A0A087XC11_POEFO Loading...

Signal transducing adaptor molecule (SH3 domain and ITAM motif) 1

AlphaFold DB , UniProt , Accession A0A087XC11, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 512 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
1M43Very low74.4Confident225 Ų225109.6 Ų109.6100%1.10859%0.59SS**  0115.90-67.6-94.3-106.600106.6L3M1-L3 PolarHBondContact O-N 3.49Å
2P48.4Very low76.1Confident98 Ų98103 Ų10364%0.63656%0.555SS**  trans-70.712817830.8-31.4000108.9F4P2-F4 VanDerWaalsContact C-N 3.26Å; P2-F4 HydrophobicContact CB-CD2 3.67Å; P2-F4 HydrophobicContact CB-CE2 3.32Å; P2-F4 HydrophobicContact CB-CZ 3.95Å; P2-F4 HydrophobicContact CG-CD2 3.76Å; P2-F4 HydrophobicContact CG-CE2 3.53Å; P2-F4 PolarHBondContact O-N 3.33Å
3L48.9Very low77.7Confident174 Ų17495.1 Ų95.191%0.91151%0.512SS*.  trans-78.673.4178-66.9168.5000109.2M1M1-L3 PolarHBondContact O-N 3.49Å
4F68.8Low78.9Confident170 Ų17096.6 Ų96.675%0.74651%0.514SS*.  trans-89.2112.5170.5-63.9-62.2000108.9P2 T6P2-F4 VanDerWaalsContact C-N 3.26Å; P2-F4 HydrophobicContact CB-CD2 3.67Å; P2-F4 HydrophobicContact CB-CE2 3.32Å; P2-F4 HydrophobicContact CB-CZ 3.95Å; P2-F4 HydrophobicContact CG-CD2 3.76Å; P2-F4 HydrophobicContact CG-CE2 3.53Å; P2-F4 PolarHBondContact O-N 3.33Å; F4-T6 PolarHBondContact O-N 2.99Å; F4-T6 VanDerWaalsContact O-N 3.14Å
5T68.9Low80Confident142 Ų14297.3 Ų97.387%0.87151%0.511SS*.  trans-66.1108.1163.454.60000107.2N7T5-N7 PolarHBondContact O-N 3.3Å
6T81.8Confident80.9Confident126 Ų12691.7 Ų91.777%0.77348%0.483SS*.  trans-70.8124.5178.142.20000109.7F4F4-T6 PolarHBondContact O-N 2.99Å; F4-T6 VanDerWaalsContact O-N 3.14Å
7N87.9Confident81.7Confident11 Ų1186.3 Ų86.36%0.05946%0.455CS..  trans-73.8131.4176.4174.9-39.6000109T5 F9 D10 E45T5-N7 PolarHBondContact O-N 3.3Å; N7-F9 PolarHBondContact O-N 2.86Å; N7-F9 VanDerWaalsContact O-N 3.13Å; N7-F9 WeakPolarHBondContact OD1-CB 3.46Å; N7-F9 PolarHBondContact OD1-N 3.25Å; N7-D10 PolarHBondContact O-N 3.03Å; N7-E45 WeakPolarHBondContact ND2-CB 2.92Å; N7-E45 PolarHBondContact ND2-O 3.24Å; N7-E45 PolarHBondContact ND2-OE2 3.41Å
8P90.1Very high82.5Confident80 Ų8083.2 Ų83.252%0.51944%0.441SS..THydrogen-bonded Turntrans-68.9-9.4-17328.1-35.5000114.4K35P8-K35 PolarHBondContact O-NZ 2.93Å
9F93.5Very high83.1Confident5 Ų585.4 Ų85.42%0.02245%0.449CS..THydrogen-bonded Turntrans-98.6-16177.2-63.2-88.9000112.9N7 Q11 D12 V13 I32 K35 I36 E45 C46N7-F9 PolarHBondContact O-N 2.86Å; N7-F9 VanDerWaalsContact O-N 3.13Å; N7-F9 WeakPolarHBondContact OD1-CB 3.46Å; N7-F9 PolarHBondContact OD1-N 3.25Å; F9-Q11 VanDerWaalsContact C-N 3.28Å; F9-Q11 PolarHBondContact O-N 3.42Å; F9-D12 PolarHBondContact O-N 3.41Å; F9-V13 HydrophobicContact CB-CG2 4.09Å; F9-V13 VanDerWaalsContact O-CB 3.3Å; F9-V13 WeakPolarHBondContact O-CB 3.42Å; F9-V13 WeakPolarHBondContact O-CG2 3.42Å; F9-V13 PolarHBondContact O-N 3.48Å; F9-I32 HydrophobicContact CD1-CG2 4.47Å; F9-K35 HydrophobicContact CD1-CD 4.1Å; F9-K35 HydrophobicContact CE1-CB 3.95Å; F9-K35 HydrophobicContact CE1-CD 3.82Å; F9-K35 HydrophobicContact CE1-CG 3.73Å; F9-K35 HydrophobicContact CZ-CG 4.19Å; F9-I36 HydrophobicContact CE1-CG1 3.85Å; F9-I36 HydrophobicContact CZ-CG1 4.33Å; F9-E45 HydrophobicContact CD2-CB 3.94Å; F9-E45 HydrophobicContact CE2-CB 4.12Å; F9-C46 HydrophobicContact CB-CB 4.46Å; F9-C46 HydrophobicContact CD1-CB 3.89Å; F9-C46 HydrophobicContact CD2-CB 4.11Å; F9-C46 HydrophobicContact CE1-CB 4.12Å; F9-C46 HydrophobicContact CE2-CB 4.36Å; F9-C46 HydrophobicContact CG-CB 3.88Å; F9-C46 HydrophobicContact CZ-CB 4.36Å
10D93.6Very high83.5Confident45 Ų4589.1 Ų89.124%0.24147%0.465CS..Hα-helixtrans-56.1-41.9-173.2-78.8-10.9000112.2N7 E14 S49 R52N7-D10 PolarHBondContact O-N 3.03Å; D10-E14 WeakPolarHBondContact O-CB 3.35Å; D10-E14 PolarHBondContact O-N 3.06Å; D10-S49 WeakPolarHBondContact CA-OG 3.14Å; D10-S49 VanDerWaalsContact OD1-CB 3.28Å; D10-S49 WeakPolarHBondContact OD1-CB 3.34Å; D10-S49 PolarHBondContact OD1-OG 3.06Å; D10-R52 IonicContact OD1-NH1 3.6Å; D10-R52 IonicContact OD2-NH1 3.29Å; D10-R52 PolarHBondContact OD2-NH1 3.24Å
11Q93.8Very high83.9Confident130 Ų13086.8 Ų86.861%0.60745%0.454SS*.Hα-helixtrans-67.2-43.3-178.8-171.8177.836.200113F9 K15F9-Q11 VanDerWaalsContact C-N 3.28Å; F9-Q11 PolarHBondContact O-N 3.42Å; Q11-K15 WeakPolarHBondContact O-CG 3.43Å; Q11-K15 PolarHBondContact O-N 2.98Å; Q11-K15 VanDerWaalsContact O-N 3.17Å
12D94.6Very high86.1Confident30 Ų3083 Ų8316%0.1644%0.444CS..Hα-helixtrans-75.8-40.4-176.4-58.8-36.8000110.3F9 E14 K15 A16 L28 I32 K35F9-D12 PolarHBondContact O-N 3.41Å; D12-E14 PolarHBondContact O-N 2.7Å; D12-K15 PolarHBondContact O-N 3.13Å; D12-A16 WeakPolarHBondContact O-CB 3.3Å; D12-A16 PolarHBondContact O-N 2.9Å; D12-L28 HydrophobicContact CB-CD1 4.49Å; D12-I32 HydrophobicContact CB-CD1 4.03Å; D12-I32 HydrophobicContact CB-CG1 3.83Å; D12-K35 IonicContact OD2-NZ 2.94Å; D12-K35 PolarHBondContact OD2-NZ 3.08Å
13V95.9Very high88Confident0 Ų081.8 Ų81.80%044%0.442CS..Hα-helixtrans-63-40.8174.6172.40000111F9 A16 T17 I32 I50 R53 L68F9-V13 HydrophobicContact CB-CG2 4.09Å; F9-V13 VanDerWaalsContact O-CB 3.3Å; F9-V13 WeakPolarHBondContact O-CB 3.42Å; F9-V13 WeakPolarHBondContact O-CG2 3.42Å; F9-V13 PolarHBondContact O-N 3.48Å; V13-A16 PolarHBondContact O-N 2.69Å; V13-T17 WeakPolarHBondContact O-CB 3.46Å; V13-T17 WeakPolarHBondContact O-CG2 3.31Å; V13-T17 PolarHBondContact O-N 3.28Å; V13-T17 PolarHBondContact O-OG1 3.09Å; V13-I32 HydrophobicContact CG2-CD1 4.49Å; V13-I50 HydrophobicContact CG1-CG1 4.3Å; V13-I50 HydrophobicContact CG2-CG1 4.31Å; V13-R53 HydrophobicContact CG1-CG 3.74Å; V13-L68 HydrophobicContact CG1-CD2 4.21Å; V13-L68 HydrophobicContact CG2-CD2 4.15Å
14E95.2Very high90Very high116 Ų11678.1 Ų78.154%0.54242%0.42SS..Hα-helixtrans-64.9-40.3176.1-174.8174-179.100112.2D10 D12 T17 S18D10-E14 WeakPolarHBondContact O-CB 3.35Å; D10-E14 PolarHBondContact O-N 3.06Å; D12-E14 PolarHBondContact O-N 2.7Å; E14-T17 CarbonylContact O-C 3.49Å; E14-T17 PolarHBondContact O-N 3.1Å; E14-S18 WeakPolarHBondContact O-CA 3.22Å; E14-S18 PolarHBondContact O-N 3.27Å
15K94.9Very high91.1Very high107 Ų10774 Ų7447%0.46541%0.406SS..Hα-helixtrans-64.3-45.8174.3-73.7171.9-174.6170.50112Q11 D12 T17 S18 N21 L28Q11-K15 WeakPolarHBondContact O-CG 3.43Å; Q11-K15 PolarHBondContact O-N 2.98Å; Q11-K15 VanDerWaalsContact O-N 3.17Å; D12-K15 PolarHBondContact O-N 3.13Å; K15-T17 PolarHBondContact O-N 3.44Å; K15-S18 PolarHBondContact O-N 2.82Å; K15-N21 PolarHBondContact O-ND2 2.76Å; K15-L28 HydrophobicContact CB-CD2 3.7Å
16A94.2Very high92.2Very high8 Ų870 Ų707%0.06638%0.375CS..Hα-helixtrans-64.5-30.317900000112.4D12 V13 N21 L28 I32 Q64 L68D12-A16 WeakPolarHBondContact O-CB 3.3Å; D12-A16 PolarHBondContact O-N 2.9Å; V13-A16 PolarHBondContact O-N 2.69Å; A16-N21 PolarHBondContact O-ND2 3.43Å; A16-N21 VanDerWaalsContact O-ND2 3.13Å; A16-L28 HydrophobicContact CB-CD2 3.84Å; A16-L28 HydrophobicContact CB-CG 4.18Å; A16-I32 HydrophobicContact CB-CD1 3.89Å; A16-Q64 PolarHBondContact O-NE2 2.99Å; A16-L68 HydrophobicContact CB-CD2 4.35Å
17T95.9Very high92.7Very high0 Ų066 Ų660%036%0.359CS..THydrogen-bonded Turntrans-111.429.2-177.966.60000112.5V13 E14 K15 R53 V61 Q64 A65 L68V13-T17 WeakPolarHBondContact O-CB 3.46Å; V13-T17 WeakPolarHBondContact O-CG2 3.31Å; V13-T17 PolarHBondContact O-N 3.28Å; V13-T17 PolarHBondContact O-OG1 3.09Å; E14-T17 CarbonylContact O-C 3.49Å; E14-T17 PolarHBondContact O-N 3.1Å; K15-T17 PolarHBondContact O-N 3.44Å; T17-R53 PolarHBondContact O-NH2 3.4Å; T17-R53 PolarHBondContact OG1-NE 3.48Å; T17-V61 WeakPolarHBondContact O-CG1 3.21Å; T17-V61 WeakPolarHBondContact O-CG2 3.39Å; T17-Q64 HydrophobicContact CG2-CB 4.13Å; T17-A65 HydrophobicContact CG2-CB 3.87Å; T17-L68 HydrophobicContact CG2-CD2 4.38Å
18S94.7Very high93Very high31 Ų3166.9 Ų66.922%0.21736%0.363CS..  trans-71.9138.8-179.7176.20000110.6E14 K15 M20 N21 Q64E14-S18 WeakPolarHBondContact O-CA 3.22Å; E14-S18 PolarHBondContact O-N 3.27Å; K15-S18 PolarHBondContact O-N 2.82Å; S18-M20 PolarHBondContact O-N 2.87Å; S18-M20 VanDerWaalsContact O-N 3.14Å; S18-M20 PolarHBondContact OG-N 3.14Å; S18-N21 PolarHBondContact N-ND2 3.38Å; S18-N21 WeakPolarHBondContact O-CB 3.33Å; S18-N21 PolarHBondContact O-N 2.86Å; S18-Q64 PolarHBondContact O-NE2 3.24Å; S18-Q64 PolarHBondContact O-OE1 3.05Å
19E93.6Very high93.2Very high125 Ų12563.4 Ų63.458%0.58434%0.34SS*.THydrogen-bonded Turntrans-60.5-21.2174.863.6-174.2-179.700112.8N21 V61E19-N21 VanDerWaalsContact C-N 3.32Å; E19-V61 HydrophobicContact CB-CG2 3.84Å
20M92.3Very high93.2Very high158 Ų15866.4 Ų66.478%0.77836%0.356SS*.THydrogen-bonded Turntrans-81.9-9.8178.8-59.3-170.471.800113.6S18 T22S18-M20 PolarHBondContact O-N 2.87Å; S18-M20 VanDerWaalsContact O-N 3.14Å; S18-M20 PolarHBondContact OG-N 3.14Å; M20-T22 PolarHBondContact O-N 2.82Å
21N91.9Very high93.2Very high41 Ų4169.1 Ų69.122%0.21937%0.37CS..  trans-74.2126.7-177.6-66.5-5.5000109.9K15 A16 S18 E19 H60 Q64K15-N21 PolarHBondContact O-ND2 2.76Å; A16-N21 PolarHBondContact O-ND2 3.43Å; A16-N21 VanDerWaalsContact O-ND2 3.13Å; S18-N21 PolarHBondContact N-ND2 3.38Å; S18-N21 WeakPolarHBondContact O-CB 3.33Å; S18-N21 PolarHBondContact O-N 2.86Å; E19-N21 VanDerWaalsContact C-N 3.32Å; N21-H60 PolarHBondContact O-NE2 3.43Å; N21-Q64 VanDerWaalsContact CB-NE2 3.26Å; N21-Q64 PolarHBondContact ND2-NE2 2.82Å
22T88.9Confident93.3Very high146 Ų14663 Ų6390%0.89634%0.342SS*.SBendtrans-91.3-15.7176.6550000113M20M20-T22 PolarHBondContact O-N 2.82Å
23A89.3Confident93.3Very high72 Ų7262 Ų6260%0.59534%0.337SS*.SBendtrans-148.1168.5179.500000110.1
24E90.3Very high93.1Very high97 Ų9767.1 Ų67.145%0.45336%0.364SS..  trans-79122177.8-65.3156.8162.100110.2W26 T67E24-W26 PolarHBondContact O-N 3.21Å; E24-W26 PolarHBondContact OE2-NE1 2.92Å; E24-T67 HydrophobicContact CG-CG2 4.5Å
25D90.9Very high93Very high84 Ų8464.7 Ų64.745%0.44935%0.352SS..  trans-85.584.1174.7-171.3-14.7000109.7G27 L28 I29D25-G27 PolarHBondContact O-N 2.91Å; D25-G27 PolarHBondContact OD1-N 2.82Å; D25-L28 HydrophobicContact CB-CB 4.13Å; D25-L28 PolarHBondContact O-N 2.74Å; D25-L28 PolarHBondContact OD1-N 2.97Å; D25-L28 VanDerWaalsContact OD1-N 3.15Å; D25-I29 VanDerWaalsContact O-CG1 3.3Å; D25-I29 WeakPolarHBondContact O-CG1 3.08Å; D25-I29 PolarHBondContact O-N 2.78Å
26W92.5Very high92.9Very high59 Ų5959.6 Ų59.622%0.22333%0.33CS..Hα-helixtrans-62.2-29.2-178.8-74.4101.7000113.4E24 I29 L30 T67 A71 A155 P157E24-W26 PolarHBondContact O-N 3.21Å; E24-W26 PolarHBondContact OE2-NE1 2.92Å; W26-I29 HydrophobicContact CD2-CD1 4.25Å; W26-I29 HydrophobicContact CE3-CB 4.31Å; W26-I29 HydrophobicContact CE3-CD1 4.05Å; W26-I29 HydrophobicContact CE3-CG2 4.05Å; W26-I29 HydrophobicContact CZ3-CD1 4.24Å; W26-I29 HydrophobicContact CZ3-CG2 4.02Å; W26-I29 PolarHBondContact O-N 2.95Å; W26-L30 WeakPolarHBondContact O-CB 3.46Å; W26-L30 VanDerWaalsContact O-CG 3.27Å; W26-L30 WeakPolarHBondContact O-CG 3.19Å; W26-L30 PolarHBondContact O-N 2.97Å; W26-T67 HydrophobicContact CH2-CG2 3.68Å; W26-T67 HydrophobicContact CZ2-CG2 3.91Å; W26-A71 HydrophobicContact CZ3-CB 4.13Å; W26-A155 HydrophobicContact CH2-CB 3.99Å; W26-A155 WeakPolarHBondContact CH2-O 3.43Å; W26-A155 WeakPolarHBondContact CZ3-O 3.41Å; W26-P157 HydrophobicContact CB-CG 4.4Å; W26-P157 VanDerWaalsContact CD2-CD 3.5Å; W26-P157 HydrophobicContact CD2-CG 3.45Å; W26-P157 VanDerWaalsContact CD2-CG 3.45Å; W26-P157 VanDerWaalsContact CE3-CD 3.44Å; W26-P157 HydrophobicContact CE3-CG 3.86Å; W26-P157 HydrophobicContact CG-CG 3.69Å; W26-P157 HydrophobicContact CZ2-CG 4.29Å; W26-P157 HydrophobicContact CZ3-CG 4.43Å
27G92.6Very high92.6Very high42 Ų4261.7 Ų61.743%0.43335%0.352SS..Hα-helixtrans-61.6-52.1173.800000110.7D25 I29 L30 D31D25-G27 PolarHBondContact O-N 2.91Å; D25-G27 PolarHBondContact OD1-N 2.82Å; G27-I29 VanDerWaalsContact C-N 3.34Å; G27-I29 PolarHBondContact O-N 2.84Å; G27-L30 PolarHBondContact O-N 3.33Å; G27-D31 PolarHBondContact O-N 3.5Å
28L93.9Very high92.3Very high29 Ų2969.1 Ų69.115%0.15239%0.387CS..Hα-helixtrans-64.4-36.6177.5-178.260.8000113D12 K15 A16 D25 D31 I32D12-L28 HydrophobicContact CB-CD1 4.49Å; K15-L28 HydrophobicContact CB-CD2 3.7Å; A16-L28 HydrophobicContact CB-CD2 3.84Å; A16-L28 HydrophobicContact CB-CG 4.18Å; D25-L28 HydrophobicContact CB-CB 4.13Å; D25-L28 PolarHBondContact O-N 2.74Å; D25-L28 PolarHBondContact OD1-N 2.97Å; D25-L28 VanDerWaalsContact OD1-N 3.15Å; L28-D31 PolarHBondContact O-N 2.8Å; L28-I32 HydrophobicContact CG-CD1 4.27Å; L28-I32 VanDerWaalsContact O-CG1 3.27Å; L28-I32 WeakPolarHBondContact O-CG1 3.36Å; L28-I32 PolarHBondContact O-N 2.96Å
29I94.6Very high92Very high6 Ų670.3 Ų70.33%0.03140%0.395CS..Hα-helixtrans-61.9-44.2176.9-71.1166.1000110.9D25 W26 G27 I32 C33 L68 A71D25-I29 VanDerWaalsContact O-CG1 3.3Å; D25-I29 WeakPolarHBondContact O-CG1 3.08Å; D25-I29 PolarHBondContact O-N 2.78Å; W26-I29 HydrophobicContact CD2-CD1 4.25Å; W26-I29 HydrophobicContact CE3-CB 4.31Å; W26-I29 HydrophobicContact CE3-CD1 4.05Å; W26-I29 HydrophobicContact CE3-CG2 4.05Å; W26-I29 HydrophobicContact CZ3-CD1 4.24Å; W26-I29 HydrophobicContact CZ3-CG2 4.02Å; W26-I29 PolarHBondContact O-N 2.95Å; G27-I29 VanDerWaalsContact C-N 3.34Å; G27-I29 PolarHBondContact O-N 2.84Å; I29-I32 PolarHBondContact O-N 3.13Å; I29-C33 PolarHBondContact O-N 3.46Å; I29-C33 VanDerWaalsContact O-N 3.15Å; I29-C33 PolarHBondContact O-SG 2.92Å; I29-L68 HydrophobicContact CB-CD1 4.28Å; I29-L68 HydrophobicContact CG1-CD1 4.18Å; I29-L68 HydrophobicContact CG2-CD1 3.86Å; I29-A71 HydrophobicContact CG2-CB 3.44Å; I29-A71 VanDerWaalsContact CG2-CB 3.44Å
30L93.6Very high91.8Very high68 Ų6876.4 Ų76.436%0.35641%0.413SS..Hα-helixtrans-70.5-39.4178.5-67.3175.6000111.6W26 G27 I32 C33 D34W26-L30 WeakPolarHBondContact O-CB 3.46Å; W26-L30 VanDerWaalsContact O-CG 3.27Å; W26-L30 WeakPolarHBondContact O-CG 3.19Å; W26-L30 PolarHBondContact O-N 2.97Å; G27-L30 PolarHBondContact O-N 3.33Å; L30-I32 PolarHBondContact O-N 3.07Å; L30-C33 WeakPolarHBondContact O-CA 3.47Å; L30-C33 WeakPolarHBondContact O-CB 3.45Å; L30-C33 PolarHBondContact O-N 3.01Å; L30-D34 PolarHBondContact O-N 3.09Å
31D94.2Very high91.7Very high103 Ų10373 Ų7355%0.55140%0.401SS*.Hα-helixtrans-57.2-38.9173-73.1-14.6000111.8G27 L28 D34 K35G27-D31 PolarHBondContact O-N 3.5Å; L28-D31 PolarHBondContact O-N 2.8Å; D31-D34 PolarHBondContact O-N 2.92Å; D31-K35 WeakPolarHBondContact O-CB 3.35Å; D31-K35 PolarHBondContact O-N 3.42Å
32I94.8Very high91.8Very high2 Ų271 Ų711%0.0139%0.391CS..Hα-helixtrans-64.7-42.5174.2-68.7164.5000110.6F9 D12 V13 A16 L28 I29 L30 K35 I36 L68F9-I32 HydrophobicContact CD1-CG2 4.47Å; D12-I32 HydrophobicContact CB-CD1 4.03Å; D12-I32 HydrophobicContact CB-CG1 3.83Å; V13-I32 HydrophobicContact CG2-CD1 4.49Å; A16-I32 HydrophobicContact CB-CD1 3.89Å; L28-I32 HydrophobicContact CG-CD1 4.27Å; L28-I32 VanDerWaalsContact O-CG1 3.27Å; L28-I32 WeakPolarHBondContact O-CG1 3.36Å; L28-I32 PolarHBondContact O-N 2.96Å; I29-I32 PolarHBondContact O-N 3.13Å; L30-I32 PolarHBondContact O-N 3.07Å; I32-K35 WeakPolarHBondContact O-CB 3.14Å; I32-K35 PolarHBondContact O-N 2.88Å; I32-I36 HydrophobicContact CG2-CD1 4.35Å; I32-I36 VanDerWaalsContact O-CG1 3.32Å; I32-I36 WeakPolarHBondContact O-CG1 3.18Å; I32-I36 PolarHBondContact O-N 2.8Å; I32-I36 VanDerWaalsContact O-N 3.11Å; I32-L68 HydrophobicContact CB-CD1 4.38Å; I32-L68 HydrophobicContact CD1-CD1 4.19Å; I32-L68 HydrophobicContact CD1-CD2 4.11Å; I32-L68 HydrophobicContact CG2-CD1 4.19Å
33C94.2Very high92.1Very high9 Ų964.5 Ų64.56%0.06135%0.351CS..Hα-helixtrans-60.9-44.2177.6-64.10000111.7I29 L30 K35 I36 N75I29-C33 PolarHBondContact O-N 3.46Å; I29-C33 VanDerWaalsContact O-N 3.15Å; I29-C33 PolarHBondContact O-SG 2.92Å; L30-C33 WeakPolarHBondContact O-CA 3.47Å; L30-C33 WeakPolarHBondContact O-CB 3.45Å; L30-C33 PolarHBondContact O-N 3.01Å; C33-K35 VanDerWaalsContact C-N 3.31Å; C33-K35 PolarHBondContact O-N 2.93Å; C33-I36 WeakPolarHBondContact O-CB 3.31Å; C33-I36 PolarHBondContact O-N 3.04Å; C33-N75 HydrophobicContact CB-CB 4.13Å
34D93.1Very high92.3Very high107 Ų10765.1 Ų65.157%0.57234%0.34SS*.Hα-helixtrans-62.9-39.8176.6-72.9-18.6000111.7L30 D31 I36 G37 Q38L30-D34 PolarHBondContact O-N 3.09Å; D31-D34 PolarHBondContact O-N 2.92Å; D34-I36 VanDerWaalsContact C-N 3.28Å; D34-I36 PolarHBondContact O-N 3.47Å; D34-G37 PolarHBondContact O-N 3.29Å; D34-Q38 WeakPolarHBondContact O-CG 3.43Å; D34-Q38 PolarHBondContact O-NE2 2.73Å
35K93.1Very high92.5Very high65 Ų6562.7 Ų62.728%0.28333%0.329SS..Hα-helixtrans-64.8-29.9177.8-166.1-177.8-169.5-176.80112.9P8 F9 D12 D31 I32 C33 G37 Q38P8-K35 PolarHBondContact O-NZ 2.93Å; F9-K35 HydrophobicContact CD1-CD 4.1Å; F9-K35 HydrophobicContact CE1-CB 3.95Å; F9-K35 HydrophobicContact CE1-CD 3.82Å; F9-K35 HydrophobicContact CE1-CG 3.73Å; F9-K35 HydrophobicContact CZ-CG 4.19Å; D12-K35 IonicContact OD2-NZ 2.94Å; D12-K35 PolarHBondContact OD2-NZ 3.08Å; D31-K35 WeakPolarHBondContact O-CB 3.35Å; D31-K35 PolarHBondContact O-N 3.42Å; I32-K35 WeakPolarHBondContact O-CB 3.14Å; I32-K35 PolarHBondContact O-N 2.88Å; C33-K35 VanDerWaalsContact C-N 3.31Å; C33-K35 PolarHBondContact O-N 2.93Å; K35-G37 VanDerWaalsContact C-N 3.34Å; K35-Q38 PolarHBondContact O-N 2.83Å
36I93.4Very high92.7Very high0 Ų058.7 Ų58.70%031%0.307CS..Hα-helixtrans-63.4-41.1177.6-71.3165.2000111F9 I32 C33 D34 Q38 P43 C46 C72 C76 F80F9-I36 HydrophobicContact CE1-CG1 3.85Å; F9-I36 HydrophobicContact CZ-CG1 4.33Å; I32-I36 HydrophobicContact CG2-CD1 4.35Å; I32-I36 VanDerWaalsContact O-CG1 3.32Å; I32-I36 WeakPolarHBondContact O-CG1 3.18Å; I32-I36 PolarHBondContact O-N 2.8Å; I32-I36 VanDerWaalsContact O-N 3.11Å; C33-I36 WeakPolarHBondContact O-CB 3.31Å; C33-I36 PolarHBondContact O-N 3.04Å; D34-I36 VanDerWaalsContact C-N 3.28Å; D34-I36 PolarHBondContact O-N 3.47Å; I36-Q38 VanDerWaalsContact C-N 3.28Å; I36-Q38 PolarHBondContact O-N 2.87Å; I36-P43 HydrophobicContact CG2-CB 4.06Å; I36-P43 HydrophobicContact CG2-CG 3.66Å; I36-C46 HydrophobicContact CD1-CB 3.9Å; I36-C46 WeakPolarHBondContact CD1-SG 3.32Å; I36-C46 HydrophobicContact CG1-CB 3.7Å; I36-C72 HydrophobicContact CD1-CB 4.11Å; I36-C72 VanDerWaalsContact CD1-SG 3.52Å; I36-C76 HydrophobicContact CG2-CB 4.22Å; I36-F80 HydrophobicContact CD1-CD2 4.21Å; I36-F80 HydrophobicContact CD1-CE2 4.05Å; I36-F80 HydrophobicContact CG2-CD2 4.07Å
37G87.6Confident92.9Very high52 Ų5256.4 Ų56.454%0.53630%0.299SS..Hα-helixtrans-70.3-19.8-18000000114.5D34 K35 S39D34-G37 PolarHBondContact O-N 3.29Å; K35-G37 VanDerWaalsContact C-N 3.34Å; G37-S39 PolarHBondContact O-N 3.08Å
38Q89.8Confident93Very high156 Ų15660 Ų6073%0.72930%0.3SS*.THydrogen-bonded Turntrans-78.4-16-174.9-67.1171.324.800114.2D34 K35 I36D34-Q38 WeakPolarHBondContact O-CG 3.43Å; D34-Q38 PolarHBondContact O-NE2 2.73Å; K35-Q38 PolarHBondContact O-N 2.83Å; I36-Q38 VanDerWaalsContact C-N 3.28Å; I36-Q38 PolarHBondContact O-N 2.87Å
39S88.5Confident93.1Very high56 Ų5658.8 Ų58.839%0.39229%0.294SS..SBendtrans-132.3139-176.5177.40000112.3G37 T41 G42G37-S39 PolarHBondContact O-N 3.08Å; S39-T41 PolarHBondContact O-N 3.32Å; S39-T41 PolarHBondContact OG-N 2.88Å; S39-G42 WeakPolarHBondContact O-CA 3.47Å; S39-G42 PolarHBondContact O-N 2.86Å
40R88.3Confident93.2Very high252 Ų25258.5 Ų58.595%0.95129%0.292SS*.THydrogen-bonded Turntrans-61.1-31.6178.1-171.7176.1-177.9-170.21.9113.2
41T91Very high93.3Very high87 Ų8755.7 Ų55.753%0.53428%0.277SS..THydrogen-bonded Turntrans-95.11175.4590000112.5S39 K44 E45S39-T41 PolarHBondContact O-N 3.32Å; S39-T41 PolarHBondContact OG-N 2.88Å; T41-K44 PolarHBondContact O-N 3.02Å; T41-E45 WeakPolarHBondContact O-CB 3.45Å; T41-E45 WeakPolarHBondContact O-CG 3.12Å; T41-E45 PolarHBondContact O-N 3.07Å
42G92.6Very high93.4Very high0 Ų058 Ų580%028%0.278CS..Hα-helixtrans-53.5-55.7-176.700000113.5S39 K44 E45 C46S39-G42 WeakPolarHBondContact O-CA 3.47Å; S39-G42 PolarHBondContact O-N 2.86Å; G42-K44 VanDerWaalsContact C-N 3.33Å; G42-K44 PolarHBondContact O-N 3.39Å; G42-E45 PolarHBondContact O-N 3.37Å; G42-C46 VanDerWaalsContact O-CB 3.26Å; G42-C46 WeakPolarHBondContact O-CB 3.32Å; G42-C46 PolarHBondContact O-N 3.28Å
43P94.9Very high93.4Very high9 Ų959.8 Ų59.86%0.05829%0.285CS..Hα-helixtrans-56.1-45.6-177.6-27.334.5000113.2I36 L47 I79 F80 E83I36-P43 HydrophobicContact CG2-CB 4.06Å; I36-P43 HydrophobicContact CG2-CG 3.66Å; P43-L47 VanDerWaalsContact O-CB 3.29Å; P43-L47 WeakPolarHBondContact O-CB 3.36Å; P43-L47 PolarHBondContact O-N 3.04Å; P43-I79 HydrophobicContact CG-CB 4.26Å; P43-I79 HydrophobicContact CG-CD1 4.09Å; P43-I79 HydrophobicContact CG-CG1 4.27Å; P43-F80 HydrophobicContact CB-CD2 3.95Å; P43-E83 HydrophobicContact CB-CG 3.84Å
44K94.3Very high93.6Very high85 Ų8559.6 Ų59.637%0.3728%0.283SS..Hα-helixtrans-66.9-45.8-179.1-172.5167.8-164.5168.60113T41 G42 R48 E83T41-K44 PolarHBondContact O-N 3.02Å; G42-K44 VanDerWaalsContact C-N 3.33Å; G42-K44 PolarHBondContact O-N 3.39Å; K44-R48 VanDerWaalsContact CE-NH2 3.3Å; K44-R48 VanDerWaalsContact O-CG 3.32Å; K44-R48 WeakPolarHBondContact O-CG 3.25Å; K44-R48 PolarHBondContact O-N 3.49Å; K44-R48 VanDerWaalsContact O-N 3.12Å; K44-E83 HydrophobicContact CB-CG 4.34Å; K44-E83 WeakPolarHBondContact CB-OE2 3.3Å; K44-E83 WeakPolarHBondContact CG-OE2 3.48Å
45E94.2Very high93.6Very high45 Ų4557.4 Ų57.421%0.2127%0.272CS..Hα-helixtrans-67.7-41179.2-71.6-55.8113.700111.1N7 F9 T41 G42 R48 S49N7-E45 WeakPolarHBondContact ND2-CB 2.92Å; N7-E45 PolarHBondContact ND2-O 3.24Å; N7-E45 PolarHBondContact ND2-OE2 3.41Å; F9-E45 HydrophobicContact CD2-CB 3.94Å; F9-E45 HydrophobicContact CE2-CB 4.12Å; T41-E45 WeakPolarHBondContact O-CB 3.45Å; T41-E45 WeakPolarHBondContact O-CG 3.12Å; T41-E45 PolarHBondContact O-N 3.07Å; G42-E45 PolarHBondContact O-N 3.37Å; E45-R48 PolarHBondContact O-N 3.24Å; E45-R48 IonicContact OE1-CZ 3.81Å; E45-R48 IonicContact OE1-NH1 2.66Å; E45-R48 PolarHBondContact OE1-NH1 3.07Å; E45-S49 PolarHBondContact O-N 2.89Å; E45-S49 VanDerWaalsContact O-N 3.11Å
46C96.1Very high93.7Very high0 Ų057.8 Ų57.80%027%0.274CS..Hα-helixtrans-63.8-49.2175.8-174.90000111.7F9 I36 G42 R48 S49 I50F9-C46 HydrophobicContact CB-CB 4.46Å; F9-C46 HydrophobicContact CD1-CB 3.89Å; F9-C46 HydrophobicContact CD2-CB 4.11Å; F9-C46 HydrophobicContact CE1-CB 4.12Å; F9-C46 HydrophobicContact CE2-CB 4.36Å; F9-C46 HydrophobicContact CG-CB 3.88Å; F9-C46 HydrophobicContact CZ-CB 4.36Å; I36-C46 HydrophobicContact CD1-CB 3.9Å; I36-C46 WeakPolarHBondContact CD1-SG 3.32Å; I36-C46 HydrophobicContact CG1-CB 3.7Å; G42-C46 VanDerWaalsContact O-CB 3.26Å; G42-C46 WeakPolarHBondContact O-CB 3.32Å; G42-C46 PolarHBondContact O-N 3.28Å; C46-R48 VanDerWaalsContact C-N 3.28Å; C46-R48 PolarHBondContact O-N 3.19Å; C46-S49 WeakPolarHBondContact O-CB 3.47Å; C46-S49 PolarHBondContact O-N 3.5Å; C46-I50 WeakPolarHBondContact O-CG1 3.31Å; C46-I50 PolarHBondContact O-N 3.18Å; C46-I50 VanDerWaalsContact SG-CD1 3.53Å
47L96.4Very high93.6Very high11 Ų1167.7 Ų67.76%0.05832%0.318CS..Hα-helixtrans-57.2-41.8178.6-179.963000111.9P43 S49 I50 M51 L69 F80 E83 V84 F89P43-L47 VanDerWaalsContact O-CB 3.29Å; P43-L47 WeakPolarHBondContact O-CB 3.36Å; P43-L47 PolarHBondContact O-N 3.04Å; L47-S49 PolarHBondContact O-N 3.11Å; L47-I50 PolarHBondContact O-N 3Å; L47-M51 HydrophobicContact CD1-CG 4.07Å; L47-M51 HydrophobicContact CG-CG 4.41Å; L47-M51 WeakPolarHBondContact O-CB 3.45Å; L47-M51 WeakPolarHBondContact O-CG 3.5Å; L47-M51 PolarHBondContact O-N 2.83Å; L47-L69 HydrophobicContact CD1-CD1 3.59Å; L47-F80 HydrophobicContact CB-CE2 4.31Å; L47-F80 HydrophobicContact CB-CZ 4.26Å; L47-F80 HydrophobicContact CD1-CZ 4.13Å; L47-E83 HydrophobicContact CD2-CB 3.71Å; L47-E83 VanDerWaalsContact CD2-O 3.31Å; L47-E83 WeakPolarHBondContact CD2-O 3.31Å; L47-V84 HydrophobicContact CD1-CG2 4.44Å; L47-F89 HydrophobicContact CD1-CD2 4.13Å; L47-F89 HydrophobicContact CD1-CE2 4.34Å; L47-F89 HydrophobicContact CD2-CD2 4.37Å
48R95Very high93.9Very high118 Ų11867.6 Ų67.645%0.44531%0.305SS..Hα-helixtrans-60.8-44.1174.8-77.3172.6176.5162.7-8.5112.4K44 E45 C46 R52K44-R48 VanDerWaalsContact CE-NH2 3.3Å; K44-R48 VanDerWaalsContact O-CG 3.32Å; K44-R48 WeakPolarHBondContact O-CG 3.25Å; K44-R48 PolarHBondContact O-N 3.49Å; K44-R48 VanDerWaalsContact O-N 3.12Å; E45-R48 PolarHBondContact O-N 3.24Å; E45-R48 IonicContact OE1-CZ 3.81Å; E45-R48 IonicContact OE1-NH1 2.66Å; E45-R48 PolarHBondContact OE1-NH1 3.07Å; C46-R48 VanDerWaalsContact C-N 3.28Å; C46-R48 PolarHBondContact O-N 3.19Å; R48-R52 WeakPolarHBondContact O-CG 3.45Å; R48-R52 PolarHBondContact O-N 2.68Å; R48-R52 VanDerWaalsContact O-N 3.15Å
49S95.9Very high94.1Very high3 Ų362.4 Ų62.42%0.02129%0.285CS..Hα-helixtrans-64.1-45.3178.6-166.20000111.1D10 E45 C46 L47 R52 R53D10-S49 WeakPolarHBondContact CA-OG 3.14Å; D10-S49 VanDerWaalsContact OD1-CB 3.28Å; D10-S49 WeakPolarHBondContact OD1-CB 3.34Å; D10-S49 PolarHBondContact OD1-OG 3.06Å; E45-S49 PolarHBondContact O-N 2.89Å; E45-S49 VanDerWaalsContact O-N 3.11Å; C46-S49 WeakPolarHBondContact O-CB 3.47Å; C46-S49 PolarHBondContact O-N 3.5Å; L47-S49 PolarHBondContact O-N 3.11Å; S49-R52 WeakPolarHBondContact O-CB 3.46Å; S49-R52 PolarHBondContact O-N 3.23Å; S49-R53 PolarHBondContact O-N 3.21Å
50I97.1Very high94.3Very high0 Ų063.5 Ų63.50%028%0.283CS..Hα-helixtrans-59.7-50.2176-66.9168.6000111V13 C46 L47 R52 R53 V54 A65 L68 L69V13-I50 HydrophobicContact CG1-CG1 4.3Å; V13-I50 HydrophobicContact CG2-CG1 4.31Å; C46-I50 WeakPolarHBondContact O-CG1 3.31Å; C46-I50 PolarHBondContact O-N 3.18Å; C46-I50 VanDerWaalsContact SG-CD1 3.53Å; L47-I50 PolarHBondContact O-N 3Å; I50-R52 VanDerWaalsContact C-N 3.26Å; I50-R52 PolarHBondContact O-N 3Å; I50-R53 CarbonylContact O-C 3.57Å; I50-R53 WeakPolarHBondContact O-CA 3.43Å; I50-R53 WeakPolarHBondContact O-CB 3.29Å; I50-R53 PolarHBondContact O-N 3.09Å; I50-V54 HydrophobicContact CG2-CG2 4.12Å; I50-V54 WeakPolarHBondContact O-CG2 3.2Å; I50-V54 PolarHBondContact O-N 3.32Å; I50-A65 WeakPolarHBondContact CG2-O 3.41Å; I50-L68 HydrophobicContact CD1-CD2 4.22Å; I50-L68 HydrophobicContact CD1-CG 3.99Å; I50-L68 HydrophobicContact CG1-CD2 3.95Å; I50-L68 HydrophobicContact CG1-CG 4.22Å; I50-L69 HydrophobicContact CG2-CB 3.87Å; I50-L69 HydrophobicContact CG2-CD1 4.21Å; I50-L69 HydrophobicContact CG2-CG 4.49Å
51M95.9Very high94.7Very high9 Ų951.5 Ų51.54%0.04424%0.238CC..Hα-helixtrans-64.7-28-177.9-70.3-51.9-68.800113.3L47 R53 V54 N55 L69 F89 E92 V96L47-M51 HydrophobicContact CD1-CG 4.07Å; L47-M51 HydrophobicContact CG-CG 4.41Å; L47-M51 WeakPolarHBondContact O-CB 3.45Å; L47-M51 WeakPolarHBondContact O-CG 3.5Å; L47-M51 PolarHBondContact O-N 2.83Å; M51-R53 VanDerWaalsContact C-N 3.32Å; M51-V54 HydrophobicContact CE-CB 4.5Å; M51-V54 HydrophobicContact CE-CG1 4.42Å; M51-V54 PolarHBondContact O-N 3.2Å; M51-V54 HydrophobicContact SD-CB 4.34Å; M51-V54 HydrophobicContact SD-CG2 4.13Å; M51-N55 PolarHBondContact O-N 2.76Å; M51-N55 VanDerWaalsContact O-N 3.15Å; M51-N55 PolarHBondContact O-ND2 2.81Å; M51-L69 HydrophobicContact SD-CD2 4.25Å; M51-F89 HydrophobicContact CE-CE2 4.26Å; M51-F89 HydrophobicContact CG-CD2 4.49Å; M51-F89 HydrophobicContact SD-CD2 4.25Å; M51-F89 HydrophobicContact SD-CE2 3.85Å; M51-E92 HydrophobicContact CE-CB 3.47Å; M51-E92 VanDerWaalsContact CE-CB 3.47Å; M51-E92 HydrophobicContact CE-CG 4.39Å; M51-V96 HydrophobicContact CE-CG2 4.28Å
52R95.3Very high94.9Very high151 Ų15147.5 Ų47.557%0.5721%0.214SC*.Hα-helixtrans-62.2-40.7168.8-72.9173-174.3169.31.5111.6D10 R48 S49 I50D10-R52 IonicContact OD1-NH1 3.6Å; D10-R52 IonicContact OD2-NH1 3.29Å; D10-R52 PolarHBondContact OD2-NH1 3.24Å; R48-R52 WeakPolarHBondContact O-CG 3.45Å; R48-R52 PolarHBondContact O-N 2.68Å; R48-R52 VanDerWaalsContact O-N 3.15Å; S49-R52 WeakPolarHBondContact O-CB 3.46Å; S49-R52 PolarHBondContact O-N 3.23Å; I50-R52 VanDerWaalsContact C-N 3.26Å; I50-R52 PolarHBondContact O-N 3Å
53R95.8Very high95Very high41 Ų4150.1 Ų50.116%0.15523%0.227CC..Hα-helixtrans-74.4-33.4177.2-57.4-60.9-69.8174.7-2.4112.6V13 T17 S49 I50 M51 N55 H56 V61 A65V13-R53 HydrophobicContact CG1-CG 3.74Å; T17-R53 PolarHBondContact O-NH2 3.4Å; T17-R53 PolarHBondContact OG1-NE 3.48Å; S49-R53 PolarHBondContact O-N 3.21Å; I50-R53 CarbonylContact O-C 3.57Å; I50-R53 WeakPolarHBondContact O-CA 3.43Å; I50-R53 WeakPolarHBondContact O-CB 3.29Å; I50-R53 PolarHBondContact O-N 3.09Å; M51-R53 VanDerWaalsContact C-N 3.32Å; R53-N55 VanDerWaalsContact C-N 3.26Å; R53-N55 PolarHBondContact O-N 2.6Å; R53-H56 WeakPolarHBondContact O-CB 3.42Å; R53-H56 PolarHBondContact O-N 3.46Å; R53-V61 HydrophobicContact CB-CG1 4.45Å; R53-V61 VanDerWaalsContact NH2-CG1 3.26Å; R53-A65 HydrophobicContact CB-CB 3.63Å
54V96.4Very high95Very high4 Ų450.5 Ų50.52%0.02423%0.228CC..Hα-helixtrans-62.1-35.2172.9176.80000111.5I50 M51 H56 A62 A65 L66 V96 V104I50-V54 HydrophobicContact CG2-CG2 4.12Å; I50-V54 WeakPolarHBondContact O-CG2 3.2Å; I50-V54 PolarHBondContact O-N 3.32Å; M51-V54 HydrophobicContact CE-CB 4.5Å; M51-V54 HydrophobicContact CE-CG1 4.42Å; M51-V54 PolarHBondContact O-N 3.2Å; M51-V54 HydrophobicContact SD-CB 4.34Å; M51-V54 HydrophobicContact SD-CG2 4.13Å; V54-H56 PolarHBondContact O-N 2.95Å; V54-A62 WeakPolarHBondContact O-CB 3.48Å; V54-A65 HydrophobicContact CG2-CB 3.67Å; V54-L66 HydrophobicContact CG1-CD2 3.86Å; V54-L66 HydrophobicContact CG1-CG 4.22Å; V54-L66 HydrophobicContact CG2-CD2 3.89Å; V54-L66 HydrophobicContact CG2-CG 4.22Å; V54-V96 HydrophobicContact CG1-CG1 4.05Å; V54-V96 HydrophobicContact CG1-CG2 3.86Å; V54-V104 HydrophobicContact CG1-CG1 4.47Å
55N94.6Very high95.1Very high61 Ų6146.4 Ų46.433%0.32621%0.21SC..THydrogen-bonded Turntrans-82.39.5174.7-77.8-83.3000113.8M51 R53 E92 N95M51-N55 PolarHBondContact O-N 2.76Å; M51-N55 VanDerWaalsContact O-N 3.15Å; M51-N55 PolarHBondContact O-ND2 2.81Å; R53-N55 VanDerWaalsContact C-N 3.26Å; R53-N55 PolarHBondContact O-N 2.6Å; N55-E92 PolarHBondContact ND2-OE2 3.24Å; N55-N95 PolarHBondContact OD1-ND2 3.43Å
56H95.3Very high95.2Very high73 Ų7344.3 Ų44.334%0.33820%0.2SC..  trans-66.5152.5-179.8-164.2-101.7000111.7R53 V54 D58 V61R53-H56 WeakPolarHBondContact O-CB 3.42Å; R53-H56 PolarHBondContact O-N 3.46Å; V54-H56 PolarHBondContact O-N 2.95Å; H56-D58 VanDerWaalsContact C-N 3.31Å; H56-D58 WeakPolarHBondContact ND1-CB 3.31Å; H56-D58 PolarHBondContact ND1-N 2.89Å; H56-D58 VanDerWaalsContact ND1-N 3.16Å; H56-D58 PolarHBondContact O-N 3.34Å; H56-V61 HydrophobicContact CB-CB 4.27Å; H56-V61 HydrophobicContact CB-CG1 3.73Å
57K91.8Very high95.1Very high209 Ų20944.6 Ų44.691%0.90920%0.202SC*.SBendtrans-68.8-33.5-178.6-63.9-177.7-178.8-179.80112.5P59K57-P59 WeakPolarHBondContact O-CD 3.48Å
58D93.9Very high95.1Very high49 Ų4944.1 Ų44.126%0.26220%0.199SC..SBendtrans-78.8118176.2-171.3-17000109.9H56 H60 V61 A62H56-D58 VanDerWaalsContact C-N 3.31Å; H56-D58 WeakPolarHBondContact ND1-CB 3.31Å; H56-D58 PolarHBondContact ND1-N 2.89Å; H56-D58 VanDerWaalsContact ND1-N 3.16Å; H56-D58 PolarHBondContact O-N 3.34Å; D58-H60 PolarHBondContact O-N 2.9Å; D58-H60 WeakPolarHBondContact OD1-CB 3.32Å; D58-H60 PolarHBondContact OD1-N 2.84Å; D58-V61 HydrophobicContact CB-CB 4.24Å; D58-V61 HydrophobicContact CB-CG2 4Å; D58-V61 PolarHBondContact O-N 3.31Å; D58-A62 PolarHBondContact O-N 2.96Å; D58-A62 VanDerWaalsContact O-N 3.17Å
59P93.3Very high95.2Very high48 Ų4838.5 Ų38.531%0.31218%0.178SC..Hα-helixtrans-63.4-26.217727.5-35.9000113.4K57 A62 M63 H101 V104K57-P59 WeakPolarHBondContact O-CD 3.48Å; P59-A62 PolarHBondContact O-N 2.97Å; P59-M63 WeakPolarHBondContact O-CB 3.4Å; P59-M63 WeakPolarHBondContact O-CG 3.48Å; P59-M63 PolarHBondContact O-N 3.08Å; P59-H101 HydrophobicContact CB-CB 3.94Å; P59-V104 HydrophobicContact CB-CG2 4.31Å
60H92.6Very high95.1Very high78 Ų7838.4 Ų38.436%0.36118%0.177SC..Hα-helixtrans-63.9-52177-175.858.1000110.8N21 D58 A62 M63 Q64N21-H60 PolarHBondContact O-NE2 3.43Å; D58-H60 PolarHBondContact O-N 2.9Å; D58-H60 WeakPolarHBondContact OD1-CB 3.32Å; D58-H60 PolarHBondContact OD1-N 2.84Å; H60-A62 VanDerWaalsContact C-N 3.31Å; H60-A62 PolarHBondContact O-N 3.11Å; H60-M63 WeakPolarHBondContact O-CB 3.41Å; H60-M63 PolarHBondContact O-N 2.73Å; H60-M63 VanDerWaalsContact O-N 3.16Å; H60-Q64 PolarHBondContact CD2-OE1 3.29Å; H60-Q64 PolarHBondContact NE2-OE1 2.91Å; H60-Q64 WeakPolarHBondContact O-CG 3.47Å; H60-Q64 PolarHBondContact O-N 3.31Å; H60-Q64 PolarHBondContact O-OE1 3.38Å
61V95.9Very high95Very high1 Ų138.4 Ų38.41%0.00618%0.177CC..Hα-helixtrans-55.5-46.1174.2170.30000111.6T17 E19 R53 H56 D58 M63 Q64 A65T17-V61 WeakPolarHBondContact O-CG1 3.21Å; T17-V61 WeakPolarHBondContact O-CG2 3.39Å; E19-V61 HydrophobicContact CB-CG2 3.84Å; R53-V61 HydrophobicContact CB-CG1 4.45Å; R53-V61 VanDerWaalsContact NH2-CG1 3.26Å; H56-V61 HydrophobicContact CB-CB 4.27Å; H56-V61 HydrophobicContact CB-CG1 3.73Å; D58-V61 HydrophobicContact CB-CB 4.24Å; D58-V61 HydrophobicContact CB-CG2 4Å; D58-V61 PolarHBondContact O-N 3.31Å; V61-M63 VanDerWaalsContact C-N 3.35Å; V61-M63 PolarHBondContact O-N 3.28Å; V61-Q64 PolarHBondContact O-N 3.38Å; V61-A65 WeakPolarHBondContact O-CB 3.17Å; V61-A65 PolarHBondContact O-N 3.38Å
62A95.8Very high94.9Very high2 Ų238 Ų382%0.01718%0.175CC..Hα-helixtrans-65.3-37-179.600000112.6V54 D58 P59 H60 A65 L66 V104V54-A62 WeakPolarHBondContact O-CB 3.48Å; D58-A62 PolarHBondContact O-N 2.96Å; D58-A62 VanDerWaalsContact O-N 3.17Å; P59-A62 PolarHBondContact O-N 2.97Å; H60-A62 VanDerWaalsContact C-N 3.31Å; H60-A62 PolarHBondContact O-N 3.11Å; A62-A65 PolarHBondContact O-N 3.24Å; A62-L66 WeakPolarHBondContact O-CG 3.41Å; A62-L66 PolarHBondContact O-N 3.12Å; A62-V104 HydrophobicContact CB-CG1 4.01Å; A62-V104 HydrophobicContact CB-CG2 3.79Å
63M94.3Very high94.9Very high56 Ų5630.9 Ų30.928%0.27615%0.149SC..Hα-helixtrans-64.6-45174.8-74.8-64.4-60.900111.6P59 H60 V61 A65 L66 T67 K103 V104 K107P59-M63 WeakPolarHBondContact O-CB 3.4Å; P59-M63 WeakPolarHBondContact O-CG 3.48Å; P59-M63 PolarHBondContact O-N 3.08Å; H60-M63 WeakPolarHBondContact O-CB 3.41Å; H60-M63 PolarHBondContact O-N 2.73Å; H60-M63 VanDerWaalsContact O-N 3.16Å; V61-M63 VanDerWaalsContact C-N 3.35Å; V61-M63 PolarHBondContact O-N 3.28Å; M63-A65 VanDerWaalsContact C-N 3.28Å; M63-A65 PolarHBondContact O-N 3.38Å; M63-L66 PolarHBondContact O-N 2.92Å; M63-L66 VanDerWaalsContact O-N 3.15Å; M63-T67 PolarHBondContact O-N 3.28Å; M63-T67 PolarHBondContact O-OG1 3.04Å; M63-K103 HydrophobicContact SD-CB 4.38Å; M63-V104 HydrophobicContact CG-CG2 4Å; M63-V104 HydrophobicContact SD-CB 4.43Å; M63-V104 HydrophobicContact SD-CG2 3.95Å; M63-K107 HydrophobicContact CE-CB 3.98Å; M63-K107 HydrophobicContact CE-CD 4.25Å; M63-K107 HydrophobicContact CE-CG 4.07Å; M63-K107 HydrophobicContact SD-CB 4.12Å
64Q95.1Very high94.7Very high16 Ų1631.9 Ų31.98%0.07516%0.162CC..Hα-helixtrans-62.1-38.5175.9-64.4170.6-83.600111.7A16 T17 S18 N21 H60 V61 L66 T67 L68A16-Q64 PolarHBondContact O-NE2 2.99Å; T17-Q64 HydrophobicContact CG2-CB 4.13Å; S18-Q64 PolarHBondContact O-NE2 3.24Å; S18-Q64 PolarHBondContact O-OE1 3.05Å; N21-Q64 VanDerWaalsContact CB-NE2 3.26Å; N21-Q64 PolarHBondContact ND2-NE2 2.82Å; H60-Q64 PolarHBondContact CD2-OE1 3.29Å; H60-Q64 PolarHBondContact NE2-OE1 2.91Å; H60-Q64 WeakPolarHBondContact O-CG 3.47Å; H60-Q64 PolarHBondContact O-N 3.31Å; H60-Q64 PolarHBondContact O-OE1 3.38Å; V61-Q64 PolarHBondContact O-N 3.38Å; Q64-L66 VanDerWaalsContact C-N 3.32Å; Q64-L66 PolarHBondContact O-N 3.24Å; Q64-T67 PolarHBondContact O-N 2.88Å; Q64-L68 PolarHBondContact O-N 3.14Å
65A96.8Very high94.5Very high0 Ų035 Ų350%018%0.179CC..Hα-helixtrans-63.9-36.2175.400000112.4T17 I50 R53 V54 V61 A62 M63 L69T17-A65 HydrophobicContact CG2-CB 3.87Å; I50-A65 WeakPolarHBondContact CG2-O 3.41Å; R53-A65 HydrophobicContact CB-CB 3.63Å; V54-A65 HydrophobicContact CG2-CB 3.67Å; V61-A65 WeakPolarHBondContact O-CB 3.17Å; V61-A65 PolarHBondContact O-N 3.38Å; A62-A65 PolarHBondContact O-N 3.24Å; M63-A65 VanDerWaalsContact C-N 3.28Å; M63-A65 PolarHBondContact O-N 3.38Å; A65-L69 WeakPolarHBondContact O-CB 3.29Å; A65-L69 PolarHBondContact O-N 3.18Å
66L96Very high94.4Very high0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-70.5-36.9173.5-72.6178.5000112.8V54 A62 M63 Q64 L69 G70 V104 K107 L108 L111V54-L66 HydrophobicContact CG1-CD2 3.86Å; V54-L66 HydrophobicContact CG1-CG 4.22Å; V54-L66 HydrophobicContact CG2-CD2 3.89Å; V54-L66 HydrophobicContact CG2-CG 4.22Å; A62-L66 WeakPolarHBondContact O-CG 3.41Å; A62-L66 PolarHBondContact O-N 3.12Å; M63-L66 PolarHBondContact O-N 2.92Å; M63-L66 VanDerWaalsContact O-N 3.15Å; Q64-L66 VanDerWaalsContact C-N 3.32Å; Q64-L66 PolarHBondContact O-N 3.24Å; L66-L69 HydrophobicContact CD2-CD2 4.21Å; L66-L69 WeakPolarHBondContact O-CB 3.31Å; L66-L69 PolarHBondContact O-N 2.87Å; L66-G70 PolarHBondContact O-N 3.23Å; L66-V104 HydrophobicContact CD1-CB 4.35Å; L66-V104 HydrophobicContact CD1-CG1 3.55Å; L66-V104 VanDerWaalsContact CD1-O 3.24Å; L66-V104 WeakPolarHBondContact CD1-O 3.47Å; L66-V104 HydrophobicContact CG-CG1 4.39Å; L66-K107 HydrophobicContact CB-CG 4.18Å; L66-K107 HydrophobicContact CD1-CB 3.96Å; L66-K107 HydrophobicContact CD1-CG 4.05Å; L66-L108 HydrophobicContact CD1-CB 4.11Å; L66-L108 HydrophobicContact CD2-CB 4.18Å; L66-L108 HydrophobicContact CD2-CD1 3.89Å; L66-L111 HydrophobicContact CB-CD1 4.31Å; L66-L111 HydrophobicContact CD2-CD1 4.47Å
67T94.8Very high94.2Very high6 Ų630.9 Ų30.94%0.03717%0.167CC..Hα-helixtrans-60.8-47.3171.8-61.90000110.3E24 W26 M63 Q64 L69 G70 A71 A155E24-T67 HydrophobicContact CG-CG2 4.5Å; W26-T67 HydrophobicContact CH2-CG2 3.68Å; W26-T67 HydrophobicContact CZ2-CG2 3.91Å; M63-T67 PolarHBondContact O-N 3.28Å; M63-T67 PolarHBondContact O-OG1 3.04Å; Q64-T67 PolarHBondContact O-N 2.88Å; T67-L69 VanDerWaalsContact C-N 3.34Å; T67-L69 PolarHBondContact O-N 3.4Å; T67-G70 PolarHBondContact O-N 3.4Å; T67-A71 PolarHBondContact O-N 2.88Å; T67-A155 HydrophobicContact CG2-CB 4.02Å; T67-A155 WeakPolarHBondContact O-CB 3.4Å
68L96Very high94.2Very high1 Ų125.1 Ų25.11%0.00514%0.142CC..Hα-helixtrans-60.1-42.6174.7175.959.2000112V13 A16 T17 I29 I32 I50 Q64 G70 A71 C72V13-L68 HydrophobicContact CG1-CD2 4.21Å; V13-L68 HydrophobicContact CG2-CD2 4.15Å; A16-L68 HydrophobicContact CB-CD2 4.35Å; T17-L68 HydrophobicContact CG2-CD2 4.38Å; I29-L68 HydrophobicContact CB-CD1 4.28Å; I29-L68 HydrophobicContact CG1-CD1 4.18Å; I29-L68 HydrophobicContact CG2-CD1 3.86Å; I32-L68 HydrophobicContact CB-CD1 4.38Å; I32-L68 HydrophobicContact CD1-CD1 4.19Å; I32-L68 HydrophobicContact CD1-CD2 4.11Å; I32-L68 HydrophobicContact CG2-CD1 4.19Å; I50-L68 HydrophobicContact CD1-CD2 4.22Å; I50-L68 HydrophobicContact CD1-CG 3.99Å; I50-L68 HydrophobicContact CG1-CD2 3.95Å; I50-L68 HydrophobicContact CG1-CG 4.22Å; Q64-L68 PolarHBondContact O-N 3.14Å; L68-G70 VanDerWaalsContact C-N 3.35Å; L68-G70 PolarHBondContact O-N 3.33Å; L68-A71 PolarHBondContact O-N 2.74Å; L68-C72 PolarHBondContact O-N 3.23Å; L68-C72 PolarHBondContact O-SG 2.93Å
69L96.6Very high94.1Very high0 Ų027.1 Ų27.10%015%0.151CC..Hα-helixtrans-58.3-46.6176.2-176.960.3000111.8L47 I50 M51 A65 L66 T67 C72 V73 F80 F89 W115L47-L69 HydrophobicContact CD1-CD1 3.59Å; I50-L69 HydrophobicContact CG2-CB 3.87Å; I50-L69 HydrophobicContact CG2-CD1 4.21Å; I50-L69 HydrophobicContact CG2-CG 4.49Å; M51-L69 HydrophobicContact SD-CD2 4.25Å; A65-L69 WeakPolarHBondContact O-CB 3.29Å; A65-L69 PolarHBondContact O-N 3.18Å; L66-L69 HydrophobicContact CD2-CD2 4.21Å; L66-L69 WeakPolarHBondContact O-CB 3.31Å; L66-L69 PolarHBondContact O-N 2.87Å; T67-L69 VanDerWaalsContact C-N 3.34Å; T67-L69 PolarHBondContact O-N 3.4Å; L69-C72 PolarHBondContact O-N 2.89Å; L69-V73 WeakPolarHBondContact O-CG2 3.5Å; L69-V73 PolarHBondContact O-N 3.15Å; L69-F80 HydrophobicContact CD1-CE1 4.02Å; L69-F80 HydrophobicContact CD1-CZ 4.07Å; L69-F89 HydrophobicContact CD2-CE2 4.13Å; L69-F89 HydrophobicContact CD2-CZ 4.39Å; L69-W115 HydrophobicContact CD2-CH2 3.78Å; L69-W115 HydrophobicContact CG-CH2 3.79Å; L69-W115 HydrophobicContact CG-CZ2 4.33Å
70G94.3Very high94.2Very high1 Ų124.8 Ų24.81%0.0114%0.136CC..Hα-helixtrans-57.3-48175.300000111.9L66 T67 L68 C72 V73 S74L66-G70 PolarHBondContact O-N 3.23Å; T67-G70 PolarHBondContact O-N 3.4Å; L68-G70 VanDerWaalsContact C-N 3.35Å; L68-G70 PolarHBondContact O-N 3.33Å; G70-C72 PolarHBondContact O-N 3.23Å; G70-V73 PolarHBondContact O-N 3.11Å; G70-S74 PolarHBondContact O-N 3.49Å; G70-S74 PolarHBondContact O-OG 3.37Å
71A93.9Very high94.3Very high0 Ų022.5 Ų22.50%013%0.126CC..Hα-helixtrans-60.4-43.4178.400000112.1W26 I29 T67 L68 V73 S74 N75 A155W26-A71 HydrophobicContact CZ3-CB 4.13Å; I29-A71 HydrophobicContact CG2-CB 3.44Å; I29-A71 VanDerWaalsContact CG2-CB 3.44Å; T67-A71 PolarHBondContact O-N 2.88Å; L68-A71 PolarHBondContact O-N 2.74Å; A71-V73 VanDerWaalsContact C-N 3.34Å; A71-V73 PolarHBondContact O-N 3.22Å; A71-S74 PolarHBondContact O-N 3.5Å; A71-N75 WeakPolarHBondContact O-CB 3.45Å; A71-N75 PolarHBondContact O-N 2.96Å; A71-N75 PolarHBondContact O-ND2 3.36Å; A71-A155 HydrophobicContact CB-CB 4.37Å
72C94.8Very high94.2Very high0 Ų026.3 Ų26.30%015%0.146CC..Hα-helixtrans-62-41.2176.4-670000112I36 L68 L69 G70 C76 F80I36-C72 HydrophobicContact CD1-CB 4.11Å; I36-C72 VanDerWaalsContact CD1-SG 3.52Å; L68-C72 PolarHBondContact O-N 3.23Å; L68-C72 PolarHBondContact O-SG 2.93Å; L69-C72 PolarHBondContact O-N 2.89Å; G70-C72 PolarHBondContact O-N 3.23Å; C72-C76 WeakPolarHBondContact O-CB 3.21Å; C72-C76 PolarHBondContact O-N 2.88Å; C72-C76 PolarHBondContact O-SG 3.25Å; C72-F80 HydrophobicContact CB-CD1 4.14Å; C72-F80 HydrophobicContact CB-CD2 4.31Å; C72-F80 HydrophobicContact CB-CE1 3.65Å; C72-F80 HydrophobicContact CB-CE2 3.85Å; C72-F80 HydrophobicContact CB-CG 4.45Å; C72-F80 HydrophobicContact CB-CZ 3.49Å; C72-F80 VanDerWaalsContact CB-CZ 3.49Å
73V94.9Very high94.2Very high3 Ų328.7 Ų28.72%0.01816%0.157CC..Hα-helixtrans-63.9-41.5176.7174.40000111.6L69 G70 A71 F80 H81 V84 W115 F119L69-V73 WeakPolarHBondContact O-CG2 3.5Å; L69-V73 PolarHBondContact O-N 3.15Å; G70-V73 PolarHBondContact O-N 3.11Å; A71-V73 VanDerWaalsContact C-N 3.34Å; A71-V73 PolarHBondContact O-N 3.22Å; V73-F80 HydrophobicContact CG2-CD1 3.79Å; V73-F80 HydrophobicContact CG2-CE1 3.66Å; V73-H81 PolarHBondContact O-CD2 3.41Å; V73-H81 PolarHBondContact O-NE2 3.2Å; V73-V84 HydrophobicContact CG2-CG2 3.84Å; V73-W115 HydrophobicContact CB-CZ2 3.99Å; V73-W115 HydrophobicContact CG1-CD2 4.11Å; V73-W115 HydrophobicContact CG1-CG 4.1Å; V73-W115 HydrophobicContact CG1-CZ2 4.35Å; V73-W115 HydrophobicContact CG2-CD2 4.38Å; V73-W115 HydrophobicContact CG2-CH2 3.95Å; V73-W115 HydrophobicContact CG2-CZ2 3.57Å; V73-W115 HydrophobicContact CG2-CZ3 4.48Å; V73-F119 HydrophobicContact CG1-CE1 4.43Å; V73-F119 HydrophobicContact CG1-CZ 3.78Å
74S92.3Very high94.2Very high61 Ų6126 Ų2643%0.42714%0.143SC..Hα-helixtrans-71.6-36-179.5-60.10000113.3G70 A71G70-S74 PolarHBondContact O-N 3.49Å; G70-S74 PolarHBondContact O-OG 3.37Å; A71-S74 PolarHBondContact O-N 3.5Å
75N92Very high94.2Very high71 Ų7126.1 Ų26.138%0.3815%0.146SC..Hα-helixtrans-100-28-170.2-66.2-76.5000114.4C33 A71C33-N75 HydrophobicContact CB-CB 4.13Å; A71-N75 WeakPolarHBondContact O-CB 3.45Å; A71-N75 PolarHBondContact O-N 2.96Å; A71-N75 PolarHBondContact O-ND2 3.36Å
76C91.7Very high94.1Very high19 Ų1926.9 Ų26.913%0.12815%0.151CC..SBendtrans-88.5-7.2-172.6-58.30000114I36 C72 I79 F80I36-C76 HydrophobicContact CG2-CB 4.22Å; C72-C76 WeakPolarHBondContact O-CB 3.21Å; C72-C76 PolarHBondContact O-N 2.88Å; C72-C76 PolarHBondContact O-SG 3.25Å; C76-I79 WeakPolarHBondContact O-CG1 3.31Å; C76-F80 HydrophobicContact CB-CB 3.5Å; C76-F80 VanDerWaalsContact CB-CB 3.5Å; C76-F80 HydrophobicContact CB-CD2 4.4Å; C76-F80 HydrophobicContact CB-CG 4.07Å
77G90.8Very high93.9Very high27 Ų2737.1 Ų37.128%0.27819%0.189SC..THydrogen-bonded Turntrans61.2-155.7178.400000114.7I79 F80 H81G77-I79 VanDerWaalsContact C-N 3.25Å; G77-I79 PolarHBondContact O-N 3.39Å; G77-I79 VanDerWaalsContact O-N 3.11Å; G77-F80 PolarHBondContact O-N 3.03Å; G77-H81 PolarHBondContact O-CD2 2.97Å; G77-H81 VanDerWaalsContact O-CG 3.3Å; G77-H81 PolarHBondContact O-N 3.01Å; G77-H81 VanDerWaalsContact O-N 3.14Å; G77-H81 PolarHBondContact O-NE2 3.46Å
78K92.4Very high93.8Very high89 Ų8943 Ų4339%0.38722%0.217SC..Hα-helixtrans-59-30.6-167.6-172.8163178158.20114.3F80 H81 L82 D122K78-F80 PolarHBondContact O-N 3.39Å; K78-H81 PolarHBondContact O-N 3.28Å; K78-L82 HydrophobicContact CG-CG 4.43Å; K78-L82 WeakPolarHBondContact O-CG 3.33Å; K78-L82 PolarHBondContact O-N 2.96Å; K78-L82 VanDerWaalsContact O-N 3.12Å; K78-D122 WeakPolarHBondContact CE-OD2 3.49Å; K78-D122 IonicContact NZ-OD1 2.66Å; K78-D122 IonicContact NZ-OD2 3.22Å; K78-D122 PolarHBondContact NZ-OD2 2.98Å
79I92.9Very high93.8Very high90 Ų9043.2 Ų43.246%0.46222%0.217SC..Hα-helixtrans-62.3-30.817856.6166.5000112.6P43 C76 G77P43-I79 HydrophobicContact CG-CB 4.26Å; P43-I79 HydrophobicContact CG-CD1 4.09Å; P43-I79 HydrophobicContact CG-CG1 4.27Å; C76-I79 WeakPolarHBondContact O-CG1 3.31Å; G77-I79 VanDerWaalsContact C-N 3.25Å; G77-I79 PolarHBondContact O-N 3.39Å; G77-I79 VanDerWaalsContact O-N 3.11Å
80F95.3Very high93.6Very high0 Ų044.3 Ų44.30%023%0.227CC..Hα-helixtrans-91.2-34.3176.5-165-90.4000111.6I36 P43 L47 L69 C72 V73 C76 G77 K78 L82 E83 V84I36-F80 HydrophobicContact CD1-CD2 4.21Å; I36-F80 HydrophobicContact CD1-CE2 4.05Å; I36-F80 HydrophobicContact CG2-CD2 4.07Å; P43-F80 HydrophobicContact CB-CD2 3.95Å; L47-F80 HydrophobicContact CB-CE2 4.31Å; L47-F80 HydrophobicContact CB-CZ 4.26Å; L47-F80 HydrophobicContact CD1-CZ 4.13Å; L69-F80 HydrophobicContact CD1-CE1 4.02Å; L69-F80 HydrophobicContact CD1-CZ 4.07Å; C72-F80 HydrophobicContact CB-CD1 4.14Å; C72-F80 HydrophobicContact CB-CD2 4.31Å; C72-F80 HydrophobicContact CB-CE1 3.65Å; C72-F80 HydrophobicContact CB-CE2 3.85Å; C72-F80 HydrophobicContact CB-CG 4.45Å; C72-F80 HydrophobicContact CB-CZ 3.49Å; C72-F80 VanDerWaalsContact CB-CZ 3.49Å; V73-F80 HydrophobicContact CG2-CD1 3.79Å; V73-F80 HydrophobicContact CG2-CE1 3.66Å; C76-F80 HydrophobicContact CB-CB 3.5Å; C76-F80 VanDerWaalsContact CB-CB 3.5Å; C76-F80 HydrophobicContact CB-CD2 4.4Å; C76-F80 HydrophobicContact CB-CG 4.07Å; G77-F80 PolarHBondContact O-N 3.03Å; K78-F80 PolarHBondContact O-N 3.39Å; F80-L82 VanDerWaalsContact C-N 3.25Å; F80-L82 PolarHBondContact O-N 3.41Å; F80-E83 PolarHBondContact O-N 3.43Å; F80-V84 HydrophobicContact CD1-CG2 3.89Å; F80-V84 HydrophobicContact CE1-CG2 3.67Å; F80-V84 PolarHBondContact O-N 2.98Å; F80-V84 VanDerWaalsContact O-N 3.12Å
81H94.6Very high93.5Very high30 Ų3048 Ų4814%0.13925%0.252CS..Hα-helixtrans-57.6-38.4176-56166.3000112.3V73 G77 K78 E83 V84 C85 F119 L125V73-H81 PolarHBondContact O-CD2 3.41Å; V73-H81 PolarHBondContact O-NE2 3.2Å; G77-H81 PolarHBondContact O-CD2 2.97Å; G77-H81 VanDerWaalsContact O-CG 3.3Å; G77-H81 PolarHBondContact O-N 3.01Å; G77-H81 VanDerWaalsContact O-N 3.14Å; G77-H81 PolarHBondContact O-NE2 3.46Å; K78-H81 PolarHBondContact O-N 3.28Å; H81-E83 VanDerWaalsContact C-N 3.3Å; H81-E83 PolarHBondContact O-N 2.89Å; H81-V84 PolarHBondContact O-N 3.33Å; H81-C85 WeakPolarHBondContact O-CB 3.44Å; H81-C85 PolarHBondContact O-N 2.97Å; H81-C85 PolarHBondContact O-SG 3.38Å; H81-F119 HydrophobicContact CB-CE1 4.39Å; H81-F119 HydrophobicContact CB-CZ 4.1Å; H81-F119 AromaticContact CD2-CE1 3.87Å; H81-F119 AromaticContact CD2-CZ 3.71Å; H81-F119 AromaticContact CE1-CE1 3.7Å; H81-F119 AromaticContact CG-CE1 3.75Å; H81-F119 AromaticContact CG-CZ 3.74Å; H81-F119 AromaticContact ND1-CE1 3.67Å; H81-F119 AromaticContact NE2-CE1 3.84Å; H81-L125 HydrophobicContact CB-CD1 3.87Å; H81-L125 HydrophobicContact CB-CD2 3.76Å; H81-L125 HydrophobicContact CB-CG 4.5Å
82L93.7Very high93.6Very high81 Ų8151.4 Ų51.442%0.42427%0.268SS..Hα-helixtrans-63.4-33.3176.2-71.1173.3000113.2K78 F80 C85 L125K78-L82 HydrophobicContact CG-CG 4.43Å; K78-L82 WeakPolarHBondContact O-CG 3.33Å; K78-L82 PolarHBondContact O-N 2.96Å; K78-L82 VanDerWaalsContact O-N 3.12Å; F80-L82 VanDerWaalsContact C-N 3.25Å; F80-L82 PolarHBondContact O-N 3.41Å; L82-C85 CarbonylContact O-C 3.54Å; L82-L125 HydrophobicContact CD2-CD2 4.13Å
83E95.1Very high93.6Very high52 Ų5251.4 Ų51.424%0.24327%0.268CS..Hα-helixtrans-74.5-34.2176-65.3-65.8149.300111.5P43 K44 L47 F80 H81 S86P43-E83 HydrophobicContact CB-CG 3.84Å; K44-E83 HydrophobicContact CB-CG 4.34Å; K44-E83 WeakPolarHBondContact CB-OE2 3.3Å; K44-E83 WeakPolarHBondContact CG-OE2 3.48Å; L47-E83 HydrophobicContact CD2-CB 3.71Å; L47-E83 VanDerWaalsContact CD2-O 3.31Å; L47-E83 WeakPolarHBondContact CD2-O 3.31Å; F80-E83 PolarHBondContact O-N 3.43Å; H81-E83 VanDerWaalsContact C-N 3.3Å; H81-E83 PolarHBondContact O-N 2.89Å; E83-S86 WeakPolarHBondContact O-CB 3.29Å; E83-S86 PolarHBondContact O-OG 3.4Å
84V94.7Very high93.5Very high0 Ų053.2 Ų53.20%028%0.281CS..Hα-helixtrans-69.9-36.2172.3173.90000110.9L47 V73 F80 H81 S86 F89 W115 I128L47-V84 HydrophobicContact CD1-CG2 4.44Å; V73-V84 HydrophobicContact CG2-CG2 3.84Å; F80-V84 HydrophobicContact CD1-CG2 3.89Å; F80-V84 HydrophobicContact CE1-CG2 3.67Å; F80-V84 PolarHBondContact O-N 2.98Å; F80-V84 VanDerWaalsContact O-N 3.12Å; H81-V84 PolarHBondContact O-N 3.33Å; V84-S86 PolarHBondContact O-N 3.3Å; V84-F89 HydrophobicContact CG1-CD1 4.02Å; V84-F89 HydrophobicContact CG1-CE1 3.76Å; V84-F89 HydrophobicContact CG1-CZ 4.12Å; V84-F89 WeakPolarHBondContact O-CB 3.21Å; V84-F89 WeakPolarHBondContact O-CD1 3.38Å; V84-F89 WeakPolarHBondContact O-CG 3.45Å; V84-W115 HydrophobicContact CG1-CE3 3.82Å; V84-W115 HydrophobicContact CG1-CZ3 3.75Å; V84-I128 HydrophobicContact CG1-CD1 3.8Å; V84-I128 HydrophobicContact CG1-CG1 4.34Å
85C94.7Very high93.6Very high18 Ų1852.5 Ų52.512%0.12227%0.272CS..THydrogen-bonded Turntrans-81.146.4171.2-67.40000112.6H81 L82 L125 L127H81-C85 WeakPolarHBondContact O-CB 3.44Å; H81-C85 PolarHBondContact O-N 2.97Å; H81-C85 PolarHBondContact O-SG 3.38Å; L82-C85 CarbonylContact O-C 3.54Å; C85-L125 HydrophobicContact CB-CD2 4.18Å; C85-L125 PolarHBondContact SG-O 3.43Å; C85-L127 HydrophobicContact CB-CB 4.23Å; C85-L127 VanDerWaalsContact O-CD2 3.26Å; C85-L127 WeakPolarHBondContact O-CD2 3.38Å
86S94.4Very high93.7Very high16 Ų1649.3 Ų49.311%0.11226%0.255CS..SBendtrans-115.9161.2177.971.10000113.1E83 V84 E88 F89 A90 M131E83-S86 WeakPolarHBondContact O-CB 3.29Å; E83-S86 PolarHBondContact O-OG 3.4Å; V84-S86 PolarHBondContact O-N 3.3Å; S86-E88 VanDerWaalsContact C-N 3.31Å; S86-E88 WeakPolarHBondContact CB-OE2 3.48Å; S86-F89 WeakPolarHBondContact OG-CB 3.45Å; S86-F89 PolarHBondContact OG-N 3.14Å; S86-F89 VanDerWaalsContact OG-N 3.12Å; S86-A90 PolarHBondContact O-N 3.21Å; S86-A90 VanDerWaalsContact O-N 3.15Å; S86-M131 WeakPolarHBondContact O-CE 3.46Å
87R91.9Very high93.7Very high214 Ų21449.7 Ų49.781%0.80826%0.256SS*.Hα-helixtrans-70.9-32.5175.3-70.5-177175.9-170-0.9111.5A90 S91R87-A90 WeakPolarHBondContact O-CB 3.44Å; R87-A90 PolarHBondContact O-N 3.2Å; R87-S91 PolarHBondContact O-N 2.95Å
88E92.7Very high93.7Very high131 Ų13154.5 Ų54.561%0.61228%0.275SS*.Hα-helixtrans-60.9-48.1175.8-65.770.2-156.800109.8S86 A90 S91 E92S86-E88 VanDerWaalsContact C-N 3.31Å; S86-E88 WeakPolarHBondContact CB-OE2 3.48Å; E88-A90 PolarHBondContact O-N 3.22Å; E88-S91 PolarHBondContact O-N 3Å; E88-E92 WeakPolarHBondContact O-CG 3.31Å; E88-E92 PolarHBondContact O-N 3.15Å; E88-E92 VanDerWaalsContact O-N 3.09Å
89F95.3Very high93.6Very high4 Ų458.2 Ų58.22%0.01829%0.291CS..Hα-helixtrans-61.8-42.7175.1-175.5-103000112.2L47 M51 L69 V84 S86 S91 E92 V93 W115 I128 M131L47-F89 HydrophobicContact CD1-CD2 4.13Å; L47-F89 HydrophobicContact CD1-CE2 4.34Å; L47-F89 HydrophobicContact CD2-CD2 4.37Å; M51-F89 HydrophobicContact CE-CE2 4.26Å; M51-F89 HydrophobicContact CG-CD2 4.49Å; M51-F89 HydrophobicContact SD-CD2 4.25Å; M51-F89 HydrophobicContact SD-CE2 3.85Å; L69-F89 HydrophobicContact CD2-CE2 4.13Å; L69-F89 HydrophobicContact CD2-CZ 4.39Å; V84-F89 HydrophobicContact CG1-CD1 4.02Å; V84-F89 HydrophobicContact CG1-CE1 3.76Å; V84-F89 HydrophobicContact CG1-CZ 4.12Å; V84-F89 WeakPolarHBondContact O-CB 3.21Å; V84-F89 WeakPolarHBondContact O-CD1 3.38Å; V84-F89 WeakPolarHBondContact O-CG 3.45Å; S86-F89 WeakPolarHBondContact OG-CB 3.45Å; S86-F89 PolarHBondContact OG-N 3.14Å; S86-F89 VanDerWaalsContact OG-N 3.12Å; F89-S91 VanDerWaalsContact C-N 3.3Å; F89-S91 PolarHBondContact O-N 3.29Å; F89-E92 PolarHBondContact O-N 3.06Å; F89-E92 VanDerWaalsContact O-N 3.16Å; F89-V93 HydrophobicContact CD1-CG2 3.8Å; F89-V93 HydrophobicContact CD2-CG2 4.45Å; F89-V93 HydrophobicContact CE1-CG2 3.34Å; F89-V93 HydrophobicContact CE2-CG2 4.04Å; F89-V93 HydrophobicContact CG-CG2 4.34Å; F89-V93 HydrophobicContact CZ-CG2 3.46Å; F89-V93 VanDerWaalsContact CZ-CG2 3.46Å; F89-V93 WeakPolarHBondContact O-CG2 3.31Å; F89-V93 PolarHBondContact O-N 3.21Å; F89-W115 HydrophobicContact CE1-CZ3 4.27Å; F89-W115 AromaticContact CZ-CZ3 3.88Å; F89-W115 HydrophobicContact CZ-CZ3 3.88Å; F89-I128 HydrophobicContact CD1-CD1 4.14Å; F89-I128 HydrophobicContact CE1-CD1 3.98Å; F89-M131 HydrophobicContact CD1-CE 4.48Å
90A93.1Very high93.5Very high23 Ų2355.4 Ų55.419%0.1929%0.285CS..Hα-helixtrans-56.8-43.2177.300000113S86 R87 E88 S94 M131S86-A90 PolarHBondContact O-N 3.21Å; S86-A90 VanDerWaalsContact O-N 3.15Å; R87-A90 WeakPolarHBondContact O-CB 3.44Å; R87-A90 PolarHBondContact O-N 3.2Å; E88-A90 PolarHBondContact O-N 3.22Å; A90-S94 WeakPolarHBondContact O-CB 3.33Å; A90-S94 PolarHBondContact O-N 2.98Å; A90-S94 PolarHBondContact O-OG 3.31Å; A90-M131 HydrophobicContact CB-CE 3.48Å; A90-M131 VanDerWaalsContact CB-CE 3.48Å; A90-M131 HydrophobicContact CB-CG 4.18Å; A90-M131 HydrophobicContact CB-SD 3.48Å; A90-M131 WeakPolarHBondContact CB-SD 3.44Å
91S93.3Very high93.4Very high78 Ų7859.4 Ų59.455%0.54530%0.304SS..Hα-helixtrans-64.8-44.1177.5-179.20000111.2R87 E88 F89 S94 N95R87-S91 PolarHBondContact O-N 2.95Å; E88-S91 PolarHBondContact O-N 3Å; F89-S91 VanDerWaalsContact C-N 3.3Å; F89-S91 PolarHBondContact O-N 3.29Å; S91-S94 PolarHBondContact O-N 3.34Å; S91-N95 PolarHBondContact O-N 3.01Å
92E94.9Very high93.3Very high72 Ų7262.5 Ų62.534%0.33633%0.326SS..Hα-helixtrans-64.9-44.7177.5-71.3-60.514100112.4M51 N55 E88 F89 S94 N95 V96M51-E92 HydrophobicContact CE-CB 3.47Å; M51-E92 VanDerWaalsContact CE-CB 3.47Å; M51-E92 HydrophobicContact CE-CG 4.39Å; N55-E92 PolarHBondContact ND2-OE2 3.24Å; E88-E92 WeakPolarHBondContact O-CG 3.31Å; E88-E92 PolarHBondContact O-N 3.15Å; E88-E92 VanDerWaalsContact O-N 3.09Å; F89-E92 PolarHBondContact O-N 3.06Å; F89-E92 VanDerWaalsContact O-N 3.16Å; E92-S94 VanDerWaalsContact C-N 3.3Å; E92-S94 PolarHBondContact O-N 3.22Å; E92-N95 WeakPolarHBondContact O-CB 3.5Å; E92-N95 PolarHBondContact O-N 3.02Å; E92-N95 VanDerWaalsContact O-N 3.1Å; E92-V96 WeakPolarHBondContact O-CG2 3.34Å; E92-V96 PolarHBondContact O-N 2.94Å
93V94.6Very high93.1Very high1 Ų165.3 Ų65.31%0.00634%0.335CS..Hα-helixtrans-55.2-48173.9167.60000110.6F89 N95 V96 L97 L108 M112 L135F89-V93 HydrophobicContact CD1-CG2 3.8Å; F89-V93 HydrophobicContact CD2-CG2 4.45Å; F89-V93 HydrophobicContact CE1-CG2 3.34Å; F89-V93 HydrophobicContact CE2-CG2 4.04Å; F89-V93 HydrophobicContact CG-CG2 4.34Å; F89-V93 HydrophobicContact CZ-CG2 3.46Å; F89-V93 VanDerWaalsContact CZ-CG2 3.46Å; F89-V93 WeakPolarHBondContact O-CG2 3.31Å; F89-V93 PolarHBondContact O-N 3.21Å; V93-N95 VanDerWaalsContact C-N 3.3Å; V93-N95 PolarHBondContact O-N 2.74Å; V93-V96 PolarHBondContact O-N 3.07Å; V93-L97 HydrophobicContact CG1-CD1 3.88Å; V93-L97 HydrophobicContact CG1-CG 4.25Å; V93-L97 WeakPolarHBondContact O-CB 3.47Å; V93-L97 VanDerWaalsContact O-CG 3.29Å; V93-L97 WeakPolarHBondContact O-CG 3.35Å; V93-L97 PolarHBondContact O-N 3.08Å; V93-L108 HydrophobicContact CG1-CD2 4.26Å; V93-L108 HydrophobicContact CG2-CD1 4.49Å; V93-L108 HydrophobicContact CG2-CD2 4.41Å; V93-M112 HydrophobicContact CG1-CE 3.94Å; V93-M112 HydrophobicContact CG1-SD 3.52Å; V93-M112 VanDerWaalsContact CG1-SD 3.52Å; V93-M112 HydrophobicContact CG2-SD 4.47Å; V93-L135 HydrophobicContact CG1-CD1 4.25Å
94S92.9Very high93.1Very high40 Ų4063 Ų6328%0.2832%0.324SS..Hα-helixtrans-61.2-39.8178.2-58.30000111.6A90 S91 E92 N98A90-S94 WeakPolarHBondContact O-CB 3.33Å; A90-S94 PolarHBondContact O-N 2.98Å; A90-S94 PolarHBondContact O-OG 3.31Å; S91-S94 PolarHBondContact O-N 3.34Å; E92-S94 VanDerWaalsContact C-N 3.3Å; E92-S94 PolarHBondContact O-N 3.22Å; S94-N98 WeakPolarHBondContact O-CB 3.39Å; S94-N98 PolarHBondContact O-N 3.42Å; S94-N98 PolarHBondContact O-ND2 3.46Å
95N93.6Very high93Very high47 Ų4763.6 Ų63.625%0.25133%0.328SS..Hα-helixtrans-65.6-44.8176.2-177.263.6000112.1N55 S91 E92 V93 N98 K99N55-N95 PolarHBondContact OD1-ND2 3.43Å; S91-N95 PolarHBondContact O-N 3.01Å; E92-N95 WeakPolarHBondContact O-CB 3.5Å; E92-N95 PolarHBondContact O-N 3.02Å; E92-N95 VanDerWaalsContact O-N 3.1Å; V93-N95 VanDerWaalsContact C-N 3.3Å; V93-N95 PolarHBondContact O-N 2.74Å; N95-N98 PolarHBondContact O-N 2.84Å; N95-K99 PolarHBondContact O-N 3.05Å; N95-K99 WeakPolarHBondContact OD1-CD 3.48Å; N95-K99 WeakPolarHBondContact OD1-CE 3.07Å; N95-K99 PolarHBondContact OD1-NZ 2.8Å
96V94.5Very high93Very high3 Ų368.1 Ų68.12%0.01835%0.348CS..Hα-helixtrans-63.6-44177.9174.90000110.8M51 V54 E92 V93 N98 K99 G100 V104 C105 L108M51-V96 HydrophobicContact CE-CG2 4.28Å; V54-V96 HydrophobicContact CG1-CG1 4.05Å; V54-V96 HydrophobicContact CG1-CG2 3.86Å; E92-V96 WeakPolarHBondContact O-CG2 3.34Å; E92-V96 PolarHBondContact O-N 2.94Å; V93-V96 PolarHBondContact O-N 3.07Å; V96-N98 VanDerWaalsContact C-N 3.26Å; V96-N98 PolarHBondContact O-N 3.47Å; V96-K99 PolarHBondContact O-N 2.87Å; V96-G100 WeakPolarHBondContact O-CA 3.43Å; V96-G100 PolarHBondContact O-N 3.07Å; V96-V104 HydrophobicContact CG1-CG1 4.28Å; V96-C105 PolarHBondContact O-SG 2.86Å; V96-C105 VanDerWaalsContact O-SG 3.34Å; V96-L108 HydrophobicContact CB-CD2 4Å; V96-L108 HydrophobicContact CG1-CD2 3.73Å
97L92.4Very high92.9Very high27 Ų2768.9 Ų68.914%0.14135%0.349CS..Hα-helixtrans-66.1-28.2179.5-67.3-178.6000113.4V93 C105 L108 K109 L135 V140V93-L97 HydrophobicContact CG1-CD1 3.88Å; V93-L97 HydrophobicContact CG1-CG 4.25Å; V93-L97 WeakPolarHBondContact O-CB 3.47Å; V93-L97 VanDerWaalsContact O-CG 3.29Å; V93-L97 WeakPolarHBondContact O-CG 3.35Å; V93-L97 PolarHBondContact O-N 3.08Å; L97-C105 HydrophobicContact CD2-CB 3.87Å; L97-L108 HydrophobicContact CD2-CD2 4.18Å; L97-L108 HydrophobicContact CG-CD2 4.39Å; L97-K109 HydrophobicContact CD2-CD 4.41Å; L97-K109 HydrophobicContact CD2-CG 3.91Å; L97-L135 HydrophobicContact CD1-CD1 3.88Å; L97-L135 HydrophobicContact CD1-CD2 4.21Å; L97-V140 HydrophobicContact CD1-CG1 4.46Å
98N91.3Very high93Very high129 Ų12958.7 Ų58.769%0.6931%0.311SS*.Hα-helixtrans-86-31.7179.8-76.9-50.1000113.8S94 N95 V96S94-N98 WeakPolarHBondContact O-CB 3.39Å; S94-N98 PolarHBondContact O-N 3.42Å; S94-N98 PolarHBondContact O-ND2 3.46Å; N95-N98 PolarHBondContact O-N 2.84Å; V96-N98 VanDerWaalsContact C-N 3.26Å; V96-N98 PolarHBondContact O-N 3.47Å
99K90.7Very high93Very high166 Ų16654.5 Ų54.572%0.72229%0.29SS*.Hα-helixtrans-118.5-14.1-172.9-64-179.8-173.81540114.6N95 V96N95-K99 PolarHBondContact O-N 3.05Å; N95-K99 WeakPolarHBondContact OD1-CD 3.48Å; N95-K99 WeakPolarHBondContact OD1-CE 3.07Å; N95-K99 PolarHBondContact OD1-NZ 2.8Å; V96-K99 PolarHBondContact O-N 2.87Å
100G90.1Very high92.9Very high32 Ų3254.4 Ų54.433%0.3329%0.29SS..SBendtrans-77.8165.7-172.800000113.5V96V96-G100 WeakPolarHBondContact O-CA 3.43Å; V96-G100 PolarHBondContact O-N 3.07Å
101H93.2Very high92.9Very high84 Ų8453.3 Ų53.339%0.38928%0.281SS..  trans-68.2141.4176.7-179-91.4000111.2P59 K103 V104 C105P59-H101 HydrophobicContact CB-CB 3.94Å; H101-K103 VanDerWaalsContact C-N 3.33Å; H101-K103 PolarHBondContact ND1-N 3.36Å; H101-K103 PolarHBondContact O-N 3.49Å; H101-K103 VanDerWaalsContact O-N 3.15Å; H101-V104 HydrophobicContact CB-CB 4.41Å; H101-V104 HydrophobicContact CB-CG2 4.01Å; H101-V104 WeakPolarHBondContact O-CA 3.23Å; H101-V104 WeakPolarHBondContact O-CB 3.5Å; H101-V104 PolarHBondContact O-N 3.36Å; H101-C105 PolarHBondContact O-N 3.43Å; H101-C105 PolarHBondContact O-SG 2.85Å; H101-C105 VanDerWaalsContact O-SG 3.38Å
102P92Very high92.9Very high95 Ų9549.6 Ų49.662%0.61726%0.255SS*.Hα-helixtrans-51.4-44-174.4-30.335.4000115.1V104 C105 E106P102-V104 VanDerWaalsContact C-N 3.34Å; P102-V104 PolarHBondContact O-N 2.99Å; P102-C105 PolarHBondContact O-N 3.06Å; P102-E106 WeakPolarHBondContact O-CB 3.43Å; P102-E106 PolarHBondContact O-N 2.99Å
103K90.5Very high92.9Very high140 Ų14046.5 Ų46.561%0.60924%0.241SC*.Hα-helixtrans-64.3-36.8177.7-67.8-173.9174.9-174.80113.3M63 H101 E106 K107M63-K103 HydrophobicContact SD-CB 4.38Å; H101-K103 VanDerWaalsContact C-N 3.33Å; H101-K103 PolarHBondContact ND1-N 3.36Å; H101-K103 PolarHBondContact O-N 3.49Å; H101-K103 VanDerWaalsContact O-N 3.15Å; K103-E106 PolarHBondContact O-N 2.9Å; K103-K107 PolarHBondContact O-N 3.04Å
104V94.1Very high92.7Very high3 Ų347.7 Ų47.72%0.01825%0.247CC..Hα-helixtrans-68.2-44.9177.61780000109V54 P59 A62 M63 L66 V96 H101 P102 E106 K107 L108V54-V104 HydrophobicContact CG1-CG1 4.47Å; P59-V104 HydrophobicContact CB-CG2 4.31Å; A62-V104 HydrophobicContact CB-CG1 4.01Å; A62-V104 HydrophobicContact CB-CG2 3.79Å; M63-V104 HydrophobicContact CG-CG2 4Å; M63-V104 HydrophobicContact SD-CB 4.43Å; M63-V104 HydrophobicContact SD-CG2 3.95Å; L66-V104 HydrophobicContact CD1-CB 4.35Å; L66-V104 HydrophobicContact CD1-CG1 3.55Å; L66-V104 VanDerWaalsContact CD1-O 3.24Å; L66-V104 WeakPolarHBondContact CD1-O 3.47Å; L66-V104 HydrophobicContact CG-CG1 4.39Å; V96-V104 HydrophobicContact CG1-CG1 4.28Å; H101-V104 HydrophobicContact CB-CB 4.41Å; H101-V104 HydrophobicContact CB-CG2 4.01Å; H101-V104 WeakPolarHBondContact O-CA 3.23Å; H101-V104 WeakPolarHBondContact O-CB 3.5Å; H101-V104 PolarHBondContact O-N 3.36Å; P102-V104 VanDerWaalsContact C-N 3.34Å; P102-V104 PolarHBondContact O-N 2.99Å; V104-E106 VanDerWaalsContact C-N 3.32Å; V104-E106 PolarHBondContact O-N 3.11Å; V104-K107 PolarHBondContact O-N 3.48Å; V104-L108 WeakPolarHBondContact O-CB 3.32Å; V104-L108 PolarHBondContact O-N 3.27Å
105C93.8Very high92.7Very high12 Ų1245.8 Ų45.88%0.08123%0.233CC..Hα-helixtrans-61.2-39.9175.5-60.90000112.2V96 L97 H101 P102 K109V96-C105 PolarHBondContact O-SG 2.86Å; V96-C105 VanDerWaalsContact O-SG 3.34Å; L97-C105 HydrophobicContact CD2-CB 3.87Å; H101-C105 PolarHBondContact O-N 3.43Å; H101-C105 PolarHBondContact O-SG 2.85Å; H101-C105 VanDerWaalsContact O-SG 3.38Å; P102-C105 PolarHBondContact O-N 3.06Å; C105-K109 WeakPolarHBondContact O-CB 3.33Å; C105-K109 WeakPolarHBondContact O-CD 3.36Å; C105-K109 WeakPolarHBondContact O-CG 3.45Å; C105-K109 PolarHBondContact O-N 3.45Å
106E92.9Very high92.6Very high113 Ų11344.2 Ų44.253%0.52823%0.227SC..Hα-helixtrans-64.5-49177.3-171.6176.4-175.700112P102 K103 V104 L108 K109 A110P102-E106 WeakPolarHBondContact O-CB 3.43Å; P102-E106 PolarHBondContact O-N 2.99Å; K103-E106 PolarHBondContact O-N 2.9Å; V104-E106 VanDerWaalsContact C-N 3.32Å; V104-E106 PolarHBondContact O-N 3.11Å; E106-L108 VanDerWaalsContact C-N 3.34Å; E106-L108 PolarHBondContact O-N 2.66Å; E106-K109 PolarHBondContact O-N 3.39Å; E106-A110 WeakPolarHBondContact O-CB 3.49Å; E106-A110 PolarHBondContact O-N 3.01Å
107K92.6Very high92.4Very high32 Ų3247.6 Ų47.614%0.13924%0.242CC..Hα-helixtrans-60.1-42.9175.5-176.980.3-177.7-159.90111.4M63 L66 K103 V104 A110 L111 Q152 A153M63-K107 HydrophobicContact CE-CB 3.98Å; M63-K107 HydrophobicContact CE-CD 4.25Å; M63-K107 HydrophobicContact CE-CG 4.07Å; M63-K107 HydrophobicContact SD-CB 4.12Å; L66-K107 HydrophobicContact CB-CG 4.18Å; L66-K107 HydrophobicContact CD1-CB 3.96Å; L66-K107 HydrophobicContact CD1-CG 4.05Å; K103-K107 PolarHBondContact O-N 3.04Å; V104-K107 PolarHBondContact O-N 3.48Å; K107-A110 WeakPolarHBondContact O-CB 3.27Å; K107-A110 PolarHBondContact O-N 3.32Å; K107-L111 WeakPolarHBondContact O-CG 3.48Å; K107-L111 PolarHBondContact O-N 3.4Å; K107-Q152 PolarHBondContact NZ-O 3.44Å; K107-A153 HydrophobicContact CD-CB 4.27Å; K107-A153 WeakPolarHBondContact CE-O 3.29Å; K107-A153 VanDerWaalsContact NZ-CA 3.28Å; K107-A153 PolarHBondContact NZ-O 2.93Å
108L94.4Very high92.2Very high0 Ų050.8 Ų50.80%026%0.26CS..Hα-helixtrans-62.6-44177.6178.759.8000111.9L66 V93 V96 L97 V104 E106 A110 L111 M112L66-L108 HydrophobicContact CD1-CB 4.11Å; L66-L108 HydrophobicContact CD2-CB 4.18Å; L66-L108 HydrophobicContact CD2-CD1 3.89Å; V93-L108 HydrophobicContact CG1-CD2 4.26Å; V93-L108 HydrophobicContact CG2-CD1 4.49Å; V93-L108 HydrophobicContact CG2-CD2 4.41Å; V96-L108 HydrophobicContact CB-CD2 4Å; V96-L108 HydrophobicContact CG1-CD2 3.73Å; L97-L108 HydrophobicContact CD2-CD2 4.18Å; L97-L108 HydrophobicContact CG-CD2 4.39Å; V104-L108 WeakPolarHBondContact O-CB 3.32Å; V104-L108 PolarHBondContact O-N 3.27Å; E106-L108 VanDerWaalsContact C-N 3.34Å; E106-L108 PolarHBondContact O-N 2.66Å; L108-A110 VanDerWaalsContact C-N 3.3Å; L108-A110 PolarHBondContact O-N 3.02Å; L108-L111 PolarHBondContact O-N 3.17Å; L108-M112 WeakPolarHBondContact O-CG 3.42Å; L108-M112 PolarHBondContact O-N 2.94Å
109K93.4Very high92.2Very high44 Ų4445.1 Ų45.119%0.19123%0.229CC..Hα-helixtrans-61.8-39.7175.5-72.2166.1-179.7-165.50112L97 C105 E106 M112 V113 V140 T141 F142L97-K109 HydrophobicContact CD2-CD 4.41Å; L97-K109 HydrophobicContact CD2-CG 3.91Å; C105-K109 WeakPolarHBondContact O-CB 3.33Å; C105-K109 WeakPolarHBondContact O-CD 3.36Å; C105-K109 WeakPolarHBondContact O-CG 3.45Å; C105-K109 PolarHBondContact O-N 3.45Å; E106-K109 PolarHBondContact O-N 3.39Å; K109-M112 PolarHBondContact O-N 3.18Å; K109-V113 WeakPolarHBondContact O-CG2 3.24Å; K109-V113 PolarHBondContact O-N 3.15Å; K109-V113 VanDerWaalsContact O-N 3.09Å; K109-V140 HydrophobicContact CD-CG1 4.36Å; K109-T141 WeakPolarHBondContact CD-O 3.49Å; K109-T141 PolarHBondContact NZ-O 3.3Å; K109-F142 HydrophobicContact CB-CD1 3.85Å; K109-F142 HydrophobicContact CB-CE1 4.13Å; K109-F142 HydrophobicContact CG-CD1 4.03Å; K109-F142 HydrophobicContact CG-CE1 3.96Å
110A92.6Very high92.1Very high1 Ų145.3 Ų45.31%0.00823%0.225CC..Hα-helixtrans-63.6-46.1178.100000111.5E106 K107 L108 M112 V113 E114 P143 A149 A153E106-A110 WeakPolarHBondContact O-CB 3.49Å; E106-A110 PolarHBondContact O-N 3.01Å; K107-A110 WeakPolarHBondContact O-CB 3.27Å; K107-A110 PolarHBondContact O-N 3.32Å; L108-A110 VanDerWaalsContact C-N 3.3Å; L108-A110 PolarHBondContact O-N 3.02Å; A110-M112 PolarHBondContact O-N 3.43Å; A110-V113 PolarHBondContact O-N 3.38Å; A110-E114 PolarHBondContact O-N 3.22Å; A110-P143 HydrophobicContact CB-CG 4.18Å; A110-A149 WeakPolarHBondContact CB-O 3.49Å; A110-A153 HydrophobicContact CB-CB 3.66Å
111L93.4Very high92.1Very high1 Ų150.4 Ų50.41%0.00525%0.245CC..Hα-helixtrans-58.8-44.6173.7-73.7172.8000112.2L66 K107 L108 V113 E114 W115 A153L66-L111 HydrophobicContact CB-CD1 4.31Å; L66-L111 HydrophobicContact CD2-CD1 4.47Å; K107-L111 WeakPolarHBondContact O-CG 3.48Å; K107-L111 PolarHBondContact O-N 3.4Å; L108-L111 PolarHBondContact O-N 3.17Å; L111-V113 VanDerWaalsContact C-N 3.32Å; L111-V113 PolarHBondContact O-N 2.9Å; L111-E114 PolarHBondContact O-N 3.47Å; L111-W115 HydrophobicContact CB-CH2 4.05Å; L111-W115 HydrophobicContact CB-CZ2 3.76Å; L111-W115 HydrophobicContact CD1-CH2 4.39Å; L111-W115 HydrophobicContact CD1-CZ2 4.14Å; L111-W115 HydrophobicContact CD2-CZ2 4.07Å; L111-W115 HydrophobicContact CG-CZ2 4.21Å; L111-W115 VanDerWaalsContact O-CD2 3.31Å; L111-W115 PolarHBondContact O-N 2.79Å; L111-A153 HydrophobicContact CD2-CB 4.16Å; L111-A153 HydrophobicContact CG-CB 4.32Å
112M93.9Very high91.9Very high0 Ų048.2 Ų48.20%024%0.236CC..Hα-helixtrans-60.4-41.4177.8-71.1-179.578.200112.4V93 L108 K109 A110 W115 A116 M131 I132 L135 F142V93-M112 HydrophobicContact CG1-CE 3.94Å; V93-M112 HydrophobicContact CG1-SD 3.52Å; V93-M112 VanDerWaalsContact CG1-SD 3.52Å; V93-M112 HydrophobicContact CG2-SD 4.47Å; L108-M112 WeakPolarHBondContact O-CG 3.42Å; L108-M112 PolarHBondContact O-N 2.94Å; K109-M112 PolarHBondContact O-N 3.18Å; A110-M112 PolarHBondContact O-N 3.43Å; M112-W115 PolarHBondContact O-N 3.47Å; M112-A116 WeakPolarHBondContact O-CB 2.99Å; M112-A116 PolarHBondContact O-N 3.43Å; M112-M131 HydrophobicContact CE-CB 4.05Å; M112-I132 HydrophobicContact CB-CD1 4.04Å; M112-I132 HydrophobicContact CB-CG1 4.2Å; M112-I132 HydrophobicContact CE-CG1 3.99Å; M112-I132 VanDerWaalsContact O-CD1 3.31Å; M112-I132 WeakPolarHBondContact O-CD1 3Å; M112-L135 HydrophobicContact CE-CD1 4.12Å; M112-F142 HydrophobicContact CB-CE1 4.48Å; M112-F142 HydrophobicContact SD-CE1 4.24Å
113V93.2Very high91.7Very high7 Ų748.7 Ų48.74%0.04224%0.239CC..Hα-helixtrans-65.6-41.5178.5170.60000111.1K109 A110 L111 A116 E117 I132 F142 P143 V145K109-V113 WeakPolarHBondContact O-CG2 3.24Å; K109-V113 PolarHBondContact O-N 3.15Å; K109-V113 VanDerWaalsContact O-N 3.09Å; A110-V113 PolarHBondContact O-N 3.38Å; L111-V113 VanDerWaalsContact C-N 3.32Å; L111-V113 PolarHBondContact O-N 2.9Å; V113-A116 PolarHBondContact O-N 3.39Å; V113-E117 PolarHBondContact O-N 2.82Å; V113-I132 HydrophobicContact CG2-CD1 4.42Å; V113-F142 HydrophobicContact CG2-CB 3.95Å; V113-F142 HydrophobicContact CG2-CD1 3.79Å; V113-F142 HydrophobicContact CG2-CG 4.28Å; V113-P143 HydrophobicContact CG2-CG 4.34Å; V113-V145 HydrophobicContact CG1-CB 4.41Å; V113-V145 HydrophobicContact CG1-CG2 3.65Å
114E90.8Very high91.5Very high25 Ų2548.1 Ų48.112%0.11724%0.239CC..Hα-helixtrans-59.9-51.5174.5-178.6174.6-164.600111A110 L111 A116 E117 D118 K154A110-E114 PolarHBondContact O-N 3.22Å; L111-E114 PolarHBondContact O-N 3.47Å; E114-A116 VanDerWaalsContact C-N 3.3Å; E114-A116 PolarHBondContact O-N 3.1Å; E114-E117 PolarHBondContact O-N 3.39Å; E114-E117 VanDerWaalsContact O-N 3.08Å; E114-D118 PolarHBondContact O-N 3.24Å; E114-K154 VanDerWaalsContact OE1-CD 3.26Å; E114-K154 WeakPolarHBondContact OE1-CD 3.38Å; E114-K154 WeakPolarHBondContact OE1-CE 3.34Å; E114-K154 VanDerWaalsContact OE1-CG 3.25Å; E114-K154 WeakPolarHBondContact OE1-CG 3.29Å; E114-K154 IonicContact OE1-NZ 2.74Å
115W93.6Very high91.4Very high1 Ų148.2 Ų48.20%0.00424%0.239CC..Hα-helixtrans-64.7-32.6-179.2-57.8-19.2000113.2L69 V73 V84 F89 L111 M112 E117 D118 F119 I128L69-W115 HydrophobicContact CD2-CH2 3.78Å; L69-W115 HydrophobicContact CG-CH2 3.79Å; L69-W115 HydrophobicContact CG-CZ2 4.33Å; V73-W115 HydrophobicContact CB-CZ2 3.99Å; V73-W115 HydrophobicContact CG1-CD2 4.11Å; V73-W115 HydrophobicContact CG1-CG 4.1Å; V73-W115 HydrophobicContact CG1-CZ2 4.35Å; V73-W115 HydrophobicContact CG2-CD2 4.38Å; V73-W115 HydrophobicContact CG2-CH2 3.95Å; V73-W115 HydrophobicContact CG2-CZ2 3.57Å; V73-W115 HydrophobicContact CG2-CZ3 4.48Å; V84-W115 HydrophobicContact CG1-CE3 3.82Å; V84-W115 HydrophobicContact CG1-CZ3 3.75Å; F89-W115 HydrophobicContact CE1-CZ3 4.27Å; F89-W115 AromaticContact CZ-CZ3 3.88Å; F89-W115 HydrophobicContact CZ-CZ3 3.88Å; L111-W115 HydrophobicContact CB-CH2 4.05Å; L111-W115 HydrophobicContact CB-CZ2 3.76Å; L111-W115 HydrophobicContact CD1-CH2 4.39Å; L111-W115 HydrophobicContact CD1-CZ2 4.14Å; L111-W115 HydrophobicContact CD2-CZ2 4.07Å; L111-W115 HydrophobicContact CG-CZ2 4.21Å; L111-W115 VanDerWaalsContact O-CD2 3.31Å; L111-W115 PolarHBondContact O-N 2.79Å; M112-W115 PolarHBondContact O-N 3.47Å; W115-E117 PolarHBondContact O-N 3.06Å; W115-D118 PolarHBondContact O-N 2.91Å; W115-F119 HydrophobicContact CB-CD2 4.05Å; W115-F119 HydrophobicContact CB-CE2 3.68Å; W115-F119 HydrophobicContact CB-CZ 4.02Å; W115-F119 HydrophobicContact CG-CE2 4.3Å; W115-F119 HydrophobicContact CG-CZ 4.3Å; W115-F119 WeakPolarHBondContact O-CB 3.5Å; W115-F119 VanDerWaalsContact O-CD2 3.24Å; W115-F119 WeakPolarHBondContact O-CD2 3.47Å; W115-F119 WeakPolarHBondContact O-CG 3.35Å; W115-F119 PolarHBondContact O-N 3.48Å; W115-I128 HydrophobicContact CB-CG2 4.44Å
116A91.6Very high91.4Very high14 Ų1450.8 Ų50.812%0.11626%0.257CS..Hα-helixtrans-63.3-32175.400000112.8M112 V113 E114 I128 I132M112-A116 WeakPolarHBondContact O-CB 2.99Å; M112-A116 PolarHBondContact O-N 3.43Å; V113-A116 PolarHBondContact O-N 3.39Å; E114-A116 VanDerWaalsContact C-N 3.3Å; E114-A116 PolarHBondContact O-N 3.1Å; A116-I128 HydrophobicContact CB-CG2 4.27Å; A116-I132 HydrophobicContact CB-CD1 3.56Å
117E89.8Confident91.4Very high73 Ų7348.3 Ų48.334%0.34125%0.247SC..Hα-helixtrans-77.3-46.1172.7-73.1-62.4138.700111.5V113 E114 W115 F119 R120 V145V113-E117 PolarHBondContact O-N 2.82Å; E114-E117 PolarHBondContact O-N 3.39Å; E114-E117 VanDerWaalsContact O-N 3.08Å; W115-E117 PolarHBondContact O-N 3.06Å; E117-F119 PolarHBondContact O-N 2.94Å; E117-R120 WeakPolarHBondContact O-CB 3.38Å; E117-R120 VanDerWaalsContact O-CD 3.29Å; E117-R120 WeakPolarHBondContact O-CD 3.39Å; E117-R120 WeakPolarHBondContact O-CG 3.11Å; E117-R120 PolarHBondContact O-N 3.03Å; E117-R120 IonicContact OE2-NH1 2.8Å; E117-R120 PolarHBondContact OE2-NH1 3.29Å; E117-V145 HydrophobicContact CG-CG1 3.74Å; E117-V145 HydrophobicContact CG-CG2 3.94Å
118D87.7Confident91.4Very high95 Ų9546.8 Ų46.851%0.50824%0.24SC..Hα-helixtrans-60.7-35-179.9-69.4-12.7000111.8E114 W115E114-D118 PolarHBondContact O-N 3.24Å; W115-D118 PolarHBondContact O-N 2.91Å
119F91.9Very high91.3Very high10 Ų1048.4 Ų48.44%0.04425%0.252CS..THydrogen-bonded Turntrans-90.60.7-176.8-59.8-14.5000114.1V73 H81 W115 E117 N121 D122 L125 I128V73-F119 HydrophobicContact CG1-CE1 4.43Å; V73-F119 HydrophobicContact CG1-CZ 3.78Å; H81-F119 HydrophobicContact CB-CE1 4.39Å; H81-F119 HydrophobicContact CB-CZ 4.1Å; H81-F119 AromaticContact CD2-CE1 3.87Å; H81-F119 AromaticContact CD2-CZ 3.71Å; H81-F119 AromaticContact CE1-CE1 3.7Å; H81-F119 AromaticContact CG-CE1 3.75Å; H81-F119 AromaticContact CG-CZ 3.74Å; H81-F119 AromaticContact ND1-CE1 3.67Å; H81-F119 AromaticContact NE2-CE1 3.84Å; W115-F119 HydrophobicContact CB-CD2 4.05Å; W115-F119 HydrophobicContact CB-CE2 3.68Å; W115-F119 HydrophobicContact CB-CZ 4.02Å; W115-F119 HydrophobicContact CG-CE2 4.3Å; W115-F119 HydrophobicContact CG-CZ 4.3Å; W115-F119 WeakPolarHBondContact O-CB 3.5Å; W115-F119 VanDerWaalsContact O-CD2 3.24Å; W115-F119 WeakPolarHBondContact O-CD2 3.47Å; W115-F119 WeakPolarHBondContact O-CG 3.35Å; W115-F119 PolarHBondContact O-N 3.48Å; E117-F119 PolarHBondContact O-N 2.94Å; F119-N121 PolarHBondContact O-N 2.68Å; F119-N121 VanDerWaalsContact O-N 3.08Å; F119-D122 PolarHBondContact O-N 2.81Å; F119-L125 HydrophobicContact CB-CB 3.67Å; F119-L125 HydrophobicContact CB-CD1 4.15Å; F119-L125 HydrophobicContact CD1-CD1 3.78Å; F119-L125 HydrophobicContact CD2-CB 4.04Å; F119-L125 HydrophobicContact CD2-CD1 4.33Å; F119-L125 HydrophobicContact CE1-CD1 4.3Å; F119-L125 HydrophobicContact CG-CB 3.9Å; F119-L125 HydrophobicContact CG-CD1 3.82Å; F119-L125 HydrophobicContact CG-CG 4.5Å; F119-I128 HydrophobicContact CD2-CG1 4.35Å; F119-I128 HydrophobicContact CE2-CG1 4.42Å
120R88.8Confident91.3Very high170 Ų17048.9 Ų48.964%0.64226%0.264SS*.THydrogen-bonded Turntrans-61.3-24-172.376.6-169.1-174.6-178.11.3114.5E117E117-R120 WeakPolarHBondContact O-CB 3.38Å; E117-R120 VanDerWaalsContact O-CD 3.29Å; E117-R120 WeakPolarHBondContact O-CD 3.39Å; E117-R120 WeakPolarHBondContact O-CG 3.11Å; E117-R120 PolarHBondContact O-N 3.03Å; E117-R120 IonicContact OE2-NH1 2.8Å; E117-R120 PolarHBondContact OE2-NH1 3.29Å
121N89.1Confident91.2Very high138 Ų13849.7 Ų49.774%0.73827%0.268SS*.THydrogen-bonded Turntrans-86-13.3-179.1-62.7-22000113.1F119F119-N121 PolarHBondContact O-N 2.68Å; F119-N121 VanDerWaalsContact O-N 3.08Å
122D89.6Confident91.2Very high38 Ų3850.2 Ų50.220%0.20327%0.27CS..  trans-110.7109.2179.8-169.4-26.2000111K78 F119 Q124 L125K78-D122 WeakPolarHBondContact CE-OD2 3.49Å; K78-D122 IonicContact NZ-OD1 2.66Å; K78-D122 IonicContact NZ-OD2 3.22Å; K78-D122 PolarHBondContact NZ-OD2 2.98Å; F119-D122 PolarHBondContact O-N 2.81Å; D122-Q124 PolarHBondContact O-N 3.09Å; D122-Q124 VanDerWaalsContact O-N 3.16Å; D122-Q124 VanDerWaalsContact OD1-CB 3.29Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.26Å; D122-Q124 PolarHBondContact OD1-N 3.35Å; D122-L125 HydrophobicContact CB-CB 4.34Å; D122-L125 HydrophobicContact CB-CD1 4.05Å; D122-L125 HydrophobicContact CB-CG 4.07Å; D122-L125 PolarHBondContact O-N 3.01Å
123P89.1Confident91.2Very high106 Ų10657 Ų5769%0.68830%0.3SS*.G310 helixtrans-58-28.9178.5-24.934.2000114.2L125 S126P123-L125 PolarHBondContact O-N 3.07Å; P123-S126 VanDerWaalsContact O-CB 3.29Å; P123-S126 WeakPolarHBondContact O-CB 3.25Å; P123-S126 PolarHBondContact O-N 3.43Å; P123-S126 PolarHBondContact O-OG 2.85Å
124Q86.2Confident91.2Very high128 Ų12860.4 Ų60.460%0.59832%0.318SS*.G310 helixtrans-69-21.6179.3-56.5-171.9-81.500112.2D122D122-Q124 PolarHBondContact O-N 3.09Å; D122-Q124 VanDerWaalsContact O-N 3.16Å; D122-Q124 VanDerWaalsContact OD1-CB 3.29Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.26Å; D122-Q124 PolarHBondContact OD1-N 3.35Å
125L91.7Very high91.2Very high5 Ų559.6 Ų59.63%0.02631%0.314CS..G310 helixtrans-100.56.6-179.4-55.7-177.8000112.9H81 L82 C85 F119 D122 P123 L127H81-L125 HydrophobicContact CB-CD1 3.87Å; H81-L125 HydrophobicContact CB-CD2 3.76Å; H81-L125 HydrophobicContact CB-CG 4.5Å; L82-L125 HydrophobicContact CD2-CD2 4.13Å; C85-L125 HydrophobicContact CB-CD2 4.18Å; C85-L125 PolarHBondContact SG-O 3.43Å; F119-L125 HydrophobicContact CB-CB 3.67Å; F119-L125 HydrophobicContact CB-CD1 4.15Å; F119-L125 HydrophobicContact CD1-CD1 3.78Å; F119-L125 HydrophobicContact CD2-CB 4.04Å; F119-L125 HydrophobicContact CD2-CD1 4.33Å; F119-L125 HydrophobicContact CE1-CD1 4.3Å; F119-L125 HydrophobicContact CG-CB 3.9Å; F119-L125 HydrophobicContact CG-CD1 3.82Å; F119-L125 HydrophobicContact CG-CG 4.5Å; D122-L125 HydrophobicContact CB-CB 4.34Å; D122-L125 HydrophobicContact CB-CD1 4.05Å; D122-L125 HydrophobicContact CB-CG 4.07Å; D122-L125 PolarHBondContact O-N 3.01Å; P123-L125 PolarHBondContact O-N 3.07Å; L125-L127 PolarHBondContact O-N 3.49Å
126S92.7Very high91.2Very high66 Ų6665.9 Ų65.946%0.46234%0.338SS..THydrogen-bonded Turntrans-62.4-11.2179.861.90000115P123 I128 S129 A130P123-S126 VanDerWaalsContact O-CB 3.29Å; P123-S126 WeakPolarHBondContact O-CB 3.25Å; P123-S126 PolarHBondContact O-N 3.43Å; P123-S126 PolarHBondContact O-OG 2.85Å; S126-I128 VanDerWaalsContact C-N 3.32Å; S126-I128 PolarHBondContact O-N 3.24Å; S126-S129 PolarHBondContact O-N 3.3Å; S126-A130 PolarHBondContact O-N 3.15Å
127L92.9Very high91.2Very high60 Ų6072.8 Ų72.831%0.31437%0.368SS..Hα-helixtrans-60.9-39.2-179-170.867.4000112C85 L125 S129 A130 M131C85-L127 HydrophobicContact CB-CB 4.23Å; C85-L127 VanDerWaalsContact O-CD2 3.26Å; C85-L127 WeakPolarHBondContact O-CD2 3.38Å; L125-L127 PolarHBondContact O-N 3.49Å; L127-S129 PolarHBondContact O-N 3.34Å; L127-A130 WeakPolarHBondContact O-CB 3.28Å; L127-A130 PolarHBondContact O-N 3.13Å; L127-M131 HydrophobicContact CB-CE 4.39Å; L127-M131 HydrophobicContact CD1-CE 4.48Å; L127-M131 HydrophobicContact CD2-CE 3.39Å; L127-M131 HydrophobicContact CG-CE 3.45Å; L127-M131 VanDerWaalsContact CG-CE 3.45Å; L127-M131 HydrophobicContact CG-CG 4.49Å; L127-M131 VanDerWaalsContact O-CG 3.3Å; L127-M131 WeakPolarHBondContact O-CG 3.32Å; L127-M131 PolarHBondContact O-N 2.98Å
128I93.3Very high91.2Very high0 Ų075 Ų750%038%0.378CS..Hα-helixtrans-63.5-45.1179.4-64.5-66.6000110.9V84 F89 W115 A116 F119 S126 A130 M131 I132V84-I128 HydrophobicContact CG1-CD1 3.8Å; V84-I128 HydrophobicContact CG1-CG1 4.34Å; F89-I128 HydrophobicContact CD1-CD1 4.14Å; F89-I128 HydrophobicContact CE1-CD1 3.98Å; W115-I128 HydrophobicContact CB-CG2 4.44Å; A116-I128 HydrophobicContact CB-CG2 4.27Å; F119-I128 HydrophobicContact CD2-CG1 4.35Å; F119-I128 HydrophobicContact CE2-CG1 4.42Å; S126-I128 VanDerWaalsContact C-N 3.32Å; S126-I128 PolarHBondContact O-N 3.24Å; I128-A130 VanDerWaalsContact C-N 3.28Å; I128-A130 PolarHBondContact O-N 3.23Å; I128-M131 HydrophobicContact CD1-CE 4.03Å; I128-M131 HydrophobicContact CD1-SD 4.17Å; I128-M131 WeakPolarHBondContact O-CB 3.41Å; I128-M131 PolarHBondContact O-N 3.45Å; I128-M131 VanDerWaalsContact O-N 3.14Å; I128-I132 HydrophobicContact CG2-CD1 4.3Å; I128-I132 WeakPolarHBondContact O-CG1 3.47Å; I128-I132 PolarHBondContact O-N 3.28Å
129S92.8Very high91.2Very high35 Ų3573.3 Ų73.325%0.24538%0.383CS..Hα-helixtrans-61.7-36.6175.3-53.90000112.1S126 L127 K133S126-S129 PolarHBondContact O-N 3.3Å; L127-S129 PolarHBondContact O-N 3.34Å; S129-K133 WeakPolarHBondContact O-CG 3.26Å; S129-K133 PolarHBondContact O-N 3.39Å
130A92.9Very high91.1Very high53 Ų5374.4 Ų74.444%0.43839%0.391SS..Hα-helixtrans-67.5-41.2173.300000112.5S126 L127 I128 K133 N134S126-A130 PolarHBondContact O-N 3.15Å; L127-A130 WeakPolarHBondContact O-CB 3.28Å; L127-A130 PolarHBondContact O-N 3.13Å; I128-A130 VanDerWaalsContact C-N 3.28Å; I128-A130 PolarHBondContact O-N 3.23Å; A130-K133 PolarHBondContact O-N 3.41Å; A130-N134 PolarHBondContact O-N 3.04Å
131M91.2Very high91.2Very high18 Ų1871.8 Ų71.89%0.08939%0.394CS..Hα-helixtrans-60.5-45.4175.6-69-176.3-148.500111.5S86 F89 A90 M112 L127 I128 K133 N134 L135S86-M131 WeakPolarHBondContact O-CE 3.46Å; F89-M131 HydrophobicContact CD1-CE 4.48Å; A90-M131 HydrophobicContact CB-CE 3.48Å; A90-M131 VanDerWaalsContact CB-CE 3.48Å; A90-M131 HydrophobicContact CB-CG 4.18Å; A90-M131 HydrophobicContact CB-SD 3.48Å; A90-M131 WeakPolarHBondContact CB-SD 3.44Å; M112-M131 HydrophobicContact CE-CB 4.05Å; L127-M131 HydrophobicContact CB-CE 4.39Å; L127-M131 HydrophobicContact CD1-CE 4.48Å; L127-M131 HydrophobicContact CD2-CE 3.39Å; L127-M131 HydrophobicContact CG-CE 3.45Å; L127-M131 VanDerWaalsContact CG-CE 3.45Å; L127-M131 HydrophobicContact CG-CG 4.49Å; L127-M131 VanDerWaalsContact O-CG 3.3Å; L127-M131 WeakPolarHBondContact O-CG 3.32Å; L127-M131 PolarHBondContact O-N 2.98Å; I128-M131 HydrophobicContact CD1-CE 4.03Å; I128-M131 HydrophobicContact CD1-SD 4.17Å; I128-M131 WeakPolarHBondContact O-CB 3.41Å; I128-M131 PolarHBondContact O-N 3.45Å; I128-M131 VanDerWaalsContact O-N 3.14Å; M131-K133 VanDerWaalsContact C-N 3.34Å; M131-K133 PolarHBondContact O-N 2.97Å; M131-N134 PolarHBondContact O-N 2.93Å; M131-L135 WeakPolarHBondContact O-CB 3.32Å; M131-L135 WeakPolarHBondContact O-CG 3.41Å; M131-L135 PolarHBondContact O-N 2.98Å
132I92.9Very high91.2Very high12 Ų1266 Ų666%0.06236%0.362CS..Hα-helixtrans-60.5-44.9178-66.1172.3000110.8M112 V113 A116 I128 N134 L135 R136 F142M112-I132 HydrophobicContact CB-CD1 4.04Å; M112-I132 HydrophobicContact CB-CG1 4.2Å; M112-I132 HydrophobicContact CE-CG1 3.99Å; M112-I132 VanDerWaalsContact O-CD1 3.31Å; M112-I132 WeakPolarHBondContact O-CD1 3Å; V113-I132 HydrophobicContact CG2-CD1 4.42Å; A116-I132 HydrophobicContact CB-CD1 3.56Å; I128-I132 HydrophobicContact CG2-CD1 4.3Å; I128-I132 WeakPolarHBondContact O-CG1 3.47Å; I128-I132 PolarHBondContact O-N 3.28Å; I132-N134 PolarHBondContact O-N 3.42Å; I132-L135 PolarHBondContact O-N 2.86Å; I132-R136 HydrophobicContact CG2-CG 4.45Å; I132-R136 WeakPolarHBondContact O-CB 3.3Å; I132-R136 VanDerWaalsContact O-CG 3.29Å; I132-R136 WeakPolarHBondContact O-CG 3.34Å; I132-R136 PolarHBondContact O-N 3.28Å; I132-F142 HydrophobicContact CB-CE1 4.47Å; I132-F142 HydrophobicContact CB-CZ 4.3Å; I132-F142 HydrophobicContact CG1-CE1 3.97Å; I132-F142 HydrophobicContact CG1-CZ 4.2Å; I132-F142 HydrophobicContact CG2-CD1 4.17Å; I132-F142 HydrophobicContact CG2-CD2 4.01Å; I132-F142 HydrophobicContact CG2-CE1 4.16Å; I132-F142 HydrophobicContact CG2-CE2 4Å; I132-F142 HydrophobicContact CG2-CG 4.08Å; I132-F142 HydrophobicContact CG2-CZ 4.07Å
133K93.1Very high91.1Very high143 Ų14365.6 Ų65.662%0.62236%0.362SS*.Hα-helixtrans-59-47.5176.3-73.7175.8-177.7178.50111.3S129 A130 M131 L135 R136 E137S129-K133 WeakPolarHBondContact O-CG 3.26Å; S129-K133 PolarHBondContact O-N 3.39Å; A130-K133 PolarHBondContact O-N 3.41Å; M131-K133 VanDerWaalsContact C-N 3.34Å; M131-K133 PolarHBondContact O-N 2.97Å; K133-L135 PolarHBondContact O-N 3.45Å; K133-R136 WeakPolarHBondContact O-CB 3.27Å; K133-R136 PolarHBondContact O-N 2.96Å; K133-E137 WeakPolarHBondContact O-CG 3.42Å; K133-E137 PolarHBondContact O-N 3.4Å
134N93.3Very high90.7Very high79 Ų7963.7 Ų63.742%0.42236%0.355SS..Hα-helixtrans-64.4-40179.6-172.7-107.4000112.8A130 M131 I132 R136 E137 Q138A130-N134 PolarHBondContact O-N 3.04Å; M131-N134 PolarHBondContact O-N 2.93Å; I132-N134 PolarHBondContact O-N 3.42Å; N134-R136 VanDerWaalsContact C-N 3.34Å; N134-E137 WeakPolarHBondContact O-CB 3.5Å; N134-E137 PolarHBondContact O-N 3.25Å; N134-Q138 WeakPolarHBondContact O-CG 3.44Å; N134-Q138 PolarHBondContact O-N 3.43Å; N134-Q138 VanDerWaalsContact O-N 3.16Å; N134-Q138 PolarHBondContact OD1-NE2 3.28Å
135L91.8Very high90.1Very high7 Ų761.9 Ų61.94%0.03735%0.352CS..Hα-helixtrans-67-35.4175.8-73.4164.4000111.7V93 L97 M112 M131 I132 K133 Q138 G139 V140 F142V93-L135 HydrophobicContact CG1-CD1 4.25Å; L97-L135 HydrophobicContact CD1-CD1 3.88Å; L97-L135 HydrophobicContact CD1-CD2 4.21Å; M112-L135 HydrophobicContact CE-CD1 4.12Å; M131-L135 WeakPolarHBondContact O-CB 3.32Å; M131-L135 WeakPolarHBondContact O-CG 3.41Å; M131-L135 PolarHBondContact O-N 2.98Å; I132-L135 PolarHBondContact O-N 2.86Å; K133-L135 PolarHBondContact O-N 3.45Å; L135-Q138 PolarHBondContact O-N 2.8Å; L135-G139 PolarHBondContact O-N 3.44Å; L135-V140 HydrophobicContact CB-CB 4.11Å; L135-V140 HydrophobicContact CB-CG2 4.24Å; L135-V140 HydrophobicContact CD2-CG2 4.2Å; L135-V140 WeakPolarHBondContact O-CB 3.43Å; L135-V140 WeakPolarHBondContact O-CG2 3.35Å; L135-V140 PolarHBondContact O-N 3.19Å; L135-F142 HydrophobicContact CB-CE2 3.69Å; L135-F142 HydrophobicContact CB-CZ 3.75Å; L135-F142 HydrophobicContact CD1-CZ 3.86Å; L135-F142 HydrophobicContact CG-CZ 4.47Å
136R92.4Very high88.8Confident134 Ų13463.8 Ų63.851%0.50637%0.373SS..Hα-helixtrans-63.1-41.2173-75.6176179.7-138.91.7112.1I132 K133 N134 Q138 G139 F142I132-R136 HydrophobicContact CG2-CG 4.45Å; I132-R136 WeakPolarHBondContact O-CB 3.3Å; I132-R136 VanDerWaalsContact O-CG 3.29Å; I132-R136 WeakPolarHBondContact O-CG 3.34Å; I132-R136 PolarHBondContact O-N 3.28Å; K133-R136 WeakPolarHBondContact O-CB 3.27Å; K133-R136 PolarHBondContact O-N 2.96Å; N134-R136 VanDerWaalsContact C-N 3.34Å; R136-Q138 PolarHBondContact O-N 3Å; R136-G139 PolarHBondContact O-N 2.97Å; R136-F142 HydrophobicContact CG-CD2 3.58Å; R136-F142 HydrophobicContact CG-CE2 3.91Å
137E93.1Very high87.7Confident158 Ų15862.5 Ų62.574%0.73836%0.364SS*.Hα-helixtrans-62.5-31.5174.7-69.8169.6173.500112.2K133 N134 G139K133-E137 WeakPolarHBondContact O-CG 3.42Å; K133-E137 PolarHBondContact O-N 3.4Å; N134-E137 WeakPolarHBondContact O-CB 3.5Å; N134-E137 PolarHBondContact O-N 3.25Å; E137-G139 PolarHBondContact O-N 3.23Å
138Q89.3Confident86.3Confident119 Ų11967 Ų6756%0.55638%0.384SS*.THydrogen-bonded Turntrans-77.90.9173.3-64.3176.127.700113.6N134 L135 R136N134-Q138 WeakPolarHBondContact O-CG 3.44Å; N134-Q138 PolarHBondContact O-N 3.43Å; N134-Q138 VanDerWaalsContact O-N 3.16Å; N134-Q138 PolarHBondContact OD1-NE2 3.28Å; L135-Q138 PolarHBondContact O-N 2.8Å; R136-Q138 PolarHBondContact O-N 3Å
139G87.3Confident84.7Confident60 Ų6068.4 Ų68.462%0.61940%0.395SS*.THydrogen-bonded Turntrans91.77.7178.600000115L135 R136 E137 T141L135-G139 PolarHBondContact O-N 3.44Å; R136-G139 PolarHBondContact O-N 2.97Å; E137-G139 PolarHBondContact O-N 3.23Å; G139-T141 PolarHBondContact O-N 3Å
140V89.9Confident83.1Confident33 Ų3367 Ų6720%0.239%0.386CS..  trans-75.9118.5176.4-175.80000109.9L97 K109 L135 F142L97-V140 HydrophobicContact CD1-CG1 4.46Å; K109-V140 HydrophobicContact CD-CG1 4.36Å; L135-V140 HydrophobicContact CB-CB 4.11Å; L135-V140 HydrophobicContact CB-CG2 4.24Å; L135-V140 HydrophobicContact CD2-CG2 4.2Å; L135-V140 WeakPolarHBondContact O-CB 3.43Å; L135-V140 WeakPolarHBondContact O-CG2 3.35Å; L135-V140 PolarHBondContact O-N 3.19Å; V140-F142 HydrophobicContact CB-CE2 4.14Å; V140-F142 HydrophobicContact CG1-CD2 4.4Å; V140-F142 HydrophobicContact CG1-CE2 3.9Å; V140-F142 HydrophobicContact CG1-CZ 4.28Å; V140-F142 WeakPolarHBondContact O-CD2 3.42Å
141T90.4Very high81.7Confident115 Ų11569.2 Ų69.271%0.70639%0.387SS*.  trans-80.5135.5173.9-52.40000110.7K109 G139K109-T141 WeakPolarHBondContact CD-O 3.49Å; K109-T141 PolarHBondContact NZ-O 3.3Å; G139-T141 PolarHBondContact O-N 3Å
142F89.9Confident80.3Confident17 Ų1775.2 Ų75.28%0.07542%0.415CS..  trans-114.3148.6175.8-73.9-95.4000110.3K109 M112 V113 I132 L135 R136 V140K109-F142 HydrophobicContact CB-CD1 3.85Å; K109-F142 HydrophobicContact CB-CE1 4.13Å; K109-F142 HydrophobicContact CG-CD1 4.03Å; K109-F142 HydrophobicContact CG-CE1 3.96Å; M112-F142 HydrophobicContact CB-CE1 4.48Å; M112-F142 HydrophobicContact SD-CE1 4.24Å; V113-F142 HydrophobicContact CG2-CB 3.95Å; V113-F142 HydrophobicContact CG2-CD1 3.79Å; V113-F142 HydrophobicContact CG2-CG 4.28Å; I132-F142 HydrophobicContact CB-CE1 4.47Å; I132-F142 HydrophobicContact CB-CZ 4.3Å; I132-F142 HydrophobicContact CG1-CE1 3.97Å; I132-F142 HydrophobicContact CG1-CZ 4.2Å; I132-F142 HydrophobicContact CG2-CD1 4.17Å; I132-F142 HydrophobicContact CG2-CD2 4.01Å; I132-F142 HydrophobicContact CG2-CE1 4.16Å; I132-F142 HydrophobicContact CG2-CE2 4Å; I132-F142 HydrophobicContact CG2-CG 4.08Å; I132-F142 HydrophobicContact CG2-CZ 4.07Å; L135-F142 HydrophobicContact CB-CE2 3.69Å; L135-F142 HydrophobicContact CB-CZ 3.75Å; L135-F142 HydrophobicContact CD1-CZ 3.86Å; L135-F142 HydrophobicContact CG-CZ 4.47Å; R136-F142 HydrophobicContact CG-CD2 3.58Å; R136-F142 HydrophobicContact CG-CE2 3.91Å; V140-F142 HydrophobicContact CB-CE2 4.14Å; V140-F142 HydrophobicContact CG1-CD2 4.4Å; V140-F142 HydrophobicContact CG1-CE2 3.9Å; V140-F142 HydrophobicContact CG1-CZ 4.28Å; V140-F142 WeakPolarHBondContact O-CD2 3.42Å
143P87.6Confident78.8Confident30 Ų3074.6 Ų74.620%0.19541%0.412CS..PPolyproline II helixtrans-63.8157173.628.3-33.8000111.2A110 V113A110-P143 HydrophobicContact CB-CG 4.18Å; V113-P143 HydrophobicContact CG2-CG 4.34Å
144A80.4Confident77.5Confident65 Ų6573.6 Ų73.654%0.53741%0.407SS..PPolyproline II helixtrans-71.7146.7172.800000110.2G146 S147A144-G146 PolarHBondContact O-N 2.78Å; A144-S147 WeakPolarHBondContact CA-OG 3.31Å; A144-S147 WeakPolarHBondContact CB-OG 3.33Å; A144-S147 PolarHBondContact N-OG 2.9Å; A144-S147 WeakPolarHBondContact O-CB 3.2Å; A144-S147 PolarHBondContact O-N 3.47Å; A144-S147 VanDerWaalsContact O-N 3.09Å; A144-S147 PolarHBondContact O-OG 3.39Å
145V72.6Confident75.7Confident91 Ų9170 Ų7055%0.55239%0.388SS*.THydrogen-bonded Turntrans-56.2129.1174177.90000109V113 E117V113-V145 HydrophobicContact CG1-CB 4.41Å; V113-V145 HydrophobicContact CG1-CG2 3.65Å; E117-V145 HydrophobicContact CG-CG1 3.74Å; E117-V145 HydrophobicContact CG-CG2 3.94Å
146G65.3Low73.8Confident45 Ų4572.4 Ų72.446%0.46441%0.406SS..THydrogen-bonded Turntrans75.216.5-177.700000115.6A144A144-G146 PolarHBondContact O-N 2.78Å
147S70.6Confident71.7Confident39 Ų3969.8 Ų69.827%0.27341%0.406SS..  trans-70.7156.1170-56.70000111A144 A149 A150 E151A144-S147 WeakPolarHBondContact CA-OG 3.31Å; A144-S147 WeakPolarHBondContact CB-OG 3.33Å; A144-S147 PolarHBondContact N-OG 2.9Å; A144-S147 WeakPolarHBondContact O-CB 3.2Å; A144-S147 PolarHBondContact O-N 3.47Å; A144-S147 VanDerWaalsContact O-N 3.09Å; A144-S147 PolarHBondContact O-OG 3.39Å; S147-A149 PolarHBondContact O-N 3.44Å; S147-A150 WeakPolarHBondContact O-CA 3.42Å; S147-A150 WeakPolarHBondContact O-CB 3.34Å; S147-A150 PolarHBondContact O-N 3.31Å; S147-E151 PolarHBondContact O-N 2.91Å
148Q62Low69.3Low155 Ų15566.4 Ų66.472%0.72441%0.405SS*.Hα-helixtrans-51.9-32.4173.9-67.9-172.2-5.100113.6E151 Q152Q148-E151 PolarHBondContact O-N 3.29Å; Q148-Q152 WeakPolarHBondContact O-CB 3.49Å; Q148-Q152 VanDerWaalsContact O-CG 3.28Å; Q148-Q152 WeakPolarHBondContact O-CG 3.15Å; Q148-Q152 PolarHBondContact O-N 2.87Å
149A60.8Low66.9Low29 Ų2967.9 Ų67.924%0.2442%0.416CS..Hα-helixtrans-69.5-31.1174.800000113.7A110 S147 A153A110-A149 WeakPolarHBondContact CB-O 3.49Å; S147-A149 PolarHBondContact O-N 3.44Å; A149-A153 WeakPolarHBondContact O-CB 3.37Å; A149-A153 PolarHBondContact O-N 2.94Å
150A59.3Low64.4Low6 Ų670.8 Ų70.85%0.0542%0.422CS..Hα-helixtrans-78.4-37.317300000111.1S147 A153S147-A150 WeakPolarHBondContact O-CA 3.42Å; S147-A150 WeakPolarHBondContact O-CB 3.34Å; S147-A150 PolarHBondContact O-N 3.31Å; A150-A153 VanDerWaalsContact O-CB 3.26Å; A150-A153 WeakPolarHBondContact O-CB 3.48Å; A150-A153 PolarHBondContact O-N 3.06Å
151E63.4Low62Low98 Ų9874.6 Ų74.646%0.45846%0.456SS..Hα-helixtrans-67.4-39.2175.5-132.1119.213300112.2S147 Q148 A153 K154S147-E151 PolarHBondContact O-N 2.91Å; Q148-E151 PolarHBondContact O-N 3.29Å; E151-A153 PolarHBondContact O-N 3.38Å; E151-K154 WeakPolarHBondContact O-CG 3.48Å; E151-K154 PolarHBondContact O-N 2.99Å
152Q61.8Low59.6Low144 Ų14477.3 Ų77.367%0.67346%0.459SS*.THydrogen-bonded Turntrans-72.9-12.1170.8-72.3177.212.600112.9K107 Q148K107-Q152 PolarHBondContact NZ-O 3.44Å; Q148-Q152 WeakPolarHBondContact O-CB 3.49Å; Q148-Q152 VanDerWaalsContact O-CG 3.28Å; Q148-Q152 WeakPolarHBondContact O-CG 3.15Å; Q148-Q152 PolarHBondContact O-N 2.87Å
153A61.5Low56.9Low0 Ų082.3 Ų82.30%049%0.486CS..THydrogen-bonded Turntrans-75-30.4175.800000112.1K107 A110 L111 A149 A150 E151 A155K107-A153 HydrophobicContact CD-CB 4.27Å; K107-A153 WeakPolarHBondContact CE-O 3.29Å; K107-A153 VanDerWaalsContact NZ-CA 3.28Å; K107-A153 PolarHBondContact NZ-O 2.93Å; A110-A153 HydrophobicContact CB-CB 3.66Å; L111-A153 HydrophobicContact CD2-CB 4.16Å; L111-A153 HydrophobicContact CG-CB 4.32Å; A149-A153 WeakPolarHBondContact O-CB 3.37Å; A149-A153 PolarHBondContact O-N 2.94Å; A150-A153 VanDerWaalsContact O-CB 3.26Å; A150-A153 WeakPolarHBondContact O-CB 3.48Å; A150-A153 PolarHBondContact O-N 3.06Å; E151-A153 PolarHBondContact O-N 3.38Å; A153-A155 PolarHBondContact O-N 3.47Å
154K65.3Low54.5Low121 Ų12186.2 Ų86.253%0.52651%0.512SS..  trans-56.2115.7-177.9-54.9-149.4174.6-1630111.2E114 E151 S156E114-K154 VanDerWaalsContact OE1-CD 3.26Å; E114-K154 WeakPolarHBondContact OE1-CD 3.38Å; E114-K154 WeakPolarHBondContact OE1-CE 3.34Å; E114-K154 VanDerWaalsContact OE1-CG 3.25Å; E114-K154 WeakPolarHBondContact OE1-CG 3.29Å; E114-K154 IonicContact OE1-NZ 2.74Å; E151-K154 WeakPolarHBondContact O-CG 3.48Å; E151-K154 PolarHBondContact O-N 2.99Å; K154-S156 PolarHBondContact O-N 2.94Å
155A56.1Low52.5Low3 Ų386.3 Ų86.33%0.02551%0.508CS..  trans-98.447.1-174.100000111.8W26 T67 A71 A153W26-A155 HydrophobicContact CH2-CB 3.99Å; W26-A155 WeakPolarHBondContact CH2-O 3.43Å; W26-A155 WeakPolarHBondContact CZ3-O 3.41Å; T67-A155 HydrophobicContact CG2-CB 4.02Å; T67-A155 WeakPolarHBondContact O-CB 3.4Å; A71-A155 HydrophobicContact CB-CB 4.37Å; A153-A155 PolarHBondContact O-N 3.47Å
156S51.3Low51.2Low59 Ų5987 Ų8741%0.41351%0.513SS..  trans-137.6113.2176.2-660000111.7K154 A158K154-S156 PolarHBondContact O-N 2.94Å; S156-A158 PolarHBondContact O-N 3.05Å
157P47.1Very low50.2Low78 Ų7889.9 Ų89.951%0.50652%0.522SS..SBendtrans-77.6102.8152.329.7-23.8000107.5W26W26-P157 HydrophobicContact CB-CG 4.4Å; W26-P157 VanDerWaalsContact CD2-CD 3.5Å; W26-P157 HydrophobicContact CD2-CG 3.45Å; W26-P157 VanDerWaalsContact CD2-CG 3.45Å; W26-P157 VanDerWaalsContact CE3-CD 3.44Å; W26-P157 HydrophobicContact CE3-CG 3.86Å; W26-P157 HydrophobicContact CG-CG 3.69Å; W26-P157 HydrophobicContact CZ2-CG 4.29Å; W26-P157 HydrophobicContact CZ3-CG 4.43Å
158A43.8Very low49Very low87 Ų8791.9 Ų91.972%0.71953%0.532SS*.SBendtrans49.284.9158.500000117.8S156S156-A158 PolarHBondContact O-N 3.05Å
159L37.8Very low48.4Very low150 Ų15088.9 Ų88.979%0.78552%0.521SS*.  trans-146.865139.1-76.1-172.1000109.6
160V35.5Very low48.1Very low122 Ų12293.5 Ų93.574%0.73954%0.536SS*.  trans-135.490.9148.1-177.60000105.4K162V160-K162 HydrophobicContact CG1-CB 3.65Å; V160-K162 PolarHBondContact O-N 3.27Å
161A39.1Very low48.3Very low112 Ų112100.4 Ų100.493%0.92657%0.565SS**  trans-64.585.3154.800000106.9
162K40.1Very low48Very low173 Ų173101.6 Ų101.675%0.75257%0.57SS**SBendtrans-147.191.4160.6-152.7158-173.9167.60106.3V160V160-K162 HydrophobicContact CG1-CB 3.65Å; V160-K162 PolarHBondContact O-N 3.27Å
163D32.8Very low48.2Very low121 Ų121101.4 Ų101.465%0.64757%0.569SS**  trans45.1114.5176.4-75.6-66.7000118.8S165D163-S165 PolarHBondContact O-N 3.46Å
164P37.9Very low48.6Very low113 Ų113107.6 Ų107.673%0.73460%0.598SS**THydrogen-bonded Turntrans-71.38.8175.131.2-33.2000114.1T168P164-T168 PolarHBondContact O-OG1 3.45Å
165S38.6Very low49.1Very low66 Ų66107 Ų10746%0.46260%0.6SS.*THydrogen-bonded Turntrans-93.9-3-168.1-57.10000115.2D163 N169D163-S165 PolarHBondContact O-N 3.46Å; S165-N169 PolarHBondContact O-ND2 2.99Å
166T45.2Very low50Low106 Ų106112.3 Ų112.365%0.6563%0.628SS**THydrogen-bonded Turntrans-103.6-28.1-176.826.90000114.9K170T166-K170 PolarHBondContact O-N 3.36Å
167T44.1Very low51.3Low106 Ų106112.2 Ų112.265%0.6563%0.631SS**Hα-helixtrans-85.2-31-177.9-51.20000113.2
168T46.2Very low52.9Low80 Ų80115 Ų11549%0.49164%0.635SS.*Hα-helixtrans-69.5-45.2171.935.20000111.4P164 K170 K171 E172P164-T168 PolarHBondContact O-OG1 3.45Å; T168-K170 PolarHBondContact O-N 3.08Å; T168-K171 PolarHBondContact O-N 3.39Å; T168-E172 WeakPolarHBondContact O-CB 3.45Å; T168-E172 WeakPolarHBondContact O-CG 3.46Å; T168-E172 PolarHBondContact O-N 3.24Å
169N48.6Very low54.3Low92 Ų92113.5 Ų113.549%0.49262%0.623SS.*Hα-helixtrans-60.3-39.3179.1-89.9-59.9000113.2S165 K171 E172 E173S165-N169 PolarHBondContact O-ND2 2.99Å; N169-K171 PolarHBondContact O-N 3.38Å; N169-E172 PolarHBondContact O-N 3.3Å; N169-E173 VanDerWaalsContact O-CB 3.23Å; N169-E173 WeakPolarHBondContact O-CB 3.38Å; N169-E173 PolarHBondContact O-N 2.88Å
170K55.5Low56.2Low127 Ų127110.8 Ų110.855%0.55261%0.608SS**Hα-helixtrans-69.6-35.1-178.3-165.1172.3-178-179.60113.1T166 T168 E174T166-K170 PolarHBondContact O-N 3.36Å; T168-K170 PolarHBondContact O-N 3.08Å; K170-E174 WeakPolarHBondContact O-CG 3.49Å; K170-E174 PolarHBondContact O-N 3.08Å; K170-E174 VanDerWaalsContact O-N 3.08Å
171K61.6Low58Low151 Ų151110.2 Ų110.266%0.65760%0.597SS**Hα-helixtrans-74.5-37.6176.2-174.7166.6-179.5169.80111.8T168 N169 D175T168-K171 PolarHBondContact O-N 3.39Å; N169-K171 PolarHBondContact O-N 3.38Å; K171-D175 PolarHBondContact O-N 3.06Å
172E58.4Low59.7Low122 Ų122110.5 Ų110.557%0.5758%0.583SS**Hα-helixtrans-66.5-39.3173.5-72.7176.4160.600111.5T168 N169 D175 L176T168-E172 WeakPolarHBondContact O-CB 3.45Å; T168-E172 WeakPolarHBondContact O-CG 3.46Å; T168-E172 PolarHBondContact O-N 3.24Å; N169-E172 PolarHBondContact O-N 3.3Å; E172-D175 PolarHBondContact O-N 3.2Å; E172-L176 VanDerWaalsContact O-CB 3.31Å; E172-L176 WeakPolarHBondContact O-CB 3.39Å; E172-L176 PolarHBondContact O-N 3.26Å
173E64.9Low61.1Low140 Ų140106 Ų10665%0.65457%0.573SS**Hα-helixtrans-65.9-39.7175.8-166.2-175.9140.500112N169 L176 A177N169-E173 VanDerWaalsContact O-CB 3.23Å; N169-E173 WeakPolarHBondContact O-CB 3.38Å; N169-E173 PolarHBondContact O-N 2.88Å; E173-L176 PolarHBondContact O-N 3.42Å; E173-A177 WeakPolarHBondContact O-CB 3.32Å; E173-A177 PolarHBondContact O-N 3.36Å
174E71Confident62.9Low131 Ų131105.8 Ų105.861%0.61257%0.571SS**Hα-helixtrans-65.6-40.3173.8-80.5-170.8140.500112.6K170 K178K170-E174 WeakPolarHBondContact O-CG 3.49Å; K170-E174 PolarHBondContact O-N 3.08Å; K170-E174 VanDerWaalsContact O-N 3.08Å; E174-K178 VanDerWaalsContact O-CB 3.32Å; E174-K178 WeakPolarHBondContact O-CB 3.4Å; E174-K178 PolarHBondContact O-N 3.38Å
175D75.6Confident64.2Low107 Ų107106.5 Ų106.557%0.57256%0.563SS**Hα-helixtrans-68.4-36.8175.7-118.1-23.5000111.5K171 E172 K178 A179K171-D175 PolarHBondContact O-N 3.06Å; E172-D175 PolarHBondContact O-N 3.2Å; D175-K178 PolarHBondContact O-N 3.26Å; D175-A179 WeakPolarHBondContact O-CB 3.48Å; D175-A179 PolarHBondContact O-N 3.31Å
176L74Confident65.5Low115 Ų115110.3 Ų110.360%0.60257%0.573SS**Hα-helixtrans-65.9-45.9175.7-152.682.9000111.4E172 E173 K178 A179 I180E172-L176 VanDerWaalsContact O-CB 3.31Å; E172-L176 WeakPolarHBondContact O-CB 3.39Å; E172-L176 PolarHBondContact O-N 3.26Å; E173-L176 PolarHBondContact O-N 3.42Å; L176-K178 VanDerWaalsContact C-N 3.28Å; L176-K178 PolarHBondContact O-N 3.5Å; L176-A179 PolarHBondContact O-N 3.36Å; L176-I180 WeakPolarHBondContact O-CG1 3.37Å; L176-I180 PolarHBondContact O-N 3.49Å
177A78.4Confident65.9Low58 Ų58113.2 Ų113.248%0.47958%0.58SS.*Hα-helixtrans-61.1-39.2176.800000111.6E173 I180 E181E173-A177 WeakPolarHBondContact O-CB 3.32Å; E173-A177 PolarHBondContact O-N 3.36Å; A177-I180 PolarHBondContact O-N 3.28Å; A177-E181 PolarHBondContact O-N 3.34Å
178K81.1Confident66.5Low135 Ų135119.2 Ų119.259%0.58759%0.59SS**Hα-helixtrans-68.9-37.1177.7-161.8176-175.1-175.80112.5E174 D175 L176 E181 L182E174-K178 VanDerWaalsContact O-CB 3.32Å; E174-K178 WeakPolarHBondContact O-CB 3.4Å; E174-K178 PolarHBondContact O-N 3.38Å; D175-K178 PolarHBondContact O-N 3.26Å; L176-K178 VanDerWaalsContact C-N 3.28Å; L176-K178 PolarHBondContact O-N 3.5Å; K178-E181 PolarHBondContact O-N 2.97Å; K178-L182 PolarHBondContact O-N 3.41Å
179A74.3Confident66.7Low56 Ų56123.3 Ų123.346%0.46360%0.604SS.*Hα-helixtrans-66.9-37174.500000112.5D175 L176 S183D175-A179 WeakPolarHBondContact O-CB 3.48Å; D175-A179 PolarHBondContact O-N 3.31Å; L176-A179 PolarHBondContact O-N 3.36Å; A179-S183 WeakPolarHBondContact O-CB 3.38Å; A179-S183 PolarHBondContact O-N 2.92Å; A179-S183 PolarHBondContact O-OG 2.98Å
180I76.5Confident66.3Low94 Ų94127.3 Ų127.348%0.48262%0.62SS.*Hα-helixtrans-67.5-43.3174.1-65.5166.3000110.5L176 A177 L182 S183 L184L176-I180 WeakPolarHBondContact O-CG1 3.37Å; L176-I180 PolarHBondContact O-N 3.49Å; A177-I180 PolarHBondContact O-N 3.28Å; I180-L182 VanDerWaalsContact C-N 3.34Å; I180-L182 PolarHBondContact O-N 3.44Å; I180-S183 PolarHBondContact O-N 3.29Å; I180-L184 HydrophobicContact CG2-CD1 3.87Å; I180-L184 PolarHBondContact O-N 3.4Å
181E73.6Confident65.6Low109 Ų109126.9 Ų126.951%0.50963%0.63SS.*Hα-helixtrans-63.4-40.1177-160.2-161.8143.600111.8A177 K178 L184 K185A177-E181 PolarHBondContact O-N 3.34Å; K178-E181 PolarHBondContact O-N 2.97Å; E181-L184 PolarHBondContact O-N 3.48Å; E181-K185 PolarHBondContact O-N 3.11Å; E181-K185 IonicContact OE1-NZ 3Å; E181-K185 PolarHBondContact OE1-NZ 3.14Å
182L75Confident64.5Low119 Ų119128.7 Ų128.762%0.62364%0.641SS**Hα-helixtrans-63.4-42.9175.5-131.385.9000111.5K178 I180 K185 E186K178-L182 PolarHBondContact O-N 3.41Å; I180-L182 VanDerWaalsContact C-N 3.34Å; I180-L182 PolarHBondContact O-N 3.44Å; L182-K185 PolarHBondContact O-N 3.21Å; L182-E186 PolarHBondContact O-N 3.43Å
183S70.5Confident63.2Low79 Ų79129.7 Ų129.755%0.55266%0.656SS**Hα-helixtrans-63.9-40.3175.6-69.40000112.4A179 I180 E186 Q187A179-S183 WeakPolarHBondContact O-CB 3.38Å; A179-S183 PolarHBondContact O-N 2.92Å; A179-S183 PolarHBondContact O-OG 2.98Å; I180-S183 PolarHBondContact O-N 3.29Å; S183-E186 PolarHBondContact O-N 2.65Å; S183-Q187 PolarHBondContact O-N 3.45Å
184L69.6Low62Low115 Ų115127.9 Ų127.960%0.60266%0.658SS**Hα-helixtrans-67.4-34.9176-108.2102.9000112.6I180 E181I180-L184 HydrophobicContact CG2-CD1 3.87Å; I180-L184 PolarHBondContact O-N 3.4Å; E181-L184 PolarHBondContact O-N 3.48Å
185K66.4Low60.2Low129 Ų129129.6 Ų129.656%0.56167%0.671SS**Hα-helixtrans-69.7-37.9174.8-106.8165.9-177.3148.30111.9E181 L182 R188E181-K185 PolarHBondContact O-N 3.11Å; E181-K185 IonicContact OE1-NZ 3Å; E181-K185 PolarHBondContact OE1-NZ 3.14Å; L182-K185 PolarHBondContact O-N 3.21Å; K185-R188 PolarHBondContact O-N 3.14Å
186E65.7Low58.2Low145 Ų145129.8 Ų129.868%0.67868%0.681SS**Hα-helixtrans-68.7-37.1177.9-164.6168.2114.200111.8L182 S183 R188 Q189L182-E186 PolarHBondContact O-N 3.43Å; S183-E186 PolarHBondContact O-N 2.65Å; E186-R188 PolarHBondContact O-N 3.37Å; E186-Q189 PolarHBondContact O-N 2.86Å
187Q53.7Low56.5Low168 Ų168129.9 Ų129.979%0.78569%0.691SS**Hα-helixtrans-68.9-16.8176.4-157.616621.900113.7S183S183-Q187 PolarHBondContact O-N 3.45Å
188R56.3Low54.3Low232 Ų232135 Ų13588%0.87571%0.709SS**THydrogen-bonded Turntrans-89.2-4.2178.4-152.4175.7179.4163.11113.8K185 E186K185-R188 PolarHBondContact O-N 3.14Å; E186-R188 PolarHBondContact O-N 3.37Å
189Q50.1Low52.3Low166 Ų166139.3 Ų139.378%0.77672%0.723SS**SBendtrans-115.19.1-173.6-76.4-1708.600116.9E186 P191E186-Q189 PolarHBondContact O-N 2.86Å; Q189-P191 WeakPolarHBondContact O-CD 3.42Å
190Q39.3Very low50.6Low175 Ų175142 Ų14282%0.81874%0.736SS**PPolyproline II helixtrans-92.3123.9172.5-77.3-171.84.500113.5
191P41.4Very low48.4Very low119 Ų119143.1 Ų143.177%0.77375%0.752SS**PPolyproline II helixtrans-78147.1170-4.722.6000111.6Q189 T193Q189-P191 WeakPolarHBondContact O-CD 3.42Å; P191-T193 PolarHBondContact O-N 3.25Å
192Q38.3Very low46.6Very low188 Ų188143.9 Ų143.988%0.87976%0.764SS**PPolyproline II helixtrans-53129.3179.8-68.1-136.5-23.700114.6
193T31.7Very low44.9Very low144 Ų144143.8 Ų143.888%0.88377%0.774SS**  trans-135.1125144.950.40000109.4P191P191-T193 PolarHBondContact O-N 3.25Å
194S38.9Very low43.4Very low102 Ų102145.1 Ų145.171%0.71378%0.783SS**  trans-81.8132.5-173.850.10000112.3
195L34.6Very low41.9Very low167 Ų167146.3 Ų146.387%0.87479%0.789SS**  trans-155.2111.1142.8-78-171.1000112
196S33.7Very low40.4Very low111 Ų111149 Ų14978%0.77681%0.809SS**  trans48.995.3140.6-56.40000122
197S37.3Very low38.8Very low117 Ų117146 Ų14682%0.81880%0.804SS**  32.894.6111.3-150.20000118.6
198L32.8Very low37.6Very low164 Ų164142.8 Ų142.886%0.85980%0.795SS**  trans-149.784.6147.7-79177.4000107.9
199Y37.9Very low36.6Very low227 Ų227140.8 Ų140.889%0.8980%0.796SS**SBendtrans-177.5146.9147.8-106.6-83.3000109.5
200P39.3Very low35.8Very low113 Ų113141.8 Ų141.873%0.73480%0.797SS**  trans-73.7146.1-171.1-10.227000112.9T202P200-T202 PolarHBondContact O-N 3.29Å
201S31.1Very low35.9Very low116 Ų116137 Ų13781%0.81178%0.783SS**  trans-56.5119.6176.1-52.20000112.7S203S201-S203 VanDerWaalsContact C-N 3.33Å; S201-S203 PolarHBondContact O-N 2.92Å; S201-S203 VanDerWaalsContact O-N 3.07Å
202T35.7Very low36.2Very low126 Ų126139.6 Ų139.677%0.77379%0.791SS**  trans-80.281.7167.455.60000109.7P200P200-T202 PolarHBondContact O-N 3.29Å
203S38.8Very low37.2Very low117 Ų117131.7 Ų131.782%0.81876%0.76SS**  trans-112.668157-62.90000107.9S201S201-S203 VanDerWaalsContact C-N 3.33Å; S201-S203 PolarHBondContact O-N 2.92Å; S201-S203 VanDerWaalsContact O-N 3.07Å
204S38.9Very low39.6Very low106 Ų106131.9 Ų131.974%0.74174%0.744SS**  trans169.582.2158.6-177.90000109.4
205L37.7Very low41.9Very low141 Ų141132.6 Ų132.674%0.73874%0.735SS**  trans-153.267.7160.2-75.6-172.6000110.5S207L205-S207 PolarHBondContact O-N 3.34Å
206L35.9Very low44.5Very low186 Ų186124.8 Ų124.897%0.97469%0.694SS**  trans-80.974.7140.3-82.1161000106.2
207S30.9Very low47.1Very low81 Ų81121.1 Ų121.157%0.56666%0.663SS**SBendtrans-175.4135.1165.1-131.50000110.1L205L205-S207 PolarHBondContact O-N 3.34Å
208T30Very low49.5Very low100 Ų100115.7 Ų115.761%0.61363%0.625SS**  trans76.278.8154.5-36.60000115K210T208-K210 HydrophobicContact CG2-CB 3.91Å; T208-K210 HydrophobicContact CG2-CD 4.18Å; T208-K210 HydrophobicContact CG2-CG 3.64Å; T208-K210 PolarHBondContact O-N 3.42Å
209H33.7Very low52.2Low190 Ų190110.4 Ų110.488%0.8860%0.597SS**  trans-57.990.3135.2-95.8-85000106.4S211H209-S211 PolarHBondContact O-N 3.11Å
210K34.8Very low54.4Low187 Ų187104 Ų10481%0.81357%0.572SS**  trans-71.179.8158.9-117.3171.3-178.8178.80104.3T208 D212T208-K210 HydrophobicContact CG2-CB 3.91Å; T208-K210 HydrophobicContact CG2-CD 4.18Å; T208-K210 HydrophobicContact CG2-CG 3.64Å; T208-K210 PolarHBondContact O-N 3.42Å; K210-D212 PolarHBondContact O-N 3.25Å
211S40.7Very low56.8Low75 Ų75102.3 Ų102.352%0.52456%0.557SS.*  trans-54132.6147.842.10000105.4H209 G213H209-S211 PolarHBondContact O-N 3.11Å; S211-G213 WeakPolarHBondContact O-CA 3.13Å; S211-G213 PolarHBondContact O-N 3.34Å
212D48.1Very low59.5Low174 Ų17498.2 Ų98.293%0.9352%0.524SS*.  trans-52.7103.5158-116.5-50.1000105.3K210 R214K210-D212 PolarHBondContact O-N 3.25Å; D212-R214 PolarHBondContact O-N 2.84Å
213G59.7Low62.1Low22 Ų2299.8 Ų99.823%0.22752%0.523CS..  trans-62.2123.4-156.700000109.9S211 K215S211-G213 WeakPolarHBondContact O-CA 3.13Å; S211-G213 PolarHBondContact O-N 3.34Å; G213-K215 PolarHBondContact O-N 3.47Å
214R80.5Confident64.4Low147 Ų14795.8 Ų95.856%0.55550%0.497SS*.  trans-56.5112.7171.9-175.2-175.6-75.4159.5-1.7106.8D212 I240 D243D212-R214 PolarHBondContact O-N 2.84Å; R214-I240 HydrophobicContact CB-CB 4.5Å; R214-I240 HydrophobicContact CB-CD1 4.42Å; R214-I240 HydrophobicContact CG-CD1 4.25Å; R214-I240 WeakPolarHBondContact O-CB 3.31Å; R214-I240 WeakPolarHBondContact O-CG1 3.37Å; R214-I240 PolarHBondContact O-N 3.16Å; R214-D243 IonicContact NH1-OD2 2.74Å; R214-D243 PolarHBondContact NH1-OD2 2.95Å
215K87.6Confident66.3Low117 Ų11795.1 Ų95.151%0.50950%0.498SS..EExtended strand (participates in β ladder)trans-90.1131.6177-70.2-178-177.9-175.50108.4G213 I237 I238 L269G213-K215 PolarHBondContact O-N 3.47Å; K215-I237 HydrophobicContact CB-CG2 3.87Å; K215-I237 HydrophobicContact CD-CG2 4Å; K215-I237 HydrophobicContact CG-CG2 4.13Å; K215-I238 WeakPolarHBondContact CA-O 3.12Å; K215-L269 HydrophobicContact CB-CD1 4.46Å; K215-L269 HydrophobicContact CB-CD2 4.41Å
216V88.9Confident68.5Low3 Ų394 Ų942%0.01849%0.489CS..EExtended strand (participates in β ladder)trans-124.5156.9175-65.90000108.4I237 I238 I240 V265 T266V216-I237 CarbonylContact O-C 3.59Å; V216-I237 WeakPolarHBondContact O-CA 3.48Å; V216-I238 HydrophobicContact CG2-CB 4.1Å; V216-I238 PolarHBondContact N-O 2.93Å; V216-I238 PolarHBondContact O-N 3.35Å; V216-I240 HydrophobicContact CB-CD1 4.35Å; V216-I240 HydrophobicContact CG1-CD1 3.46Å; V216-I240 VanDerWaalsContact CG1-CD1 3.46Å; V216-I240 HydrophobicContact CG1-CG1 4.21Å; V216-I240 HydrophobicContact CG2-CD1 3.93Å; V216-I240 HydrophobicContact CG2-CG1 3.85Å; V216-V265 HydrophobicContact CB-CB 3.97Å; V216-V265 HydrophobicContact CB-CG2 4.15Å; V216-V265 HydrophobicContact CG2-CB 3.75Å; V216-V265 HydrophobicContact CG2-CG1 3.99Å; V216-V265 HydrophobicContact CG2-CG2 3.86Å; V216-T266 CarbonylContact C-O 3.56Å; V216-T266 VanDerWaalsContact CA-O 3.3Å; V216-T266 WeakPolarHBondContact CA-O 3.34Å; V216-T266 WeakPolarHBondContact CB-O 3.34Å
217R88.1Confident70.5Confident34 Ų3493.7 Ų93.713%0.12849%0.488CS..EExtended strand (participates in β ladder)trans-111.7134.7177.5-177.5160.338154.619.7110.7I219 G235 E236 I237 V265 T266 D268 L269 A271R217-I219 PolarHBondContact O-N 3.46Å; R217-G235 WeakPolarHBondContact CD-O 3.5Å; R217-E236 CarbonylContact C-O 3.56Å; R217-E236 WeakPolarHBondContact CA-O 3.49Å; R217-I237 HydrophobicContact CB-CD1 3.67Å; R217-I237 HydrophobicContact CG-CD1 3.79Å; R217-V265 CarbonylContact O-C 3.59Å; R217-V265 VanDerWaalsContact O-CA 3.22Å; R217-V265 WeakPolarHBondContact O-CA 3.48Å; R217-T266 HydrophobicContact CB-CG2 4.39Å; R217-T266 PolarHBondContact N-O 3.17Å; R217-T266 PolarHBondContact O-N 2.97Å; R217-D268 PolarHBondContact NE-O 3.38Å; R217-D268 PolarHBondContact NH2-O 2.95Å; R217-L269 HydrophobicContact CB-CD2 4.28Å; R217-L269 PolarHBondContact NH1-O 3.01Å; R217-L269 PolarHBondContact NH2-O 3.19Å; R217-A271 PolarHBondContact NH1-O 3.35Å; R217-A271 VanDerWaalsContact NH2-CA 3.29Å; R217-A271 PolarHBondContact NH2-O 2.83Å
218A89.3Confident73.2Confident3 Ų393.7 Ų93.73%0.02548%0.482CS..EExtended strand (participates in β ladder)trans-61.1125.9172.300000110.7F232 K233 G235 E236 I238 F264A218-F232 HydrophobicContact CB-CD2 3.29Å; A218-F232 HydrophobicContact CB-CE2 3.42Å; A218-F232 VanDerWaalsContact CB-CE2 3.42Å; A218-F232 HydrophobicContact CB-CG 4.38Å; A218-K233 WeakPolarHBondContact CB-O 3.44Å; A218-G235 PolarHBondContact O-N 2.87Å; A218-E236 PolarHBondContact N-O 3.2Å; A218-I238 HydrophobicContact CB-CD1 4.28Å; A218-F264 CarbonylContact C-O 3.34Å; A218-F264 WeakPolarHBondContact CA-O 3.4Å
219I88.5Confident76Confident53 Ų5390.4 Ų90.427%0.27246%0.46SS..SBendtrans-93.2-21.2172.952.5168.6000111.9R217 F264 T266R217-I219 PolarHBondContact O-N 3.46Å; I219-F264 VanDerWaalsContact CG1-C 3.47Å; I219-F264 VanDerWaalsContact CG1-O 3.32Å; I219-F264 WeakPolarHBondContact CG1-O 3.41Å; I219-F264 PolarHBondContact N-O 3.09Å; I219-T266 HydrophobicContact CG2-CG2 3.48Å; I219-T266 VanDerWaalsContact CG2-CG2 3.48Å
220Y84.9Confident78.7Confident94 Ų9481.7 Ų81.737%0.36942%0.419SS..SBendtrans-131.8160.5176.3-54.5-63.4000111F232 F264Y220-F232 WeakPolarHBondContact O-CE2 3.39Å; Y220-F264 HydrophobicContact CD2-CD1 4.25Å; Y220-F264 HydrophobicContact CD2-CG 4.35Å; Y220-F264 HydrophobicContact CG-CD1 4.44Å
221D88.4Confident81.2Confident76 Ų7674.9 Ų74.941%0.40639%0.393SS..  trans-70.5137.4167.6-73.512.2000109.6K233 S234D221-K233 HydrophobicContact CB-CD 4.19Å; D221-K233 VanDerWaalsContact CG-CD 3.43Å; D221-K233 WeakPolarHBondContact OD2-CD 3.47Å; D221-K233 IonicContact OD2-NZ 3.01Å; D221-K233 PolarHBondContact OD2-NZ 3.42Å; D221-S234 WeakPolarHBondContact OD1-CB 3.18Å; D221-S234 PolarHBondContact OD1-N 2.96Å; D221-S234 PolarHBondContact OD1-OG 3.33Å
222F89.3Confident83.6Confident30 Ų3071.3 Ų71.313%0.13237%0.369CS..BIsolated β-bridgetrans-133.5126.6174-177.1-108.7000109.7E229 L230 T231 F232 W248 F260 P261 F264F222-E229 HydrophobicContact CE1-CB 4.34Å; F222-L230 WeakPolarHBondContact CD1-O 3.49Å; F222-T231 CarbonylContact O-C 3.59Å; F222-T231 WeakPolarHBondContact O-CA 3.38Å; F222-F232 HydrophobicContact CB-CD1 4.33Å; F222-F232 HydrophobicContact CB-CD2 4.23Å; F222-F232 HydrophobicContact CB-CE1 3.88Å; F222-F232 HydrophobicContact CB-CE2 3.77Å; F222-F232 HydrophobicContact CB-CZ 3.59Å; F222-F232 HydrophobicContact CD1-CD1 4.39Å; F222-F232 AromaticContact CD1-CE1 3.85Å; F222-F232 HydrophobicContact CD1-CE1 3.85Å; F222-F232 HydrophobicContact CD1-CZ 4.27Å; F222-F232 HydrophobicContact CG-CE1 4.24Å; F222-F232 HydrophobicContact CG-CZ 4.22Å; F222-F232 PolarHBondContact N-O 2.94Å; F222-F232 PolarHBondContact O-N 3.39Å; F222-W248 HydrophobicContact CZ-CH2 4.43Å; F222-W248 HydrophobicContact CZ-CZ3 4.38Å; F222-F260 HydrophobicContact CD1-CB 4.13Å; F222-F260 HydrophobicContact CE1-CB 4.13Å; F222-P261 HydrophobicContact CD2-CG 4.28Å; F222-P261 HydrophobicContact CE2-CG 3.83Å; F222-P261 HydrophobicContact CZ-CG 4.17Å; F222-F264 HydrophobicContact CB-CD1 3.98Å; F222-F264 HydrophobicContact CB-CE1 4.46Å; F222-F264 HydrophobicContact CD2-CD1 4.22Å; F222-F264 HydrophobicContact CD2-CE1 4.17Å; F222-F264 HydrophobicContact CG-CD1 4.45Å
223E89.1Confident85.5Confident160 Ų16068.3 Ų68.375%0.74835%0.347SS*.  trans-112.6124.2178.9-172.1172.9-178.800108.5A225E223-A225 PolarHBondContact O-N 3.05Å
224A86.9Confident86.8Confident32 Ų3269.4 Ų69.426%0.26435%0.352SS..  trans-62.2123.4-179.900000110.1E229 T231A224-E229 HydrophobicContact CB-CB 3.65Å; A224-E229 WeakPolarHBondContact CB-O 3.17Å; A224-T231 WeakPolarHBondContact CB-OG1 3.29Å; A224-T231 PolarHBondContact N-OG1 3.41Å
225A79.3Confident86.9Confident92 Ų9264.1 Ų64.176%0.7634%0.342SS*.SBendtrans-87.6-27.7170.900000111.5E223 E229E223-A225 PolarHBondContact O-N 3.05Å; A225-E229 WeakPolarHBondContact CA-OE2 3.24Å; A225-E229 PolarHBondContact N-OE2 3.15Å
226E83Confident86.9Confident118 Ų11859.9 Ų59.955%0.55132%0.324SS*.SBendtrans-120.6155178.9-60.4-175.5-162.800112.3N228 E229E226-N228 WeakPolarHBondContact CB-OD1 3.42Å; E226-N228 PolarHBondContact O-N 2.98Å; E226-N228 VanDerWaalsContact O-N 3.07Å; E226-N228 PolarHBondContact OE2-OD1 3.27Å; E226-E229 HydrophobicContact CB-CG 4.16Å; E226-E229 PolarHBondContact N-OE2 3.05Å; E226-E229 VanDerWaalsContact N-OE2 3.08Å; E226-E229 WeakPolarHBondContact O-CB 3.24Å; E226-E229 PolarHBondContact O-N 3.46Å
227D79.4Confident86.9Confident179 Ų17963.2 Ų63.296%0.95734%0.342SS*.THydrogen-bonded Turntrans-64.3-16.8-175.1-65.5-19.5000113.9
228N86.1Confident87Confident82 Ų8261.6 Ų61.644%0.43934%0.335SS..THydrogen-bonded Turntrans-92.71.917754.2-79.9000113.8E226 G258 L259E226-N228 WeakPolarHBondContact CB-OD1 3.42Å; E226-N228 PolarHBondContact O-N 2.98Å; E226-N228 VanDerWaalsContact O-N 3.07Å; E226-N228 PolarHBondContact OE2-OD1 3.27Å; N228-G258 WeakPolarHBondContact O-CA 3.26Å; N228-L259 PolarHBondContact O-N 3.41Å
229E90Very high87.1Confident31 Ų3163.3 Ų63.315%0.14535%0.346CS..BIsolated β-bridgetrans-100.4152.8-178.2-61.9177.3159.600112.1F222 A224 A225 E226 W248 L259F222-E229 HydrophobicContact CE1-CB 4.34Å; A224-E229 HydrophobicContact CB-CB 3.65Å; A224-E229 WeakPolarHBondContact CB-O 3.17Å; A225-E229 WeakPolarHBondContact CA-OE2 3.24Å; A225-E229 PolarHBondContact N-OE2 3.15Å; E226-E229 HydrophobicContact CB-CG 4.16Å; E226-E229 PolarHBondContact N-OE2 3.05Å; E226-E229 VanDerWaalsContact N-OE2 3.08Å; E226-E229 WeakPolarHBondContact O-CB 3.24Å; E226-E229 PolarHBondContact O-N 3.46Å; E229-W248 HydrophobicContact CG-CH2 4.43Å; E229-W248 HydrophobicContact CG-CZ3 4.05Å; E229-W248 WeakPolarHBondContact OE1-CH2 3.4Å; E229-L259 CarbonylContact C-O 3.48Å; E229-L259 VanDerWaalsContact CA-O 3.25Å; E229-L259 WeakPolarHBondContact CA-O 3.43Å
230L89.3Confident87.2Confident6 Ų661.2 Ų61.23%0.03134%0.335CS..PPolyproline II helixtrans-99.4116.7-177-173.965.4000110.8F222 F232 I238 T253 G256 L259 F260F222-L230 WeakPolarHBondContact CD1-O 3.49Å; L230-F232 HydrophobicContact CD2-CD1 4.31Å; L230-F232 HydrophobicContact CG-CD1 4.23Å; L230-F232 WeakPolarHBondContact O-CD1 3.46Å; L230-I238 HydrophobicContact CD2-CG2 4Å; L230-T253 HydrophobicContact CD1-CG2 4.4Å; L230-T253 HydrophobicContact CD2-CG2 3.79Å; L230-T253 HydrophobicContact CG-CG2 4.27Å; L230-G256 VanDerWaalsContact CD1-O 3.31Å; L230-G256 WeakPolarHBondContact CD1-O 3.04Å; L230-L259 PolarHBondContact N-O 2.98Å; L230-F260 HydrophobicContact CB-CD1 4.47Å; L230-F260 HydrophobicContact CD2-CD1 3.97Å; L230-F260 HydrophobicContact CD2-CE1 4.41Å
231T88.7Confident87.1Confident44 Ų4461 Ų6127%0.2734%0.339SS..PPolyproline II helixtrans-80.2132.8171.2-62.60000110.8F222 A224 Q255F222-T231 CarbonylContact O-C 3.59Å; F222-T231 WeakPolarHBondContact O-CA 3.38Å; A224-T231 WeakPolarHBondContact CB-OG1 3.29Å; A224-T231 PolarHBondContact N-OG1 3.41Å; T231-Q255 PolarHBondContact O-OE1 2.92Å
232F90.5Very high86.8Confident1 Ų160.8 Ų60.80%0.00434%0.339CS..BIsolated β-bridgetrans-152.6162.917457.3-98.1000112.3A218 Y220 F222 L230 I238 T253 F260 F264 V265A218-F232 HydrophobicContact CB-CD2 3.29Å; A218-F232 HydrophobicContact CB-CE2 3.42Å; A218-F232 VanDerWaalsContact CB-CE2 3.42Å; A218-F232 HydrophobicContact CB-CG 4.38Å; Y220-F232 WeakPolarHBondContact O-CE2 3.39Å; F222-F232 HydrophobicContact CB-CD1 4.33Å; F222-F232 HydrophobicContact CB-CD2 4.23Å; F222-F232 HydrophobicContact CB-CE1 3.88Å; F222-F232 HydrophobicContact CB-CE2 3.77Å; F222-F232 HydrophobicContact CB-CZ 3.59Å; F222-F232 HydrophobicContact CD1-CD1 4.39Å; F222-F232 AromaticContact CD1-CE1 3.85Å; F222-F232 HydrophobicContact CD1-CE1 3.85Å; F222-F232 HydrophobicContact CD1-CZ 4.27Å; F222-F232 HydrophobicContact CG-CE1 4.24Å; F222-F232 HydrophobicContact CG-CZ 4.22Å; F222-F232 PolarHBondContact N-O 2.94Å; F222-F232 PolarHBondContact O-N 3.39Å; L230-F232 HydrophobicContact CD2-CD1 4.31Å; L230-F232 HydrophobicContact CG-CD1 4.23Å; L230-F232 WeakPolarHBondContact O-CD1 3.46Å; F232-I238 HydrophobicContact CB-CD1 4.43Å; F232-I238 HydrophobicContact CD1-CD1 3.64Å; F232-I238 HydrophobicContact CD1-CG1 4.43Å; F232-I238 HydrophobicContact CD2-CD1 3.9Å; F232-I238 HydrophobicContact CE1-CD1 3.69Å; F232-I238 HydrophobicContact CE2-CD1 3.95Å; F232-I238 HydrophobicContact CG-CD1 3.73Å; F232-I238 HydrophobicContact CG-CG1 4.42Å; F232-I238 HydrophobicContact CZ-CD1 3.84Å; F232-T253 HydrophobicContact CB-CG2 4.39Å; F232-F260 HydrophobicContact CE1-CB 3.49Å; F232-F260 VanDerWaalsContact CE1-CB 3.49Å; F232-F260 HydrophobicContact CE1-CD1 4.38Å; F232-F260 AromaticContact CE1-CD2 3.98Å; F232-F260 HydrophobicContact CE1-CD2 3.98Å; F232-F260 AromaticContact CE1-CG 3.69Å; F232-F260 HydrophobicContact CE1-CG 3.69Å; F232-F260 HydrophobicContact CZ-CB 4.14Å; F232-F260 HydrophobicContact CZ-CD2 4.07Å; F232-F260 HydrophobicContact CZ-CG 4.25Å; F232-F264 HydrophobicContact CE2-CB 4.36Å; F232-F264 HydrophobicContact CZ-CB 4.04Å; F232-V265 HydrophobicContact CZ-CG1 4.31Å
233K88Confident86.5Confident110 Ų11063 Ų6348%0.47835%0.351SS..  trans-104151.8176.7-66.9-60.5-171.7-175.40112.1A218 D221 G235 E236A218-K233 WeakPolarHBondContact CB-O 3.44Å; D221-K233 HydrophobicContact CB-CD 4.19Å; D221-K233 VanDerWaalsContact CG-CD 3.43Å; D221-K233 WeakPolarHBondContact OD2-CD 3.47Å; D221-K233 IonicContact OD2-NZ 3.01Å; D221-K233 PolarHBondContact OD2-NZ 3.42Å; K233-G235 PolarHBondContact O-N 3.05Å; K233-E236 PolarHBondContact N-OE2 3.32Å; K233-E236 WeakPolarHBondContact O-CB 3.44Å; K233-E236 PolarHBondContact O-N 3.47Å
234S86.2Confident86.1Confident46 Ų4660 Ų6032%0.32235%0.348SS..THydrogen-bonded Turntrans-50.4135.9170.349.90000110.5D221 E236D221-S234 WeakPolarHBondContact OD1-CB 3.18Å; D221-S234 PolarHBondContact OD1-N 2.96Å; D221-S234 PolarHBondContact OD1-OG 3.33Å; S234-E236 VanDerWaalsContact C-N 3.33Å
235G82.6Confident85.8Confident35 Ų3563.5 Ų63.536%0.36136%0.363SS..THydrogen-bonded Turntrans85.6-9.3-174.500000115.5R217 A218 K233R217-G235 WeakPolarHBondContact CD-O 3.5Å; A218-G235 PolarHBondContact O-N 2.87Å; K233-G235 PolarHBondContact O-N 3.05Å
236E88.5Confident85.7Confident28 Ų2863.8 Ų63.813%0.13136%0.357CS..  trans-74.8142.6-179.7-165.3173.8156.300112.4R217 A218 K233 S234 T253 Y254R217-E236 CarbonylContact C-O 3.56Å; R217-E236 WeakPolarHBondContact CA-O 3.49Å; A218-E236 PolarHBondContact N-O 3.2Å; K233-E236 PolarHBondContact N-OE2 3.32Å; K233-E236 WeakPolarHBondContact O-CB 3.44Å; K233-E236 PolarHBondContact O-N 3.47Å; S234-E236 VanDerWaalsContact C-N 3.33Å; E236-T253 WeakPolarHBondContact OE1-CB 3.48Å; E236-T253 WeakPolarHBondContact OE1-CG2 3.38Å; E236-Y254 VanDerWaalsContact CD-CE1 3.44Å; E236-Y254 HydrophobicContact CG-CE1 4.41Å; E236-Y254 WeakPolarHBondContact OE1-CD1 3.36Å; E236-Y254 WeakPolarHBondContact OE1-CE1 3.44Å
237I89.2Confident85.7Confident74 Ų7463 Ų6338%0.37936%0.357SS..EExtended strand (participates in β ladder)trans-91.6120178.6-54.7-51.6000110K215 V216 R217 L269K215-I237 HydrophobicContact CB-CG2 3.87Å; K215-I237 HydrophobicContact CD-CG2 4Å; K215-I237 HydrophobicContact CG-CG2 4.13Å; V216-I237 CarbonylContact O-C 3.59Å; V216-I237 WeakPolarHBondContact O-CA 3.48Å; R217-I237 HydrophobicContact CB-CD1 3.67Å; R217-I237 HydrophobicContact CG-CD1 3.79Å; I237-L269 HydrophobicContact CD1-CD2 3.79Å
238I90.6Very high86.2Confident0 Ų059.4 Ų59.40%033%0.329CS..EExtended strand (participates in β ladder)trans-107.4133.4179-56.9154.7000108.3K215 V216 A218 L230 F232 T253 F260 V265K215-I238 WeakPolarHBondContact CA-O 3.12Å; V216-I238 HydrophobicContact CG2-CB 4.1Å; V216-I238 PolarHBondContact N-O 2.93Å; V216-I238 PolarHBondContact O-N 3.35Å; A218-I238 HydrophobicContact CB-CD1 4.28Å; L230-I238 HydrophobicContact CD2-CG2 4Å; F232-I238 HydrophobicContact CB-CD1 4.43Å; F232-I238 HydrophobicContact CD1-CD1 3.64Å; F232-I238 HydrophobicContact CD1-CG1 4.43Å; F232-I238 HydrophobicContact CD2-CD1 3.9Å; F232-I238 HydrophobicContact CE1-CD1 3.69Å; F232-I238 HydrophobicContact CE2-CD1 3.95Å; F232-I238 HydrophobicContact CG-CD1 3.73Å; F232-I238 HydrophobicContact CG-CG1 4.42Å; F232-I238 HydrophobicContact CZ-CD1 3.84Å; I238-T253 HydrophobicContact CB-CG2 4.25Å; I238-T253 HydrophobicContact CG1-CG2 3.59Å; I238-T253 HydrophobicContact CG2-CG2 4.27Å; I238-F260 HydrophobicContact CG2-CD1 4.5Å; I238-F260 HydrophobicContact CG2-CE1 3.71Å; I238-F260 HydrophobicContact CG2-CZ 3.96Å; I238-V265 HydrophobicContact CD1-CG1 3.63Å
239T90.3Very high86.4Confident39 Ų3958 Ų5824%0.23932%0.318CS..EExtended strand (participates in β ladder)trans-92.5118.6173.9-53.50000108.8L241 G251 E252T239-L241 PolarHBondContact O-N 2.74Å; T239-G251 CarbonylContact O-C 3.55Å; T239-G251 WeakPolarHBondContact O-CA 3.35Å; T239-E252 PolarHBondContact N-O 3.14Å; T239-E252 PolarHBondContact O-N 3.43Å
240I90.2Very high86.4Confident9 Ų960.8 Ų60.85%0.04633%0.33CS..EExtended strand (participates in β ladder)trans-72.7128.3-179.6-62.1175.7000109.8R214 V216 D243 W249R214-I240 HydrophobicContact CB-CB 4.5Å; R214-I240 HydrophobicContact CB-CD1 4.42Å; R214-I240 HydrophobicContact CG-CD1 4.25Å; R214-I240 WeakPolarHBondContact O-CB 3.31Å; R214-I240 WeakPolarHBondContact O-CG1 3.37Å; R214-I240 PolarHBondContact O-N 3.16Å; V216-I240 HydrophobicContact CB-CD1 4.35Å; V216-I240 HydrophobicContact CG1-CD1 3.46Å; V216-I240 VanDerWaalsContact CG1-CD1 3.46Å; V216-I240 HydrophobicContact CG1-CG1 4.21Å; V216-I240 HydrophobicContact CG2-CD1 3.93Å; V216-I240 HydrophobicContact CG2-CG1 3.85Å; I240-D243 HydrophobicContact CG2-CB 4.1Å; I240-W249 HydrophobicContact CD1-CE3 3.61Å; I240-W249 HydrophobicContact CD1-CZ3 3.71Å; I240-W249 HydrophobicContact CG1-CE3 4.4Å
241L84.5Confident86.4Confident88 Ų8860.5 Ų60.546%0.46133%0.328SS..EExtended strand (participates in β ladder)trans-102.8-31.8174-64.4179000112.3T239 K250 E252 V257T239-L241 PolarHBondContact O-N 2.74Å; L241-K250 PolarHBondContact N-O 3.32Å; L241-E252 HydrophobicContact CD1-CB 4Å; L241-E252 HydrophobicContact CG-CB 4.23Å; L241-V257 HydrophobicContact CD1-CB 4.4Å; L241-V257 HydrophobicContact CD1-CG1 3.59Å; L241-V257 HydrophobicContact CD1-CG2 3.86Å
242D80.9Confident86.4Confident73 Ų7362.9 Ų62.939%0.3934%0.336SS..EExtended strand (participates in β ladder)trans-153122.6178-164-9.7000110.9S244 W249 K250D242-S244 WeakPolarHBondContact OD1-CB 3.15Å; D242-S244 PolarHBondContact OD1-N 3.39Å; D242-S244 PolarHBondContact OD1-OG 3.4Å; D242-W249 WeakPolarHBondContact O-CA 3.42Å; D242-K250 HydrophobicContact CB-CB 3.77Å; D242-K250 PolarHBondContact N-O 2.92Å; D242-K250 VanDerWaalsContact N-O 3.08Å; D242-K250 PolarHBondContact O-N 3.46Å
243D84.1Confident86.3Confident75 Ų7563.6 Ų63.640%0.40134%0.341SS..  trans-115.120174.864-35.9000113R214 I240 D245 W249R214-D243 IonicContact NH1-OD2 2.74Å; R214-D243 PolarHBondContact NH1-OD2 2.95Å; I240-D243 HydrophobicContact CG2-CB 4.1Å; D243-D245 PolarHBondContact O-N 3.46Å; D243-W249 HydrophobicContact CB-CD2 4.2Å; D243-W249 HydrophobicContact CB-CG 4.24Å
244S80.6Confident85.8Confident98 Ų9866.7 Ų66.769%0.68535%0.351SS*.  trans-60.8-29.1-177.8-59.80000113.9D242D242-S244 WeakPolarHBondContact OD1-CB 3.15Å; D242-S244 PolarHBondContact OD1-N 3.39Å; D242-S244 PolarHBondContact OD1-OG 3.4Å
245D79.1Confident85.4Confident106 Ų10669.4 Ų69.457%0.56736%0.358SS*.SBendtrans-98.3131.2178.4-81.7-68.1000111.3D243 N247 W248 W249D243-D245 PolarHBondContact O-N 3.46Å; D245-N247 VanDerWaalsContact C-N 3.28Å; D245-N247 PolarHBondContact O-N 2.92Å; D245-W248 VanDerWaalsContact CB-O 3.32Å; D245-W248 WeakPolarHBondContact CB-O 3.41Å; D245-W249 PolarHBondContact O-NE1 3.29Å
246P79Confident85.4Confident98 Ų9869.2 Ų69.264%0.63636%0.356SS*.SBendtrans-68.7-24.8-175.423.7-31.9000113.8S262P246-S262 PolarHBondContact O-OG 2.87Å
247N82.4Confident85.4Confident102 Ų10271.3 Ų71.355%0.54537%0.371SS..SBendtrans-102.3-26.5-175.6-70.788.2000113.8D245 P261 S262D245-N247 VanDerWaalsContact C-N 3.28Å; D245-N247 PolarHBondContact O-N 2.92Å; N247-P261 VanDerWaalsContact O-CA 3.31Å; N247-P261 WeakPolarHBondContact O-CA 3.29Å; N247-S262 PolarHBondContact O-N 2.99Å; N247-S262 VanDerWaalsContact O-N 3.09Å
248W89.4Confident85.4Confident102 Ų10268 Ų6839%0.38635%0.354SS..EExtended strand (participates in β ladder)trans-134.4115.4-172.6-76.487.4000110.4F222 E229 D245 L259 F260F222-W248 HydrophobicContact CZ-CH2 4.43Å; F222-W248 HydrophobicContact CZ-CZ3 4.38Å; E229-W248 HydrophobicContact CG-CH2 4.43Å; E229-W248 HydrophobicContact CG-CZ3 4.05Å; E229-W248 WeakPolarHBondContact OE1-CH2 3.4Å; D245-W248 VanDerWaalsContact CB-O 3.32Å; D245-W248 WeakPolarHBondContact CB-O 3.41Å; W248-L259 HydrophobicContact CE3-CB 3.87Å; W248-L259 HydrophobicContact CZ3-CB 4.3Å; W248-F260 CarbonylContact C-O 3.59Å; W248-F260 WeakPolarHBondContact CA-O 3.38Å
249W91.4Very high85.4Confident53 Ų5370.8 Ų70.820%0.20137%0.369CS..EExtended strand (participates in β ladder)trans-104.8149.1178.6-66.7-8.6000110.6I240 D242 D243 D245 L259 F260 S262 V265I240-W249 HydrophobicContact CD1-CE3 3.61Å; I240-W249 HydrophobicContact CD1-CZ3 3.71Å; I240-W249 HydrophobicContact CG1-CE3 4.4Å; D242-W249 WeakPolarHBondContact O-CA 3.42Å; D243-W249 HydrophobicContact CB-CD2 4.2Å; D243-W249 HydrophobicContact CB-CG 4.24Å; D245-W249 PolarHBondContact O-NE1 3.29Å; W249-L259 CarbonylContact O-C 3.4Å; W249-L259 VanDerWaalsContact O-CA 3.31Å; W249-L259 WeakPolarHBondContact O-CA 3.47Å; W249-F260 HydrophobicContact CB-CE1 4.16Å; W249-F260 HydrophobicContact CB-CE2 4.12Å; W249-F260 HydrophobicContact CB-CZ 3.82Å; W249-F260 HydrophobicContact CE3-CE2 4.38Å; W249-F260 HydrophobicContact CE3-CZ 4.43Å; W249-F260 PolarHBondContact N-O 3.42Å; W249-F260 VanDerWaalsContact O-CD1 3.31Å; W249-F260 WeakPolarHBondContact O-CD1 3.45Å; W249-F260 PolarHBondContact O-N 3.29Å; W249-S262 VanDerWaalsContact CE2-CB 3.46Å; W249-V265 HydrophobicContact CE3-CG2 3.92Å; W249-V265 HydrophobicContact CZ3-CG2 3.78Å
250K88.3Confident85.4Confident89 Ų8968.9 Ų68.939%0.38736%0.357SS..EExtended strand (participates in β ladder)trans-97.5128.3171.8-164.3175.5-179.6174.90109.2L241 D242 V257 G258 L259L241-K250 PolarHBondContact N-O 3.32Å; D242-K250 HydrophobicContact CB-CB 3.77Å; D242-K250 PolarHBondContact N-O 2.92Å; D242-K250 VanDerWaalsContact N-O 3.08Å; D242-K250 PolarHBondContact O-N 3.46Å; K250-V257 HydrophobicContact CD-CG1 4.41Å; K250-V257 VanDerWaalsContact CE-CG1 3.47Å; K250-V257 HydrophobicContact CG-CG1 4.14Å; K250-G258 WeakPolarHBondContact CA-O 3.17Å; K250-L259 HydrophobicContact CB-CD2 3.81Å; K250-L259 HydrophobicContact CG-CD2 4.19Å
251G89.6Confident85.3Confident0 Ų069.5 Ų69.50%036%0.362CS..EExtended strand (participates in β ladder)trans-142.2170.9176.800000113.4T239 V257 G258T239-G251 CarbonylContact O-C 3.55Å; T239-G251 WeakPolarHBondContact O-CA 3.35Å; G251-V257 WeakPolarHBondContact O-CA 3.3Å; G251-G258 PolarHBondContact N-O 2.94Å; G251-G258 PolarHBondContact O-N 3.03Å; G251-G258 VanDerWaalsContact O-N 3.13Å
252E89.9Confident85.5Confident95 Ų9566 Ų6644%0.44434%0.344SS..EExtended strand (participates in β ladder)trans-120.4128.4179.8-173.6172.9-16100109.8T239 L241 G256 V257T239-E252 PolarHBondContact N-O 3.14Å; T239-E252 PolarHBondContact O-N 3.43Å; L241-E252 HydrophobicContact CD1-CB 4Å; L241-E252 HydrophobicContact CG-CB 4.23Å; E252-G256 WeakPolarHBondContact CA-O 3.22Å; E252-V257 HydrophobicContact CB-CG2 3.91Å; E252-V257 HydrophobicContact CG-CG2 3.75Å
253T87.6Confident85.8Confident15 Ų1568.1 Ų68.19%0.09236%0.356CS..EExtended strand (participates in β ladder)trans-118-176.3167.863.30000109.9L230 F232 E236 I238 Q255 G256L230-T253 HydrophobicContact CD1-CG2 4.4Å; L230-T253 HydrophobicContact CD2-CG2 3.79Å; L230-T253 HydrophobicContact CG-CG2 4.27Å; F232-T253 HydrophobicContact CB-CG2 4.39Å; E236-T253 WeakPolarHBondContact OE1-CB 3.48Å; E236-T253 WeakPolarHBondContact OE1-CG2 3.38Å; I238-T253 HydrophobicContact CB-CG2 4.25Å; I238-T253 HydrophobicContact CG1-CG2 3.59Å; I238-T253 HydrophobicContact CG2-CG2 4.27Å; T253-Q255 PolarHBondContact O-N 2.91Å; T253-Q255 PolarHBondContact OG1-N 3.44Å; T253-G256 PolarHBondContact N-O 3.15Å; T253-G256 PolarHBondContact O-N 3.33Å
254Y78.5Confident85.9Confident175 Ų17567.6 Ų67.669%0.68635%0.35SS*.THydrogen-bonded Turntrans-65.5-17.517271.2-91000113.2E236E236-Y254 VanDerWaalsContact CD-CE1 3.44Å; E236-Y254 HydrophobicContact CG-CE1 4.41Å; E236-Y254 WeakPolarHBondContact OE1-CD1 3.36Å; E236-Y254 WeakPolarHBondContact OE1-CE1 3.44Å
255Q77.6Confident86.2Confident104 Ų10463.6 Ų63.649%0.48632%0.322SS..THydrogen-bonded Turntrans-88.4-20.4-178.9-61.4-167-3.800113.1T231 T253T231-Q255 PolarHBondContact O-OE1 2.92Å; T253-Q255 PolarHBondContact O-N 2.91Å; T253-Q255 PolarHBondContact OG1-N 3.44Å
256G81.9Confident86.3Confident30 Ų3060.6 Ų60.631%0.30931%0.307SS..EExtended strand (participates in β ladder)trans148.1-161.6179.400000112.9L230 E252 T253L230-G256 VanDerWaalsContact CD1-O 3.31Å; L230-G256 WeakPolarHBondContact CD1-O 3.04Å; E252-G256 WeakPolarHBondContact CA-O 3.22Å; T253-G256 PolarHBondContact N-O 3.15Å; T253-G256 PolarHBondContact O-N 3.33Å
257V88.3Confident86.5Confident73 Ų7359.7 Ų59.744%0.44231%0.308SS..EExtended strand (participates in β ladder)trans-118.1133179.4174.30000109L241 K250 G251 E252L241-V257 HydrophobicContact CD1-CB 4.4Å; L241-V257 HydrophobicContact CD1-CG1 3.59Å; L241-V257 HydrophobicContact CD1-CG2 3.86Å; K250-V257 HydrophobicContact CD-CG1 4.41Å; K250-V257 VanDerWaalsContact CE-CG1 3.47Å; K250-V257 HydrophobicContact CG-CG1 4.14Å; G251-V257 WeakPolarHBondContact O-CA 3.3Å; E252-V257 HydrophobicContact CB-CG2 3.91Å; E252-V257 HydrophobicContact CG-CG2 3.75Å
258G89.9Confident86.3Confident3 Ų358.4 Ų58.43%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-165.6177.2178.800000112.4N228 K250 G251N228-G258 WeakPolarHBondContact O-CA 3.26Å; K250-G258 WeakPolarHBondContact CA-O 3.17Å; G251-G258 PolarHBondContact N-O 2.94Å; G251-G258 PolarHBondContact O-N 3.03Å; G251-G258 VanDerWaalsContact O-N 3.13Å
259L89.4Confident85.5Confident59 Ų5957.9 Ų57.931%0.30931%0.305SS..EExtended strand (participates in β ladder)trans-89.3145.1176.3-66.7171.6000111.2N228 E229 L230 W248 W249 K250N228-L259 PolarHBondContact O-N 3.41Å; E229-L259 CarbonylContact C-O 3.48Å; E229-L259 VanDerWaalsContact CA-O 3.25Å; E229-L259 WeakPolarHBondContact CA-O 3.43Å; L230-L259 PolarHBondContact N-O 2.98Å; W248-L259 HydrophobicContact CE3-CB 3.87Å; W248-L259 HydrophobicContact CZ3-CB 4.3Å; W249-L259 CarbonylContact O-C 3.4Å; W249-L259 VanDerWaalsContact O-CA 3.31Å; W249-L259 WeakPolarHBondContact O-CA 3.47Å; K250-L259 HydrophobicContact CB-CD2 3.81Å; K250-L259 HydrophobicContact CG-CD2 4.19Å
260F91Very high84Confident0 Ų061 Ų610%033%0.33CS..EExtended strand (participates in β ladder)trans-149.9158.1174.865.2-87.1000112.2F222 L230 F232 I238 W248 W249 V265F222-F260 HydrophobicContact CD1-CB 4.13Å; F222-F260 HydrophobicContact CE1-CB 4.13Å; L230-F260 HydrophobicContact CB-CD1 4.47Å; L230-F260 HydrophobicContact CD2-CD1 3.97Å; L230-F260 HydrophobicContact CD2-CE1 4.41Å; F232-F260 HydrophobicContact CE1-CB 3.49Å; F232-F260 VanDerWaalsContact CE1-CB 3.49Å; F232-F260 HydrophobicContact CE1-CD1 4.38Å; F232-F260 AromaticContact CE1-CD2 3.98Å; F232-F260 HydrophobicContact CE1-CD2 3.98Å; F232-F260 AromaticContact CE1-CG 3.69Å; F232-F260 HydrophobicContact CE1-CG 3.69Å; F232-F260 HydrophobicContact CZ-CB 4.14Å; F232-F260 HydrophobicContact CZ-CD2 4.07Å; F232-F260 HydrophobicContact CZ-CG 4.25Å; I238-F260 HydrophobicContact CG2-CD1 4.5Å; I238-F260 HydrophobicContact CG2-CE1 3.71Å; I238-F260 HydrophobicContact CG2-CZ 3.96Å; W248-F260 CarbonylContact C-O 3.59Å; W248-F260 WeakPolarHBondContact CA-O 3.38Å; W249-F260 HydrophobicContact CB-CE1 4.16Å; W249-F260 HydrophobicContact CB-CE2 4.12Å; W249-F260 HydrophobicContact CB-CZ 3.82Å; W249-F260 HydrophobicContact CE3-CE2 4.38Å; W249-F260 HydrophobicContact CE3-CZ 4.43Å; W249-F260 PolarHBondContact N-O 3.42Å; W249-F260 VanDerWaalsContact O-CD1 3.31Å; W249-F260 WeakPolarHBondContact O-CD1 3.45Å; W249-F260 PolarHBondContact O-N 3.29Å; F260-V265 HydrophobicContact CD2-CG1 3.88Å; F260-V265 HydrophobicContact CE2-CB 4.18Å; F260-V265 HydrophobicContact CE2-CG1 3.37Å; F260-V265 HydrophobicContact CE2-CG2 3.7Å; F260-V265 HydrophobicContact CZ-CG1 4.19Å; F260-V265 HydrophobicContact CZ-CG2 4.48Å
261P88.6Confident82.4Confident21 Ų2158.6 Ų58.614%0.13633%0.327CS..EExtended strand (participates in β ladder)trans-70.3132.9-179.5-15.829.6000112.2F222 N247 N263 F264F222-P261 HydrophobicContact CD2-CG 4.28Å; F222-P261 HydrophobicContact CE2-CG 3.83Å; F222-P261 HydrophobicContact CZ-CG 4.17Å; N247-P261 VanDerWaalsContact O-CA 3.31Å; N247-P261 WeakPolarHBondContact O-CA 3.29Å; P261-N263 PolarHBondContact O-N 2.99Å; P261-F264 HydrophobicContact CB-CD2 3.77Å; P261-F264 HydrophobicContact CB-CE2 4.3Å; P261-F264 HydrophobicContact CB-CG 4.48Å; P261-F264 HydrophobicContact CG-CD2 4.05Å; P261-F264 HydrophobicContact CG-CE2 4.34Å; P261-F264 PolarHBondContact O-N 3.44Å
262S87.1Confident80.7Confident14 Ų1467.1 Ų67.110%0.09837%0.367CS..G310 helixtrans-59.4-29.5179.356.20000113.3P246 N247 W249 F264 V265P246-S262 PolarHBondContact O-OG 2.87Å; N247-S262 PolarHBondContact O-N 2.99Å; N247-S262 VanDerWaalsContact O-N 3.09Å; W249-S262 VanDerWaalsContact CE2-CB 3.46Å; S262-F264 PolarHBondContact O-N 3.26Å; S262-V265 VanDerWaalsContact O-CG2 3.3Å; S262-V265 WeakPolarHBondContact O-CG2 3.43Å; S262-V265 PolarHBondContact O-N 3.42Å
263N88Confident78.7Confident119 Ų11965.9 Ų65.964%0.63637%0.367SS*.G310 helixtrans-70.6-7.4177.7-66.9-28.4000114.6P261P261-N263 PolarHBondContact O-N 2.99Å
264F85.4Confident76.7Confident63 Ų6372.2 Ų72.228%0.27640%0.396SS..G310 helixtrans-96.33.2-178.9-81.6-118.7000112.5A218 I219 Y220 F222 F232 P261 S262A218-F264 CarbonylContact C-O 3.34Å; A218-F264 WeakPolarHBondContact CA-O 3.4Å; I219-F264 VanDerWaalsContact CG1-C 3.47Å; I219-F264 VanDerWaalsContact CG1-O 3.32Å; I219-F264 WeakPolarHBondContact CG1-O 3.41Å; I219-F264 PolarHBondContact N-O 3.09Å; Y220-F264 HydrophobicContact CD2-CD1 4.25Å; Y220-F264 HydrophobicContact CD2-CG 4.35Å; Y220-F264 HydrophobicContact CG-CD1 4.44Å; F222-F264 HydrophobicContact CB-CD1 3.98Å; F222-F264 HydrophobicContact CB-CE1 4.46Å; F222-F264 HydrophobicContact CD2-CD1 4.22Å; F222-F264 HydrophobicContact CD2-CE1 4.17Å; F222-F264 HydrophobicContact CG-CD1 4.45Å; F232-F264 HydrophobicContact CE2-CB 4.36Å; F232-F264 HydrophobicContact CZ-CB 4.04Å; P261-F264 HydrophobicContact CB-CD2 3.77Å; P261-F264 HydrophobicContact CB-CE2 4.3Å; P261-F264 HydrophobicContact CB-CG 4.48Å; P261-F264 HydrophobicContact CG-CD2 4.05Å; P261-F264 HydrophobicContact CG-CE2 4.34Å; P261-F264 PolarHBondContact O-N 3.44Å; S262-F264 PolarHBondContact O-N 3.26Å
265V87.2Confident74.8Confident15 Ų1571.8 Ų71.89%0.09140%0.402CS..EExtended strand (participates in β ladder)trans-133.1155-178.2-60.20000112.3V216 R217 F232 I238 W249 F260 S262V216-V265 HydrophobicContact CB-CB 3.97Å; V216-V265 HydrophobicContact CB-CG2 4.15Å; V216-V265 HydrophobicContact CG2-CB 3.75Å; V216-V265 HydrophobicContact CG2-CG1 3.99Å; V216-V265 HydrophobicContact CG2-CG2 3.86Å; R217-V265 CarbonylContact O-C 3.59Å; R217-V265 VanDerWaalsContact O-CA 3.22Å; R217-V265 WeakPolarHBondContact O-CA 3.48Å; F232-V265 HydrophobicContact CZ-CG1 4.31Å; I238-V265 HydrophobicContact CD1-CG1 3.63Å; W249-V265 HydrophobicContact CE3-CG2 3.92Å; W249-V265 HydrophobicContact CZ3-CG2 3.78Å; F260-V265 HydrophobicContact CD2-CG1 3.88Å; F260-V265 HydrophobicContact CE2-CB 4.18Å; F260-V265 HydrophobicContact CE2-CG1 3.37Å; F260-V265 HydrophobicContact CE2-CG2 3.7Å; F260-V265 HydrophobicContact CZ-CG1 4.19Å; F260-V265 HydrophobicContact CZ-CG2 4.48Å; S262-V265 VanDerWaalsContact O-CG2 3.3Å; S262-V265 WeakPolarHBondContact O-CG2 3.43Å; S262-V265 PolarHBondContact O-N 3.42Å
266T82.5Confident73Confident42 Ų4273.6 Ų73.626%0.25841%0.412SS..EExtended strand (participates in β ladder)trans-126.4148.1173.4-175.50000111.1V216 R217 I219 D268V216-T266 CarbonylContact C-O 3.56Å; V216-T266 VanDerWaalsContact CA-O 3.3Å; V216-T266 WeakPolarHBondContact CA-O 3.34Å; V216-T266 WeakPolarHBondContact CB-O 3.34Å; R217-T266 HydrophobicContact CB-CG2 4.39Å; R217-T266 PolarHBondContact N-O 3.17Å; R217-T266 PolarHBondContact O-N 2.97Å; I219-T266 HydrophobicContact CG2-CG2 3.48Å; I219-T266 VanDerWaalsContact CG2-CG2 3.48Å; T266-D268 HydrophobicContact CG2-CB 4.36Å; T266-D268 VanDerWaalsContact CG2-O 3.31Å; T266-D268 WeakPolarHBondContact CG2-O 3.05Å; T266-D268 PolarHBondContact OG1-N 3Å
267A81.9Confident70.9Confident79 Ų7981.7 Ų81.765%0.65344%0.439SS*.SBendtrans-74.9-14.1172.700000112.7L269A267-L269 PolarHBondContact O-N 3.16Å
268D77.9Confident68.2Low75 Ų7584.2 Ų84.240%0.40146%0.455SS..  trans-78.4116.2175.6-171.1-9.8000110.3R217 T266 T270 A271R217-D268 PolarHBondContact NE-O 3.38Å; R217-D268 PolarHBondContact NH2-O 2.95Å; T266-D268 HydrophobicContact CG2-CB 4.36Å; T266-D268 VanDerWaalsContact CG2-O 3.31Å; T266-D268 WeakPolarHBondContact CG2-O 3.05Å; T266-D268 PolarHBondContact OG1-N 3Å; D268-T270 VanDerWaalsContact C-N 3.33Å; D268-T270 WeakPolarHBondContact OD1-CA 3.45Å; D268-T270 WeakPolarHBondContact OD1-CB 3.41Å; D268-T270 PolarHBondContact OD1-N 3.05Å; D268-T270 PolarHBondContact OD1-OG1 3.2Å; D268-A271 HydrophobicContact CB-CB 4.44Å; D268-A271 PolarHBondContact OD1-N 2.69Å
269L72.8Confident65.6Low91 Ų9193 Ų9348%0.47650%0.495SS..SBendtrans-89.14.2178.3-59.3176000113.1K215 R217 I237 A267K215-L269 HydrophobicContact CB-CD1 4.46Å; K215-L269 HydrophobicContact CB-CD2 4.41Å; R217-L269 HydrophobicContact CB-CD2 4.28Å; R217-L269 PolarHBondContact NH1-O 3.01Å; R217-L269 PolarHBondContact NH2-O 3.19Å; I237-L269 HydrophobicContact CD1-CD2 3.79Å; A267-L269 PolarHBondContact O-N 3.16Å
270T59.7Low63Low118 Ų11899.3 Ų99.372%0.72452%0.52SS*.SBendtrans-107.9-34.7177.65.10000116.8D268 E272D268-T270 VanDerWaalsContact C-N 3.33Å; D268-T270 WeakPolarHBondContact OD1-CA 3.45Å; D268-T270 WeakPolarHBondContact OD1-CB 3.41Å; D268-T270 PolarHBondContact OD1-N 3.05Å; D268-T270 PolarHBondContact OD1-OG1 3.2Å; T270-E272 PolarHBondContact O-N 3.17Å
271A55Low60.6Low39 Ų39109.3 Ų109.332%0.32256%0.563SS.*  trans-33.1120.7167.500000116.8R217 D268R217-A271 PolarHBondContact NH1-O 3.35Å; R217-A271 VanDerWaalsContact NH2-CA 3.29Å; R217-A271 PolarHBondContact NH2-O 2.83Å; D268-A271 HydrophobicContact CB-CB 4.44Å; D268-A271 PolarHBondContact OD1-N 2.69Å
272E54.1Low57.7Low180 Ų180114.8 Ų114.884%0.84160%0.597SS**  trans-76.5145.1170.5-65.7-176.1110.600110.3T270 E274T270-E272 PolarHBondContact O-N 3.17Å; E272-E274 PolarHBondContact O-N 3.47Å
273P48.9Very low55.3Low68 Ų68119.7 Ų119.744%0.44263%0.626SS.*  trans-70.3118.7-175.826.7-32.5000111.8M275P273-M275 PolarHBondContact O-N 2.92Å; P273-M275 VanDerWaalsContact O-N 3.09Å
274E46Very low52.7Low148 Ų148123 Ų12369%0.69264%0.637SS**  trans-66.7103.2164.7-86.5-150.3129.300109.6E272 M276E272-E274 PolarHBondContact O-N 3.47Å; E274-M276 PolarHBondContact O-N 2.94Å
275M38.3Very low50.1Low167 Ų167128.5 Ų128.582%0.82366%0.661SS**  trans-75.190168.4-70.7-174.4174.600109.9P273 K277P273-M275 PolarHBondContact O-N 2.92Å; P273-M275 VanDerWaalsContact O-N 3.09Å; M275-K277 PolarHBondContact O-N 2.86Å; M275-K277 VanDerWaalsContact O-N 3.1Å
276M40.1Very low47.6Very low142 Ų142132.5 Ų132.570%0.769%0.69SS**  trans-65.5106.5163.8-88.4172.317200110E274 T278E274-M276 PolarHBondContact O-N 2.94Å; M276-T278 PolarHBondContact O-N 2.9Å; M276-T278 VanDerWaalsContact O-N 3.14Å
277K37Very low45.4Very low200 Ų200138.4 Ų138.487%0.8772%0.715SS**  trans-63.6109.3173.5-73.2175.4177.2171.80109.9M275 E279M275-K277 PolarHBondContact O-N 2.86Å; M275-K277 VanDerWaalsContact O-N 3.1Å; K277-E279 PolarHBondContact O-N 3.31Å
278T31.5Very low43.2Very low125 Ų125142.2 Ų142.277%0.76772%0.724SS**  trans-66125.8163.5-59.40000109.5M276 K280M276-T278 PolarHBondContact O-N 2.9Å; M276-T278 VanDerWaalsContact O-N 3.14Å; T278-K280 PolarHBondContact O-N 3.3Å; T278-K280 VanDerWaalsContact O-N 3.13Å
279E35.6Very low41.2Very low189 Ų189146 Ų14688%0.88374%0.743SS**  trans-57.5110.6175.8-65.5-174.6119.400112K277K277-E279 PolarHBondContact O-N 3.31Å
280K33.7Very low39.1Very low191 Ų191148.5 Ų148.583%0.8375%0.752SS**  trans-135.9109.4153.4-70.3-173.2-178.3168.70109.4T278 T282T278-K280 PolarHBondContact O-N 3.3Å; T278-K280 VanDerWaalsContact O-N 3.13Å; K280-T282 PolarHBondContact O-N 2.92Å
281K40.7Very low37.9Very low209 Ų209149.2 Ų149.291%0.90976%0.756SS**  trans-40.2117.7168.2-109.5171.8174.5165.90111.8
282T28.3Very low36.9Very low137 Ų137154.4 Ų154.484%0.8477%0.773SS**  trans-158.8129.9140.5-83.20000109.3K280K280-T282 PolarHBondContact O-N 2.92Å
283V37.8Very low35.9Very low116 Ų116151.5 Ų151.570%0.70377%0.768SS**  trans-73.1127-177.21760000109.8F285V283-F285 HydrophobicContact CG1-CD2 4.44Å
284Q33.3Very low35.6Very low189 Ų189155.1 Ų155.188%0.88378%0.783SS**  trans-155.5137.9143.4-145.3134.2-5.700112.6
285F29.1Very low35.6Very low178 Ų178156.8 Ų156.878%0.78179%0.79SS**  trans-71.9153.8-168-96.6-107.3000115.6V283V283-F285 HydrophobicContact CG1-CD2 4.44Å
286S35.8Very low35.8Very low100 Ų100154.1 Ų154.170%0.69979%0.785SS**  trans87.9141.5146.8-58.90000117.5
287E36.9Very low36.1Very low166 Ų166156.2 Ų156.278%0.77679%0.794SS**  cis-177.9104.3-16.8176.9164-170.200103.1
288D35.3Very low36.5Very low158 Ų158155 Ų15585%0.84579%0.791SS**  trans-152138.1162.3-96-52.4000109Q290D288-Q290 PolarHBondContact O-N 3.24Å
289I35Very low37.7Very low156 Ų156156.4 Ų156.480%0.879%0.789SS**  trans-74.6122.3-145.8-69145.9000111.9
290Q28.6Very low38.8Very low143 Ų143152.7 Ų152.767%0.66878%0.781SS**  trans-72.6126169.7-57.7-176.832.600110D288 E292D288-Q290 PolarHBondContact O-N 3.24Å; Q290-E292 VanDerWaalsContact C-N 3.3Å; Q290-E292 HydrophobicContact CB-CB 4.27Å; Q290-E292 PolarHBondContact OE1-OE2 2.88Å
291V34.2Very low40.6Very low132 Ų132146.6 Ų146.680%0.876%0.759SS**  trans-9779.5144.3-178.80000105.2T293V291-T293 VanDerWaalsContact C-N 3.3Å; V291-T293 PolarHBondContact O-N 2.89Å
292E35.1Very low42.5Very low148 Ų148142.7 Ų142.769%0.69274%0.74SS**  trans-61.396.3167.1-161.7169-163.800106Q290 I294Q290-E292 VanDerWaalsContact C-N 3.3Å; Q290-E292 HydrophobicContact CB-CB 4.27Å; Q290-E292 PolarHBondContact OE1-OE2 2.88Å; E292-I294 VanDerWaalsContact C-N 3.3Å; E292-I294 PolarHBondContact O-N 3.03Å
293T32.6Very low45.2Very low120 Ų120139.3 Ų139.374%0.73672%0.716SS**  trans-68.6102.8166.6-55.40000104.3V291 E295V291-T293 VanDerWaalsContact C-N 3.3Å; V291-T293 PolarHBondContact O-N 2.89Å; T293-E295 PolarHBondContact O-N 3.4Å
294I42.2Very low47.6Very low144 Ų144135 Ų13574%0.73869%0.689SS**  trans-43.2106.2172.3-62.6149.8000107.2E292 P296E292-I294 VanDerWaalsContact C-N 3.3Å; E292-I294 PolarHBondContact O-N 3.03Å; I294-P296 WeakPolarHBondContact O-CD 3.4Å
295E45.9Very low50.2Low183 Ų183132.9 Ų132.986%0.85568%0.679SS**  trans-62.2113.8163.6-82.2-176.4155.700105.7T293 E297T293-E295 PolarHBondContact O-N 3.4Å; E295-E297 PolarHBondContact O-N 3.28Å
296P42.9Very low53Low110 Ų110129.7 Ų129.771%0.71467%0.67SS**  trans-62.3128.317326.6-30.2000107.2I294 Q298I294-P296 WeakPolarHBondContact O-CD 3.4Å; P296-Q298 PolarHBondContact O-N 3.31Å; P296-Q298 VanDerWaalsContact O-N 3.11Å
297E45.8Very low55.5Low187 Ų187127.9 Ų127.987%0.87465%0.65SS**  trans-33.5116.7165.9-163.9174.8-167.900109.2E295 E299E295-E297 PolarHBondContact O-N 3.28Å; E297-E299 PolarHBondContact O-N 2.91Å
298Q47Very low57.9Low175 Ų175122.6 Ų122.682%0.81863%0.626SS**  trans-53.2108.9-175.3-76.4-177.9-32.600109P296P296-Q298 PolarHBondContact O-N 3.31Å; P296-Q298 VanDerWaalsContact O-N 3.11Å
299E56.4Low60.5Low154 Ų154119.9 Ų119.972%0.7261%0.611SS**  trans-54.2135.7170-80.3-174.2157.600107.9E297 V301E297-E299 PolarHBondContact O-N 2.91Å; E299-V301 PolarHBondContact O-N 3.01Å
300P58.5Low63Low111 Ų111117.4 Ų117.472%0.72160%0.596SS**  trans-56.9115.9179.923.1-32.4000108.5Y302P300-Y302 WeakPolarHBondContact O-CD1 3.36Å; P300-Y302 PolarHBondContact O-N 3.16Å; P300-Y302 VanDerWaalsContact O-N 3.15Å
301V71.9Confident65.9Low62 Ų62111.5 Ų111.538%0.37657%0.569SS.*  trans-60.3120.5178.1-177.70000107.6E299 Q339 M340 L343E299-V301 PolarHBondContact O-N 3.01Å; V301-Q339 HydrophobicContact CG1-CB 4.08Å; V301-Q339 HydrophobicContact CG2-CB 4.3Å; V301-M340 HydrophobicContact CG1-CG 3.82Å; V301-L343 HydrophobicContact CB-CD1 4.18Å; V301-L343 HydrophobicContact CG1-CD1 4.01Å; V301-L343 WeakPolarHBondContact O-CD1 3.47Å
302Y80.3Confident68.5Low128 Ų128109.3 Ų109.350%0.50255%0.553SS.*  trans-112.7152.717353-90.4000108.8P300 D304 K307P300-Y302 WeakPolarHBondContact O-CD1 3.36Å; P300-Y302 PolarHBondContact O-N 3.16Å; P300-Y302 VanDerWaalsContact O-N 3.15Å; Y302-D304 HydrophobicContact CD2-CB 3.9Å; Y302-D304 HydrophobicContact CE2-CB 3.72Å; Y302-D304 WeakPolarHBondContact CE2-OD2 3.45Å; Y302-D304 PolarHBondContact O-N 3.49Å; Y302-K307 PolarHBondContact OH-NZ 2.87Å
303I85.1Confident71Confident65 Ų65107.9 Ų107.933%0.33355%0.546SS..  trans-69.3116.7173.3-56.6170.7000107.2M308 L343 I344 K347I303-M308 HydrophobicContact CG2-CE 4.23Å; I303-L343 HydrophobicContact CD1-CB 4.14Å; I303-L343 HydrophobicContact CG1-CB 3.96Å; I303-I344 HydrophobicContact CD1-CG1 3.79Å; I303-I344 HydrophobicContact CG1-CG1 3.98Å; I303-I344 HydrophobicContact CG2-CD1 4.44Å; I303-I344 HydrophobicContact CG2-CG1 4.09Å; I303-K347 HydrophobicContact CD1-CG 3.83Å
304D87.6Confident73.4Confident27 Ų27104.6 Ų104.614%0.14452%0.523CS..  trans-122.6108.2-177.5-169.7-21.7000108.6Y302 D306 K307 M340Y302-D304 HydrophobicContact CD2-CB 3.9Å; Y302-D304 HydrophobicContact CE2-CB 3.72Å; Y302-D304 WeakPolarHBondContact CE2-OD2 3.45Å; Y302-D304 PolarHBondContact O-N 3.49Å; D304-D306 PolarHBondContact OD1-N 3.38Å; D304-K307 HydrophobicContact CB-CB 4.28Å; D304-K307 HydrophobicContact CB-CD 4.08Å; D304-K307 HydrophobicContact CB-CG 4.17Å; D304-K307 WeakPolarHBondContact OD2-CE 3.02Å; D304-K307 IonicContact OD2-NZ 2.82Å; D304-K307 PolarHBondContact OD2-NZ 3.45Å; D304-M340 HydrophobicContact CB-SD 4.05Å; D304-M340 PolarHBondContact N-SD 3.29Å
305E88.5Confident75.4Confident143 Ų143102.3 Ų102.367%0.66851%0.511SS*.Hα-helixtrans-66.5-38.8-177.5-65.2178.8-172.500111.3K307 M308 D309E305-K307 VanDerWaalsContact C-N 3.28Å; E305-K307 PolarHBondContact O-N 3.03Å; E305-M308 HydrophobicContact CG-CE 4.29Å; E305-M308 PolarHBondContact O-N 2.91Å; E305-M308 VanDerWaalsContact O-N 3.14Å; E305-D309 PolarHBondContact O-N 3.25Å
306D88.3Confident77.3Confident112 Ų112100.4 Ų100.460%0.59950%0.502SS*.Hα-helixtrans-63.9-33.6-177.6-69.5-69.5000112D304 Q310D304-D306 PolarHBondContact OD1-N 3.38Å; D306-Q310 WeakPolarHBondContact O-CB 3.39Å; D306-Q310 VanDerWaalsContact O-CG 3.31Å; D306-Q310 WeakPolarHBondContact O-CG 3.39Å; D306-Q310 PolarHBondContact O-N 3.12Å
307K87Confident79.2Confident61 Ų6199.2 Ų99.227%0.26550%0.497SS..Hα-helixtrans-69.7-37.8176.3-72.8-175.5-177.2112.50112.5Y302 D304 E305 L311 L333 M340Y302-K307 PolarHBondContact OH-NZ 2.87Å; D304-K307 HydrophobicContact CB-CB 4.28Å; D304-K307 HydrophobicContact CB-CD 4.08Å; D304-K307 HydrophobicContact CB-CG 4.17Å; D304-K307 WeakPolarHBondContact OD2-CE 3.02Å; D304-K307 IonicContact OD2-NZ 2.82Å; D304-K307 PolarHBondContact OD2-NZ 3.45Å; E305-K307 VanDerWaalsContact C-N 3.28Å; E305-K307 PolarHBondContact O-N 3.03Å; K307-L311 PolarHBondContact O-N 3.24Å; K307-L333 HydrophobicContact CB-CD2 4.27Å; K307-L333 HydrophobicContact CG-CD2 4.35Å; K307-M340 HydrophobicContact CB-CE 4.36Å
308M88.1Confident80.8Confident55 Ų5593.3 Ų93.327%0.27148%0.48SS..Hα-helixtrans-67.4-41.9175.2-66.4-173.7-73.400110.7I303 E305 L311 L312 M340 I344I303-M308 HydrophobicContact CG2-CE 4.23Å; E305-M308 HydrophobicContact CG-CE 4.29Å; E305-M308 PolarHBondContact O-N 2.91Å; E305-M308 VanDerWaalsContact O-N 3.14Å; M308-L311 PolarHBondContact O-N 3.04Å; M308-L312 WeakPolarHBondContact O-CB 3.43Å; M308-L312 WeakPolarHBondContact O-CG 3.18Å; M308-L312 PolarHBondContact O-N 3.4Å; M308-M340 HydrophobicContact CG-CE 3.66Å; M308-M340 HydrophobicContact SD-CE 4.35Å; M308-I344 HydrophobicContact SD-CD1 4.06Å
309D90.1Very high82.2Confident101 Ų10189.5 Ų89.554%0.5447%0.465SS..Hα-helixtrans-65.5-38.8176.9-75-19.2000112.2E305 L312 Q313E305-D309 PolarHBondContact O-N 3.25Å; D309-L312 PolarHBondContact O-N 2.89Å; D309-Q313 VanDerWaalsContact O-CB 3.29Å; D309-Q313 WeakPolarHBondContact O-CB 3.15Å; D309-Q313 PolarHBondContact O-N 3.46Å
310Q87.8Confident82.9Confident104 Ų10488.4 Ų88.449%0.48647%0.471SS..Hα-helixtrans-63.7-43.9173.4-78.6176.53400112.3D306 Q313 M314 L333D306-Q310 WeakPolarHBondContact O-CB 3.39Å; D306-Q310 VanDerWaalsContact O-CG 3.31Å; D306-Q310 WeakPolarHBondContact O-CG 3.39Å; D306-Q310 PolarHBondContact O-N 3.12Å; Q310-Q313 PolarHBondContact O-N 3.26Å; Q310-M314 WeakPolarHBondContact O-CG 3.29Å; Q310-M314 PolarHBondContact O-N 3.26Å; Q310-L333 HydrophobicContact CB-CD1 4.27Å
311L88.4Confident83.7Confident19 Ų1988.9 Ų88.910%0.09947%0.472CS..Hα-helixtrans-60.3-47.3175.3179.162.1000110.9K307 M308 Q313 M314 I315 L330 L333 E334 C337K307-L311 PolarHBondContact O-N 3.24Å; M308-L311 PolarHBondContact O-N 3.04Å; L311-Q313 VanDerWaalsContact C-N 3.31Å; L311-Q313 PolarHBondContact O-N 2.95Å; L311-M314 PolarHBondContact O-N 3.49Å; L311-I315 HydrophobicContact CD1-CD1 3.95Å; L311-I315 HydrophobicContact CD1-CG1 4.27Å; L311-I315 HydrophobicContact CG-CD1 3.84Å; L311-I315 VanDerWaalsContact O-CG1 3.29Å; L311-I315 WeakPolarHBondContact O-CG1 3.44Å; L311-I315 PolarHBondContact O-N 3.49Å; L311-L330 HydrophobicContact CD1-CD1 3.59Å; L311-L330 HydrophobicContact CD1-CG 4.35Å; L311-L333 HydrophobicContact CB-CB 4.26Å; L311-L333 HydrophobicContact CD1-CB 4.03Å; L311-E334 HydrophobicContact CD1-CB 4.34Å; L311-E334 HydrophobicContact CD2-CB 4.48Å; L311-C337 HydrophobicContact CD2-CB 3.8Å; L311-C337 WeakPolarHBondContact CD2-SG 3.41Å
312L88.1Confident83.8Confident87 Ų8790.8 Ų90.846%0.45548%0.48SS..Hα-helixtrans-59.7-41.7176.7-75.3170.4000111.9M308 D309 I315 Q316M308-L312 WeakPolarHBondContact O-CB 3.43Å; M308-L312 WeakPolarHBondContact O-CG 3.18Å; M308-L312 PolarHBondContact O-N 3.4Å; D309-L312 PolarHBondContact O-N 2.89Å; L312-I315 PolarHBondContact O-N 3.29Å; L312-Q316 WeakPolarHBondContact O-CB 3.3Å; L312-Q316 WeakPolarHBondContact O-CG 3.46Å; L312-Q316 PolarHBondContact O-N 3.12Å
313Q88.2Confident83.1Confident118 Ų11892.6 Ų92.655%0.55150%0.499SS*.Hα-helixtrans-65.1-40.1177.5-175.962.244.900112.1D309 Q310 L311 S317D309-Q313 VanDerWaalsContact O-CB 3.29Å; D309-Q313 WeakPolarHBondContact O-CB 3.15Å; D309-Q313 PolarHBondContact O-N 3.46Å; Q310-Q313 PolarHBondContact O-N 3.26Å; L311-Q313 VanDerWaalsContact C-N 3.31Å; L311-Q313 PolarHBondContact O-N 2.95Å; Q313-S317 WeakPolarHBondContact O-CB 3.29Å; Q313-S317 PolarHBondContact O-N 2.82Å; Q313-S317 VanDerWaalsContact O-N 3.12Å; Q313-S317 PolarHBondContact O-OG 3.33Å
314M82.8Confident82.3Confident50 Ų5096.8 Ų96.825%0.24652%0.517CS..Hα-helixtrans-68.1-40.7176-71.6-175.678.500111.6Q310 L311 S317 A318 E329 L330 L333Q310-M314 WeakPolarHBondContact O-CG 3.29Å; Q310-M314 PolarHBondContact O-N 3.26Å; L311-M314 PolarHBondContact O-N 3.49Å; M314-S317 PolarHBondContact O-N 3.48Å; M314-S317 PolarHBondContact O-OG 3.03Å; M314-A318 PolarHBondContact O-N 2.99Å; M314-E329 HydrophobicContact CE-CB 4.26Å; M314-E329 HydrophobicContact CE-CG 4.17Å; M314-E329 HydrophobicContact SD-CG 4.22Å; M314-L330 HydrophobicContact CB-CD1 3.75Å; M314-L330 HydrophobicContact CE-CB 4.35Å; M314-L333 HydrophobicContact SD-CD1 3.69Å
315I85.7Confident81.5Confident96 Ų96101 Ų10149%0.49255%0.548SS..Hα-helixtrans-65.1-43.1175.4-67.4170.1000111.2L311 L312 S317 A318 L330L311-I315 HydrophobicContact CD1-CD1 3.95Å; L311-I315 HydrophobicContact CD1-CG1 4.27Å; L311-I315 HydrophobicContact CG-CD1 3.84Å; L311-I315 VanDerWaalsContact O-CG1 3.29Å; L311-I315 WeakPolarHBondContact O-CG1 3.44Å; L311-I315 PolarHBondContact O-N 3.49Å; L312-I315 PolarHBondContact O-N 3.29Å; I315-S317 VanDerWaalsContact C-N 3.28Å; I315-S317 PolarHBondContact O-N 3Å; I315-A318 WeakPolarHBondContact O-CB 3.43Å; I315-A318 PolarHBondContact O-N 3.3Å; I315-L330 HydrophobicContact CG1-CD1 4.08Å
316Q84.4Confident81.1Confident144 Ų14499.3 Ų99.367%0.67354%0.544SS*.Hα-helixtrans-69.2-24.9-179.5-75.5175.115.900113.8L312L312-Q316 WeakPolarHBondContact O-CB 3.3Å; L312-Q316 WeakPolarHBondContact O-CG 3.46Å; L312-Q316 PolarHBondContact O-N 3.12Å
317S82.6Confident80.7Confident85 Ų8596.6 Ų96.659%0.59453%0.534SS*.Hα-helixtrans-93.5-4.5178.156.40000113.7Q313 M314 I315Q313-S317 WeakPolarHBondContact O-CB 3.29Å; Q313-S317 PolarHBondContact O-N 2.82Å; Q313-S317 VanDerWaalsContact O-N 3.12Å; Q313-S317 PolarHBondContact O-OG 3.33Å; M314-S317 PolarHBondContact O-N 3.48Å; M314-S317 PolarHBondContact O-OG 3.03Å; I315-S317 VanDerWaalsContact C-N 3.28Å; I315-S317 PolarHBondContact O-N 3Å
318A80.8Confident80.4Confident63 Ų6398.5 Ų98.552%0.52155%0.551SS.*  trans-71.3133175.700000111.2M314 I315 P320M314-A318 PolarHBondContact O-N 2.99Å; I315-A318 WeakPolarHBondContact O-CB 3.43Å; I315-A318 PolarHBondContact O-N 3.3Å; A318-P320 WeakPolarHBondContact O-CD 3.35Å
319D76.2Confident80.2Confident95 Ų95101.3 Ų101.351%0.50856%0.563SS.*  trans-84.6115174-176-14.2000109.4T321 D322D319-T321 PolarHBondContact O-N 3.02Å; D319-T321 VanDerWaalsContact O-N 3.11Å; D319-T321 PolarHBondContact OD1-N 2.65Å; D319-T321 PolarHBondContact OD1-OG1 3.38Å; D319-T321 PolarHBondContact OD2-OG1 3.48Å; D319-D322 HydrophobicContact CB-CB 4.23Å; D319-D322 WeakPolarHBondContact O-CB 3.45Å; D319-D322 PolarHBondContact O-N 3.34Å; D319-D322 VanDerWaalsContact O-N 3.09Å
320P70.2Confident79.9Confident130 Ų13097.7 Ų97.784%0.84454%0.543SS*.THydrogen-bonded Turntrans-69.5-6.4-178.429.6-36.1000113.9A318A318-P320 WeakPolarHBondContact O-CD 3.35Å
321T75.2Confident79.7Confident122 Ų12297 Ų9775%0.74854%0.543SS*.THydrogen-bonded Turntrans-96.5-6.517461.60000113.6D319D319-T321 PolarHBondContact O-N 3.02Å; D319-T321 VanDerWaalsContact O-N 3.11Å; D319-T321 PolarHBondContact OD1-N 2.65Å; D319-T321 PolarHBondContact OD1-OG1 3.38Å; D319-T321 PolarHBondContact OD2-OG1 3.48Å
322D73.6Confident79.6Confident102 Ų102102.5 Ų102.555%0.54557%0.568SS.*  trans-78.6132.6175.6-163.528.9000110.3D319 Q324D319-D322 HydrophobicContact CB-CB 4.23Å; D319-D322 WeakPolarHBondContact O-CB 3.45Å; D319-D322 PolarHBondContact O-N 3.34Å; D319-D322 VanDerWaalsContact O-N 3.09Å; D322-Q324 VanDerWaalsContact C-N 3.34Å; D322-Q324 WeakPolarHBondContact OD2-CB 3.38Å; D322-Q324 WeakPolarHBondContact OD2-CG 3.4Å
323N66.6Low79.5Confident165 Ų16599.2 Ų99.288%0.88255%0.551SS**  trans-102.922.1-175.4-152.668.4000111.2
324Q69.3Low79.5Confident153 Ų15398 Ų9872%0.71555%0.545SS*.PPolyproline II helixtrans-79.9145.9174.5-68.5-114.616.500110D322D322-Q324 VanDerWaalsContact C-N 3.34Å; D322-Q324 WeakPolarHBondContact OD2-CB 3.38Å; D322-Q324 WeakPolarHBondContact OD2-CG 3.4Å
325S70.6Confident79.6Confident116 Ų11696.9 Ų96.981%0.81155%0.546SS*.PPolyproline II helixtrans-66.9147.8174.5-44.50000110.5S327S325-S327 PolarHBondContact O-N 3.39Å
326D78.4Confident79.7Confident107 Ų10793.6 Ų93.657%0.57253%0.533SS*.PPolyproline II helixtrans-54.7139.9178-66.2-38.6000111.9L330 L331D326-L330 HydrophobicContact CB-CD2 4.09Å; D326-L331 HydrophobicContact CB-CG 4.33Å
327S80.3Confident79.9Confident56 Ų5688 Ų8839%0.39251%0.51SS..PPolyproline II helixtrans-64.1145.2176.671.10000110.9S325 E329 L330 L331S325-S327 PolarHBondContact O-N 3.39Å; S327-E329 PolarHBondContact O-N 3.5Å; S327-L330 WeakPolarHBondContact O-CB 3.22Å; S327-L330 PolarHBondContact O-N 3.31Å; S327-L330 WeakPolarHBondContact OG-CB 3.29Å; S327-L330 PolarHBondContact OG-N 2.98Å; S327-L331 PolarHBondContact O-N 3.14Å
328V80.8Confident80.1Confident101 Ų10189 Ų8961%0.61251%0.509SS*.Hα-helixtrans-58.6-31.4177.9178.30000111.7L331 Q332V328-L331 PolarHBondContact O-N 2.84Å; V328-Q332 HydrophobicContact CG1-CG 4.5Å; V328-Q332 VanDerWaalsContact O-CG 3.29Å; V328-Q332 WeakPolarHBondContact O-CG 3.46Å; V328-Q332 PolarHBondContact O-N 3.19Å
329E84Confident80.5Confident114 Ų11490.9 Ų90.953%0.53351%0.507SS..Hα-helixtrans-66.5-41176.3-174.5172.3-167.900112.2M314 S327 Q332 L333M314-E329 HydrophobicContact CE-CB 4.26Å; M314-E329 HydrophobicContact CE-CG 4.17Å; M314-E329 HydrophobicContact SD-CG 4.22Å; S327-E329 PolarHBondContact O-N 3.5Å; E329-Q332 PolarHBondContact O-N 3.01Å; E329-L333 HydrophobicContact CG-CD1 4.34Å; E329-L333 WeakPolarHBondContact O-CB 3.42Å; E329-L333 WeakPolarHBondContact O-CG 3.45Å; E329-L333 PolarHBondContact O-N 2.73Å
330L83.8Confident81.1Confident25 Ų2586.5 Ų86.513%0.13148%0.483CS..Hα-helixtrans-61.7-46.2175.1-172.975.2000111.2L311 M314 I315 D326 S327 Q332 L333 E334L311-L330 HydrophobicContact CD1-CD1 3.59Å; L311-L330 HydrophobicContact CD1-CG 4.35Å; M314-L330 HydrophobicContact CB-CD1 3.75Å; M314-L330 HydrophobicContact CE-CB 4.35Å; I315-L330 HydrophobicContact CG1-CD1 4.08Å; D326-L330 HydrophobicContact CB-CD2 4.09Å; S327-L330 WeakPolarHBondContact O-CB 3.22Å; S327-L330 PolarHBondContact O-N 3.31Å; S327-L330 WeakPolarHBondContact OG-CB 3.29Å; S327-L330 PolarHBondContact OG-N 2.98Å; L330-Q332 VanDerWaalsContact C-N 3.33Å; L330-Q332 PolarHBondContact O-N 2.88Å; L330-L333 PolarHBondContact O-N 3.26Å; L330-E334 VanDerWaalsContact O-CB 3.31Å; L330-E334 WeakPolarHBondContact O-CB 3.28Å; L330-E334 PolarHBondContact O-N 3.45Å
331L83.4Confident82Confident89 Ų8981.3 Ų81.347%0.46645%0.454SS..Hα-helixtrans-64.3-36.2178.8-68.9169.1000112.3D326 S327 V328 G335D326-L331 HydrophobicContact CB-CG 4.33Å; S327-L331 PolarHBondContact O-N 3.14Å; V328-L331 PolarHBondContact O-N 2.84Å; L331-G335 PolarHBondContact O-N 2.98Å
332Q85.9Confident82.8Confident135 Ų13579.6 Ų79.663%0.63144%0.444SS*.Hα-helixtrans-69.1-43.4175.3-75.3175.34.400112V328 E329 L330 G335 A336V328-Q332 HydrophobicContact CG1-CG 4.5Å; V328-Q332 VanDerWaalsContact O-CG 3.29Å; V328-Q332 WeakPolarHBondContact O-CG 3.46Å; V328-Q332 PolarHBondContact O-N 3.19Å; E329-Q332 PolarHBondContact O-N 3.01Å; L330-Q332 VanDerWaalsContact C-N 3.33Å; L330-Q332 PolarHBondContact O-N 2.88Å; Q332-G335 PolarHBondContact O-N 3.33Å; Q332-A336 WeakPolarHBondContact O-CB 3.48Å; Q332-A336 PolarHBondContact O-N 3.35Å
333L86.2Confident83.6Confident18 Ų1877.3 Ų77.39%0.09443%0.432CS..Hα-helixtrans-66.4-40.1176.8-77.4171.4000112K307 Q310 L311 M314 E329 L330 A336 C337K307-L333 HydrophobicContact CB-CD2 4.27Å; K307-L333 HydrophobicContact CG-CD2 4.35Å; Q310-L333 HydrophobicContact CB-CD1 4.27Å; L311-L333 HydrophobicContact CB-CB 4.26Å; L311-L333 HydrophobicContact CD1-CB 4.03Å; M314-L333 HydrophobicContact SD-CD1 3.69Å; E329-L333 HydrophobicContact CG-CD1 4.34Å; E329-L333 WeakPolarHBondContact O-CB 3.42Å; E329-L333 WeakPolarHBondContact O-CG 3.45Å; E329-L333 PolarHBondContact O-N 2.73Å; L330-L333 PolarHBondContact O-N 3.26Å; L333-A336 PolarHBondContact O-N 3.05Å; L333-C337 WeakPolarHBondContact O-CB 3.38Å; L333-C337 PolarHBondContact O-N 3.21Å; L333-C337 PolarHBondContact O-SG 2.92Å
334E88.1Confident84.8Confident91 Ų9171.9 Ų71.943%0.42540%0.402SS..Hα-helixtrans-61.5-46.8172.6-178.9-178-167.100111.1L311 L330 A336 C337 N338L311-E334 HydrophobicContact CD1-CB 4.34Å; L311-E334 HydrophobicContact CD2-CB 4.48Å; L330-E334 VanDerWaalsContact O-CB 3.31Å; L330-E334 WeakPolarHBondContact O-CB 3.28Å; L330-E334 PolarHBondContact O-N 3.45Å; E334-A336 VanDerWaalsContact C-N 3.29Å; E334-A336 PolarHBondContact O-N 3.19Å; E334-C337 PolarHBondContact O-N 3.36Å; E334-N338 WeakPolarHBondContact O-CB 3.44Å; E334-N338 PolarHBondContact O-N 3.5Å; E334-N338 PolarHBondContact O-ND2 2.97Å; E334-N338 VanDerWaalsContact O-ND2 3.08Å
335G86Confident85.9Confident27 Ų2769.6 Ų69.628%0.27840%0.395SS..Hα-helixtrans-59.9-38.5175.300000112.7L331 Q332 Q339L331-G335 PolarHBondContact O-N 2.98Å; Q332-G335 PolarHBondContact O-N 3.33Å; G335-Q339 VanDerWaalsContact O-CG 3.31Å; G335-Q339 WeakPolarHBondContact O-CG 3.44Å; G335-Q339 PolarHBondContact O-N 3.19Å; G335-Q339 PolarHBondContact O-NE2 3.13Å
336A86.6Confident87Confident27 Ų2769.4 Ų69.422%0.22338%0.381CS..Hα-helixtrans-68.3-43.1174.900000112Q332 L333 E334 N338 Q339 M340Q332-A336 WeakPolarHBondContact O-CB 3.48Å; Q332-A336 PolarHBondContact O-N 3.35Å; L333-A336 PolarHBondContact O-N 3.05Å; E334-A336 VanDerWaalsContact C-N 3.29Å; E334-A336 PolarHBondContact O-N 3.19Å; A336-N338 PolarHBondContact O-N 3.32Å; A336-Q339 PolarHBondContact O-N 3.37Å; A336-M340 WeakPolarHBondContact O-CG 3.47Å; A336-M340 PolarHBondContact O-N 2.94Å; A336-M340 VanDerWaalsContact O-N 3.11Å
337C88.4Confident87.7Confident26 Ų2670.2 Ų70.218%0.17638%0.38CS..Hα-helixtrans-64.2-40.5177.6-68.10000112.3L311 L333 E334 Q339 M340 G341L311-C337 HydrophobicContact CD2-CB 3.8Å; L311-C337 WeakPolarHBondContact CD2-SG 3.41Å; L333-C337 WeakPolarHBondContact O-CB 3.38Å; L333-C337 PolarHBondContact O-N 3.21Å; L333-C337 PolarHBondContact O-SG 2.92Å; E334-C337 PolarHBondContact O-N 3.36Å; C337-Q339 VanDerWaalsContact C-N 3.3Å; C337-Q339 PolarHBondContact O-N 3.06Å; C337-M340 HydrophobicContact CB-CE 4.31Å; C337-M340 PolarHBondContact O-N 3.32Å; C337-M340 VanDerWaalsContact O-N 3.15Å; C337-G341 PolarHBondContact O-N 3.22Å
338N88.1Confident88.3Confident108 Ų10871.8 Ų71.858%0.57838%0.383SS*.Hα-helixtrans-62.2-37.4174.2-81.6-51.7000112.4E334 A336 M340 G341 P342E334-N338 WeakPolarHBondContact O-CB 3.44Å; E334-N338 PolarHBondContact O-N 3.5Å; E334-N338 PolarHBondContact O-ND2 2.97Å; E334-N338 VanDerWaalsContact O-ND2 3.08Å; A336-N338 PolarHBondContact O-N 3.32Å; N338-M340 VanDerWaalsContact C-N 3.32Å; N338-M340 PolarHBondContact O-N 3.47Å; N338-G341 PolarHBondContact O-N 3.39Å; N338-P342 WeakPolarHBondContact O-CD 3.37Å
339Q88.6Confident89Confident101 Ų10173.2 Ų73.247%0.47238%0.383SS..Hα-helixtrans-70.1-26.9175.7-73.6172.280.400113.2V301 G335 A336 C337V301-Q339 HydrophobicContact CG1-CB 4.08Å; V301-Q339 HydrophobicContact CG2-CB 4.3Å; G335-Q339 VanDerWaalsContact O-CG 3.31Å; G335-Q339 WeakPolarHBondContact O-CG 3.44Å; G335-Q339 PolarHBondContact O-N 3.19Å; G335-Q339 PolarHBondContact O-NE2 3.13Å; A336-Q339 PolarHBondContact O-N 3.37Å; C337-Q339 VanDerWaalsContact C-N 3.3Å; C337-Q339 PolarHBondContact O-N 3.06Å
340M89.3Confident89.6Confident3 Ų369.6 Ų69.62%0.01537%0.368CS..Hα-helixtrans-76.7-24175.1-68.2-173.9-68.100113.2V301 D304 K307 M308 A336 C337 N338 L343 I344V301-M340 HydrophobicContact CG1-CG 3.82Å; D304-M340 HydrophobicContact CB-SD 4.05Å; D304-M340 PolarHBondContact N-SD 3.29Å; K307-M340 HydrophobicContact CB-CE 4.36Å; M308-M340 HydrophobicContact CG-CE 3.66Å; M308-M340 HydrophobicContact SD-CE 4.35Å; A336-M340 WeakPolarHBondContact O-CG 3.47Å; A336-M340 PolarHBondContact O-N 2.94Å; A336-M340 VanDerWaalsContact O-N 3.11Å; C337-M340 HydrophobicContact CB-CE 4.31Å; C337-M340 PolarHBondContact O-N 3.32Å; C337-M340 VanDerWaalsContact O-N 3.15Å; N338-M340 VanDerWaalsContact C-N 3.32Å; N338-M340 PolarHBondContact O-N 3.47Å; M340-L343 WeakPolarHBondContact O-CB 3.32Å; M340-L343 PolarHBondContact O-N 2.85Å; M340-I344 HydrophobicContact CB-CD1 4.28Å; M340-I344 WeakPolarHBondContact O-CG1 3.33Å; M340-I344 PolarHBondContact O-N 3.46Å
341G88.4Confident90.1Very high22 Ų2273.2 Ų73.223%0.22739%0.386CS..Hα-helixtrans-48.4-55.8-178.200000114.4C337 N338 L343 I344 D345C337-G341 PolarHBondContact O-N 3.22Å; N338-G341 PolarHBondContact O-N 3.39Å; G341-L343 VanDerWaalsContact C-N 3.26Å; G341-L343 PolarHBondContact O-N 2.8Å; G341-I344 WeakPolarHBondContact O-CB 3.36Å; G341-I344 PolarHBondContact O-N 3.33Å; G341-D345 PolarHBondContact O-N 2.62Å
342P91.8Very high90.7Very high85 Ų8574.3 Ų74.355%0.55239%0.393SS*.Hα-helixtrans-59.9-32.3179-25.434.4000114.3N338 Q346N338-P342 WeakPolarHBondContact O-CD 3.37Å; P342-Q346 WeakPolarHBondContact O-CB 3.31Å; P342-Q346 PolarHBondContact O-N 3.15Å
343L90.7Very high91.3Very high55 Ų5573.6 Ų73.629%0.28838%0.384SS..Hα-helixtrans-71.7-38176.8-63.9172.8000111.2V301 I303 M340 G341 Q346 K347V301-L343 HydrophobicContact CB-CD1 4.18Å; V301-L343 HydrophobicContact CG1-CD1 4.01Å; V301-L343 WeakPolarHBondContact O-CD1 3.47Å; I303-L343 HydrophobicContact CD1-CB 4.14Å; I303-L343 HydrophobicContact CG1-CB 3.96Å; M340-L343 WeakPolarHBondContact O-CB 3.32Å; M340-L343 PolarHBondContact O-N 2.85Å; G341-L343 VanDerWaalsContact C-N 3.26Å; G341-L343 PolarHBondContact O-N 2.8Å; L343-Q346 PolarHBondContact O-N 3.45Å; L343-K347 VanDerWaalsContact O-CG 3.29Å; L343-K347 WeakPolarHBondContact O-CG 3.4Å; L343-K347 PolarHBondContact O-N 3.04Å
344I91.8Very high91.7Very high51 Ų5179.1 Ų79.126%0.26241%0.407SS..Hα-helixtrans-64.9-47.4175-64.9164.8000109.5I303 M308 M340 G341 Q346 K347 L348I303-I344 HydrophobicContact CD1-CG1 3.79Å; I303-I344 HydrophobicContact CG1-CG1 3.98Å; I303-I344 HydrophobicContact CG2-CD1 4.44Å; I303-I344 HydrophobicContact CG2-CG1 4.09Å; M308-I344 HydrophobicContact SD-CD1 4.06Å; M340-I344 HydrophobicContact CB-CD1 4.28Å; M340-I344 WeakPolarHBondContact O-CG1 3.33Å; M340-I344 PolarHBondContact O-N 3.46Å; G341-I344 WeakPolarHBondContact O-CB 3.36Å; G341-I344 PolarHBondContact O-N 3.33Å; I344-Q346 VanDerWaalsContact C-N 3.3Å; I344-Q346 PolarHBondContact O-N 3.31Å; I344-K347 PolarHBondContact O-N 3.49Å; I344-K347 VanDerWaalsContact O-N 3.07Å; I344-L348 HydrophobicContact CG2-CD1 4.01Å; I344-L348 HydrophobicContact CG2-CG 4.32Å; I344-L348 WeakPolarHBondContact O-CG 3.47Å; I344-L348 PolarHBondContact O-N 3.11Å
345D92.3Very high92.1Very high105 Ų10581 Ų8156%0.56142%0.416SS*.Hα-helixtrans-56.8-45.1176.9-70.3-26.8000111.4G341 K347 L348 E349G341-D345 PolarHBondContact O-N 2.62Å; D345-K347 PolarHBondContact O-N 3.47Å; D345-L348 PolarHBondContact O-N 3.15Å; D345-E349 PolarHBondContact O-N 2.94Å
346Q93.9Very high92.6Very high111 Ų11183.3 Ų83.352%0.51943%0.427SS..Hα-helixtrans-62.4-40.5175.8-172.5178.412.300112.4P342 L343 I344 E349 D350P342-Q346 WeakPolarHBondContact O-CB 3.31Å; P342-Q346 PolarHBondContact O-N 3.15Å; L343-Q346 PolarHBondContact O-N 3.45Å; I344-Q346 VanDerWaalsContact C-N 3.3Å; I344-Q346 PolarHBondContact O-N 3.31Å; Q346-E349 PolarHBondContact O-N 2.86Å; Q346-D350 WeakPolarHBondContact O-CB 3.18Å; Q346-D350 PolarHBondContact O-N 3.1Å
347K92.7Very high93.1Very high124 Ų12487.3 Ų87.354%0.53944%0.441SS..Hα-helixtrans-66.8-37.9176.3-72.8-65.2-178.6-169.80112.2I303 L343 I344 D345 D350 I351I303-K347 HydrophobicContact CD1-CG 3.83Å; L343-K347 VanDerWaalsContact O-CG 3.29Å; L343-K347 WeakPolarHBondContact O-CG 3.4Å; L343-K347 PolarHBondContact O-N 3.04Å; I344-K347 PolarHBondContact O-N 3.49Å; I344-K347 VanDerWaalsContact O-N 3.07Å; D345-K347 PolarHBondContact O-N 3.47Å; K347-D350 PolarHBondContact O-N 3.12Å; K347-I351 WeakPolarHBondContact O-CD1 3.49Å; K347-I351 VanDerWaalsContact O-CG1 3.24Å; K347-I351 WeakPolarHBondContact O-CG1 3.34Å; K347-I351 PolarHBondContact O-N 3.37Å
348L94.3Very high93.5Very high90 Ų9091.6 Ų91.647%0.47146%0.462SS..Hα-helixtrans-64.4-46.1175.3-71.3172.9000110.8I344 D345 D350 I351 D352I344-L348 HydrophobicContact CG2-CD1 4.01Å; I344-L348 HydrophobicContact CG2-CG 4.32Å; I344-L348 WeakPolarHBondContact O-CG 3.47Å; I344-L348 PolarHBondContact O-N 3.11Å; D345-L348 PolarHBondContact O-N 3.15Å; L348-D350 VanDerWaalsContact C-N 3.32Å; L348-D350 PolarHBondContact O-N 2.91Å; L348-I351 WeakPolarHBondContact O-CB 3.37Å; L348-I351 PolarHBondContact O-N 2.64Å; L348-I351 VanDerWaalsContact O-N 3.11Å; L348-D352 PolarHBondContact O-N 2.9Å
349E95.4Very high93.9Very high130 Ų13089.4 Ų89.461%0.60746%0.455SS*.Hα-helixtrans-60.2-41.3175.6-172.9179.5-17300112D345 Q346 I351 D352 R353D345-E349 PolarHBondContact O-N 2.94Å; Q346-E349 PolarHBondContact O-N 2.86Å; E349-I351 VanDerWaalsContact C-N 3.34Å; E349-I351 PolarHBondContact O-N 3.16Å; E349-D352 PolarHBondContact O-N 3.15Å; E349-R353 WeakPolarHBondContact O-CB 3.42Å; E349-R353 PolarHBondContact O-N 3.32Å
350D95.3Very high94.3Very high39 Ų3989.5 Ų89.521%0.20946%0.456CS..Hα-helixtrans-62.8-38.7174.7-81.9-10000112.7Q346 K347 L348 R353 K354Q346-D350 WeakPolarHBondContact O-CB 3.18Å; Q346-D350 PolarHBondContact O-N 3.1Å; K347-D350 PolarHBondContact O-N 3.12Å; L348-D350 VanDerWaalsContact C-N 3.32Å; L348-D350 PolarHBondContact O-N 2.91Å; D350-R353 IonicContact OD1-CZ 3.94Å; D350-R353 IonicContact OD1-NH1 2.65Å; D350-R353 PolarHBondContact OD1-NH1 2.85Å; D350-R353 IonicContact OD1-NH2 2.69Å; D350-R353 PolarHBondContact OD1-NH2 3.09Å; D350-K354 WeakPolarHBondContact O-CG 3.49Å; D350-K354 PolarHBondContact O-N 3.37Å; D350-K354 VanDerWaalsContact O-N 3.1Å
351I96.1Very high94.7Very high101 Ų10194.2 Ų94.252%0.51848%0.481SS..Hα-helixtrans-67.5-46.3176.3-72.1165.1000110.1K347 L348 E349 R353 K354 H355K347-I351 WeakPolarHBondContact O-CD1 3.49Å; K347-I351 VanDerWaalsContact O-CG1 3.24Å; K347-I351 WeakPolarHBondContact O-CG1 3.34Å; K347-I351 PolarHBondContact O-N 3.37Å; L348-I351 WeakPolarHBondContact O-CB 3.37Å; L348-I351 PolarHBondContact O-N 2.64Å; L348-I351 VanDerWaalsContact O-N 3.11Å; E349-I351 VanDerWaalsContact C-N 3.34Å; E349-I351 PolarHBondContact O-N 3.16Å; I351-R353 VanDerWaalsContact C-N 3.32Å; I351-R353 PolarHBondContact O-N 3.12Å; I351-K354 PolarHBondContact O-N 3.48Å; I351-H355 WeakPolarHBondContact O-CB 3.36Å; I351-H355 PolarHBondContact O-N 3.32Å
352D95.6Very high95.1Very high112 Ų11297.7 Ų97.760%0.59949%0.494SS*.Hα-helixtrans-61.1-41.9178.3-79.9-8000111.4L348 E349 H355 S356L348-D352 PolarHBondContact O-N 2.9Å; E349-D352 PolarHBondContact O-N 3.15Å; D352-H355 PolarHBondContact O-N 2.99Å; D352-S356 WeakPolarHBondContact O-CB 3.48Å; D352-S356 PolarHBondContact O-N 3.32Å
353R97.3Very high95.3Very high119 Ų11997 Ų9745%0.44949%0.488SS..Hα-helixtrans-60-48.9174.4-174.1169.767.9-112-0.8111.5E349 D350 I351 H355 S356 E357E349-R353 WeakPolarHBondContact O-CB 3.42Å; E349-R353 PolarHBondContact O-N 3.32Å; D350-R353 IonicContact OD1-CZ 3.94Å; D350-R353 IonicContact OD1-NH1 2.65Å; D350-R353 PolarHBondContact OD1-NH1 2.85Å; D350-R353 IonicContact OD1-NH2 2.69Å; D350-R353 PolarHBondContact OD1-NH2 3.09Å; I351-R353 VanDerWaalsContact C-N 3.32Å; I351-R353 PolarHBondContact O-N 3.12Å; R353-H355 VanDerWaalsContact C-N 3.33Å; R353-H355 PolarHBondContact O-N 3.13Å; R353-S356 WeakPolarHBondContact O-CB 3.26Å; R353-S356 PolarHBondContact O-N 3.33Å; R353-E357 WeakPolarHBondContact O-CG 3.36Å; R353-E357 PolarHBondContact O-N 3.49Å
354K95.8Very high95.6Very high134 Ų13499.5 Ų99.558%0.58350%0.497SS*.Hα-helixtrans-62.3-39.5176.8-75.5174.6-177168.80112.4D350 I351 E357 L358D350-K354 WeakPolarHBondContact O-CG 3.49Å; D350-K354 PolarHBondContact O-N 3.37Å; D350-K354 VanDerWaalsContact O-N 3.1Å; I351-K354 PolarHBondContact O-N 3.48Å; K354-E357 PolarHBondContact O-N 3.46Å; K354-L358 WeakPolarHBondContact O-CB 3.37Å; K354-L358 PolarHBondContact O-N 2.9Å
355H96.8Very high95.9Very high132 Ų132100.5 Ų100.561%0.61151%0.505SS*.Hα-helixtrans-64.8-43.3177.4-177.8-90000111I351 D352 R353 L358 S359I351-H355 WeakPolarHBondContact O-CB 3.36Å; I351-H355 PolarHBondContact O-N 3.32Å; D352-H355 PolarHBondContact O-N 2.99Å; R353-H355 VanDerWaalsContact C-N 3.33Å; R353-H355 PolarHBondContact O-N 3.13Å; H355-L358 PolarHBondContact O-N 3.29Å; H355-S359 VanDerWaalsContact O-CB 3.31Å; H355-S359 WeakPolarHBondContact O-CB 3.46Å; H355-S359 PolarHBondContact O-N 2.93Å
356S96.4Very high96Very high74 Ų74101.2 Ų101.252%0.51751%0.506SS..Hα-helixtrans-59.5-48.8174-174.50000111.7D352 R353 L358 S359 E360D352-S356 WeakPolarHBondContact O-CB 3.48Å; D352-S356 PolarHBondContact O-N 3.32Å; R353-S356 WeakPolarHBondContact O-CB 3.26Å; R353-S356 PolarHBondContact O-N 3.33Å; S356-L358 PolarHBondContact O-N 3.47Å; S356-S359 PolarHBondContact O-N 3.32Å; S356-E360 PolarHBondContact O-N 2.88Å
357E97.1Very high96.1Very high111 Ų111101.7 Ų101.752%0.51951%0.508SS..Hα-helixtrans-59.5-44.6177.2-73.2172.9-168.300112.1R353 K354 E360 L361R353-E357 WeakPolarHBondContact O-CG 3.36Å; R353-E357 PolarHBondContact O-N 3.49Å; K354-E357 PolarHBondContact O-N 3.46Å; E357-E360 PolarHBondContact O-N 2.93Å; E357-L361 WeakPolarHBondContact O-CB 3.42Å; E357-L361 PolarHBondContact O-N 2.74Å
358L96.3Very high96.2Very high117 Ų11798.6 Ų98.661%0.61351%0.506SS*.Hα-helixtrans-66.5-39.9179.2-174.562.6000111.8K354 H355 S356 L361 N362K354-L358 WeakPolarHBondContact O-CB 3.37Å; K354-L358 PolarHBondContact O-N 2.9Å; H355-L358 PolarHBondContact O-N 3.29Å; S356-L358 PolarHBondContact O-N 3.47Å; L358-L361 PolarHBondContact O-N 3.02Å; L358-N362 WeakPolarHBondContact O-CB 3.5Å; L358-N362 PolarHBondContact O-N 3.31Å
359S96.2Very high96.2Very high62 Ų6299.6 Ų99.643%0.43451%0.511SS..Hα-helixtrans-63.6-44.2175.6-175.90000111.3H355 S356 L361 N362 V363H355-S359 VanDerWaalsContact O-CB 3.31Å; H355-S359 WeakPolarHBondContact O-CB 3.46Å; H355-S359 PolarHBondContact O-N 2.93Å; S356-S359 PolarHBondContact O-N 3.32Å; S359-L361 PolarHBondContact O-N 3.21Å; S359-N362 PolarHBondContact O-N 2.97Å; S359-V363 WeakPolarHBondContact O-CG2 3.38Å; S359-V363 PolarHBondContact O-N 3.06Å
360E97.1Very high96.1Very high103 Ų10397 Ų9748%0.48151%0.507SS..Hα-helixtrans-61.7-43.7175.9-168.6-170.1158.800111.5S356 E357 N362 V363 K364S356-E360 PolarHBondContact O-N 2.88Å; E357-E360 PolarHBondContact O-N 2.93Å; E360-N362 VanDerWaalsContact C-N 3.33Å; E360-N362 PolarHBondContact O-N 2.9Å; E360-V363 PolarHBondContact O-N 2.85Å; E360-K364 WeakPolarHBondContact O-CG 3.35Å; E360-K364 PolarHBondContact O-N 3.37Å; E360-K364 WeakPolarHBondContact OE1-CE 3.44Å; E360-K364 IonicContact OE1-NZ 3.64Å; E360-K364 PolarHBondContact OE1-NZ 3.36Å
361L97.2Very high96Very high102 Ų10299.9 Ų99.953%0.53452%0.522SS..Hα-helixtrans-62.9-41176.6-172.763.7000111.6E357 L358 S359 V363 K364 V365E357-L361 WeakPolarHBondContact O-CB 3.42Å; E357-L361 PolarHBondContact O-N 2.74Å; L358-L361 PolarHBondContact O-N 3.02Å; S359-L361 PolarHBondContact O-N 3.21Å; L361-V363 PolarHBondContact O-N 3.27Å; L361-K364 PolarHBondContact O-N 2.78Å; L361-V365 WeakPolarHBondContact O-CG2 3.48Å; L361-V365 PolarHBondContact O-N 3.38Å
362N96.4Very high95.9Very high94 Ų94101.9 Ų101.950%0.50352%0.524SS..Hα-helixtrans-61.9-42.5176.6-173.551.2000111.7L358 S359 E360 V365 M366L358-N362 WeakPolarHBondContact O-CB 3.5Å; L358-N362 PolarHBondContact O-N 3.31Å; S359-N362 PolarHBondContact O-N 2.97Å; E360-N362 VanDerWaalsContact C-N 3.33Å; E360-N362 PolarHBondContact O-N 2.9Å; N362-V365 PolarHBondContact O-N 3.37Å; N362-M366 WeakPolarHBondContact O-CG 3.43Å; N362-M366 PolarHBondContact O-N 3.33Å
363V97.5Very high95.6Very high71 Ų7198.6 Ų98.643%0.4351%0.513SS..Hα-helixtrans-58.6-48.6173.3171.70000110.8S359 E360 L361 V365 M366 E367S359-V363 WeakPolarHBondContact O-CG2 3.38Å; S359-V363 PolarHBondContact O-N 3.06Å; E360-V363 PolarHBondContact O-N 2.85Å; L361-V363 PolarHBondContact O-N 3.27Å; V363-V365 VanDerWaalsContact C-N 3.3Å; V363-V365 PolarHBondContact O-N 3.45Å; V363-M366 PolarHBondContact O-N 3.05Å; V363-M366 VanDerWaalsContact O-N 3.13Å; V363-E367 HydrophobicContact CG1-CG 4.43Å; V363-E367 WeakPolarHBondContact O-CG 3.48Å; V363-E367 PolarHBondContact O-N 3.18Å
364K96.6Very high95.2Very high108 Ų10899.1 Ų99.147%0.4752%0.518SS..Hα-helixtrans-59.2-39.6178.2-72.1174.1-175.91650112.6E360 L361 E367 A368E360-K364 WeakPolarHBondContact O-CG 3.35Å; E360-K364 PolarHBondContact O-N 3.37Å; E360-K364 WeakPolarHBondContact OE1-CE 3.44Å; E360-K364 IonicContact OE1-NZ 3.64Å; E360-K364 PolarHBondContact OE1-NZ 3.36Å; L361-K364 PolarHBondContact O-N 2.78Å; K364-E367 PolarHBondContact O-N 3.42Å; K364-A368 WeakPolarHBondContact O-CB 3.49Å; K364-A368 PolarHBondContact O-N 3.16Å
365V97.5Very high94.9Very high71 Ų7197.9 Ų97.943%0.4352%0.517SS..Hα-helixtrans-65.1-44.1176.1170.10000110.9L361 N362 V363 E367 A368 L369L361-V365 WeakPolarHBondContact O-CG2 3.48Å; L361-V365 PolarHBondContact O-N 3.38Å; N362-V365 PolarHBondContact O-N 3.37Å; V363-V365 VanDerWaalsContact C-N 3.3Å; V363-V365 PolarHBondContact O-N 3.45Å; V365-E367 PolarHBondContact O-N 3.38Å; V365-A368 PolarHBondContact O-N 3.14Å; V365-L369 HydrophobicContact CG1-CD1 4.1Å; V365-L369 HydrophobicContact CG1-CG 4.47Å; V365-L369 WeakPolarHBondContact O-CG 3.47Å; V365-L369 PolarHBondContact O-N 2.66Å
366M94.3Very high94.4Very high121 Ų12197.4 Ų97.460%0.59652%0.517SS*.Hα-helixtrans-62.9-41.9176.9-69.8-175.772.200111.9N362 V363 L369 S370N362-M366 WeakPolarHBondContact O-CG 3.43Å; N362-M366 PolarHBondContact O-N 3.33Å; V363-M366 PolarHBondContact O-N 3.05Å; V363-M366 VanDerWaalsContact O-N 3.13Å; M366-L369 PolarHBondContact O-N 2.92Å; M366-S370 WeakPolarHBondContact O-CB 3.44Å; M366-S370 PolarHBondContact O-N 3.01Å
367E95.9Very high93.5Very high120 Ų120100.4 Ų100.456%0.56153%0.527SS*.Hα-helixtrans-61.2-47174.3-72.9-177.9164.200111.5V363 K364 V365 L369 S370 L371V363-E367 HydrophobicContact CG1-CG 4.43Å; V363-E367 WeakPolarHBondContact O-CG 3.48Å; V363-E367 PolarHBondContact O-N 3.18Å; K364-E367 PolarHBondContact O-N 3.42Å; V365-E367 PolarHBondContact O-N 3.38Å; E367-L369 PolarHBondContact O-N 2.9Å; E367-S370 PolarHBondContact O-N 2.91Å; E367-S370 PolarHBondContact O-OG 2.88Å; E367-L371 WeakPolarHBondContact O-CB 3.42Å; E367-L371 PolarHBondContact O-N 3.35Å
368A95.4Very high92.5Very high60 Ų60100.5 Ų100.550%0.49653%0.528SS..Hα-helixtrans-61-42.2177.900000112.4K364 V365 L371 Y372K364-A368 WeakPolarHBondContact O-CB 3.49Å; K364-A368 PolarHBondContact O-N 3.16Å; V365-A368 PolarHBondContact O-N 3.14Å; A368-L371 PolarHBondContact O-N 3.42Å; A368-Y372 WeakPolarHBondContact O-CB 3.47Å; A368-Y372 PolarHBondContact O-N 3.43Å
369L94.6Very high90.8Very high111 Ų111101.4 Ų101.458%0.58153%0.533SS*.Hα-helixtrans-65-39.8175.1-72.3174.5000111.9V365 M366 E367 Y372 A373V365-L369 HydrophobicContact CG1-CD1 4.1Å; V365-L369 HydrophobicContact CG1-CG 4.47Å; V365-L369 WeakPolarHBondContact O-CG 3.47Å; V365-L369 PolarHBondContact O-N 2.66Å; M366-L369 PolarHBondContact O-N 2.92Å; E367-L369 PolarHBondContact O-N 2.9Å; L369-Y372 PolarHBondContact O-N 2.7Å; L369-A373 WeakPolarHBondContact O-CB 3.48Å; L369-A373 PolarHBondContact O-N 2.92Å
370S93.1Very high89.5Confident74 Ų74102.9 Ų102.952%0.51754%0.541SS..Hα-helixtrans-65.1-40.2176.580.30000111.9M366 E367 A373 K374M366-S370 WeakPolarHBondContact O-CB 3.44Å; M366-S370 PolarHBondContact O-N 3.01Å; E367-S370 PolarHBondContact O-N 2.91Å; E367-S370 PolarHBondContact O-OG 2.88Å; S370-A373 PolarHBondContact O-N 3.23Å; S370-K374 WeakPolarHBondContact O-CB 3.4Å; S370-K374 PolarHBondContact O-N 3.28Å
371L93.3Very high87.7Confident100 Ų100103.1 Ų103.152%0.52455%0.55SS..Hα-helixtrans-66.3-44.4176.7179.964.1000111E367 A368 K374 L375E367-L371 WeakPolarHBondContact O-CB 3.42Å; E367-L371 PolarHBondContact O-N 3.35Å; A368-L371 PolarHBondContact O-N 3.42Å; L371-K374 WeakPolarHBondContact O-CB 3.4Å; L371-K374 PolarHBondContact O-N 2.88Å; L371-L375 HydrophobicContact CD1-CD1 4.36Å; L371-L375 HydrophobicContact CD1-CG 4.4Å; L371-L375 HydrophobicContact CG-CD1 4.14Å; L371-L375 WeakPolarHBondContact O-CG 3.4Å; L371-L375 PolarHBondContact O-N 2.92Å
372Y93.1Very high85.9Confident143 Ų143107.5 Ų107.556%0.56156%0.56SS**Hα-helixtrans-58.7-48.2174.3173-95000111.4A368 L369 K374 L375 M376A368-Y372 WeakPolarHBondContact O-CB 3.47Å; A368-Y372 PolarHBondContact O-N 3.43Å; L369-Y372 PolarHBondContact O-N 2.7Å; Y372-K374 VanDerWaalsContact C-N 3.26Å; Y372-K374 PolarHBondContact O-N 3.4Å; Y372-L375 PolarHBondContact O-N 3.43Å; Y372-M376 HydrophobicContact CD1-CG 4.22Å; Y372-M376 HydrophobicContact CD2-CE 4.23Å; Y372-M376 HydrophobicContact CD2-CG 4.21Å; Y372-M376 HydrophobicContact CE1-CG 3.79Å; Y372-M376 HydrophobicContact CE2-CE 3.33Å; Y372-M376 HydrophobicContact CE2-CG 3.8Å; Y372-M376 HydrophobicContact CE2-SD 4.38Å; Y372-M376 HydrophobicContact CG-CG 4.42Å; Y372-M376 WeakPolarHBondContact O-CB 3.34Å; Y372-M376 WeakPolarHBondContact O-CG 3.36Å; Y372-M376 PolarHBondContact O-N 2.86Å
373A89.1Confident84.1Confident43 Ų43105.2 Ų105.236%0.35556%0.555SS.*Hα-helixtrans-61.3-37.1177.400000111.9L369 S370 N377L369-A373 WeakPolarHBondContact O-CB 3.48Å; L369-A373 PolarHBondContact O-N 2.92Å; S370-A373 PolarHBondContact O-N 3.23Å; A373-N377 VanDerWaalsContact O-CB 3.28Å; A373-N377 WeakPolarHBondContact O-CB 3.28Å; A373-N377 VanDerWaalsContact O-CG 3.25Å; A373-N377 PolarHBondContact O-N 3.16Å; A373-N377 VanDerWaalsContact O-N 3.09Å; A373-N377 PolarHBondContact O-ND2 3.48Å; A373-N377 VanDerWaalsContact O-ND2 3.08Å
374K90.6Very high82.3Confident131 Ų131109.3 Ų109.357%0.5757%0.571SS**Hα-helixtrans-65.4-49.7175.3-172.6178.8179.9-178.30111.6S370 L371 Y372 M376 N377 E378S370-K374 WeakPolarHBondContact O-CB 3.4Å; S370-K374 PolarHBondContact O-N 3.28Å; L371-K374 WeakPolarHBondContact O-CB 3.4Å; L371-K374 PolarHBondContact O-N 2.88Å; Y372-K374 VanDerWaalsContact C-N 3.26Å; Y372-K374 PolarHBondContact O-N 3.4Å; K374-M376 VanDerWaalsContact C-N 3.3Å; K374-M376 PolarHBondContact O-N 3.09Å; K374-N377 CarbonylContact O-C 3.51Å; K374-N377 PolarHBondContact O-N 3.41Å; K374-N377 VanDerWaalsContact O-N 3.16Å; K374-E378 PolarHBondContact O-N 3.08Å
375L89.6Confident80.5Confident107 Ų107111.9 Ų111.956%0.5658%0.579SS**Hα-helixtrans-63.7-35.2178.7-71.8171.9000112.4L371 Y372 N377L371-L375 HydrophobicContact CD1-CD1 4.36Å; L371-L375 HydrophobicContact CD1-CG 4.4Å; L371-L375 HydrophobicContact CG-CD1 4.14Å; L371-L375 WeakPolarHBondContact O-CG 3.4Å; L371-L375 PolarHBondContact O-N 2.92Å; Y372-L375 PolarHBondContact O-N 3.43Å; L375-N377 VanDerWaalsContact C-N 3.32Å
376M84.6Confident78.7Confident122 Ų122110.9 Ų110.960%0.60158%0.578SS**Hα-helixtrans-72.9-23.9175.9-74.9-63.3170.200113.5Y372 K374Y372-M376 HydrophobicContact CD1-CG 4.22Å; Y372-M376 HydrophobicContact CD2-CE 4.23Å; Y372-M376 HydrophobicContact CD2-CG 4.21Å; Y372-M376 HydrophobicContact CE1-CG 3.79Å; Y372-M376 HydrophobicContact CE2-CE 3.33Å; Y372-M376 HydrophobicContact CE2-CG 3.8Å; Y372-M376 HydrophobicContact CE2-SD 4.38Å; Y372-M376 HydrophobicContact CG-CG 4.42Å; Y372-M376 WeakPolarHBondContact O-CB 3.34Å; Y372-M376 WeakPolarHBondContact O-CG 3.36Å; Y372-M376 PolarHBondContact O-N 2.86Å; K374-M376 VanDerWaalsContact C-N 3.3Å; K374-M376 PolarHBondContact O-N 3.09Å
377N78.8Confident77Confident137 Ų137112.8 Ų112.873%0.73358%0.583SS**Hα-helixtrans-100-3.8179.1-71.3-30.6000113.5A373 K374 L375 D379A373-N377 VanDerWaalsContact O-CB 3.28Å; A373-N377 WeakPolarHBondContact O-CB 3.28Å; A373-N377 VanDerWaalsContact O-CG 3.25Å; A373-N377 PolarHBondContact O-N 3.16Å; A373-N377 VanDerWaalsContact O-N 3.09Å; A373-N377 PolarHBondContact O-ND2 3.48Å; A373-N377 VanDerWaalsContact O-ND2 3.08Å; K374-N377 CarbonylContact O-C 3.51Å; K374-N377 PolarHBondContact O-N 3.41Å; K374-N377 VanDerWaalsContact O-N 3.16Å; L375-N377 VanDerWaalsContact C-N 3.32Å; N377-D379 PolarHBondContact O-N 2.97Å
378E74.8Confident75.2Confident114 Ų114113.2 Ų113.253%0.53359%0.588SS.*SBendtrans-77.7117.6168.2-82.1-174.6165.800109.1K374K374-E378 PolarHBondContact O-N 3.08Å
379D62.4Low73.4Confident135 Ų135117.8 Ų117.872%0.72260%0.6SS**PPolyproline II helixtrans-54.7133.2174.1-81.1-55.5000109.8N377 V381 A383N377-D379 PolarHBondContact O-N 2.97Å; D379-V381 PolarHBondContact O-N 3.29Å; D379-A383 HydrophobicContact CB-CB 4.34Å
380P67.4Low71.5Confident94 Ų94115.2 Ų115.261%0.6159%0.591SS**PPolyproline II helixtrans-58.4135.7175.622.1-30000108.7Y382 A383P380-Y382 PolarHBondContact O-N 2.8Å; P380-A383 PolarHBondContact O-N 2.75Å
381V59.2Low69.6Low108 Ų108119.1 Ų119.166%0.65560%0.601SS**THydrogen-bonded Turntrans-45.1-23.3-179.7177.60000113.1D379 A383 M384 Y385D379-V381 PolarHBondContact O-N 3.29Å; V381-A383 VanDerWaalsContact C-N 3.33Å; V381-A383 PolarHBondContact O-N 3.47Å; V381-M384 PolarHBondContact O-N 3.33Å; V381-Y385 HydrophobicContact CG1-CD2 4.14Å; V381-Y385 HydrophobicContact CG1-CE2 4.12Å; V381-Y385 PolarHBondContact O-N 3.24Å
382Y59Low67.5Low193 Ų193122.3 Ų122.376%0.75761%0.613SS**Hα-helixtrans-55.9-36.2171.1-153.6-96.4000114.9P380 M384 Y385 A386P380-Y382 PolarHBondContact O-N 2.8Å; Y382-M384 VanDerWaalsContact C-N 3.33Å; Y382-M384 PolarHBondContact O-N 3.38Å; Y382-Y385 PolarHBondContact O-N 3.39Å; Y382-A386 PolarHBondContact O-N 3.23Å
383A59.3Low65.5Low47 Ų47125.3 Ų125.339%0.38863%0.625SS.*Hα-helixtrans-67.6-33.3178.100000112.4D379 P380 V381 K387D379-A383 HydrophobicContact CB-CB 4.34Å; P380-A383 PolarHBondContact O-N 2.75Å; V381-A383 VanDerWaalsContact C-N 3.33Å; V381-A383 PolarHBondContact O-N 3.47Å; A383-K387 PolarHBondContact O-N 3.32Å
384M59.8Low63.7Low156 Ų156133.6 Ų133.677%0.76865%0.649SS**Hα-helixtrans-70-38.3175.1-167.2177.1175.400111.6V381 Y382 K387 L388V381-M384 PolarHBondContact O-N 3.33Å; Y382-M384 VanDerWaalsContact C-N 3.33Å; Y382-M384 PolarHBondContact O-N 3.38Å; M384-K387 PolarHBondContact O-N 3.32Å; M384-L388 PolarHBondContact O-N 3.36Å
385Y59.5Low61.7Low162 Ų162135.7 Ų135.764%0.63566%0.663SS**Hα-helixtrans-66.7-39.6173.7-90-86.4000112.8V381 Y382 K387 L388 Q389V381-Y385 HydrophobicContact CG1-CD2 4.14Å; V381-Y385 HydrophobicContact CG1-CE2 4.12Å; V381-Y385 PolarHBondContact O-N 3.24Å; Y382-Y385 PolarHBondContact O-N 3.39Å; Y385-K387 VanDerWaalsContact C-N 3.27Å; Y385-K387 PolarHBondContact O-N 2.75Å; Y385-L388 PolarHBondContact O-N 3.24Å; Y385-Q389 PolarHBondContact O-N 3.01Å
386A58.9Low59.9Low50 Ų50138.8 Ų138.841%0.41367%0.674SS.*Hα-helixtrans-61-36.9175.700000112.2Y382 Q389 S390Y382-A386 PolarHBondContact O-N 3.23Å; A386-Q389 PolarHBondContact O-N 3.28Å; A386-S390 PolarHBondContact O-N 3.24Å
387K57.9Low57.9Low161 Ų161141.9 Ų141.970%0.769%0.687SS**Hα-helixtrans-69-36.8178.9-138.5177.4-173.8-178.40112.4A383 M384 Y385 Q389 S390A383-K387 PolarHBondContact O-N 3.32Å; M384-K387 PolarHBondContact O-N 3.32Å; Y385-K387 VanDerWaalsContact C-N 3.27Å; Y385-K387 PolarHBondContact O-N 2.75Å; K387-Q389 VanDerWaalsContact C-N 3.34Å; K387-S390 PolarHBondContact O-N 3.38Å; K387-S390 PolarHBondContact O-OG 3.41Å
388L58.6Low56.3Low129 Ų129141.4 Ų141.468%0.67569%0.691SS**Hα-helixtrans-67.7-34.9176.8-154.676.3000112.1M384 Y385M384-L388 PolarHBondContact O-N 3.36Å; Y385-L388 PolarHBondContact O-N 3.24Å
389Q57.1Low54.8Low157 Ų157140.3 Ų140.373%0.73470%0.702SS**Hα-helixtrans-69.3-33.7177.4-140.8172.410.100112.2Y385 A386 K387 Q391 Q392Y385-Q389 PolarHBondContact O-N 3.01Å; A386-Q389 PolarHBondContact O-N 3.28Å; K387-Q389 VanDerWaalsContact C-N 3.34Å; Q389-Q391 PolarHBondContact O-N 3.49Å; Q389-Q392 PolarHBondContact O-N 3.41Å
390S55.8Low53.5Low57 Ų57139.7 Ų139.740%0.39971%0.708SS.*Hα-helixtrans-69.5-28.2178.773.40000114.3A386 K387 Y393A386-S390 PolarHBondContact O-N 3.24Å; K387-S390 PolarHBondContact O-N 3.38Å; K387-S390 PolarHBondContact O-OG 3.41Å; S390-Y393 PolarHBondContact O-N 3.44Å
391Q53.6Low51.9Low156 Ų156139.9 Ų139.973%0.72972%0.717SS**Hα-helixtrans-74-25.9178.3-84.1-141.816.400113.9Q389 Y393Q389-Q391 PolarHBondContact O-N 3.49Å; Q391-Y393 PolarHBondContact O-N 3.5Å
392Q49.3Very low50.7Low166 Ų166139.1 Ų139.178%0.77672%0.723SS**Hα-helixtrans-71.8-20.6176.2-75-68.5-61.500112.8Q389Q389-Q392 PolarHBondContact O-N 3.41Å
393Y50.7Low49.5Very low207 Ų207138 Ų13881%0.81273%0.725SS**G310 helixtrans-86.4-14.1-176-136.6-93.3000114.2S390 Q391S390-Y393 PolarHBondContact O-N 3.44Å; Q391-Y393 PolarHBondContact O-N 3.5Å
394Y50.4Low48.2Very low217 Ų217143 Ų14385%0.85174%0.74SS**G310 helixtrans-94.10.5-175.2-92.3-79.8000115.4
395M49.7Very low46.8Very low175 Ų175141.5 Ų141.586%0.86274%0.739SS**G310 helixtrans-93.48.7178.5-85.9-151.678.800115
396Q52.3Low45.2Very low172 Ų172144.1 Ų144.180%0.80475%0.749SS**SBendtrans-14180.7-173.5-146.117688.700113
397Q41.5Very low44.7Very low187 Ų187147.2 Ų147.287%0.87477%0.765SS**  176.2151.1129-96.8-179.424.400113.8
398P45Very low43.3Very low126 Ų126143.2 Ų143.282%0.81877%0.769SS**  trans-99172-167.339.4-34.2000115.7
399A44.5Very low41.9Very low92 Ų92146.1 Ų146.176%0.7678%0.779SS**  trans-61.9151-171.400000117.4
400S33.8Very low41.5Very low122 Ų122143.8 Ų143.885%0.85378%0.778SS**  174.8141.5127.6-740000114.5
401A34.5Very low40.4Very low97 Ų97145.3 Ų145.380%0.80279%0.794SS**  trans76.598.6146.600000122.4
402A33.6Very low39.4Very low93 Ų93143.6 Ų143.677%0.76980%0.799SS**  49116.6113.700000122.4
403Q33.8Very low38.5Very low170 Ų170138.4 Ų138.479%0.79479%0.791SS**  68.8126.1123.5-85.9-168.1-30.300123.2
404Q32.8Very low37.6Very low152 Ų152133.1 Ų133.171%0.7178%0.784SS**  98128.6125.5-72-72.62200122.1
405V29.7Very low36.8Very low123 Ų123133 Ų13375%0.74578%0.783SS**  trans86.9121.2140.7175.50000121.3
406Y26.8Very low36Very low218 Ų218129.1 Ų129.186%0.85578%0.778SS**  trans-37-176.2156.1-102.7-82.1000116.3
407P48Very low35.2Very low114 Ų114129.4 Ų129.474%0.7478%0.782SS**  cis-135.4172.2-15.433.1-13.6000115.6
408G28.4Very low34.7Very low77 Ų77126.1 Ų126.179%0.79478%0.78SS**  trans123.9118.7142.300000119.2
409Q29.4Very low34Very low190 Ų190122.8 Ų122.889%0.88877%0.769SS**  trans-40.1-177.9160-97.9178.1-31.800117.7
410P47.7Very low33.5Very low109 Ų109125.8 Ų125.871%0.70878%0.777SS**  cis-140.1-175.7125.20.8000116.4
411A33.3Very low33.5Very low89 Ų89123.5 Ų123.574%0.73677%0.773SS**  trans68.8143.3143.400000118.7
412S32.3Very low33.3Very low120 Ų120125.4 Ų125.484%0.83978%0.775SS**  cis-173.2149.2-1.3-85.60000107.5
413G31.4Very low33.2Very low57 Ų57128 Ų12859%0.58877%0.771SS**  trans97.2108.313700000120.9
414S30.8Very low32.9Very low95 Ų95123.7 Ų123.766%0.66477%0.772SS**  trans80.9144.6131.5-33.80000116.7
415Y33.2Very low32.9Very low216 Ų216125.6 Ų125.685%0.84777%0.774SS**  cis-160.9151.227.5-29.1-103000110.4
416A33.6Very low32.9Very low92 Ų92126 Ų12676%0.7678%0.777SS**  trans5.3140.5158.500000124.2
417M34.5Very low33.2Very low179 Ų179122.3 Ų122.388%0.88278%0.776SS**  -173.4142104.1-101.4-64.4-144.500114
418S31.9Very low32.6Very low117 Ų117122.4 Ų122.482%0.81878%0.777SS**  trans-55.3166.2174.1-440000114.4
419G31Very low32.7Very low57 Ų57125.5 Ų125.559%0.58878%0.78SS**  cis167.1172.39.700000110.1
420T34.2Very low32.9Very low154 Ų154125 Ų12595%0.94578%0.778SS**  trans80.4119.7177.872.90000114.5
421G32.1Very low32.1Very low74 Ų74128.7 Ų128.776%0.76379%0.786SS**  cis122118.830.100000104.9
422V31.8Very low32.3Very low138 Ų138131.9 Ų131.984%0.83679%0.79SS**  -167.1132.662.2171.70000111
423Q30.6Very low32.5Very low147 Ų147132 Ų13269%0.68779%0.787SS**  trans21.1114.7149.9-63.4177.6-24.500123.6Y425Q423-Y425 HydrophobicContact CG-CD2 4.49Å; Q423-Y425 HydrophobicContact CG-CE2 4.05Å
424G27.9Very low32.5Very low79 Ų79134.4 Ų134.481%0.81480%0.802SS**  trans-124128.6134.900000108.8
425Y32.1Very low32.4Very low193 Ų193133.7 Ų133.776%0.75781%0.81SS**  trans-95.9114.1178.7-89.3-86.3000110.7Q423Q423-Y425 HydrophobicContact CG-CD2 4.49Å; Q423-Y425 HydrophobicContact CG-CE2 4.05Å
426T30.4Very low32.6Very low132 Ų132127.9 Ų127.981%0.8181%0.807SS**  trans-115.6135.1151.140.90000107.8
427V32.9Very low33.2Very low139 Ų139128.4 Ų128.484%0.84280%0.802SS**  trans-85.1133.1-176.3178.80000109.8
428P35.1Very low33.2Very low117 Ų117127.4 Ų127.476%0.7680%0.799SS**  trans-122.3156.3151.520.5-0.4000113.2
429V31.1Very low33.7Very low141 Ų141127.8 Ų127.886%0.85580%0.798SS**  trans-55.4141.3-166.473.30000115.8
430E33Very low33.7Very low179 Ų179128.9 Ų128.984%0.83681%0.809SS**  trans-83.7133.1179-155.2154104.600111.4
431Q30.7Very low33.7Very low188 Ų188130.2 Ų130.288%0.87981%0.805SS**  trans-119.8112.5-179.2-140.9171.727.100107.2
432L37.2Very low33.9Very low155 Ų155132.6 Ų132.681%0.81281%0.807SS**PPolyproline II helixtrans-96.8139.6174.4-80.5164.7000110.8
433P36.3Very low33.9Very low122 Ų122129.9 Ų129.979%0.79280%0.799SS**PPolyproline II helixtrans-90.2161.4176.134.3-31.3000113.8
434A32.4Very low34.7Very low108 Ų108129.1 Ų129.189%0.89381%0.807SS**PPolyproline II helixtrans-80.2161-169.100000116.3
435G29Very low34.8Very low80 Ų80129 Ų12983%0.82581%0.805SS**  trans-155.8117.1156.100000110.5
436A37.6Very low34.6Very low95 Ų95127.1 Ų127.179%0.78581%0.809SS**  trans-89.3-162-170.500000113.2
437P45Very low34.6Very low102 Ų102126.3 Ų126.366%0.66280%0.803SS**  cis-138.1156.8-23.821.53.2000116.9
438I35.1Very low34.5Very low159 Ų159127.8 Ų127.882%0.81580%0.8SS**  56.1149.5122.1-50.8169.6000119.5
439P41.9Very low34.2Very low125 Ų125129.7 Ų129.781%0.81280%0.801SS**  cis-139164.824.322.24.1000119.8
440G32.3Very low34.1Very low79 Ų79132.3 Ų132.381%0.81480%0.797SS**  trans151.877.914600000117.5
441Q33.3Very low34Very low183 Ų183131.9 Ų131.986%0.85580%0.797SS**  trans-74.9168.3161.6-109.1-172.6-27.400110.9
442P35.8Very low33.9Very low123 Ų123126.5 Ų126.580%0.79979%0.792SS**  cis-140.3165.736.238.2-16.9000117.9
443A31.2Very low33.9Very low81 Ų81128.4 Ų128.467%0.66980%0.797SS**  trans-90.2-166.1160.900000109.2
444P48Very low34Very low132 Ų132128.3 Ų128.386%0.85780%0.796SS**  cis-135.2-176.9-7.236.9-15.9000113.5
445G30.1Very low34.5Very low76 Ų76127.8 Ų127.878%0.78478%0.783SS**  trans-177134.6167.900000115.6
446D28.1Very low34.6Very low154 Ų154130.6 Ų130.682%0.82478%0.784SS**  trans-61.9150.7-165.9-87.1-84.7000120.4
447V29.7Very low34.4Very low114 Ų114136.2 Ų136.269%0.69179%0.787SS**  trans-1.4126.3135.8-163.20000118
448H31.3Very low33.7Very low170 Ų170136.4 Ų136.479%0.78780%0.797SS**  176.2129.2121.8-108.5-100.6000115.1
449M29.4Very low33.4Very low158 Ų158133.9 Ų133.978%0.77880%0.8SS**  trans28.2136.8139.4-74.8-73.1176.300124.9
450Y29.2Very low32.9Very low195 Ų195132.5 Ų132.577%0.76580%0.799SS**  trans101.5128.7135.3-120.2-106.7000122.2
451M30.1Very low33.8Very low171 Ų171135.1 Ų135.184%0.84280%0.801SS**  trans40.3135.7151.9-88.4-170.4145.100123.1
452G29.1Very low33.7Very low75 Ų75130 Ų13077%0.77380%0.798SS**  trans158.6118.9146.300000114.6
453Q37.2Very low33.5Very low195 Ų195128.7 Ų128.791%0.91180%0.797SS**  trans-54.3169.3172.5-65.6172.7-69.200113.8
454P37.5Very low33.4Very low119 Ų119134.2 Ų134.277%0.77381%0.812SS**  trans-122.5160.1140.236.5-26000113.5
455P43.7Very low32.6Very low97 Ų97132.3 Ų132.363%0.6381%0.807SS**  trans-100.4158.8-157.538.1-32.6000114.8Y457P455-Y457 HydrophobicContact CG-CE2 3.9Å
456V30.3Very low33.8Very low139 Ų139134.7 Ų134.784%0.84281%0.809SS**  trans-66.8140.4162.5-90.90000112
457Y33.8Very low33.9Very low214 Ų214131.5 Ų131.584%0.83980%0.804SS**  trans-130.2125.8154.4-72-85.8000109.4P455P455-Y457 HydrophobicContact CG-CE2 3.9Å
458A30.3Very low33.8Very low105 Ų105132.8 Ų132.887%0.86881%0.807SS**  trans-102.6149.3174.300000110
459A28.7Very low33.7Very low107 Ų107131.3 Ų131.388%0.88480%0.803SS**  trans-150.8134155.700000110.1
460A32.3Very low33.6Very low95 Ų95132.1 Ų132.179%0.78581%0.805SS**  trans-151.1179.817200000106.6
461P51.8Low33.5Very low134 Ų134127.8 Ų127.887%0.8780%0.804SS**  cis-135.9-178.9-21.929.6-7.5000114.1
462G29.9Very low33.6Very low77 Ų77130 Ų13079%0.79480%0.804SS**  trans129143.8153.900000114.2
463A31.6Very low34.2Very low94 Ų94132.2 Ų132.278%0.77781%0.805SS**  cis-169.8153.1-8.100000108.8
464M29.8Very low33.9Very low197 Ų197129 Ų12997%0.9779%0.794SS**  trans64.7139.2152.3-82166.7162.700122.9
465A31.8Very low34Very low93 Ų93129.2 Ų129.277%0.76980%0.795SS**  trans-93.8-154.8-172.500000113.2
466P55Low33.4Very low125 Ų125128 Ų12881%0.81279%0.793SS**  cis-133.3-174.1-28.331.5-9.6000114.1
467A30.3Very low33.5Very low87 Ų87127 Ų12772%0.71979%0.793SS**  trans114.3149.8143.500000121.8
468D27.5Very low33.3Very low142 Ų142122 Ų12276%0.75980%0.795SS**  trans87114.8168-67.3-60.9000119.8
469I28Very low33.4Very low138 Ų138121.4 Ų121.471%0.70879%0.79SS**  82.6135.360.3-96.1175.1000114.1
470Q28.6Very low33.4Very low175 Ų175124 Ų12482%0.81879%0.789SS**  trans74.7149.4171.3-73.1167.7-11.800117.5
471S26.6Very low33.3Very low105 Ų105124.4 Ų124.473%0.73478%0.784SS**  cis-179.9151.3-16.7-93.50000105.3
472Y31Very low32.2Very low218 Ų218125.2 Ų125.286%0.85579%0.787SS**  trans-40.8155.1167.3-88.5-83.4000114.8
473P41.8Very low32.4Very low120 Ų120126 Ų12678%0.77979%0.786SS**  -146.3152.877.936.7-16.4000118
474N31.9Very low33.1Very low129 Ų129127.6 Ų127.669%0.6979%0.789SS**  trans-52.5160.3155.9-152.323.2000111.4
475P40.1Very low33.2Very low122 Ų122122.8 Ų122.879%0.79278%0.78SS**  -136.3146.7120.635.2-23.7000113.6
476A30.5Very low33.2Very low72 Ų72125 Ų12560%0.59578%0.779SS**  trans-85.6160.2172.300000112.4
477S33Very low32Very low119 Ų119130.5 Ų130.583%0.83279%0.786SS**  trans69.7111.7145.853.80000120.6
478A29.7Very low32.1Very low107 Ų107131.4 Ų131.488%0.88479%0.786SS**  -157.6128.7127.100000110.4
479A31.5Very low32.3Very low93 Ų93129 Ų12977%0.76979%0.787SS**  trans-76.7148.6177.100000112.3
480L28Very low33.3Very low162 Ų162128.8 Ų128.885%0.84879%0.794SS**  trans-167.6111142.9-105.7136.5000111.2
481C30.1Very low33.6Very low103 Ų103126.6 Ų126.670%0.69680%0.798SS**  trans17.3125.5137.3-21.30000118.2
482T29.7Very low33.8Very low151 Ų151125.3 Ų125.393%0.92680%0.801SS**  173.2131.112230.70000112.6
483A32.8Very low33.9Very low94 Ų94122 Ų12278%0.77780%0.804SS**  trans-150.7168.1159.200000106.3
484P47.2Very low33.5Very low128 Ų128121.8 Ų121.883%0.83181%0.805SS**  cis-132.4174.7-35.931.5-12.1000112.1
485A31.7Very low33.6Very low96 Ų96123.6 Ų123.679%0.79381%0.813SS**  trans-147.2114.8161.100000107.5
486N31.8Very low33.6Very low140 Ų140121.6 Ų121.675%0.74981%0.807SS**  72.6109.560.2-149.926.7000113.3
487Y31.2Very low34.2Very low240 Ų240124.1 Ų124.194%0.94182%0.817SS**  trans-142.5132.2154.5-109.3-82.4000110.2
488S31.5Very low35.1Very low105 Ų105124.3 Ų124.373%0.73482%0.815SS**  trans-95.1158.3-163.8-450000113.4
489A32.5Very low35.8Very low93 Ų93124.7 Ų124.777%0.76981%0.812SS**  trans-120.3147.1160.200000109.5
490P47.2Very low35.9Very low133 Ų133128 Ų12886%0.86482%0.816SS**  trans-93.3158.6-167.936.1-33.1000114.5
491S34.9Very low36.3Very low129 Ų129126.1 Ų126.190%0.90281%0.811SS**  trans-82.5154.3-170.2-35.60000114.7
492G32Very low37.3Very low77 Ų77126.4 Ų126.479%0.79481%0.812SS**  trans-146133163.800000110.2
493T33.8Very low37.3Very low150 Ų150128.7 Ų128.792%0.9281%0.812SS**  trans-74.2152.3-157.228.90000118.1
494S32.9Very low37.5Very low114 Ų114128.6 Ų128.680%0.79781%0.811SS**  trans-95.9143.6173.1-178.30000112.3
495I34.3Very low37.6Very low167 Ų167127.6 Ų127.686%0.85681%0.805SS**  trans-140.5123.6163.9-67.5-179.4000108.4
496A38.5Very low37.7Very low81 Ų81134.7 Ų134.767%0.66981%0.813SS**  trans-74.7173.1171.400000112.3
497P43.8Very low38.2Very low124 Ų124133.2 Ų133.281%0.80581%0.814SS**  -152.6-160.399.747.7-28.9000112.8
498P52.3Low38.5Very low123 Ų123131.1 Ų131.180%0.79981%0.812SS**  -121.7176.2-118.625.41.4000115.2
499S43.6Very low38.9Very low116 Ų116135.3 Ų135.381%0.81182%0.817SS**  trans-73.8142.4173.8-39.30000113.5
500D34.4Very low39.2Very low161 Ų161134.9 Ų134.986%0.86181%0.814SS**  trans-166.7148.2132.9-131.5-45000112.1
501V35.8Very low39.1Very low123 Ų123136.1 Ų136.175%0.74581%0.812SS**  trans-112.6180-175.4172.10000106.5
502P52.5Low39.4Very low109 Ų109141 Ų14171%0.70883%0.827SS**  cis-125164.8-21.521.9-0.3000114
503Q28.9Very low39.8Very low200 Ų200144.2 Ų144.294%0.93583%0.829SS**  trans-167.7121.4136.8-115.9171.8-15.500113
504A36.8Very low40.1Very low91 Ų91143.9 Ų143.975%0.75282%0.824SS**  trans-115.6172150.400000107
505P49.1Very low40.5Very low108 Ų108145.6 Ų145.670%0.70183%0.825SS**  cis-131.5160.4-5.637-20.7000112.8
506Y33.7Very low40.9Very low245 Ų245144.3 Ų144.396%0.96182%0.824SS**  trans-145.6135.4149.6-99.6-79.3000111.1
507S42.6Very low41Very low109 Ų109148.3 Ų148.376%0.76283%0.833SS**  trans-88133.5-178.6-168.80000109.2
508E37Very low40.8Very low196 Ų196149.9 Ų149.992%0.91684%0.835SS**  trans-155.1140.5146-136.3174.2130.100113
509K40.5Very low40Very low192 Ų192151.8 Ų151.884%0.83584%0.838SS**  trans-72.5162.9-178.8-66.1171.71681770111.9
510A39.4Very low39.7Very low84 Ų84154.5 Ų154.569%0.69484%0.84SS**  107.7134.1128.900000118.6
511L44.7Very low40.2Very low159 Ų159154 Ų15483%0.83284%0.838SS**  trans74.3122.3155.9-63.7151.2000114
512L41.4Very low40.6Very low232 Ų232156.8 Ų156.8100%1.21585%0.846SS**  cis-160.6039.1-144.4139.1000110.2

Retrieved 512 of 512 residues in 191.6 ms (Link to these results)

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