572 VanDerWaalsContact O-N 3.15Å
573C84Confident71.2Confident14 Ų1459.1 Ų59.110%0.09532%0.316CS..G310 helixtrans-95-4.2177.4-68.50000112.7H547 I569 H570 R571 A576 D577H547-C573 HydrophobicContact CB-CB 3.88Å; I569-C573 HydrophobicContact CB-CB 4.25Å; H570-C573 HydrophobicContact CB-CB 4.24Å; H570-C573 WeakPolarHBondContact O-CB 3.48Å; H570-C573 PolarHBondContact O-N 3.12Å; R571-C573 VanDerWaalsContact C-N 3.27Å; R571-C573 PolarHBondContact O-N 3.14Å; C573-A576 PolarHBondContact O-N 2.99Å; C573-D577 PolarHBondContact O-N 3.06Å
574E80.1Confident69.4Low84 Ų8460.8 Ų60.839%0.39332%0.318SS..THydrogen-bonded Turntrans-59.9-50.6-178.2-171.2167.9-155.900111.9F534 L560 I569 R571 A576 D577F534-E574 HydrophobicContact CD2-CG 4.19Å; L560-E574 HydrophobicContact CD1-CB 3.62Å; L560-E574 VanDerWaalsContact CD1-CD 3.49Å; L560-E574 HydrophobicContact CD1-CG 3.91Å; L560-E574 WeakPolarHBondContact CD1-OE2 3.48Å; I569-E574 HydrophobicContact CD1-CB 4.18Å; R571-E574 PolarHBondContact O-N 2.73Å; E574-A576 PolarHBondContact O-N 3.36Å; E574-D577 PolarHBondContact O-N 2.98Å
575D68.1Low67.9Low162 Ų16266.5 Ų66.587%0.86634%0.337SS*.THydrogen-bonded Turntrans-69.9-19.8-177.5-60-34.2000113.3
576A67.7Low65.8Low52 Ų5273 Ų7343%0.4337%0.371SS..THydrogen-bonded Turntrans-89.5-16.4178.800000112.7H547 C573 E574 S578H547-A576 VanDerWaalsContact CE1-CB 3.45Å; H547-A576 WeakPolarHBondContact CE1-CB 3.32Å; H547-A576 WeakPolarHBondContact NE2-CB 2.88Å; H547-A576 PolarHBondContact NE2-O 2.82Å; C573-A576 PolarHBondContact O-N 2.99Å; E574-A576 PolarHBondContact O-N 3.36Å; A576-S578 PolarHBondContact O-N 3.29Å
577D56.3Low63.5Low31 Ų3177.3 Ų77.317%0.16640%0.396CS..  trans-86.2103.4-172.6-155.7-3.6000111.9I569 C573 E574 S579I569-D577 HydrophobicContact CD1-CB 4.47Å; C573-D577 PolarHBondContact O-N 3.06Å; E574-D577 PolarHBondContact O-N 2.98Å; D577-S579 VanDerWaalsContact CG-OG 3.31Å; D577-S579 VanDerWaalsContact OD1-CB 3.31Å; D577-S579 WeakPolarHBondContact OD1-CB 2.85Å; D577-S579 PolarHBondContact OD1-N 3.19Å; D577-S579 PolarHBondContact OD1-OG 2.85Å; D577-S579 PolarHBondContact OD2-OG 3.23Å
578S58.2Low60.8Low122 Ų12284.6 Ų84.685%0.85343%0.428SS*.  trans-95.512.8174.8440000112.8A576A576-S578 PolarHBondContact O-N 3.29Å
579S58.7Low58Low30 Ų3088.5 Ų88.521%0.2145%0.453CS..  trans-79138.8-177.765.80000112.6H532 D577H532-S579 PolarHBondContact CD2-O 3.21Å; H532-S579 VanDerWaalsContact CD2-O 3.23Å; H532-S579 PolarHBondContact NE2-O 3.42Å; D577-S579 VanDerWaalsContact CG-OG 3.31Å; D577-S579 VanDerWaalsContact OD1-CB 3.31Å; D577-S579 WeakPolarHBondContact OD1-CB 2.85Å; D577-S579 PolarHBondContact OD1-N 3.19Å; D577-S579 PolarHBondContact OD1-OG 2.85Å; D577-S579 PolarHBondContact OD2-OG 3.23Å
580A56.7Low55Low33 Ų3394.5 Ų94.527%0.27349%0.492SS..  trans-77.2137.6-177.300000111.7F582A580-F582 HydrophobicContact CB-CE2 4.34Å; A580-F582 WeakPolarHBondContact O-CD2 3.11Å; A580-F582 WeakPolarHBondContact O-CE2 3.42Å; A580-F582 PolarHBondContact O-N 3.34Å
581C63.7Low52.3Low0 Ų0100.4 Ų100.40%052%0.519CS..  trans-81.8111.8-179.1-1770000113S530 H532 C562S530-C581 WeakPolarHBondContact O-CB 3.22Å; S530-C581 PolarHBondContact O-N 3.46Å; H532-C581 HydrophobicContact CB-CB 4.36Å; H532-C581 WeakPolarHBondContact ND1-CB 3.44Å; H532-C581 PolarHBondContact ND1-SG 2.88Å; H532-C581 VanDerWaalsContact ND1-SG 3.44Å; C562-C581 PolarHBondContact SG-SG 3.47Å
582F53Low49.5Very low95 Ų95105 Ų10542%0.41754%0.536SS..  trans-86.6112.7176.2-70.4-88.3000111.6Q526 C565 A580Q526-F582 VanDerWaalsContact C-CD1 3.45Å; Q526-F582 HydrophobicContact CB-CD1 3.47Å; Q526-F582 VanDerWaalsContact CB-CD1 3.47Å; Q526-F582 HydrophobicContact CB-CE1 3.64Å; Q526-F582 HydrophobicContact CG-CD1 3.81Å; Q526-F582 HydrophobicContact CG-CE1 4.36Å; Q526-F582 WeakPolarHBondContact O-CD1 3.32Å; Q526-F582 WeakPolarHBondContact O-CE1 3.45Å; C565-F582 WeakPolarHBondContact CB-O 3.47Å; A580-F582 HydrophobicContact CB-CE2 4.34Å; A580-F582 WeakPolarHBondContact O-CD2 3.11Å; A580-F582 WeakPolarHBondContact O-CE2 3.42Å; A580-F582 PolarHBondContact O-N 3.34Å
583R47Very low46.8Very low116 Ų116109.8 Ų109.844%0.43854%0.543SS..PPolyproline II helixtrans-70.1135-178.9-102.7-173.1-179.8174.17.7113.3D564D564-R583 HydrophobicContact CB-CG 4.09Å; D564-R583 IonicContact OD1-CZ 3.48Å; D564-R583 IonicContact OD1-NE 2.72Å; D564-R583 PolarHBondContact OD1-NE 3.05Å; D564-R583 IonicContact OD1-NH2 3.63Å
584R40.2Very low44.1Very low128 Ų128120 Ų12048%0.48358%0.58SS.*PPolyproline II helixtrans-64.3128.2168.3-69.7177.3175.9-155.5-5.4111.4E417 C565E417-R584 IonicContact OE2-NH2 3.6Å; E417-R584 PolarHBondContact OE2-NH2 3.32Å; C565-R584 PolarHBondContact O-NE 3.35Å
585R34.5Very low41.4Very low156 Ų156121.4 Ų121.459%0.58960%0.599SS**SBendtrans-91.6124.2154.7-77.8-173.9-171.3-176.51108.2D497D497-R585 IonicContact OD2-NH1 3.75Å
586N28.5Very low39.5Very low146 Ų146123.7 Ų123.778%0.78160%0.595SS**  trans100.470.2172.3-56.2-33.2000118
587T28.6Very low37.5Very low104 Ų104126.6 Ų126.664%0.63861%0.613SS**  trans-146.678.5139.849.90000110
588E24.2Very low36Very low175 Ų175131.7 Ų131.782%0.81864%0.636SS**  trans-102.2118.6146.7-84.5-166.6163.300107.2
589P25.2Very low34.4Very low90 Ų90132.2 Ų132.258%0.58463%0.634SS**  trans-69.4155.1161.529.6-27.2000108.4H591P589-H591 PolarHBondContact O-N 2.7Å
590P25.7Very low33Very low126 Ų126136.5 Ų136.582%0.81866%0.661SS**  trans-63.2106.9176.927.7-31.1000107.4R592P590-R592 PolarHBondContact O-N 3.09Å
591H29.5Very low31.6Very low162 Ų162140.1 Ų140.175%0.7568%0.684SS**  trans-59.3108171.2-94.5-75.1000107.5P589 R593P589-H591 PolarHBondContact O-N 2.7Å; H591-R593 PolarHBondContact O-N 2.99Å
592R25.5Very low30Very low228 Ų228146.6 Ų146.686%0.8672%0.724SS**  trans-42.3116.2156.4-79.7-179.8175.3-167.4-1.2107P590 R594P590-R592 PolarHBondContact O-N 3.09Å; R592-R594 PolarHBondContact O-N 2.96Å
593R26.7Very low28.8Very low251 Ų251146.4 Ų146.495%0.94774%0.74SS**  trans-56.494.6155.3-78.8-175.1175.1-170.5-1.5106.1H591 S595H591-R593 PolarHBondContact O-N 2.99Å; R593-S595 PolarHBondContact O-N 3.22Å
594R27.5Very low28.2Very low228 Ų228146.1 Ų146.186%0.8675%0.753SS**  trans-68.9106.4161-85.9-176.2174-176-1.9105.2R592 R596R592-R594 PolarHBondContact O-N 2.96Å; R594-R596 PolarHBondContact O-N 2.86Å
595S24.5Very low27.5Very low114 Ų114149.7 Ų149.780%0.79777%0.772SS**  trans-47.6108.3159.5-33.90000107.3R593 S597R593-S595 PolarHBondContact O-N 3.22Å; S595-S597 PolarHBondContact O-N 2.98Å
596R27.9Very low27.3Very low210 Ų210147.1 Ų147.179%0.79278%0.784SS**  trans-74.3102.6163.4-121-176-174.5-151.79.4105.4R594 E598R594-R596 PolarHBondContact O-N 2.86Å; R596-E598 IonicContact CZ-OE1 2.65Å; R596-E598 IonicContact NE-OE1 2.87Å; R596-E598 IonicContact NH1-OE1 3.74Å; R596-E598 PolarHBondContact NH1-OE1 2.96Å; R596-E598 PolarHBondContact O-N 3.28Å; R596-E598 VanDerWaalsContact O-N 3.17Å
597S25.3Very low27.3Very low113 Ų113144.2 Ų144.279%0.7978%0.78SS**  trans-65.999.2159.749.40000107.7S595S595-S597 PolarHBondContact O-N 2.98Å
598E24.2Very low27.5Very low139 Ų139146.2 Ų146.265%0.6579%0.787SS**  trans-119.6104.4159-80.4174-159.500106.7R596R596-E598 IonicContact CZ-OE1 2.65Å; R596-E598 IonicContact NE-OE1 2.87Å; R596-E598 IonicContact NH1-OE1 3.74Å; R596-E598 PolarHBondContact NH1-OE1 2.96Å; R596-E598 PolarHBondContact O-N 3.28Å; R596-E598 VanDerWaalsContact O-N 3.17Å
599T26.2Very low27.6Very low133 Ų133144.6 Ų144.682%0.81678%0.784SS**  trans-152.5144.9155.235.10000104.9
600P29.5Very low27.8Very low119 Ų119149.7 Ų149.777%0.77379%0.793SS**  -148.5177.457.637.2-15.3000118
601S26.6Very low28Very low109 Ų109151.7 Ų151.776%0.76279%0.791SS**  trans86.7122172.5-67.20000114.3
602T30.6Very low27.7Very low137 Ų137151.3 Ų151.384%0.8479%0.79SS**  cis-165.113824.9-2.10000108
603A27.9Very low28Very low90 Ų90147 Ų14774%0.74478%0.779SS**  trans-82.4170164.400000109
604P32.9Very low28.1Very low111 Ų111142.9 Ų142.972%0.72177%0.771SS**  cis-155.2159.849.637.1-12.9000120.3
605K27.1Very low28.1Very low203 Ų203137.5 Ų137.588%0.88377%0.768SS**  trans69.5140.2136.6-73.1175.3-178.6-175.90124
606A30.2Very low28.4Very low102 Ų102137.2 Ų137.284%0.84377%0.773SS**  trans98.7139.415200000116
607A28.3Very low28.5Very low84 Ų84130.5 Ų130.569%0.69477%0.768SS**  cis-173.8166.4-14.600000107.9
608N31.8Very low28.9Very low146 Ų146133.7 Ų133.778%0.78178%0.775SS**  trans86.3107.8166.4-57.2-11.9000117.1
609N25.8Very low29.1Very low142 Ų142130.5 Ų130.576%0.75978%0.78SS**  80.9131.462.7-82.1-0.6000114.8
610Y30.1Very low29.1Very low197 Ų197130.6 Ų130.677%0.77378%0.78SS**  trans142.198.4150.8-73.2-62.4000108.7
611E29.1Very low29Very low168 Ų168131.7 Ų131.779%0.78578%0.779SS**  72.7142.297.2-79.2-180-177.800112.8
612E24.8Very low29Very low154 Ų154134.1 Ų134.172%0.7278%0.776SS**  cis-173.8165.6-18.8-162.6173.1-162.400105.1
613H31.3Very low29Very low137 Ų137135 Ų13563%0.63477%0.77SS**  trans112.1105.8162.4-67.9-76.8000120.5
614Q27.9Very low28.9Very low165 Ų165136.7 Ų136.777%0.77177%0.766SS**  60.4131.9125.9-66.81727.500118.2
615S27.9Very low28.7Very low115 Ų115141.5 Ų141.580%0.80477%0.77SS**  cis-177.1163.524.934.80000111.1
616A31.8Very low28.7Very low108 Ų108143.3 Ų143.389%0.89377%0.771SS**  trans85.1115.5157.800000120.9
617G29.4Very low28.5Very low68 Ų68142.4 Ų142.470%0.70177%0.771SS**  127.275.4124.900000120.3
618I33.7Very low28.5Very low180 Ų180149.1 Ų149.192%0.92378%0.779SS**  trans65.8106.4135-54.3166.3000119.1
619G29Very low28.4Very low73 Ų73154.2 Ų154.275%0.75379%0.787SS**  98.586.4109.600000119.5
620T25.8Very low28.5Very low135 Ų135158.2 Ų158.283%0.82879%0.791SS**  trans-72.5139.1149-14.80000109.5
621L27.7Very low28.3Very low141 Ų141156.5 Ų156.574%0.73880%0.795SS**  trans160.5133.9131-85.4170.4000115.1
622F25Very low28.5Very low160 Ų160157.8 Ų157.870%0.70280%0.801SS**  trans65126142.3-74.4-62000124.5
623H30.6Very low28.6Very low156 Ų156157.3 Ų157.372%0.72280%0.803SS**  148.6110.1115.7-84.4-55.8000112
624L27.6Very low28.6Very low126 Ų126159.2 Ų159.266%0.6682%0.818SS**  91.3127.588.3-86.8177.2000116.1
625R28.7Very low28.6Very low211 Ų211155.8 Ų155.880%0.79682%0.818SS**  trans66.8111.4141.1-80.4172.2174.7-176.6-2.3119.2
626R25.7Very low28.9Very low242 Ų242157 Ų15791%0.91382%0.82SS**  70.3113.785.7-82.3-168.6178.8-179.42.4114.4
627G27.5Very low29Very low82 Ų82156.8 Ų156.885%0.84582%0.819SS**  trans-149.291.715700000110.6
628R27.8Very low29.1Very low225 Ų225158.1 Ų158.185%0.84982%0.824SS**  trans-71140.1164.8-86175.9167.4171.2-4.1108.8
629R28.4Very low29.4Very low254 Ų254155.6 Ų155.696%0.95882%0.819SS**  trans-126.1118.3146.7-85.4-172.7177.4-179.1-0.4109.1
630R28.8Very low29.5Very low225 Ų225156.8 Ų156.885%0.84982%0.821SS**  trans-97.9152167.2-104.9-175.5175.4-177.5-3.3108.1
631L26.4Very low29.7Very low161 Ų161155.6 Ų155.684%0.84383%0.826SS**  trans-40.6144168.5-68.7136.2000115
632Q32.1Very low29.9Very low196 Ų196152 Ų15292%0.91682%0.822SS**  trans-149.5132.2141.8-117.5172.4300110.3
633N28.5Very low30.1Very low144 Ų144149.7 Ų149.777%0.7783%0.826SS**  trans-65151.9174.3-70.4-28.4000111.5
634N30.9Very low30.1Very low176 Ų176148.9 Ų148.994%0.94183%0.826SS**  trans-144.2132.3136.7-100.9-11.6000109.1
635A27.8Very low30.2Very low93 Ų93151.5 Ų151.577%0.76984%0.835SS**  trans-121.7135.9178.800000109.1
636T34.4Very low30.3Very low140 Ų140146.7 Ų146.786%0.85983%0.834SS**  trans-162.5104154.7410000106.1
637A32.4Very low30.6Very low104 Ų104140.8 Ų140.886%0.8683%0.83SS**  58.4135.298.400000115.2
638A31.9Very low30.9Very low97 Ų97142.8 Ų142.880%0.80283%0.828SS**  cis-166.4-158.9-14.500000106.2
639P40.2Very low31Very low126 Ų126141.7 Ų141.782%0.81883%0.829SS**  -120.6171.7-119.434.7-13.8000116.7
640A32.5Very low30.9Very low98 Ų98138.1 Ų138.181%0.8183%0.828SS**  trans173.7128.4138.600000114.7
641A29.9Very low30.9Very low111 Ų111138.4 Ų138.492%0.91783%0.829SS**  trans53.6129.9136.600000124
642G31.1Very low31Very low65 Ų65136.2 Ų136.267%0.6783%0.827SS**  trans13186.1152.600000114
643S28.7Very low30.8Very low111 Ų111138 Ų13878%0.77683%0.827SS**  44.6124.399.360.50000113.6
644L31.4Very low30.7Very low139 Ų139135.9 Ų135.973%0.72882%0.824SS**  cis-160.9159.837.4-95109.6000111
645E29.6Very low30.5Very low182 Ų182137.2 Ų137.285%0.8582%0.824SS**  trans69.8103145.3-74.1173.6-177.500121.5
646S30.9Very low30.6Very low110 Ų110136.7 Ų136.777%0.76983%0.828SS**  trans-117115.6158.559.70000111.1
647S30.6Very low30.1Very low118 Ų118133.6 Ų133.683%0.82582%0.824SS**  trans59.8148.9136.8-61.90000122.8
648P34.6Very low30.1Very low124 Ų124137.6 Ų137.681%0.80583%0.825SS**PPolyproline II helixtrans-102.1162.5-147.238.1-31.1000115.8
649K30Very low29.9Very low201 Ų201139 Ų13987%0.87483%0.828SS**PPolyproline II helixtrans-59.1136.7-178-67.3172.5175.5175.20114.2R651K649-R651 PolarHBondContact O-N 3.31Å
650L25.8Very low29.4Very low180 Ų180143.8 Ų143.894%0.94283%0.831SS**PPolyproline II helixtrans-51.9128.9152.9-94.581.9000109.9
651R28.8Very low29.7Very low230 Ų230148.3 Ų148.387%0.86885%0.852SS**  trans-121.4114.7158.8-95.2-174175.5-179.9-1109.2K649K649-R651 PolarHBondContact O-N 3.31Å
652S28.5Very low29.7Very low115 Ų115150.2 Ų150.280%0.80485%0.849SS**  trans-63.6134.1161.147.40000110.1
653Y28.2Very low29.6Very low234 Ų234154.6 Ų154.692%0.91886%0.858SS**  trans-96.9120.2167.5-93.6-89.2000109.4
654S27.4Very low29.7Very low99 Ų99157.1 Ų157.169%0.69286%0.863SS**  trans-126.7129.3162.351.90000107.8
655E26.2Very low29.6Very low204 Ų204158.1 Ų158.195%0.95387%0.871SS**  trans42.7128151-63.4-179.8165.600121.3
656G29.5Very low29.6Very low82 Ų82156.6 Ų156.685%0.84587%0.872SS**  trans169.8102.8162.600000112.2
657G24.6Very low29.5Very low76 Ų76159.7 Ų159.778%0.78488%0.879SS**  trans-86.2167.1172.500000113.7
658Q31.9Very low29.4Very low187 Ų187162.7 Ų162.787%0.87488%0.883SS**  trans-175.5112.2151.3-102.7171.2-000107.4
659C28.1Very low29Very low127 Ų127165.7 Ų165.786%0.85889%0.889SS**  70.5112.197.4-70.10000114.7
660Y28.7Very low29Very low226 Ų226162.8 Ų162.889%0.88689%0.89SS**  trans-79.1157.8165.7-83.2-91.4000111
661P39.8Very low29.2Very low193 Ų193161.2 Ų161.2100%1.25389%0.885SS**  trans-79.70137.721.7-7.5000112.1

Retrieved 661 of 661 residues in 1837.2 ms (Link to these results)

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