A0A5K4FEQ8_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4FEQ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 372 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47Very low71Confident156 Ų15665.3 Ų65.377%0.76833%0.326SS*.  0-36.40-87.8-177.9168.700112.9L3 S4M1-L3 PolarHBondContact O-N 3.33Å; M1-S4 PolarHBondContact O-N 2.82Å; M1-S4 PolarHBondContact O-OG 3.43Å; M1-S4 VanDerWaalsContact O-OG 3.06Å
2A51.2Low72.8Confident2 Ų263.5 Ų63.52%0.01732%0.316CS..  trans-61.4-39.5-176.300000114.4S4 R5 V46 L49 E50A2-S4 VanDerWaalsContact C-N 3.35Å; A2-S4 PolarHBondContact O-N 3Å; A2-R5 PolarHBondContact O-N 3.01Å; A2-R5 VanDerWaalsContact O-N 3.14Å; A2-V46 HydrophobicContact CB-CG1 4.17Å; A2-L49 HydrophobicContact CB-CB 4.03Å; A2-L49 HydrophobicContact CB-CD1 4.45Å; A2-E50 HydrophobicContact CB-CG 4.12Å
3L50.1Low74.3Confident111 Ų11160.7 Ų60.758%0.58130%0.302SS*.G310 helixtrans-60.4-37.7-178.3-78.5163.2000114M1 R5 L6 V46M1-L3 PolarHBondContact O-N 3.33Å; L3-R5 PolarHBondContact O-N 3.33Å; L3-L6 PolarHBondContact O-N 3.46Å; L3-V46 HydrophobicContact CD2-CG2 3.69Å; L3-V46 HydrophobicContact CG-CG1 4.3Å; L3-V46 HydrophobicContact CG-CG2 4.14Å
4S57.4Low75.7Confident109 Ų10956.4 Ų56.476%0.76228%0.28SS*.G310 helixtrans-72.2-9-178.5650000113.3M1 A2M1-S4 PolarHBondContact O-N 2.82Å; M1-S4 PolarHBondContact O-OG 3.43Å; M1-S4 VanDerWaalsContact O-OG 3.06Å; A2-S4 VanDerWaalsContact C-N 3.35Å; A2-S4 PolarHBondContact O-N 3Å
5R63.5Low76.8Confident132 Ų13257.3 Ų57.350%0.49828%0.284SS..G310 helixtrans-91.9-17.8178.7-64.3-173.4174.9-177.3-1.1113.2A2 L3A2-R5 PolarHBondContact O-N 3.01Å; A2-R5 VanDerWaalsContact O-N 3.14Å; L3-R5 PolarHBondContact O-N 3.33Å
6L74.2Confident77.8Confident15 Ų1558.1 Ų58.18%0.07930%0.297CS..SBendtrans-91.7133.8178.1-65.6173.3000109.1L3 K42 I45 V46 F61 Y126L3-L6 PolarHBondContact O-N 3.46Å; L6-K42 HydrophobicContact CD1-CG 3.99Å; L6-I45 HydrophobicContact CD1-CB 4.3Å; L6-I45 HydrophobicContact CD1-CG2 3.83Å; L6-I45 HydrophobicContact CD2-CG2 3.83Å; L6-I45 HydrophobicContact CG-CG2 4.41Å; L6-V46 HydrophobicContact CD1-CG2 3.63Å; L6-F61 HydrophobicContact CD2-CD2 3.79Å; L6-F61 HydrophobicContact CD2-CE2 4.03Å; L6-Y126 HydrophobicContact CD2-CD1 4.47Å; L6-Y126 HydrophobicContact CD2-CE1 3.85Å
7P74Confident78.6Confident53 Ų5356.9 Ų56.934%0.34430%0.295SS..PPolyproline II helixtrans-64.6161.6175.427.4-32.2000110.7L9 F61P7-L9 PolarHBondContact O-N 3.42Å; P7-F61 HydrophobicContact CB-CE1 4.45Å; P7-F61 VanDerWaalsContact CD-CG 3.48Å; P7-F61 HydrophobicContact CG-CD1 3.17Å; P7-F61 HydrophobicContact CG-CD2 4.46Å; P7-F61 HydrophobicContact CG-CE1 3.01Å; P7-F61 HydrophobicContact CG-CE2 4.35Å; P7-F61 HydrophobicContact CG-CG 3.92Å; P7-F61 HydrophobicContact CG-CZ 3.66Å
8R85.4Confident79.4Confident125 Ų12554.3 Ų54.347%0.47228%0.282SS..PPolyproline II helixtrans-66126.1176.3-169.9174.7-170.7-165-0.9109.8E12 Q13 S16R8-E12 VanDerWaalsContact CA-OE2 3.31Å; R8-E12 WeakPolarHBondContact CA-OE2 3.35Å; R8-E12 HydrophobicContact CG-CB 3.56Å; R8-E12 WeakPolarHBondContact CG-OE2 3.18Å; R8-E12 VanDerWaalsContact CZ-O 3.31Å; R8-E12 PolarHBondContact NE-O 3.38Å; R8-E12 PolarHBondContact NH2-O 3.45Å; R8-Q13 HydrophobicContact CG-CG 4.18Å; R8-Q13 PolarHBondContact O-NE2 2.85Å; R8-S16 PolarHBondContact NH1-OG 3.43Å; R8-S16 PolarHBondContact NH2-OG 3.47Å
9L90.8Very high80Confident4 Ų454.3 Ų54.32%0.02129%0.286CS..PPolyproline II helixtrans-64.5152.4178.3-60.8176.9000110.3P7 W11 E12 Q13 L39 K42 E119 L123P7-L9 PolarHBondContact O-N 3.42Å; L9-W11 PolarHBondContact O-N 3.33Å; L9-E12 HydrophobicContact CB-CB 4.37Å; L9-E12 HydrophobicContact CB-CG 4.06Å; L9-E12 PolarHBondContact N-OE2 3.27Å; L9-E12 WeakPolarHBondContact O-CA 3.47Å; L9-E12 WeakPolarHBondContact O-CB 3.48Å; L9-E12 PolarHBondContact O-N 3.24Å; L9-Q13 PolarHBondContact O-N 3.4Å; L9-L39 HydrophobicContact CD1-CD2 3.95Å; L9-K42 HydrophobicContact CD1-CB 4.18Å; L9-K42 HydrophobicContact CD1-CD 3.55Å; L9-K42 HydrophobicContact CD2-CD 4.07Å; L9-K42 HydrophobicContact CG-CD 3.7Å; L9-E119 WeakPolarHBondContact CA-OE2 3.25Å; L9-E119 HydrophobicContact CD2-CG 4.23Å; L9-E119 WeakPolarHBondContact CD2-OE1 3.34Å; L9-L123 HydrophobicContact CD2-CD1 3.94Å
10I93.1Very high80.6Confident4 Ų457.1 Ų57.12%0.02131%0.307CS..Hα-helixtrans-54.9-41.6172.9-67.3151.1000110.6E12 Q13 I14 V72 I112 Y115 I116 E119I10-E12 VanDerWaalsContact C-N 3.28Å; I10-E12 PolarHBondContact O-N 3.13Å; I10-Q13 WeakPolarHBondContact O-CB 3.47Å; I10-Q13 PolarHBondContact O-N 2.91Å; I10-Q13 VanDerWaalsContact O-N 3.08Å; I10-I14 HydrophobicContact CG2-CD1 3.93Å; I10-I14 HydrophobicContact CG2-CG1 4.49Å; I10-I14 WeakPolarHBondContact O-CG1 3.47Å; I10-I14 PolarHBondContact O-N 3.48Å; I10-V72 HydrophobicContact CG2-CG2 4.11Å; I10-I112 HydrophobicContact CG2-CG2 4.31Å; I10-Y115 VanDerWaalsContact CD1-CB 3.45Å; I10-Y115 VanDerWaalsContact CD1-O 3.28Å; I10-Y115 WeakPolarHBondContact CD1-O 3.31Å; I10-I116 HydrophobicContact CB-CG1 4.04Å; I10-I116 HydrophobicContact CD1-CG1 4.23Å; I10-I116 HydrophobicContact CG2-CD1 4.31Å; I10-I116 HydrophobicContact CG2-CG1 3.83Å; I10-E119 HydrophobicContact CD1-CB 3.92Å; I10-E119 PolarHBondContact N-OE1 3.15Å; I10-E119 PolarHBondContact N-OE2 3.47Å
11W94.5Very high81Confident7 Ų760 Ų603%0.02733%0.326CS..Hα-helixtrans-59.1-40175.5176.7-118.1000112.6L9 Q13 I14 M15 I23 V26 R27 I30 I35L9-W11 PolarHBondContact O-N 3.33Å; W11-Q13 VanDerWaalsContact C-N 3.31Å; W11-Q13 PolarHBondContact O-N 3.08Å; W11-I14 HydrophobicContact CE3-CB 4.29Å; W11-I14 HydrophobicContact CE3-CD1 4.39Å; W11-I14 HydrophobicContact CE3-CG2 4.26Å; W11-I14 HydrophobicContact CZ3-CB 4.48Å; W11-I14 HydrophobicContact CZ3-CG2 3.97Å; W11-I14 PolarHBondContact O-N 3.27Å; W11-M15 HydrophobicContact CD2-CG 4.27Å; W11-M15 HydrophobicContact CG-CE 4.48Å; W11-M15 HydrophobicContact CH2-CG 4.28Å; W11-M15 HydrophobicContact CZ2-CG 3.75Å; W11-M15 HydrophobicContact CZ2-SD 3.92Å; W11-M15 PolarHBondContact NE1-SD 2.9Å; W11-M15 VanDerWaalsContact NE1-SD 3.38Å; W11-M15 WeakPolarHBondContact O-CG 3.23Å; W11-M15 PolarHBondContact O-N 3Å; W11-I23 HydrophobicContact CH2-CG2 3.8Å; W11-I23 HydrophobicContact CZ2-CG2 3.66Å; W11-V26 HydrophobicContact CZ3-CG1 4.43Å; W11-R27 HydrophobicContact CH2-CB 3.56Å; W11-R27 HydrophobicContact CH2-CG 4.31Å; W11-R27 HydrophobicContact CZ2-CB 4.08Å; W11-R27 HydrophobicContact CZ2-CG 4.43Å; W11-R27 HydrophobicContact CZ3-CB 4.2Å; W11-I30 HydrophobicContact CE3-CD1 4.5Å; W11-I30 HydrophobicContact CZ3-CD1 4.26Å; W11-I35 HydrophobicContact CB-CG1 4.44Å; W11-I35 HydrophobicContact CB-CG2 4.33Å; W11-I35 HydrophobicContact CD2-CB 4.44Å; W11-I35 HydrophobicContact CD2-CD1 3.78Å; W11-I35 HydrophobicContact CD2-CG1 3.91Å; W11-I35 HydrophobicContact CD2-CG2 3.65Å; W11-I35 HydrophobicContact CE3-CD1 3.35Å; W11-I35 HydrophobicContact CE3-CG1 3.83Å; W11-I35 HydrophobicContact CE3-CG2 4.4Å; W11-I35 HydrophobicContact CG-CB 4.46Å; W11-I35 HydrophobicContact CG-CG1 4.17Å; W11-I35 HydrophobicContact CG-CG2 3.56Å; W11-I35 HydrophobicContact CH2-CD1 4.09Å; W11-I35 HydrophobicContact CZ2-CD1 4.42Å; W11-I35 HydrophobicContact CZ2-CG2 4.49Å; W11-I35 HydrophobicContact CZ3-CD1 3.53Å; W11-I35 HydrophobicContact CZ3-CG1 4.48Å
12E92.4Very high83Confident44 Ų4454.4 Ų54.421%0.20630%0.298CS..Hα-helixtrans-67.2-33.5176.6-67.3169.2161.200111.6R8 L9 I10 M15 S16 K42R8-E12 VanDerWaalsContact CA-OE2 3.31Å; R8-E12 WeakPolarHBondContact CA-OE2 3.35Å; R8-E12 HydrophobicContact CG-CB 3.56Å; R8-E12 WeakPolarHBondContact CG-OE2 3.18Å; R8-E12 VanDerWaalsContact CZ-O 3.31Å; R8-E12 PolarHBondContact NE-O 3.38Å; R8-E12 PolarHBondContact NH2-O 3.45Å; L9-E12 HydrophobicContact CB-CB 4.37Å; L9-E12 HydrophobicContact CB-CG 4.06Å; L9-E12 PolarHBondContact N-OE2 3.27Å; L9-E12 WeakPolarHBondContact O-CA 3.47Å; L9-E12 WeakPolarHBondContact O-CB 3.48Å; L9-E12 PolarHBondContact O-N 3.24Å; I10-E12 VanDerWaalsContact C-N 3.28Å; I10-E12 PolarHBondContact O-N 3.13Å; E12-M15 HydrophobicContact CB-CE 4.4Å; E12-M15 HydrophobicContact CG-CE 4.06Å; E12-M15 PolarHBondContact O-N 3.28Å; E12-S16 PolarHBondContact O-N 3.32Å; E12-K42 IonicContact OE1-NZ 2.84Å; E12-K42 PolarHBondContact OE1-NZ 2.91Å; E12-K42 IonicContact OE2-NZ 2.67Å; E12-K42 PolarHBondContact OE2-NZ 3.45Å
13Q92.5Very high84.9Confident27 Ų2756.4 Ų56.413%0.12631%0.308CS..Hα-helixtrans-64.9-45.6174.1-62.3171.32000111R8 L9 I10 W11 M15 S16 S17 V72R8-Q13 HydrophobicContact CG-CG 4.18Å; R8-Q13 PolarHBondContact O-NE2 2.85Å; L9-Q13 PolarHBondContact O-N 3.4Å; I10-Q13 WeakPolarHBondContact O-CB 3.47Å; I10-Q13 PolarHBondContact O-N 2.91Å; I10-Q13 VanDerWaalsContact O-N 3.08Å; W11-Q13 VanDerWaalsContact C-N 3.31Å; W11-Q13 PolarHBondContact O-N 3.08Å; Q13-M15 VanDerWaalsContact C-N 3.3Å; Q13-M15 PolarHBondContact O-N 3.23Å; Q13-S16 PolarHBondContact O-N 3.39Å; Q13-S16 PolarHBondContact O-OG 3.1Å; Q13-S17 PolarHBondContact O-N 3.37Å; Q13-S17 VanDerWaalsContact O-N 3.16Å; Q13-S17 PolarHBondContact O-OG 3.44Å; Q13-V72 HydrophobicContact CB-CG1 4.13Å
14I93.5Very high86.9Confident1 Ų158.7 Ų58.71%0.00531%0.31CS..Hα-helixtrans-60.1-41.7176.9-65.6167.7000111I10 W11 S16 S17 L18 V26 I30 V72 I112I10-I14 HydrophobicContact CG2-CD1 3.93Å; I10-I14 HydrophobicContact CG2-CG1 4.49Å; I10-I14 WeakPolarHBondContact O-CG1 3.47Å; I10-I14 PolarHBondContact O-N 3.48Å; W11-I14 HydrophobicContact CE3-CB 4.29Å; W11-I14 HydrophobicContact CE3-CD1 4.39Å; W11-I14 HydrophobicContact CE3-CG2 4.26Å; W11-I14 HydrophobicContact CZ3-CB 4.48Å; W11-I14 HydrophobicContact CZ3-CG2 3.97Å; W11-I14 PolarHBondContact O-N 3.27Å; I14-S16 PolarHBondContact O-N 3.03Å; I14-S17 WeakPolarHBondContact CA-OG 3.4Å; I14-S17 PolarHBondContact O-N 3.44Å; I14-S17 PolarHBondContact O-OG 3.28Å; I14-L18 HydrophobicContact CG2-CD1 3.74Å; I14-L18 PolarHBondContact O-N 3.04Å; I14-V26 HydrophobicContact CG2-CG1 3.8Å; I14-I30 HydrophobicContact CD1-CD1 3.49Å; I14-I30 VanDerWaalsContact CD1-CD1 3.49Å; I14-I30 HydrophobicContact CG2-CD1 4.37Å; I14-V72 HydrophobicContact CB-CG1 4.42Å; I14-V72 HydrophobicContact CG1-CB 4.48Å; I14-V72 HydrophobicContact CG1-CG1 3.64Å; I14-V72 HydrophobicContact CG1-CG2 4.04Å; I14-I112 HydrophobicContact CD1-CG2 3.6Å
15M93.2Very high88.5Confident69 Ų6957.2 Ų57.234%0.3429%0.291SS..Hα-helixtrans-64.2-25.2176.3-72.7-168-64.100113.5W11 E12 Q13 I23W11-M15 HydrophobicContact CD2-CG 4.27Å; W11-M15 HydrophobicContact CG-CE 4.48Å; W11-M15 HydrophobicContact CH2-CG 4.28Å; W11-M15 HydrophobicContact CZ2-CG 3.75Å; W11-M15 HydrophobicContact CZ2-SD 3.92Å; W11-M15 PolarHBondContact NE1-SD 2.9Å; W11-M15 VanDerWaalsContact NE1-SD 3.38Å; W11-M15 WeakPolarHBondContact O-CG 3.23Å; W11-M15 PolarHBondContact O-N 3Å; E12-M15 HydrophobicContact CB-CE 4.4Å; E12-M15 HydrophobicContact CG-CE 4.06Å; E12-M15 PolarHBondContact O-N 3.28Å; Q13-M15 VanDerWaalsContact C-N 3.3Å; Q13-M15 PolarHBondContact O-N 3.23Å; M15-I23 HydrophobicContact CB-CD1 4.48Å; M15-I23 HydrophobicContact CG-CD1 4.31Å; M15-I23 HydrophobicContact CG-CG2 4.2Å; M15-I23 HydrophobicContact SD-CG2 4.42Å
16S91.7Very high89.9Confident70 Ų7050.9 Ų50.949%0.4927%0.268SS..Hα-helixtrans-83.3-25.8172.643.70000114.7R8 E12 Q13 I14 L18R8-S16 PolarHBondContact NH1-OG 3.43Å; R8-S16 PolarHBondContact NH2-OG 3.47Å; E12-S16 PolarHBondContact O-N 3.32Å; Q13-S16 PolarHBondContact O-N 3.39Å; Q13-S16 PolarHBondContact O-OG 3.1Å; I14-S16 PolarHBondContact O-N 3.03Å; S16-L18 VanDerWaalsContact C-N 3.33Å
17S92.1Very high90.8Very high38 Ų3852.5 Ų52.527%0.26627%0.273SS..Hα-helixtrans-84.4-12.5-177.8560000112.6Q13 I14 S76Q13-S17 PolarHBondContact O-N 3.37Å; Q13-S17 VanDerWaalsContact O-N 3.16Å; Q13-S17 PolarHBondContact O-OG 3.44Å; I14-S17 WeakPolarHBondContact CA-OG 3.4Å; I14-S17 PolarHBondContact O-N 3.44Å; I14-S17 PolarHBondContact O-OG 3.28Å; S17-S76 VanDerWaalsContact CB-OG 3.31Å; S17-S76 WeakPolarHBondContact CB-OG 3.34Å; S17-S76 PolarHBondContact OG-OG 2.95Å
18L92.3Very high91.7Very high10 Ų1052.7 Ų52.75%0.05228%0.275CS..SBendtrans-118.4142.6-175.3-69.7171.4000113.1I14 S16 V26 Y79 L80I14-L18 HydrophobicContact CG2-CD1 3.74Å; I14-L18 PolarHBondContact O-N 3.04Å; S16-L18 VanDerWaalsContact C-N 3.33Å; L18-V26 HydrophobicContact CD1-CB 3.97Å; L18-V26 HydrophobicContact CD1-CG1 3.82Å; L18-V26 HydrophobicContact CD1-CG2 3.61Å; L18-Y79 HydrophobicContact CD2-CD1 4.05Å; L18-L80 HydrophobicContact CD2-CD1 4.24Å; L18-L80 HydrophobicContact CD2-CD2 4.21Å; L18-L80 HydrophobicContact CD2-CG 4.01Å
19P91.8Very high91.9Very high55 Ų5549.1 Ų49.136%0.35726%0.264SS..  trans-58.3144.7168.5-23.132.9000112.1V21 H22 L80P19-V21 HydrophobicContact CB-CG1 4.1Å; P19-V21 PolarHBondContact O-N 3.14Å; P19-H22 PolarHBondContact O-N 2.84Å; P19-L80 HydrophobicContact CG-CD2 4.49Å
20P90.7Very high92.1Very high110 Ų11048.9 Ų48.971%0.71426%0.263SS*.G310 helixtrans-54.3-31.4-175.8-30.235.8000115.7H22 I23P20-H22 PolarHBondContact O-N 3.17Å; P20-I23 HydrophobicContact CB-CD1 4.36Å; P20-I23 PolarHBondContact O-N 2.73Å
21V90.4Very high92Very high117 Ų11749.1 Ų49.171%0.70927%0.267SS*.G310 helixtrans-61.5-25.517958.10000113.4P19P19-V21 HydrophobicContact CB-CG1 4.1Å; P19-V21 PolarHBondContact O-N 3.14Å
22H89.5Confident91.9Very high39 Ų3952.6 Ų52.618%0.18128%0.283CS..G310 helixtrans-96.6-10.2-177.8-63-62.2000114P19 P20 Y24 E25 V26 Y79P19-H22 PolarHBondContact O-N 2.84Å; P20-H22 PolarHBondContact O-N 3.17Å; H22-Y24 VanDerWaalsContact C-N 3.32Å; H22-Y24 PolarHBondContact O-N 2.83Å; H22-E25 PolarHBondContact O-N 3.2Å; H22-V26 WeakPolarHBondContact O-CG2 2.97Å; H22-V26 PolarHBondContact O-N 3.01Å; H22-Y79 HydrophobicContact CB-CE1 3.75Å; H22-Y79 AromaticContact CG-CE1 3.82Å; H22-Y79 AromaticContact ND1-CE1 3.86Å
23I91Very high92Very high44 Ų4455.2 Ų55.223%0.22630%0.299CS..Hα-helixtrans-58.6-44-172.1-67.1178.3000111.4W11 M15 P20 R27W11-I23 HydrophobicContact CH2-CG2 3.8Å; W11-I23 HydrophobicContact CZ2-CG2 3.66Å; M15-I23 HydrophobicContact CB-CD1 4.48Å; M15-I23 HydrophobicContact CG-CD1 4.31Å; M15-I23 HydrophobicContact CG-CG2 4.2Å; M15-I23 HydrophobicContact SD-CG2 4.42Å; P20-I23 HydrophobicContact CB-CD1 4.36Å; P20-I23 PolarHBondContact O-N 2.73Å; I23-R27 VanDerWaalsContact O-CB 3.26Å; I23-R27 WeakPolarHBondContact O-CB 3.41Å; I23-R27 PolarHBondContact O-N 3.3Å
24Y91.7Very high92Very high159 Ų15954.9 Ų54.962%0.62430%0.298SS*.Hα-helixtrans-65.7-44.7-179-178.8-97.9000112.3H22 R27 C28H22-Y24 VanDerWaalsContact C-N 3.32Å; H22-Y24 PolarHBondContact O-N 2.83Å; Y24-R27 WeakPolarHBondContact O-CB 3.48Å; Y24-R27 PolarHBondContact O-N 2.92Å; Y24-C28 PolarHBondContact O-N 2.91Å; Y24-C28 PolarHBondContact O-SG 3.16Å; Y24-C28 VanDerWaalsContact O-SG 3.34Å
25E90Very high92Very high78 Ų7854.9 Ų54.936%0.36430%0.297SS..Hα-helixtrans-63.9-45.3179.1-175.6176.3-177.800111.1H22 R27 C28 I29 Y79 R86H22-E25 PolarHBondContact O-N 3.2Å; E25-R27 VanDerWaalsContact C-N 3.33Å; E25-R27 PolarHBondContact O-N 3.25Å; E25-C28 WeakPolarHBondContact O-CB 3.49Å; E25-C28 PolarHBondContact O-N 2.99Å; E25-I29 HydrophobicContact CG-CD1 4.04Å; E25-I29 WeakPolarHBondContact O-CG1 3.43Å; E25-I29 PolarHBondContact O-N 3.06Å; E25-Y79 WeakPolarHBondContact CB-OH 3.39Å; E25-Y79 VanDerWaalsContact CG-OH 3.25Å; E25-Y79 WeakPolarHBondContact CG-OH 3.23Å; E25-Y79 PolarHBondContact OE2-OH 3.01Å; E25-R86 IonicContact OE1-NH1 3.98Å
26V92.5Very high92.1Very high0 Ų054.7 Ų54.70%030%0.298CS..Hα-helixtrans-64.4-37.6176.9171.80000112W11 I14 L18 H22 C28 I29 I30 F75 Y79W11-V26 HydrophobicContact CZ3-CG1 4.43Å; I14-V26 HydrophobicContact CG2-CG1 3.8Å; L18-V26 HydrophobicContact CD1-CB 3.97Å; L18-V26 HydrophobicContact CD1-CG1 3.82Å; L18-V26 HydrophobicContact CD1-CG2 3.61Å; H22-V26 WeakPolarHBondContact O-CG2 2.97Å; H22-V26 PolarHBondContact O-N 3.01Å; V26-C28 VanDerWaalsContact C-N 3.33Å; V26-C28 PolarHBondContact O-N 3.14Å; V26-I29 PolarHBondContact O-N 2.74Å; V26-I30 HydrophobicContact CG1-CD1 3.57Å; V26-I30 HydrophobicContact CG1-CG1 4.21Å; V26-I30 WeakPolarHBondContact O-CB 3.31Å; V26-I30 WeakPolarHBondContact O-CG1 3.4Å; V26-I30 PolarHBondContact O-N 3.18Å; V26-F75 HydrophobicContact CG1-CE1 3.73Å; V26-F75 HydrophobicContact CG1-CZ 3.99Å; V26-Y79 HydrophobicContact CG2-CD1 3.85Å; V26-Y79 HydrophobicContact CG2-CD2 3.91Å; V26-Y79 HydrophobicContact CG2-CE1 3.57Å; V26-Y79 HydrophobicContact CG2-CE2 3.6Å; V26-Y79 HydrophobicContact CG2-CG 4Å; V26-Y79 VanDerWaalsContact CG2-CZ 3.4Å
27R93.9Very high92.3Very high48 Ų4854.4 Ų54.418%0.18129%0.289CS..Hα-helixtrans-57-46.2172.2176.6169.4166.9129.2-2.2111.5W11 I23 Y24 E25 I30 G31 E32 I35 D36W11-R27 HydrophobicContact CH2-CB 3.56Å; W11-R27 HydrophobicContact CH2-CG 4.31Å; W11-R27 HydrophobicContact CZ2-CB 4.08Å; W11-R27 HydrophobicContact CZ2-CG 4.43Å; W11-R27 HydrophobicContact CZ3-CB 4.2Å; I23-R27 VanDerWaalsContact O-CB 3.26Å; I23-R27 WeakPolarHBondContact O-CB 3.41Å; I23-R27 PolarHBondContact O-N 3.3Å; Y24-R27 WeakPolarHBondContact O-CB 3.48Å; Y24-R27 PolarHBondContact O-N 2.92Å; E25-R27 VanDerWaalsContact C-N 3.33Å; E25-R27 PolarHBondContact O-N 3.25Å; R27-I30 PolarHBondContact O-N 3.21Å; R27-G31 CarbonylContact O-C 3.58Å; R27-G31 PolarHBondContact O-N 3.07Å; R27-E32 HydrophobicContact CG-CB 4.33Å; R27-E32 IonicContact CZ-OE1 3.34Å; R27-E32 IonicContact NE-OE1 2.81Å; R27-E32 PolarHBondContact NE-OE1 3.46Å; R27-E32 VanDerWaalsContact NE-OE1 3.08Å; R27-E32 IonicContact NH2-OE1 2.62Å; R27-E32 PolarHBondContact NH2-OE1 3.44Å; R27-E32 PolarHBondContact O-N 3.1Å; R27-I35 HydrophobicContact CB-CD1 4.06Å; R27-I35 HydrophobicContact CG-CD1 3.73Å; R27-D36 IonicContact CZ-OD1 3.08Å; R27-D36 IonicContact NH1-OD1 3.44Å; R27-D36 PolarHBondContact NH1-OD1 3.42Å; R27-D36 IonicContact NH2-OD1 3.98Å; R27-D36 PolarHBondContact NH2-OD1 3.49Å; R27-D36 IonicContact NH2-OD2 2.91Å; R27-D36 PolarHBondContact NH2-OD2 2.99Å; R27-D36 VanDerWaalsContact NH2-OD2 3.13Å
28C92.4Very high92.3Very high58 Ų5852.6 Ų52.639%0.39228%0.276SS..Hα-helixtrans-64.8-40.5176.5-64.30000112.4Y24 E25 V26Y24-C28 PolarHBondContact O-N 2.91Å; Y24-C28 PolarHBondContact O-SG 3.16Å; Y24-C28 VanDerWaalsContact O-SG 3.34Å; E25-C28 WeakPolarHBondContact O-CB 3.49Å; E25-C28 PolarHBondContact O-N 2.99Å; V26-C28 VanDerWaalsContact C-N 3.33Å; V26-C28 PolarHBondContact O-N 3.14Å
29I91.1Very high92.3Very high49 Ų4955 Ų5525%0.25129%0.289SS..Hα-helixtrans-64.1-43.2178.4-70.6165.6000110.8E25 V26 Y79 T109 R113E25-I29 HydrophobicContact CG-CD1 4.04Å; E25-I29 WeakPolarHBondContact O-CG1 3.43Å; E25-I29 PolarHBondContact O-N 3.06Å; V26-I29 PolarHBondContact O-N 2.74Å; I29-Y79 HydrophobicContact CD1-CD2 4.17Å; I29-Y79 HydrophobicContact CD1-CE2 3.53Å; I29-T109 HydrophobicContact CG2-CG2 3.61Å; I29-R113 PolarHBondContact O-NE 3.4Å; I29-R113 PolarHBondContact O-NH2 3.04Å
30I93.2Very high92.4Very high0 Ų056.2 Ų56.20%029%0.29CS..Hα-helixtrans-72.6-40.9-179.4-69.4171.4000111W11 I14 V26 R27 I35 F75 I112 R113 I116W11-I30 HydrophobicContact CE3-CD1 4.5Å; W11-I30 HydrophobicContact CZ3-CD1 4.26Å; I14-I30 HydrophobicContact CD1-CD1 3.49Å; I14-I30 VanDerWaalsContact CD1-CD1 3.49Å; I14-I30 HydrophobicContact CG2-CD1 4.37Å; V26-I30 HydrophobicContact CG1-CD1 3.57Å; V26-I30 HydrophobicContact CG1-CG1 4.21Å; V26-I30 WeakPolarHBondContact O-CB 3.31Å; V26-I30 WeakPolarHBondContact O-CG1 3.4Å; V26-I30 PolarHBondContact O-N 3.18Å; R27-I30 PolarHBondContact O-N 3.21Å; I30-I35 HydrophobicContact CB-CD1 4.16Å; I30-I35 HydrophobicContact CG2-CD1 4.03Å; I30-I35 HydrophobicContact CG2-CG1 4.32Å; I30-F75 HydrophobicContact CD1-CE1 4.34Å; I30-F75 HydrophobicContact CD1-CZ 4.48Å; I30-F75 HydrophobicContact CG1-CZ 4.47Å; I30-I112 HydrophobicContact CD1-CG2 3.97Å; I30-I112 HydrophobicContact CG1-CG2 4.3Å; I30-I112 HydrophobicContact CG2-CG2 4.5Å; I30-R113 HydrophobicContact CG2-CG 4.33Å; I30-R113 WeakPolarHBondContact O-CD 3.4Å; I30-R113 WeakPolarHBondContact O-CG 3.43Å; I30-R113 PolarHBondContact O-NE 2.88Å; I30-I116 HydrophobicContact CG2-CD1 3.37Å
31G92.3Very high92.4Very high9 Ų951.7 Ų51.79%0.09326%0.26CS..  trans122.8103.2-174.700000109.5R27 D33 L34 I35R27-G31 CarbonylContact O-C 3.58Å; R27-G31 PolarHBondContact O-N 3.07Å; G31-D33 VanDerWaalsContact C-N 3.26Å; G31-D33 PolarHBondContact O-N 2.97Å; G31-L34 PolarHBondContact O-N 3.24Å; G31-I35 PolarHBondContact O-N 3.45Å
32E92.3Very high92.4Very high80 Ų8047.2 Ų47.237%0.37423%0.23SC..Hα-helixtrans-59.3-39.4-178.4173.3158.3-133.800112.1R27 L34 I35 D36R27-E32 HydrophobicContact CG-CB 4.33Å; R27-E32 IonicContact CZ-OE1 3.34Å; R27-E32 IonicContact NE-OE1 2.81Å; R27-E32 PolarHBondContact NE-OE1 3.46Å; R27-E32 VanDerWaalsContact NE-OE1 3.08Å; R27-E32 IonicContact NH2-OE1 2.62Å; R27-E32 PolarHBondContact NH2-OE1 3.44Å; R27-E32 PolarHBondContact O-N 3.1Å; E32-L34 VanDerWaalsContact C-N 3.3Å; E32-L34 PolarHBondContact O-N 3.32Å; E32-I35 PolarHBondContact O-N 2.98Å; E32-D36 WeakPolarHBondContact CG-OD2 3.17Å; E32-D36 WeakPolarHBondContact O-CB 3.13Å; E32-D36 PolarHBondContact O-N 2.94Å
33D93.2Very high92.3Very high98 Ų9848.8 Ų48.852%0.52425%0.246SC..Hα-helixtrans-62.5-34.5178.364.3-59.2000113.1G31 Q37G31-D33 VanDerWaalsContact C-N 3.26Å; G31-D33 PolarHBondContact O-N 2.97Å; D33-Q37 WeakPolarHBondContact O-CB 3.2Å; D33-Q37 WeakPolarHBondContact O-CG 3.44Å; D33-Q37 PolarHBondContact O-N 3.47Å; D33-Q37 VanDerWaalsContact O-N 3.15Å; D33-Q37 PolarHBondContact O-NE2 3.43Å
34L94.2Very high92.2Very high21 Ų2148.4 Ų48.411%0.1124%0.243CC..Hα-helixtrans-71.8-44.7176.7-61-179.9000110.6G31 E32 Q37 T38 R113 I116 L117 I120G31-L34 PolarHBondContact O-N 3.24Å; E32-L34 VanDerWaalsContact C-N 3.3Å; E32-L34 PolarHBondContact O-N 3.32Å; L34-Q37 PolarHBondContact O-N 2.77Å; L34-T38 PolarHBondContact O-N 3.45Å; L34-T38 VanDerWaalsContact O-N 3.08Å; L34-R113 HydrophobicContact CD1-CB 4.49Å; L34-R113 HydrophobicContact CD1-CG 4.34Å; L34-I116 HydrophobicContact CB-CG2 3.81Å; L34-L117 HydrophobicContact CD1-CG 4.47Å; L34-L117 HydrophobicContact CD2-CD2 3.61Å; L34-L117 HydrophobicContact CD2-CG 4.28Å; L34-I120 HydrophobicContact CB-CD1 4.29Å; L34-I120 HydrophobicContact CD2-CD1 4.04Å
35I93.5Very high91.9Very high0 Ų040.9 Ų40.90%021%0.214CC..Hα-helixtrans-63.5-46.8179-70.3162.4000110.2W11 R27 I30 G31 E32 Q37 T38 L39W11-I35 HydrophobicContact CB-CG1 4.44Å; W11-I35 HydrophobicContact CB-CG2 4.33Å; W11-I35 HydrophobicContact CD2-CB 4.44Å; W11-I35 HydrophobicContact CD2-CD1 3.78Å; W11-I35 HydrophobicContact CD2-CG1 3.91Å; W11-I35 HydrophobicContact CD2-CG2 3.65Å; W11-I35 HydrophobicContact CE3-CD1 3.35Å; W11-I35 HydrophobicContact CE3-CG1 3.83Å; W11-I35 HydrophobicContact CE3-CG2 4.4Å; W11-I35 HydrophobicContact CG-CB 4.46Å; W11-I35 HydrophobicContact CG-CG1 4.17Å; W11-I35 HydrophobicContact CG-CG2 3.56Å; W11-I35 HydrophobicContact CH2-CD1 4.09Å; W11-I35 HydrophobicContact CZ2-CD1 4.42Å; W11-I35 HydrophobicContact CZ2-CG2 4.49Å; W11-I35 HydrophobicContact CZ3-CD1 3.53Å; W11-I35 HydrophobicContact CZ3-CG1 4.48Å; R27-I35 HydrophobicContact CB-CD1 4.06Å; R27-I35 HydrophobicContact CG-CD1 3.73Å; I30-I35 HydrophobicContact CB-CD1 4.16Å; I30-I35 HydrophobicContact CG2-CD1 4.03Å; I30-I35 HydrophobicContact CG2-CG1 4.32Å; G31-I35 PolarHBondContact O-N 3.45Å; E32-I35 PolarHBondContact O-N 2.98Å; I35-Q37 VanDerWaalsContact C-N 3.32Å; I35-Q37 PolarHBondContact O-N 3.32Å; I35-T38 PolarHBondContact O-N 3.41Å; I35-T38 VanDerWaalsContact O-N 3.14Å; I35-T38 PolarHBondContact O-OG1 3.35Å; I35-L39 HydrophobicContact CG2-CD1 4Å; I35-L39 WeakPolarHBondContact O-CG 3.27Å; I35-L39 PolarHBondContact O-N 3.37Å
36D94.9Very high91.6Very high65 Ų6537.8 Ų37.835%0.34820%0.2SC..Hα-helixtrans-62.4-40.7178.8-74.6-22000111.9R27 E32 T38 L39 E40R27-D36 IonicContact CZ-OD1 3.08Å; R27-D36 IonicContact NH1-OD1 3.44Å; R27-D36 PolarHBondContact NH1-OD1 3.42Å; R27-D36 IonicContact NH2-OD1 3.98Å; R27-D36 PolarHBondContact NH2-OD1 3.49Å; R27-D36 IonicContact NH2-OD2 2.91Å; R27-D36 PolarHBondContact NH2-OD2 2.99Å; R27-D36 VanDerWaalsContact NH2-OD2 3.13Å; E32-D36 WeakPolarHBondContact CG-OD2 3.17Å; E32-D36 WeakPolarHBondContact O-CB 3.13Å; E32-D36 PolarHBondContact O-N 2.94Å; D36-T38 VanDerWaalsContact C-N 3.35Å; D36-T38 PolarHBondContact O-N 2.98Å; D36-L39 PolarHBondContact O-N 3.45Å; D36-E40 VanDerWaalsContact O-CB 3.25Å; D36-E40 WeakPolarHBondContact O-CB 3.46Å; D36-E40 PolarHBondContact O-N 3.48Å
37Q94.9Very high91.2Very high65 Ų6539 Ų3930%0.30421%0.209SC..Hα-helixtrans-59-43173.4-80.917572.200112.6D33 L34 I35 L41 I120D33-Q37 WeakPolarHBondContact O-CB 3.2Å; D33-Q37 WeakPolarHBondContact O-CG 3.44Å; D33-Q37 PolarHBondContact O-N 3.47Å; D33-Q37 VanDerWaalsContact O-N 3.15Å; D33-Q37 PolarHBondContact O-NE2 3.43Å; L34-Q37 PolarHBondContact O-N 2.77Å; I35-Q37 VanDerWaalsContact C-N 3.32Å; I35-Q37 PolarHBondContact O-N 3.32Å; Q37-L41 WeakPolarHBondContact O-CB 3.37Å; Q37-L41 WeakPolarHBondContact O-CD1 3.42Å; Q37-L41 VanDerWaalsContact O-CG 3.25Å; Q37-L41 WeakPolarHBondContact O-CG 3.49Å; Q37-L41 PolarHBondContact O-N 3.08Å; Q37-I120 HydrophobicContact CB-CD1 4Å; Q37-I120 HydrophobicContact CB-CG1 4.38Å
38T92.8Very high90.6Very high0 Ų037 Ų370%020%0.202CC..Hα-helixtrans-64.2-43.2177.356.80000112.6L34 I35 D36 K42 I116 I120L34-T38 PolarHBondContact O-N 3.45Å; L34-T38 VanDerWaalsContact O-N 3.08Å; I35-T38 PolarHBondContact O-N 3.41Å; I35-T38 VanDerWaalsContact O-N 3.14Å; I35-T38 PolarHBondContact O-OG1 3.35Å; D36-T38 VanDerWaalsContact C-N 3.35Å; D36-T38 PolarHBondContact O-N 2.98Å; T38-K42 WeakPolarHBondContact O-CB 3.49Å; T38-K42 PolarHBondContact O-N 2.98Å; T38-I116 HydrophobicContact CG2-CG2 3.77Å; T38-I120 HydrophobicContact CG2-CD1 4.13Å; T38-I120 HydrophobicContact CG2-CG1 3.42Å; T38-I120 VanDerWaalsContact CG2-CG1 3.42Å
39L92.7Very high90.1Very high60 Ų6034.5 Ų34.531%0.31418%0.184SC..Hα-helixtrans-66.7-41.3179.7-68.5173.3000111.6L9 I35 D36 K42 S43L9-L39 HydrophobicContact CD1-CD2 3.95Å; I35-L39 HydrophobicContact CG2-CD1 4Å; I35-L39 WeakPolarHBondContact O-CG 3.27Å; I35-L39 PolarHBondContact O-N 3.37Å; D36-L39 PolarHBondContact O-N 3.45Å; L39-K42 PolarHBondContact O-N 3.44Å; L39-S43 WeakPolarHBondContact O-CB 3.36Å; L39-S43 PolarHBondContact O-N 3.29Å
40E92.4Very high89.6Confident81 Ų8137.4 Ų37.438%0.37920%0.197SC..Hα-helixtrans-62.2-50.9175.8180170-147.500111.4D36 K42 S43 E44 Y352D36-E40 VanDerWaalsContact O-CB 3.25Å; D36-E40 WeakPolarHBondContact O-CB 3.46Å; D36-E40 PolarHBondContact O-N 3.48Å; E40-K42 VanDerWaalsContact C-N 3.32Å; E40-K42 PolarHBondContact O-N 3.43Å; E40-S43 WeakPolarHBondContact O-CB 3.46Å; E40-S43 PolarHBondContact O-N 3.42Å; E40-S43 VanDerWaalsContact O-N 3.17Å; E40-E44 PolarHBondContact O-N 3.27Å; E40-Y352 WeakPolarHBondContact OE1-CE1 3.36Å; E40-Y352 PolarHBondContact OE1-OH 2.84Å
41L92.3Very high88.7Confident15 Ų1540.1 Ų40.18%0.07921%0.211CC..Hα-helixtrans-59.6-42.4177.5-74.2166.6000111.8Q37 S43 E44 I45 I120 L123 K124 L127Q37-L41 WeakPolarHBondContact O-CB 3.37Å; Q37-L41 WeakPolarHBondContact O-CD1 3.42Å; Q37-L41 VanDerWaalsContact O-CG 3.25Å; Q37-L41 WeakPolarHBondContact O-CG 3.49Å; Q37-L41 PolarHBondContact O-N 3.08Å; L41-S43 PolarHBondContact O-N 2.85Å; L41-E44 PolarHBondContact O-N 2.96Å; L41-I45 WeakPolarHBondContact O-CD1 3.18Å; L41-I45 VanDerWaalsContact O-CG1 3.23Å; L41-I45 WeakPolarHBondContact O-CG1 3.37Å; L41-I45 PolarHBondContact O-N 2.81Å; L41-I120 HydrophobicContact CD1-CB 4.48Å; L41-I120 HydrophobicContact CD1-CG2 3.94Å; L41-L123 HydrophobicContact CB-CB 4.04Å; L41-L123 HydrophobicContact CB-CD1 4.18Å; L41-L123 HydrophobicContact CD1-CB 4.04Å; L41-K124 HydrophobicContact CD1-CG 3.83Å; L41-K124 HydrophobicContact CD2-CG 3.82Å; L41-L127 HydrophobicContact CD2-CD2 4.16Å
42K89.9Confident87.7Confident22 Ų2240.1 Ų40.110%0.09621%0.21CC..Hα-helixtrans-60.8-45.6176-177.6169.4-178.5174.10111.4L6 L9 E12 T38 L39 E40 E44 I45 V46L6-K42 HydrophobicContact CD1-CG 3.99Å; L9-K42 HydrophobicContact CD1-CB 4.18Å; L9-K42 HydrophobicContact CD1-CD 3.55Å; L9-K42 HydrophobicContact CD2-CD 4.07Å; L9-K42 HydrophobicContact CG-CD 3.7Å; E12-K42 IonicContact OE1-NZ 2.84Å; E12-K42 PolarHBondContact OE1-NZ 2.91Å; E12-K42 IonicContact OE2-NZ 2.67Å; E12-K42 PolarHBondContact OE2-NZ 3.45Å; T38-K42 WeakPolarHBondContact O-CB 3.49Å; T38-K42 PolarHBondContact O-N 2.98Å; L39-K42 PolarHBondContact O-N 3.44Å; E40-K42 VanDerWaalsContact C-N 3.32Å; E40-K42 PolarHBondContact O-N 3.43Å; K42-E44 VanDerWaalsContact C-N 3.31Å; K42-E44 PolarHBondContact O-N 3.38Å; K42-I45 PolarHBondContact O-N 3.23Å; K42-V46 VanDerWaalsContact O-CG2 3.28Å; K42-V46 WeakPolarHBondContact O-CG2 3.28Å; K42-V46 PolarHBondContact O-N 3.27Å
43S88.2Confident86.5Confident73 Ų7341.1 Ų41.151%0.5122%0.218SC..Hα-helixtrans-61.1-40.2175.9-175.60000112.2L39 E40 L41 V46 S47L39-S43 WeakPolarHBondContact O-CB 3.36Å; L39-S43 PolarHBondContact O-N 3.29Å; E40-S43 WeakPolarHBondContact O-CB 3.46Å; E40-S43 PolarHBondContact O-N 3.42Å; E40-S43 VanDerWaalsContact O-N 3.17Å; L41-S43 PolarHBondContact O-N 2.85Å; S43-V46 PolarHBondContact O-N 2.9Å; S43-S47 PolarHBondContact O-N 3.09Å; S43-S47 PolarHBondContact O-OG 2.86Å
44E86.8Confident84.9Confident36 Ų3639.6 Ų39.617%0.16821%0.21CC..Hα-helixtrans-64-49.1176.6-171.4176.3172.900111.6E40 L41 K42 V46 S47 V48 L127 A355E40-E44 PolarHBondContact O-N 3.27Å; L41-E44 PolarHBondContact O-N 2.96Å; K42-E44 VanDerWaalsContact C-N 3.31Å; K42-E44 PolarHBondContact O-N 3.38Å; E44-V46 VanDerWaalsContact C-N 3.34Å; E44-V46 PolarHBondContact O-N 2.86Å; E44-S47 WeakPolarHBondContact O-CB 3.39Å; E44-S47 PolarHBondContact O-N 2.87Å; E44-S47 VanDerWaalsContact O-N 3.13Å; E44-V48 WeakPolarHBondContact O-CG2 3.19Å; E44-V48 PolarHBondContact O-N 2.79Å; E44-L127 HydrophobicContact CB-CD2 4.47Å; E44-L127 HydrophobicContact CG-CD1 4.01Å; E44-L127 HydrophobicContact CG-CD2 3.96Å; E44-L127 WeakPolarHBondContact OE1-CD2 3.46Å; E44-L127 WeakPolarHBondContact OE2-CD2 3.41Å; E44-A355 HydrophobicContact CG-CB 4.46Å; E44-A355 VanDerWaalsContact OE1-CB 3.25Å; E44-A355 WeakPolarHBondContact OE1-CB 3.22Å
45I86.7Confident83Confident0 Ų045.6 Ų45.60%024%0.242CC..Hα-helixtrans-57.7-47.3177.4-69.1159.5000110.7L6 L41 K42 S47 V48 L49 L123 Y126 L127 I130L6-I45 HydrophobicContact CD1-CB 4.3Å; L6-I45 HydrophobicContact CD1-CG2 3.83Å; L6-I45 HydrophobicContact CD2-CG2 3.83Å; L6-I45 HydrophobicContact CG-CG2 4.41Å; L41-I45 WeakPolarHBondContact O-CD1 3.18Å; L41-I45 VanDerWaalsContact O-CG1 3.23Å; L41-I45 WeakPolarHBondContact O-CG1 3.37Å; L41-I45 PolarHBondContact O-N 2.81Å; K42-I45 PolarHBondContact O-N 3.23Å; I45-S47 VanDerWaalsContact C-N 3.29Å; I45-S47 PolarHBondContact O-N 3.34Å; I45-V48 PolarHBondContact O-N 2.67Å; I45-L49 HydrophobicContact CG2-CD1 3.81Å; I45-L49 HydrophobicContact CG2-CG 4.22Å; I45-L49 WeakPolarHBondContact O-CB 3.38Å; I45-L49 VanDerWaalsContact O-CG 3.28Å; I45-L49 WeakPolarHBondContact O-CG 3.34Å; I45-L49 PolarHBondContact O-N 3.22Å; I45-L123 HydrophobicContact CD1-CB 4.07Å; I45-L123 HydrophobicContact CD1-CD2 3.56Å; I45-L123 HydrophobicContact CD1-CG 4.41Å; I45-Y126 HydrophobicContact CD1-CD1 4.01Å; I45-Y126 HydrophobicContact CG1-CD1 4.32Å; I45-Y126 HydrophobicContact CG2-CD1 3.91Å; I45-Y126 HydrophobicContact CG2-CE1 3.68Å; I45-L127 HydrophobicContact CD1-CB 4.37Å; I45-L127 HydrophobicContact CG1-CB 3.83Å; I45-L127 HydrophobicContact CG1-CD1 3.97Å; I45-L127 HydrophobicContact CG1-CG 4.39Å; I45-I130 HydrophobicContact CG2-CD1 3.96Å
46V84.3Confident81.2Confident13 Ų1347.4 Ų47.48%0.07925%0.251CS..Hα-helixtrans-56.8-45.9176.8169.80000110.7A2 L3 L6 K42 S43 E44 V48 L49 E50A2-V46 HydrophobicContact CB-CG1 4.17Å; L3-V46 HydrophobicContact CD2-CG2 3.69Å; L3-V46 HydrophobicContact CG-CG1 4.3Å; L3-V46 HydrophobicContact CG-CG2 4.14Å; L6-V46 HydrophobicContact CD1-CG2 3.63Å; K42-V46 VanDerWaalsContact O-CG2 3.28Å; K42-V46 WeakPolarHBondContact O-CG2 3.28Å; K42-V46 PolarHBondContact O-N 3.27Å; S43-V46 PolarHBondContact O-N 2.9Å; E44-V46 VanDerWaalsContact C-N 3.34Å; E44-V46 PolarHBondContact O-N 2.86Å; V46-V48 PolarHBondContact O-N 3.03Å; V46-L49 PolarHBondContact O-N 3.22Å; V46-E50 HydrophobicContact CG1-CG 4.47Å; V46-E50 WeakPolarHBondContact O-CB 3.47Å; V46-E50 WeakPolarHBondContact O-CG 3.36Å; V46-E50 PolarHBondContact O-N 2.84Å
47S83.3Confident79.5Confident27 Ų2750.2 Ų50.219%0.18928%0.275CS..Hα-helixtrans-61.2-42.1178.9-57.80000112.4S43 E44 I45 L51 R359S43-S47 PolarHBondContact O-N 3.09Å; S43-S47 PolarHBondContact O-OG 2.86Å; E44-S47 WeakPolarHBondContact O-CB 3.39Å; E44-S47 PolarHBondContact O-N 2.87Å; E44-S47 VanDerWaalsContact O-N 3.13Å; I45-S47 VanDerWaalsContact C-N 3.29Å; I45-S47 PolarHBondContact O-N 3.34Å; S47-L51 WeakPolarHBondContact O-CG 3.41Å; S47-L51 PolarHBondContact O-N 3.33Å; S47-R359 PolarHBondContact OG-NH2 2.92Å; S47-R359 VanDerWaalsContact OG-NH2 3.14Å
48V82.2Confident77.9Confident4 Ų448.4 Ų48.42%0.02427%0.267CS..Hα-helixtrans-68.8-42.4179.3178.80000110.9E44 I45 V46 E50 L51 A52 L127 I130 L134E44-V48 WeakPolarHBondContact O-CG2 3.19Å; E44-V48 PolarHBondContact O-N 2.79Å; I45-V48 PolarHBondContact O-N 2.67Å; V46-V48 PolarHBondContact O-N 3.03Å; V48-E50 VanDerWaalsContact C-N 3.32Å; V48-E50 PolarHBondContact O-N 3.41Å; V48-L51 WeakPolarHBondContact O-CB 3.45Å; V48-L51 PolarHBondContact O-N 3.11Å; V48-A52 PolarHBondContact O-N 3.18Å; V48-A52 VanDerWaalsContact O-N 3.11Å; V48-L127 HydrophobicContact CG2-CD1 4Å; V48-I130 HydrophobicContact CB-CG2 4.32Å; V48-I130 HydrophobicContact CG1-CG2 3.4Å; V48-I130 VanDerWaalsContact CG1-CG2 3.4Å; V48-L134 HydrophobicContact CG1-CD1 3.47Å; V48-L134 VanDerWaalsContact CG1-CD1 3.47Å
49L80.9Confident76.4Confident6 Ų650.8 Ų50.83%0.03128%0.282CS..Hα-helixtrans-62.5-38.1176.5-70.9176.4000112.4A2 I45 V46 L51 A52 F58 I130A2-L49 HydrophobicContact CB-CB 4.03Å; A2-L49 HydrophobicContact CB-CD1 4.45Å; I45-L49 HydrophobicContact CG2-CD1 3.81Å; I45-L49 HydrophobicContact CG2-CG 4.22Å; I45-L49 WeakPolarHBondContact O-CB 3.38Å; I45-L49 VanDerWaalsContact O-CG 3.28Å; I45-L49 WeakPolarHBondContact O-CG 3.34Å; I45-L49 PolarHBondContact O-N 3.22Å; V46-L49 PolarHBondContact O-N 3.22Å; L49-L51 VanDerWaalsContact C-N 3.35Å; L49-A52 PolarHBondContact O-N 3.18Å; L49-F58 HydrophobicContact CD2-CB 4.46Å; L49-F58 HydrophobicContact CD2-CD1 4.37Å; L49-F58 HydrophobicContact CD2-CD2 3.19Å; L49-F58 HydrophobicContact CD2-CE2 3.33Å; L49-F58 HydrophobicContact CD2-CG 3.74Å; L49-F58 HydrophobicContact CD2-CZ 4.01Å; L49-I130 HydrophobicContact CD2-CD1 3.74Å; L49-I130 HydrophobicContact CD2-CG1 4.39Å; L49-I130 HydrophobicContact CD2-CG2 4.42Å; L49-I130 HydrophobicContact CG-CD1 4.1Å
50E80.1Confident74.8Confident110 Ų11053.5 Ų53.551%0.51430%0.303SS..Hα-helixtrans-64.3-39.4174.6-75.8177.3174.700111.9A2 V46 V48 A52 N53A2-E50 HydrophobicContact CB-CG 4.12Å; V46-E50 HydrophobicContact CG1-CG 4.47Å; V46-E50 WeakPolarHBondContact O-CB 3.47Å; V46-E50 WeakPolarHBondContact O-CG 3.36Å; V46-E50 PolarHBondContact O-N 2.84Å; V48-E50 VanDerWaalsContact C-N 3.32Å; V48-E50 PolarHBondContact O-N 3.41Å; E50-A52 VanDerWaalsContact C-N 3.29Å; E50-A52 PolarHBondContact O-N 3.23Å; E50-N53 PolarHBondContact O-N 3.44Å
51L75.1Confident73.3Confident57 Ų5751.5 Ų51.530%0.29829%0.293SS..Hα-helixtrans-65.9-31175.9-71.4170.3000113.1S47 V48 L49 N53 R359 R366S47-L51 WeakPolarHBondContact O-CG 3.41Å; S47-L51 PolarHBondContact O-N 3.33Å; V48-L51 WeakPolarHBondContact O-CB 3.45Å; V48-L51 PolarHBondContact O-N 3.11Å; L49-L51 VanDerWaalsContact C-N 3.35Å; L51-N53 PolarHBondContact O-N 3.23Å; L51-R359 HydrophobicContact CD1-CG 4.02Å; L51-R366 PolarHBondContact O-NH2 3.47Å
52A72Confident71.7Confident9 Ų954.6 Ų54.67%0.07432%0.317CS..THydrogen-bonded Turntrans-72-0.4176.600000114V48 L49 E50 N54 N55 F58 L134V48-A52 PolarHBondContact O-N 3.18Å; V48-A52 VanDerWaalsContact O-N 3.11Å; L49-A52 PolarHBondContact O-N 3.18Å; E50-A52 VanDerWaalsContact C-N 3.29Å; E50-A52 PolarHBondContact O-N 3.23Å; A52-N54 PolarHBondContact O-N 3.47Å; A52-N54 VanDerWaalsContact O-N 3.09Å; A52-N55 PolarHBondContact O-N 2.88Å; A52-F58 HydrophobicContact CB-CE2 3.71Å; A52-F58 HydrophobicContact CB-CZ 3.5Å; A52-F58 VanDerWaalsContact CB-CZ 3.5Å; A52-L134 HydrophobicContact CB-CD2 3.79Å
53N65.9Low70.4Confident101 Ų10155.8 Ų55.854%0.5432%0.324SS..THydrogen-bonded Turntrans53.629178.1-78.1-16000114.6E50 L51 N55E50-N53 PolarHBondContact O-N 3.44Å; L51-N53 PolarHBondContact O-N 3.23Å; N53-N55 PolarHBondContact O-N 2.8Å; N53-N55 PolarHBondContact O-OD1 3.18Å
54N59.3Low69Low66 Ų6659.5 Ų59.535%0.35334%0.338SS..THydrogen-bonded Turntrans584.7179.4-53.3-64000116.6A52 E56A52-N54 PolarHBondContact O-N 3.47Å; A52-N54 VanDerWaalsContact O-N 3.09Å; N54-E56 VanDerWaalsContact C-N 3.34Å
55N54.8Low67.8Low147 Ų14760.3 Ų60.379%0.78635%0.348SS*.  trans-81.7-14.5-175-72.6-18.5000113.2A52 N53A52-N55 PolarHBondContact O-N 2.88Å; N53-N55 PolarHBondContact O-N 2.8Å; N53-N55 PolarHBondContact O-OD1 3.18Å
56E55.6Low66.5Low38 Ų3864.8 Ų64.818%0.17838%0.379CS..SBendtrans-92.9131-179.3-68.7-176.8-178.100111.4N54 F58 L134 N137N54-E56 VanDerWaalsContact C-N 3.34Å; E56-F58 HydrophobicContact CB-CD1 4.48Å; E56-F58 HydrophobicContact CB-CD2 4.2Å; E56-F58 HydrophobicContact CB-CE1 3.97Å; E56-F58 HydrophobicContact CB-CE2 3.69Å; E56-F58 HydrophobicContact CB-CZ 3.57Å; E56-F58 HydrophobicContact CG-CZ 4.33Å; E56-F58 WeakPolarHBondContact O-CD2 3.49Å; E56-F58 PolarHBondContact O-N 3.38Å; E56-F58 WeakPolarHBondContact OE2-CE1 3.34Å; E56-F58 WeakPolarHBondContact OE2-CZ 3.4Å; E56-L134 VanDerWaalsContact CD-CD2 3.5Å; E56-L134 VanDerWaalsContact OE1-CD2 3.27Å; E56-L134 WeakPolarHBondContact OE1-CD2 3.36Å; E56-L134 WeakPolarHBondContact OE2-CD2 3.31Å; E56-L134 WeakPolarHBondContact OE2-CG 3.16Å; E56-N137 PolarHBondContact OE1-ND2 2.97Å
57S58.4Low65.9Low124 Ų12469.5 Ų69.587%0.86740%0.403SS*.  trans-72.680.2168.158.50000108.8
58F63.2Low66Low27 Ų2768.5 Ų68.512%0.11840%0.397CS..PPolyproline II helixtrans-63.7144.6171.9-65.8-65.6000110.2L49 A52 E56 I130 L134L49-F58 HydrophobicContact CD2-CB 4.46Å; L49-F58 HydrophobicContact CD2-CD1 4.37Å; L49-F58 HydrophobicContact CD2-CD2 3.19Å; L49-F58 HydrophobicContact CD2-CE2 3.33Å; L49-F58 HydrophobicContact CD2-CG 3.74Å; L49-F58 HydrophobicContact CD2-CZ 4.01Å; A52-F58 HydrophobicContact CB-CE2 3.71Å; A52-F58 HydrophobicContact CB-CZ 3.5Å; A52-F58 VanDerWaalsContact CB-CZ 3.5Å; E56-F58 HydrophobicContact CB-CD1 4.48Å; E56-F58 HydrophobicContact CB-CD2 4.2Å; E56-F58 HydrophobicContact CB-CE1 3.97Å; E56-F58 HydrophobicContact CB-CE2 3.69Å; E56-F58 HydrophobicContact CB-CZ 3.57Å; E56-F58 HydrophobicContact CG-CZ 4.33Å; E56-F58 WeakPolarHBondContact O-CD2 3.49Å; E56-F58 PolarHBondContact O-N 3.38Å; E56-F58 WeakPolarHBondContact OE2-CE1 3.34Å; E56-F58 WeakPolarHBondContact OE2-CZ 3.4Å; F58-I130 HydrophobicContact CD1-CB 4.16Å; F58-I130 HydrophobicContact CD1-CG1 3.67Å; F58-I130 HydrophobicContact CD1-CG2 4.04Å; F58-I130 HydrophobicContact CE1-CB 4.12Å; F58-I130 HydrophobicContact CE1-CG1 4.11Å; F58-I130 HydrophobicContact CE1-CG2 3.57Å; F58-I130 HydrophobicContact CG-CG1 4.2Å; F58-I130 HydrophobicContact CZ-CG2 4Å; F58-L134 HydrophobicContact CE1-CG 4.44Å; F58-L134 HydrophobicContact CZ-CG 4.41Å
59P59.5Low66.2Low50 Ų5070.9 Ų70.933%0.32541%0.414SS..PPolyproline II helixtrans-53.914017821.4-31.7000109.4F61 Y126P59-F61 PolarHBondContact O-N 3.24Å; P59-Y126 HydrophobicContact CG-CE2 4.38Å; P59-Y126 WeakPolarHBondContact O-CE2 3.26Å
60P60.8Low66.7Low117 Ų11773.6 Ų73.676%0.7644%0.437SS*.PPolyproline II helixtrans-58.613417823.9-32.2000109.6S62P60-S62 PolarHBondContact O-N 3.45Å
61F60.7Low67.3Low39 Ų3969 Ų6917%0.17142%0.416CS..  trans-70.7114.9170.4-162.9-67.5000107.9L6 P7 P59 L63 Y122 L123 Y126L6-F61 HydrophobicContact CD2-CD2 3.79Å; L6-F61 HydrophobicContact CD2-CE2 4.03Å; P7-F61 HydrophobicContact CB-CE1 4.45Å; P7-F61 VanDerWaalsContact CD-CG 3.48Å; P7-F61 HydrophobicContact CG-CD1 3.17Å; P7-F61 HydrophobicContact CG-CD2 4.46Å; P7-F61 HydrophobicContact CG-CE1 3.01Å; P7-F61 HydrophobicContact CG-CE2 4.35Å; P7-F61 HydrophobicContact CG-CG 3.92Å; P7-F61 HydrophobicContact CG-CZ 3.66Å; P59-F61 PolarHBondContact O-N 3.24Å; F61-L63 HydrophobicContact CD1-CB 4.24Å; F61-L63 HydrophobicContact CE1-CB 3.61Å; F61-Y122 HydrophobicContact CD1-CD1 4.38Å; F61-Y122 AromaticContact CD1-CE1 3.53Å; F61-Y122 HydrophobicContact CD1-CE1 3.53Å; F61-Y122 HydrophobicContact CD2-CD1 4.42Å; F61-Y122 AromaticContact CD2-CE1 3.61Å; F61-Y122 HydrophobicContact CD2-CE1 3.61Å; F61-Y122 AromaticContact CE1-CD1 3.66Å; F61-Y122 HydrophobicContact CE1-CD1 3.66Å; F61-Y122 AromaticContact CE1-CE1 3.27Å; F61-Y122 HydrophobicContact CE1-CE1 3.27Å; F61-Y122 AromaticContact CE2-CD1 3.72Å; F61-Y122 HydrophobicContact CE2-CD1 3.72Å; F61-Y122 AromaticContact CE2-CE1 3.36Å; F61-Y122 HydrophobicContact CE2-CE1 3.36Å; F61-Y122 AromaticContact CG-CE1 3.73Å; F61-Y122 HydrophobicContact CG-CE1 3.73Å; F61-Y122 AromaticContact CZ-CD1 3.3Å; F61-Y122 HydrophobicContact CZ-CD1 3.3Å; F61-Y122 AromaticContact CZ-CE1 3.2Å; F61-Y122 HydrophobicContact CZ-CE1 3.2Å; F61-L123 HydrophobicContact CE2-CD2 3.7Å; F61-L123 HydrophobicContact CZ-CD2 3.85Å; F61-Y126 HydrophobicContact CB-CE2 4.38Å; F61-Y126 AromaticContact CD2-CD1 3.91Å; F61-Y126 HydrophobicContact CD2-CD1 3.91Å; F61-Y126 HydrophobicContact CD2-CD2 4.1Å; F61-Y126 AromaticContact CD2-CE1 3.93Å; F61-Y126 HydrophobicContact CD2-CE1 3.93Å; F61-Y126 HydrophobicContact CD2-CE2 4.15Å; F61-Y126 AromaticContact CD2-CG 3.99Å; F61-Y126 HydrophobicContact CD2-CG 3.99Å; F61-Y126 HydrophobicContact CE2-CD1 4.16Å; F61-Y126 HydrophobicContact CE2-CG 4.27Å
62S57.9Low68.2Low81 Ų8166.5 Ų66.557%0.56640%0.403SS*.  trans-128.196.8173.3-168.40000108.3P60 Y122P60-S62 PolarHBondContact O-N 3.45Å; S62-Y122 PolarHBondContact N-OH 2.89Å; S62-Y122 WeakPolarHBondContact O-CE2 3.47Å; S62-Y122 PolarHBondContact O-OH 2.98Å
63L63.8Low69.2Low47 Ų4771.9 Ų71.925%0.24643%0.426CS..  trans-106.2119.8164-175.174.6000105.9F61 S65 E119 Y122F61-L63 HydrophobicContact CD1-CB 4.24Å; F61-L63 HydrophobicContact CE1-CB 3.61Å; L63-S65 PolarHBondContact O-N 3.48Å; L63-E119 HydrophobicContact CD2-CB 4.28Å; L63-E119 HydrophobicContact CD2-CG 4.16Å; L63-Y122 HydrophobicContact CD1-CD1 4.41Å; L63-Y122 HydrophobicContact CD1-CD2 3.87Å; L63-Y122 HydrophobicContact CD1-CG 3.77Å
64D58.3Low70.6Confident150 Ų15071.2 Ų71.280%0.80242%0.417SS*.  trans-66.685175.8-77.7-24.4000109.4S66D64-S66 VanDerWaalsContact C-N 3.34Å
65S60.8Low72.3Confident54 Ų5468 Ų6838%0.37840%0.4SS..  trans-89.11.4-179.364.70000113.2L63 N67 S68L63-S65 PolarHBondContact O-N 3.48Å; S65-N67 PolarHBondContact O-N 3.03Å; S65-S68 PolarHBondContact O-N 2.87Å; S65-S68 PolarHBondContact O-OG 3.39Å
66S60.6Low74.2Confident94 Ų9461.2 Ų61.266%0.65736%0.364SS*.Hα-helixtrans-54.9-34.8-171.766.20000112.8D64D64-S66 VanDerWaalsContact C-N 3.34Å
67N71Confident76Confident111 Ų11163.8 Ų63.859%0.59438%0.378SS*.Hα-helixtrans-88.6-24.8-178-62.9-10.9000112.7S65 S69S65-N67 PolarHBondContact O-N 3.03Å; N67-S69 PolarHBondContact O-N 2.97Å
68S84.4Confident77.6Confident7 Ų758.7 Ų58.75%0.04934%0.341CS..Hα-helixtrans-71.3-32.7-174.668.60000112.5S65 D71 V72S65-S68 PolarHBondContact O-N 2.87Å; S65-S68 PolarHBondContact O-OG 3.39Å; S68-D71 PolarHBondContact O-N 3.39Å; S68-V72 WeakPolarHBondContact O-CB 3.35Å; S68-V72 VanDerWaalsContact O-CG2 3.23Å; S68-V72 WeakPolarHBondContact O-CG2 3.34Å; S68-V72 PolarHBondContact O-N 3.45Å
69S88.2Confident79Confident54 Ų5457.5 Ų57.538%0.37834%0.336SS..Hα-helixtrans-62.3-50.4-176.5-1650000112.4N67 D71 V72 E73N67-S69 PolarHBondContact O-N 2.97Å; S69-D71 VanDerWaalsContact C-N 3.29Å; S69-D71 PolarHBondContact O-N 3.35Å; S69-V72 PolarHBondContact O-N 3.41Å; S69-E73 PolarHBondContact O-N 2.78Å
70A90.7Very high80.6Confident62 Ų6257.5 Ų57.551%0.51233%0.333SS..Hα-helixtrans-63.4-37.8179.400000111.8E73 Y74A70-E73 PolarHBondContact O-N 3.14Å; A70-Y74 WeakPolarHBondContact O-CB 3.3Å; A70-Y74 PolarHBondContact O-N 2.84Å
71D93.2Very high81.9Confident15 Ų1554.8 Ų54.88%0.0831%0.312CS..Hα-helixtrans-69.5-34.6177-71.4-39.5000112.8S68 S69 F75 Y108 K111 I112 Y115S68-D71 PolarHBondContact O-N 3.39Å; S69-D71 VanDerWaalsContact C-N 3.29Å; S69-D71 PolarHBondContact O-N 3.35Å; D71-F75 WeakPolarHBondContact O-CB 3.35Å; D71-F75 PolarHBondContact O-N 3.43Å; D71-Y108 HydrophobicContact CB-CD1 4.35Å; D71-Y108 HydrophobicContact CB-CE1 4.05Å; D71-Y108 VanDerWaalsContact OD1-CE1 3.3Å; D71-Y108 WeakPolarHBondContact OD1-CE1 3.5Å; D71-K111 IonicContact OD1-NZ 2.7Å; D71-K111 PolarHBondContact OD1-NZ 3.05Å; D71-K111 WeakPolarHBondContact OD2-CE 3.23Å; D71-K111 IonicContact OD2-NZ 2.73Å; D71-K111 PolarHBondContact OD2-NZ 3.42Å; D71-I112 HydrophobicContact CB-CD1 4.48Å; D71-Y115 HydrophobicContact CB-CE2 3.99Å; D71-Y115 WeakPolarHBondContact OD2-CE2 3.03Å; D71-Y115 PolarHBondContact OD2-OH 3.11Å
72V93.8Very high83.2Confident3 Ų353.5 Ų53.52%0.01831%0.309CS..Hα-helixtrans-65.9-44.1174.1164.60000110.9I10 Q13 I14 S68 S69 F75 S76 I112I10-V72 HydrophobicContact CG2-CG2 4.11Å; Q13-V72 HydrophobicContact CB-CG1 4.13Å; I14-V72 HydrophobicContact CB-CG1 4.42Å; I14-V72 HydrophobicContact CG1-CB 4.48Å; I14-V72 HydrophobicContact CG1-CG1 3.64Å; I14-V72 HydrophobicContact CG1-CG2 4.04Å; S68-V72 WeakPolarHBondContact O-CB 3.35Å; S68-V72 VanDerWaalsContact O-CG2 3.23Å; S68-V72 WeakPolarHBondContact O-CG2 3.34Å; S68-V72 PolarHBondContact O-N 3.45Å; S69-V72 PolarHBondContact O-N 3.41Å; V72-F75 PolarHBondContact O-N 2.76Å; V72-S76 WeakPolarHBondContact O-CB 3.14Å; V72-S76 PolarHBondContact O-N 2.76Å; V72-S76 PolarHBondContact O-OG 3.26Å; V72-I112 HydrophobicContact CB-CD1 4.42Å; V72-I112 HydrophobicContact CG2-CD1 3.57Å
73E93.4Very high84.4Confident123 Ų12351.2 Ų51.258%0.57529%0.291SS*.Hα-helixtrans-62.5-47175.9-72.7173.7-16400111.1S69 A70 S76 L77S69-E73 PolarHBondContact O-N 2.78Å; A70-E73 PolarHBondContact O-N 3.14Å; E73-S76 WeakPolarHBondContact O-CB 3.03Å; E73-S76 PolarHBondContact O-N 3.4Å; E73-L77 PolarHBondContact O-N 3.35Å
74Y94Very high85.2Confident86 Ų8653.5 Ų53.534%0.33730%0.301SS..Hα-helixtrans-65-41.4178.2-169.3-104.5000112.4A70 S76 L77 L78 E104 Y108A70-Y74 WeakPolarHBondContact O-CB 3.3Å; A70-Y74 PolarHBondContact O-N 2.84Å; Y74-S76 VanDerWaalsContact C-N 3.3Å; Y74-S76 PolarHBondContact O-N 2.86Å; Y74-L77 PolarHBondContact O-N 3.26Å; Y74-L78 HydrophobicContact CD1-CD1 3.72Å; Y74-L78 HydrophobicContact CD1-CG 4.08Å; Y74-L78 HydrophobicContact CE1-CD1 3.4Å; Y74-L78 VanDerWaalsContact CE1-CD1 3.4Å; Y74-L78 HydrophobicContact CE1-CD2 4.21Å; Y74-L78 HydrophobicContact CE1-CG 3.8Å; Y74-L78 WeakPolarHBondContact O-CG 3.03Å; Y74-L78 PolarHBondContact O-N 2.85Å; Y74-E104 PolarHBondContact OH-OE2 2.96Å; Y74-Y108 AromaticContact CD1-CD1 3.97Å; Y74-Y108 HydrophobicContact CD1-CD1 3.97Å; Y74-Y108 AromaticContact CD1-CD2 3.78Å; Y74-Y108 HydrophobicContact CD1-CD2 3.78Å; Y74-Y108 AromaticContact CD1-CE1 3.53Å; Y74-Y108 HydrophobicContact CD1-CE1 3.53Å; Y74-Y108 AromaticContact CD1-CE2 3.37Å; Y74-Y108 HydrophobicContact CD1-CE2 3.37Å; Y74-Y108 HydrophobicContact CD1-CG 4.09Å; Y74-Y108 AromaticContact CD1-CZ 3.22Å; Y74-Y108 AromaticContact CE1-CD2 3.86Å; Y74-Y108 HydrophobicContact CE1-CD2 3.86Å; Y74-Y108 HydrophobicContact CE1-CE1 4.36Å; Y74-Y108 AromaticContact CE1-CE2 3.34Å; Y74-Y108 HydrophobicContact CE1-CE2 3.34Å; Y74-Y108 AromaticContact CE1-CZ 3.63Å; Y74-Y108 HydrophobicContact CG-CE1 4.3Å
75F95Very high86.1Confident0 Ų048.7 Ų48.70%028%0.275CS..Hα-helixtrans-56.7-45.2171.5166.6-99.8000111.6V26 I30 D71 V72 L77 L78 Y79 L105 Y108 T109 I112V26-F75 HydrophobicContact CG1-CE1 3.73Å; V26-F75 HydrophobicContact CG1-CZ 3.99Å; I30-F75 HydrophobicContact CD1-CE1 4.34Å; I30-F75 HydrophobicContact CD1-CZ 4.48Å; I30-F75 HydrophobicContact CG1-CZ 4.47Å; D71-F75 WeakPolarHBondContact O-CB 3.35Å; D71-F75 PolarHBondContact O-N 3.43Å; V72-F75 PolarHBondContact O-N 2.76Å; F75-L77 VanDerWaalsContact C-N 3.33Å; F75-L77 PolarHBondContact O-N 3.2Å; F75-L78 PolarHBondContact O-N 3.17Å; F75-Y79 VanDerWaalsContact O-CB 3.29Å; F75-Y79 WeakPolarHBondContact O-CB 2.93Å; F75-Y79 PolarHBondContact O-N 2.87Å; F75-L105 HydrophobicContact CD2-CD1 3.95Å; F75-L105 HydrophobicContact CE2-CD1 3.77Å; F75-Y108 HydrophobicContact CB-CD1 4.48Å; F75-T109 WeakPolarHBondContact CE2-OG1 3.42Å; F75-I112 HydrophobicContact CB-CG1 4.13Å; F75-I112 HydrophobicContact CD1-CG1 4.43Å; F75-I112 HydrophobicContact CD2-CG1 4.43Å; F75-I112 HydrophobicContact CG-CG1 4.06Å
76S94Very high86.5Confident4 Ų453.3 Ų53.33%0.02828%0.284CS..Hα-helixtrans-64.2-40.5-179.2-560000111.5S17 V72 E73 Y74 Y79 L80S17-S76 VanDerWaalsContact CB-OG 3.31Å; S17-S76 WeakPolarHBondContact CB-OG 3.34Å; S17-S76 PolarHBondContact OG-OG 2.95Å; V72-S76 WeakPolarHBondContact O-CB 3.14Å; V72-S76 PolarHBondContact O-N 2.76Å; V72-S76 PolarHBondContact O-OG 3.26Å; E73-S76 WeakPolarHBondContact O-CB 3.03Å; E73-S76 PolarHBondContact O-N 3.4Å; Y74-S76 VanDerWaalsContact C-N 3.3Å; Y74-S76 PolarHBondContact O-N 2.86Å; S76-Y79 PolarHBondContact O-N 3.43Å; S76-L80 VanDerWaalsContact O-CG 3.29Å; S76-L80 WeakPolarHBondContact O-CG 3.42Å; S76-L80 PolarHBondContact O-N 2.97Å
77L93.7Very high86.7Confident92 Ų9253.4 Ų53.448%0.48229%0.285SS..Hα-helixtrans-62.7-50.8174.5-179.166.8000111.8E73 Y74 F75 Y79 L80 N81E73-L77 PolarHBondContact O-N 3.35Å; Y74-L77 PolarHBondContact O-N 3.26Å; F75-L77 VanDerWaalsContact C-N 3.33Å; F75-L77 PolarHBondContact O-N 3.2Å; L77-Y79 VanDerWaalsContact C-N 3.28Å; L77-Y79 PolarHBondContact O-N 3.14Å; L77-L80 PolarHBondContact O-N 3.06Å; L77-N81 PolarHBondContact O-N 3.4Å
78L92.4Very high86.2Confident17 Ų1753.5 Ų53.59%0.08928%0.28CS..Hα-helixtrans-57.7-43.4177.4-75.4179.6000111.5Y74 F75 A82 E104 L105 Y108Y74-L78 HydrophobicContact CD1-CD1 3.72Å; Y74-L78 HydrophobicContact CD1-CG 4.08Å; Y74-L78 HydrophobicContact CE1-CD1 3.4Å; Y74-L78 VanDerWaalsContact CE1-CD1 3.4Å; Y74-L78 HydrophobicContact CE1-CD2 4.21Å; Y74-L78 HydrophobicContact CE1-CG 3.8Å; Y74-L78 WeakPolarHBondContact O-CG 3.03Å; Y74-L78 PolarHBondContact O-N 2.85Å; F75-L78 PolarHBondContact O-N 3.17Å; L78-A82 WeakPolarHBondContact O-CB 3.33Å; L78-A82 PolarHBondContact O-N 3.48Å; L78-E104 HydrophobicContact CD1-CB 4.07Å; L78-L105 HydrophobicContact CB-CD1 4.06Å; L78-Y108 HydrophobicContact CD1-CD2 3.79Å; L78-Y108 HydrophobicContact CD1-CE2 4.47Å; L78-Y108 HydrophobicContact CD1-CG 4.2Å
79Y93.5Very high84.7Confident2 Ų258.7 Ų58.71%0.00830%0.303CS..Hα-helixtrans-61.7-49178.7175.9-93.3000111.6L18 H22 E25 V26 I29 F75 S76 L77 N81 A82 T83L18-Y79 HydrophobicContact CD2-CD1 4.05Å; H22-Y79 HydrophobicContact CB-CE1 3.75Å; H22-Y79 AromaticContact CG-CE1 3.82Å; H22-Y79 AromaticContact ND1-CE1 3.86Å; E25-Y79 WeakPolarHBondContact CB-OH 3.39Å; E25-Y79 VanDerWaalsContact CG-OH 3.25Å; E25-Y79 WeakPolarHBondContact CG-OH 3.23Å; E25-Y79 PolarHBondContact OE2-OH 3.01Å; V26-Y79 HydrophobicContact CG2-CD1 3.85Å; V26-Y79 HydrophobicContact CG2-CD2 3.91Å; V26-Y79 HydrophobicContact CG2-CE1 3.57Å; V26-Y79 HydrophobicContact CG2-CE2 3.6Å; V26-Y79 HydrophobicContact CG2-CG 4Å; V26-Y79 VanDerWaalsContact CG2-CZ 3.4Å; I29-Y79 HydrophobicContact CD1-CD2 4.17Å; I29-Y79 HydrophobicContact CD1-CE2 3.53Å; F75-Y79 VanDerWaalsContact O-CB 3.29Å; F75-Y79 WeakPolarHBondContact O-CB 2.93Å; F75-Y79 PolarHBondContact O-N 2.87Å; S76-Y79 PolarHBondContact O-N 3.43Å; L77-Y79 VanDerWaalsContact C-N 3.28Å; L77-Y79 PolarHBondContact O-N 3.14Å; Y79-N81 PolarHBondContact O-N 3.43Å; Y79-A82 PolarHBondContact O-N 2.94Å; Y79-T83 HydrophobicContact CD1-CG2 4.31Å; Y79-T83 HydrophobicContact CE1-CG2 3.76Å; Y79-T83 HydrophobicContact CE2-CG2 4.16Å; Y79-T83 WeakPolarHBondContact O-CG2 3.5Å; Y79-T83 PolarHBondContact O-N 3.43Å; Y79-T83 PolarHBondContact O-OG1 3.04Å
80L91.8Very high83Confident50 Ų5064 Ų6426%0.26233%0.328SS..Hα-helixtrans-62.7-44.4180-71.2173.1000111.5L18 P19 S76 L77 A82 T83 E84L18-L80 HydrophobicContact CD2-CD1 4.24Å; L18-L80 HydrophobicContact CD2-CD2 4.21Å; L18-L80 HydrophobicContact CD2-CG 4.01Å; P19-L80 HydrophobicContact CG-CD2 4.49Å; S76-L80 VanDerWaalsContact O-CG 3.29Å; S76-L80 WeakPolarHBondContact O-CG 3.42Å; S76-L80 PolarHBondContact O-N 2.97Å; L77-L80 PolarHBondContact O-N 3.06Å; L80-A82 VanDerWaalsContact C-N 3.33Å; L80-A82 PolarHBondContact O-N 3.13Å; L80-T83 WeakPolarHBondContact CA-OG1 3.36Å; L80-T83 PolarHBondContact O-N 3.41Å; L80-T83 VanDerWaalsContact O-N 3.14Å; L80-T83 PolarHBondContact O-OG1 3.49Å; L80-E84 PolarHBondContact O-N 2.99Å
81N89.2Confident81.3Confident59 Ų5965.1 Ų65.132%0.31633%0.325SS..Hα-helixtrans-59-44.3175.1-70.8-10.3000111.6L77 Y79 T83 E84 N85L77-N81 PolarHBondContact O-N 3.4Å; Y79-N81 PolarHBondContact O-N 3.43Å; N81-T83 VanDerWaalsContact C-N 3.32Å; N81-T83 PolarHBondContact O-N 3Å; N81-E84 PolarHBondContact O-N 2.78Å; N81-N85 WeakPolarHBondContact O-CB 3.22Å; N81-N85 VanDerWaalsContact O-CG 3.3Å; N81-N85 PolarHBondContact O-N 3.37Å
82A86.9Confident79.5Confident13 Ų1369.3 Ų69.311%0.10735%0.353CS..Hα-helixtrans-62.8-37.917700000112.2L78 Y79 L80 R86 L105L78-A82 WeakPolarHBondContact O-CB 3.33Å; L78-A82 PolarHBondContact O-N 3.48Å; Y79-A82 PolarHBondContact O-N 2.94Å; L80-A82 VanDerWaalsContact C-N 3.33Å; L80-A82 PolarHBondContact O-N 3.13Å; A82-R86 VanDerWaalsContact O-CG 3.26Å; A82-R86 WeakPolarHBondContact O-CG 3.45Å; A82-R86 PolarHBondContact O-N 3.01Å; A82-L105 HydrophobicContact CB-CD2 3.93Å
83T83.8Confident77.8Confident33 Ų3379.2 Ų79.220%0.20239%0.391CS..Hα-helixtrans-69.8-38.1175.558.40000112.8Y79 L80 N81Y79-T83 HydrophobicContact CD1-CG2 4.31Å; Y79-T83 HydrophobicContact CE1-CG2 3.76Å; Y79-T83 HydrophobicContact CE2-CG2 4.16Å; Y79-T83 WeakPolarHBondContact O-CG2 3.5Å; Y79-T83 PolarHBondContact O-N 3.43Å; Y79-T83 PolarHBondContact O-OG1 3.04Å; L80-T83 WeakPolarHBondContact CA-OG1 3.36Å; L80-T83 PolarHBondContact O-N 3.41Å; L80-T83 VanDerWaalsContact O-N 3.14Å; L80-T83 PolarHBondContact O-OG1 3.49Å; N81-T83 VanDerWaalsContact C-N 3.32Å; N81-T83 PolarHBondContact O-N 3Å
84E81.5Confident76.1Confident94 Ų9478 Ų7844%0.43939%0.386SS..Hα-helixtrans-69-43.5177.3-170.4177.4175.900111.2L80 N81 R86 S87 K88L80-E84 PolarHBondContact O-N 2.99Å; N81-E84 PolarHBondContact O-N 2.78Å; E84-R86 VanDerWaalsContact C-N 3.33Å; E84-R86 PolarHBondContact O-N 3.21Å; E84-S87 WeakPolarHBondContact O-CB 3.47Å; E84-S87 PolarHBondContact O-N 2.95Å; E84-S87 PolarHBondContact O-OG 3.22Å; E84-K88 PolarHBondContact O-N 3.4Å; E84-K88 WeakPolarHBondContact OE1-CE 3.39Å; E84-K88 IonicContact OE1-NZ 3.13Å; E84-K88 PolarHBondContact OE1-NZ 3.39Å
85N75.3Confident74.2Confident50 Ų5076.3 Ų76.327%0.26739%0.39SS..Hα-helixtrans-63.6-37.2178.2-73.9-17.1000112.1N81 S87 K88 Q89 E101N81-N85 WeakPolarHBondContact O-CB 3.22Å; N81-N85 VanDerWaalsContact O-CG 3.3Å; N81-N85 PolarHBondContact O-N 3.37Å; N85-S87 PolarHBondContact O-N 2.88Å; N85-K88 PolarHBondContact O-N 3.28Å; N85-Q89 PolarHBondContact O-N 2.89Å; N85-Q89 VanDerWaalsContact O-N 3.16Å; N85-E101 PolarHBondContact ND2-OE1 2.84Å; N85-E101 PolarHBondContact ND2-OE2 2.73Å
86R70Confident71.9Confident151 Ų15184.7 Ų84.757%0.5743%0.426SS*.Hα-helixtrans-58.3-28.6172.4-76.7176.4-162.4-178.88.3112.9E25 A82 E84E25-R86 IonicContact OE1-NH1 3.98Å; A82-R86 VanDerWaalsContact O-CG 3.26Å; A82-R86 WeakPolarHBondContact O-CG 3.45Å; A82-R86 PolarHBondContact O-N 3.01Å; E84-R86 VanDerWaalsContact C-N 3.33Å; E84-R86 PolarHBondContact O-N 3.21Å
87S64.1Low70.2Confident95 Ų9589.6 Ų89.666%0.66445%0.452SS*.Hα-helixtrans-80.3-18.4177.1770000113.9E84 N85E84-S87 WeakPolarHBondContact O-CB 3.47Å; E84-S87 PolarHBondContact O-N 2.95Å; E84-S87 PolarHBondContact O-OG 3.22Å; N85-S87 PolarHBondContact O-N 2.88Å
88K60.8Low68.6Low113 Ų11386.3 Ų86.349%0.49144%0.441SS..Hα-helixtrans-108.9-2.6-174.2-63.6179.6-173.31700114.3E84 N85 D90E84-K88 PolarHBondContact O-N 3.4Å; E84-K88 WeakPolarHBondContact OE1-CE 3.39Å; E84-K88 IonicContact OE1-NZ 3.13Å; E84-K88 PolarHBondContact OE1-NZ 3.39Å; N85-K88 PolarHBondContact O-N 3.28Å; K88-D90 PolarHBondContact O-N 2.82Å
89Q53.3Low67Low117 Ų11791 Ų9155%0.54747%0.466SS..  trans-68.970.8-178.7-88.2-171.9-1500112.8N85N85-Q89 PolarHBondContact O-N 2.89Å; N85-Q89 VanDerWaalsContact O-N 3.16Å
90D53.7Low65.9Low166 Ų16696.8 Ų96.889%0.88849%0.491SS*.  trans-98.7-6.7159-82.2-27.7000111.7K88K88-D90 PolarHBondContact O-N 2.82Å
91N54.5Low64.9Low84 Ų8496.9 Ų96.945%0.44949%0.49SS..  trans-116114.2-173.8-161.2-11.4000113.9Y93 Q94N91-Y93 PolarHBondContact O-N 2.81Å; N91-Y93 WeakPolarHBondContact OD1-CD2 3.46Å; N91-Y93 PolarHBondContact OD1-N 3.41Å; N91-Q94 PolarHBondContact O-N 3.3Å
92P55.8Low64.4Low104 Ų104100.2 Ų100.268%0.67550%0.502SS*.G310 helixtrans-65.2-20.4-176.824.3-34.1000114.6Q94 A95P92-Q94 VanDerWaalsContact C-N 3.27Å; P92-Q94 PolarHBondContact O-N 3.46Å; P92-A95 WeakPolarHBondContact O-CB 3.25Å; P92-A95 PolarHBondContact O-N 2.99Å
93Y57.3Low64.2Low210 Ų210102.9 Ų102.982%0.82452%0.519SS*.G310 helixtrans-72.8-16.4177.8-66.5-77.7000113.7N91 A95N91-Y93 PolarHBondContact O-N 2.81Å; N91-Y93 WeakPolarHBondContact OD1-CD2 3.46Å; N91-Y93 PolarHBondContact OD1-N 3.41Å; Y93-A95 VanDerWaalsContact C-N 3.29Å; Y93-A95 PolarHBondContact O-N 3.44Å
94Q57Low64.6Low97 Ų97103.9 Ų103.945%0.45352%0.522SS..G310 helixtrans-79.9-6.1173.5-82179.7-15.900113.7N91 P92 F96 D97 G98N91-Q94 PolarHBondContact O-N 3.3Å; P92-Q94 VanDerWaalsContact C-N 3.27Å; P92-Q94 PolarHBondContact O-N 3.46Å; Q94-F96 VanDerWaalsContact C-N 3.3Å; Q94-F96 PolarHBondContact O-N 2.97Å; Q94-D97 PolarHBondContact O-N 3.04Å; Q94-G98 PolarHBondContact O-N 2.85Å
95A54.2Low65.1Low51 Ų51100 Ų10042%0.42150%0.504SS..Hα-helixtrans-64-30.8-174.400000114P92 Y93 L99P92-A95 WeakPolarHBondContact O-CB 3.25Å; P92-A95 PolarHBondContact O-N 2.99Å; Y93-A95 VanDerWaalsContact C-N 3.29Å; Y93-A95 PolarHBondContact O-N 3.44Å; A95-L99 PolarHBondContact O-N 3.13Å
96F46.6Very low66Low176 Ų176102 Ų10277%0.77252%0.515SS*.Hα-helixtrans-72.3-40-177.6-161.6-93.2000112.4Q94 L99Q94-F96 VanDerWaalsContact C-N 3.3Å; Q94-F96 PolarHBondContact O-N 2.97Å; F96-L99 PolarHBondContact O-N 3.47Å
97D59.3Low67.1Low107 Ų107101.5 Ų101.557%0.57251%0.513SS*.Hα-helixtrans-69.4-38.9176.6-138.12.3000110.8Q94 L99 K100 E101Q94-D97 PolarHBondContact O-N 3.04Å; D97-L99 VanDerWaalsContact C-N 3.28Å; D97-L99 PolarHBondContact O-N 3.02Å; D97-K100 PolarHBondContact O-N 3.04Å; D97-K100 VanDerWaalsContact O-N 3.11Å; D97-E101 PolarHBondContact O-N 3.41Å
98G59Low68.6Low23 Ų2398.8 Ų98.824%0.23749%0.489CS..Hα-helixtrans-62.2-28.3175.600000114.6Q94 K102Q94-G98 PolarHBondContact O-N 2.85Å; G98-K102 WeakPolarHBondContact O-CB 3.38Å; G98-K102 PolarHBondContact O-N 3.47Å
99L59.9Low70.2Confident117 Ų11794 Ų9461%0.61347%0.469SS*.Hα-helixtrans-69-41.1173.7-78.4167.5000111.8A95 F96 D97 K102 S103A95-L99 PolarHBondContact O-N 3.13Å; F96-L99 PolarHBondContact O-N 3.47Å; D97-L99 VanDerWaalsContact C-N 3.28Å; D97-L99 PolarHBondContact O-N 3.02Å; L99-K102 PolarHBondContact O-N 2.89Å; L99-S103 PolarHBondContact O-N 2.98Å; L99-S103 VanDerWaalsContact O-N 3.11Å
100K69.5Low72.3Confident123 Ų12392.6 Ų92.654%0.53546%0.463SS..Hα-helixtrans-65.4-49.2176.7-171-174.3174.6-161.90110.4D97 K102 S103 E104D97-K100 PolarHBondContact O-N 3.04Å; D97-K100 VanDerWaalsContact O-N 3.11Å; K100-K102 VanDerWaalsContact C-N 3.28Å; K100-K102 PolarHBondContact O-N 3.34Å; K100-S103 PolarHBondContact O-N 3.35Å; K100-S103 VanDerWaalsContact O-N 3.13Å; K100-S103 PolarHBondContact O-OG 3.43Å; K100-E104 VanDerWaalsContact CE-OE1 3.27Å; K100-E104 WeakPolarHBondContact CE-OE1 3.25Å; K100-E104 IonicContact NZ-OE1 3.43Å; K100-E104 PolarHBondContact O-N 3.46Å
101E70.7Confident74.2Confident52 Ų5287 Ų8724%0.24343%0.43CS..Hα-helixtrans-55.2-43175.7-72.4-177.1167.400112.2N85 D97 E104 L105N85-E101 PolarHBondContact ND2-OE1 2.84Å; N85-E101 PolarHBondContact ND2-OE2 2.73Å; D97-E101 PolarHBondContact O-N 3.41Å; E101-E104 PolarHBondContact O-N 2.86Å; E101-L105 WeakPolarHBondContact O-CB 3.46Å; E101-L105 PolarHBondContact O-N 3.49Å
102K78.8Confident76.1Confident129 Ų12983 Ų8356%0.56141%0.409SS*.Hα-helixtrans-63.3-44178.1-173.3175-179.21800112.2G98 L99 K100 E104 L105 D106G98-K102 WeakPolarHBondContact O-CB 3.38Å; G98-K102 PolarHBondContact O-N 3.47Å; L99-K102 PolarHBondContact O-N 2.89Å; K100-K102 VanDerWaalsContact C-N 3.28Å; K100-K102 PolarHBondContact O-N 3.34Å; K102-E104 VanDerWaalsContact C-N 3.31Å; K102-E104 PolarHBondContact O-N 3.26Å; K102-L105 PolarHBondContact O-N 3.14Å; K102-D106 WeakPolarHBondContact O-CB 3.41Å; K102-D106 VanDerWaalsContact O-CG 3.3Å; K102-D106 PolarHBondContact O-N 3.37Å
103S84.1Confident78.1Confident68 Ų6882 Ų8248%0.47639%0.392SS..Hα-helixtrans-64.4-36.1178.169.90000112.8L99 K100 Y107L99-S103 PolarHBondContact O-N 2.98Å; L99-S103 VanDerWaalsContact O-N 3.11Å; K100-S103 PolarHBondContact O-N 3.35Å; K100-S103 VanDerWaalsContact O-N 3.13Å; K100-S103 PolarHBondContact O-OG 3.43Å; S103-Y107 WeakPolarHBondContact O-CB 3.23Å; S103-Y107 PolarHBondContact O-N 3.37Å
104E91.5Very high79.8Confident55 Ų5576 Ų7626%0.25737%0.374SS..Hα-helixtrans-69.5-42.5174.8-71.6-172.6-15600111.5Y74 L78 K100 E101 K102 D106 Y107 Y108Y74-E104 PolarHBondContact OH-OE2 2.96Å; L78-E104 HydrophobicContact CD1-CB 4.07Å; K100-E104 VanDerWaalsContact CE-OE1 3.27Å; K100-E104 WeakPolarHBondContact CE-OE1 3.25Å; K100-E104 IonicContact NZ-OE1 3.43Å; K100-E104 PolarHBondContact O-N 3.46Å; E101-E104 PolarHBondContact O-N 2.86Å; K102-E104 VanDerWaalsContact C-N 3.31Å; K102-E104 PolarHBondContact O-N 3.26Å; E104-D106 VanDerWaalsContact C-N 3.33Å; E104-D106 PolarHBondContact O-N 2.86Å; E104-Y107 WeakPolarHBondContact O-CB 3.37Å; E104-Y107 PolarHBondContact O-N 3.17Å; E104-Y108 WeakPolarHBondContact O-CD2 3.27Å; E104-Y108 PolarHBondContact O-N 3.12Å
105L92Very high81.6Confident12 Ų1274.2 Ų74.26%0.06336%0.363CS..Hα-helixtrans-61.6-41.7175.5-178.761.6000111.5F75 L78 A82 E101 K102 Y108 T109F75-L105 HydrophobicContact CD2-CD1 3.95Å; F75-L105 HydrophobicContact CE2-CD1 3.77Å; L78-L105 HydrophobicContact CB-CD1 4.06Å; A82-L105 HydrophobicContact CB-CD2 3.93Å; E101-L105 WeakPolarHBondContact O-CB 3.46Å; E101-L105 PolarHBondContact O-N 3.49Å; K102-L105 PolarHBondContact O-N 3.14Å; L105-Y108 PolarHBondContact O-N 3.36Å; L105-T109 VanDerWaalsContact O-CB 3.32Å; L105-T109 WeakPolarHBondContact O-CB 3.2Å; L105-T109 PolarHBondContact O-N 3.47Å; L105-T109 PolarHBondContact O-OG1 2.7Å
106D93.1Very high83.5Confident93 Ų9371.8 Ų71.850%0.49734%0.343SS..Hα-helixtrans-63.3-42.6175.9-72.4-22.5000111.1K102 E104 T109 Q110K102-D106 WeakPolarHBondContact O-CB 3.41Å; K102-D106 VanDerWaalsContact O-CG 3.3Å; K102-D106 PolarHBondContact O-N 3.37Å; E104-D106 VanDerWaalsContact C-N 3.33Å; E104-D106 PolarHBondContact O-N 2.86Å; D106-T109 WeakPolarHBondContact O-CB 3.38Å; D106-T109 PolarHBondContact O-N 3.25Å; D106-Q110 PolarHBondContact O-N 2.81Å
107Y94.9Very high85.8Confident139 Ų13967.3 Ų67.355%0.54533%0.327SS..Hα-helixtrans-59.8-50.1174.8169.6-102.3000111.9S103 E104 T109 Q110 K111S103-Y107 WeakPolarHBondContact O-CB 3.23Å; S103-Y107 PolarHBondContact O-N 3.37Å; E104-Y107 WeakPolarHBondContact O-CB 3.37Å; E104-Y107 PolarHBondContact O-N 3.17Å; Y107-T109 VanDerWaalsContact C-N 3.35Å; Y107-T109 PolarHBondContact O-N 3.46Å; Y107-Q110 PolarHBondContact O-N 2.84Å; Y107-K111 HydrophobicContact CE1-CD 4.24Å; Y107-K111 WeakPolarHBondContact O-CB 3.31Å; Y107-K111 PolarHBondContact O-N 2.98Å
108Y94.9Very high87.3Confident39 Ų3964.8 Ų64.815%0.15332%0.321CS..Hα-helixtrans-67.8-34.8179.2-89-89.7000112.3D71 Y74 F75 L78 E104 L105 Q110 K111 I112D71-Y108 HydrophobicContact CB-CD1 4.35Å; D71-Y108 HydrophobicContact CB-CE1 4.05Å; D71-Y108 VanDerWaalsContact OD1-CE1 3.3Å; D71-Y108 WeakPolarHBondContact OD1-CE1 3.5Å; Y74-Y108 AromaticContact CD1-CD1 3.97Å; Y74-Y108 HydrophobicContact CD1-CD1 3.97Å; Y74-Y108 AromaticContact CD1-CD2 3.78Å; Y74-Y108 HydrophobicContact CD1-CD2 3.78Å; Y74-Y108 AromaticContact CD1-CE1 3.53Å; Y74-Y108 HydrophobicContact CD1-CE1 3.53Å; Y74-Y108 AromaticContact CD1-CE2 3.37Å; Y74-Y108 HydrophobicContact CD1-CE2 3.37Å; Y74-Y108 HydrophobicContact CD1-CG 4.09Å; Y74-Y108 AromaticContact CD1-CZ 3.22Å; Y74-Y108 AromaticContact CE1-CD2 3.86Å; Y74-Y108 HydrophobicContact CE1-CD2 3.86Å; Y74-Y108 HydrophobicContact CE1-CE1 4.36Å; Y74-Y108 AromaticContact CE1-CE2 3.34Å; Y74-Y108 HydrophobicContact CE1-CE2 3.34Å; Y74-Y108 AromaticContact CE1-CZ 3.63Å; Y74-Y108 HydrophobicContact CG-CE1 4.3Å; F75-Y108 HydrophobicContact CB-CD1 4.48Å; L78-Y108 HydrophobicContact CD1-CD2 3.79Å; L78-Y108 HydrophobicContact CD1-CE2 4.47Å; L78-Y108 HydrophobicContact CD1-CG 4.2Å; E104-Y108 WeakPolarHBondContact O-CD2 3.27Å; E104-Y108 PolarHBondContact O-N 3.12Å; L105-Y108 PolarHBondContact O-N 3.36Å; Y108-Q110 VanDerWaalsContact C-N 3.33Å; Y108-Q110 PolarHBondContact O-N 2.96Å; Y108-K111 HydrophobicContact CD1-CD 4.37Å; Y108-K111 HydrophobicContact CE1-CD 4.28Å; Y108-K111 WeakPolarHBondContact O-CB 3.28Å; Y108-K111 PolarHBondContact O-N 2.86Å; Y108-I112 WeakPolarHBondContact O-CG1 3.36Å; Y108-I112 PolarHBondContact O-N 3.25Å
109T95.1Very high88.9Confident11 Ų1164 Ų647%0.06731%0.311CS..Hα-helixtrans-56.9-48.4171.6-610000110.8I29 F75 L105 D106 Y107 K111 I112 R113I29-T109 HydrophobicContact CG2-CG2 3.61Å; F75-T109 WeakPolarHBondContact CE2-OG1 3.42Å; L105-T109 VanDerWaalsContact O-CB 3.32Å; L105-T109 WeakPolarHBondContact O-CB 3.2Å; L105-T109 PolarHBondContact O-N 3.47Å; L105-T109 PolarHBondContact O-OG1 2.7Å; D106-T109 WeakPolarHBondContact O-CB 3.38Å; D106-T109 PolarHBondContact O-N 3.25Å; Y107-T109 VanDerWaalsContact C-N 3.35Å; Y107-T109 PolarHBondContact O-N 3.46Å; T109-K111 VanDerWaalsContact C-N 3.33Å; T109-K111 PolarHBondContact O-N 3.3Å; T109-I112 PolarHBondContact O-N 3.14Å; T109-R113 WeakPolarHBondContact O-CG 3.37Å; T109-R113 PolarHBondContact O-N 3.41Å
110Q95.8Very high90.5Very high89 Ų8958.7 Ų58.742%0.41628%0.283SS..Hα-helixtrans-66.5-36.5178.2-17158.137.400112D106 Y107 Y108 R113 N114D106-Q110 PolarHBondContact O-N 2.81Å; Y107-Q110 PolarHBondContact O-N 2.84Å; Y108-Q110 VanDerWaalsContact C-N 3.33Å; Y108-Q110 PolarHBondContact O-N 2.96Å; Q110-R113 WeakPolarHBondContact O-CB 3.37Å; Q110-R113 PolarHBondContact O-N 2.96Å; Q110-N114 PolarHBondContact NE2-OD1 3.42Å; Q110-N114 VanDerWaalsContact NE2-OD1 3.11Å; Q110-N114 PolarHBondContact O-N 3.39Å; Q110-N114 PolarHBondContact O-ND2 3.39Å; Q110-N114 PolarHBondContact O-OD1 3.38Å
111K94.8Very high91.6Very high48 Ų4856.3 Ų56.321%0.20928%0.282CS..Hα-helixtrans-61.7-47175.5-161.6179.2-172.7-1680111.4D71 Y107 Y108 T109 N114 Y115D71-K111 IonicContact OD1-NZ 2.7Å; D71-K111 PolarHBondContact OD1-NZ 3.05Å; D71-K111 WeakPolarHBondContact OD2-CE 3.23Å; D71-K111 IonicContact OD2-NZ 2.73Å; D71-K111 PolarHBondContact OD2-NZ 3.42Å; Y107-K111 HydrophobicContact CE1-CD 4.24Å; Y107-K111 WeakPolarHBondContact O-CB 3.31Å; Y107-K111 PolarHBondContact O-N 2.98Å; Y108-K111 HydrophobicContact CD1-CD 4.37Å; Y108-K111 HydrophobicContact CE1-CD 4.28Å; Y108-K111 WeakPolarHBondContact O-CB 3.28Å; Y108-K111 PolarHBondContact O-N 2.86Å; T109-K111 VanDerWaalsContact C-N 3.33Å; T109-K111 PolarHBondContact O-N 3.3Å; K111-N114 WeakPolarHBondContact O-CB 3.42Å; K111-N114 PolarHBondContact O-N 3.22Å; K111-Y115 HydrophobicContact CD-CE2 4.38Å; K111-Y115 VanDerWaalsContact CE-OH 3.31Å; K111-Y115 WeakPolarHBondContact CE-OH 3.3Å; K111-Y115 HydrophobicContact CG-CE2 3.9Å; K111-Y115 WeakPolarHBondContact O-CD2 3.44Å; K111-Y115 PolarHBondContact O-N 2.9Å
112I95Very high92.5Very high0 Ų056.6 Ų56.60%028%0.281CS..Hα-helixtrans-61.6-44.1175.4-67-50.8000111.6I10 I14 I30 D71 V72 F75 Y108 T109 N114 Y115 I116I10-I112 HydrophobicContact CG2-CG2 4.31Å; I14-I112 HydrophobicContact CD1-CG2 3.6Å; I30-I112 HydrophobicContact CD1-CG2 3.97Å; I30-I112 HydrophobicContact CG1-CG2 4.3Å; I30-I112 HydrophobicContact CG2-CG2 4.5Å; D71-I112 HydrophobicContact CB-CD1 4.48Å; V72-I112 HydrophobicContact CB-CD1 4.42Å; V72-I112 HydrophobicContact CG2-CD1 3.57Å; F75-I112 HydrophobicContact CB-CG1 4.13Å; F75-I112 HydrophobicContact CD1-CG1 4.43Å; F75-I112 HydrophobicContact CD2-CG1 4.43Å; F75-I112 HydrophobicContact CG-CG1 4.06Å; Y108-I112 WeakPolarHBondContact O-CG1 3.36Å; Y108-I112 PolarHBondContact O-N 3.25Å; T109-I112 PolarHBondContact O-N 3.14Å; I112-N114 VanDerWaalsContact C-N 3.28Å; I112-N114 PolarHBondContact O-N 3.08Å; I112-Y115 HydrophobicContact CD1-CD2 4.08Å; I112-Y115 WeakPolarHBondContact O-CB 3.4Å; I112-Y115 PolarHBondContact O-N 3.05Å; I112-Y115 VanDerWaalsContact O-N 3.12Å; I112-I116 HydrophobicContact CG2-CD1 4.01Å; I112-I116 WeakPolarHBondContact O-CG1 3.43Å; I112-I116 PolarHBondContact O-N 3.48Å
113R95.7Very high93.1Very high83 Ų8350.5 Ų50.531%0.31326%0.255SS..Hα-helixtrans-56-43.8174.3-76.8173.9172.2-170-4.9112.2I29 I30 L34 T109 Q110 Y115 I116 L117I29-R113 PolarHBondContact O-NE 3.4Å; I29-R113 PolarHBondContact O-NH2 3.04Å; I30-R113 HydrophobicContact CG2-CG 4.33Å; I30-R113 WeakPolarHBondContact O-CD 3.4Å; I30-R113 WeakPolarHBondContact O-CG 3.43Å; I30-R113 PolarHBondContact O-NE 2.88Å; L34-R113 HydrophobicContact CD1-CB 4.49Å; L34-R113 HydrophobicContact CD1-CG 4.34Å; T109-R113 WeakPolarHBondContact O-CG 3.37Å; T109-R113 PolarHBondContact O-N 3.41Å; Q110-R113 WeakPolarHBondContact O-CB 3.37Å; Q110-R113 PolarHBondContact O-N 2.96Å; R113-Y115 VanDerWaalsContact C-N 3.33Å; R113-Y115 PolarHBondContact O-N 2.67Å; R113-I116 PolarHBondContact O-N 3.44Å; R113-L117 WeakPolarHBondContact O-CG 3.47Å; R113-L117 PolarHBondContact O-N 2.68Å
114N94.5Very high93.5Very high83 Ų8351.4 Ų51.444%0.44425%0.25SS..Hα-helixtrans-64.5-38.4178-67.1-15.9000111.7Q110 K111 I112 L117 A118Q110-N114 PolarHBondContact NE2-OD1 3.42Å; Q110-N114 VanDerWaalsContact NE2-OD1 3.11Å; Q110-N114 PolarHBondContact O-N 3.39Å; Q110-N114 PolarHBondContact O-ND2 3.39Å; Q110-N114 PolarHBondContact O-OD1 3.38Å; K111-N114 WeakPolarHBondContact O-CB 3.42Å; K111-N114 PolarHBondContact O-N 3.22Å; I112-N114 VanDerWaalsContact C-N 3.28Å; I112-N114 PolarHBondContact O-N 3.08Å; N114-L117 PolarHBondContact O-N 3Å; N114-A118 PolarHBondContact O-N 3.32Å
115Y93.9Very high93.4Very high60 Ų6052.3 Ų52.324%0.23526%0.26CS..Hα-helixtrans-62.5-43.9173.1-66.9-41.9000112.1I10 D71 K111 I112 R113 L117 A118 E119I10-Y115 VanDerWaalsContact CD1-CB 3.45Å; I10-Y115 VanDerWaalsContact CD1-O 3.28Å; I10-Y115 WeakPolarHBondContact CD1-O 3.31Å; D71-Y115 HydrophobicContact CB-CE2 3.99Å; D71-Y115 WeakPolarHBondContact OD2-CE2 3.03Å; D71-Y115 PolarHBondContact OD2-OH 3.11Å; K111-Y115 HydrophobicContact CD-CE2 4.38Å; K111-Y115 VanDerWaalsContact CE-OH 3.31Å; K111-Y115 WeakPolarHBondContact CE-OH 3.3Å; K111-Y115 HydrophobicContact CG-CE2 3.9Å; K111-Y115 WeakPolarHBondContact O-CD2 3.44Å; K111-Y115 PolarHBondContact O-N 2.9Å; I112-Y115 HydrophobicContact CD1-CD2 4.08Å; I112-Y115 WeakPolarHBondContact O-CB 3.4Å; I112-Y115 PolarHBondContact O-N 3.05Å; I112-Y115 VanDerWaalsContact O-N 3.12Å; R113-Y115 VanDerWaalsContact C-N 3.33Å; R113-Y115 PolarHBondContact O-N 2.67Å; Y115-L117 VanDerWaalsContact C-N 3.35Å; Y115-L117 PolarHBondContact O-N 3.11Å; Y115-A118 PolarHBondContact O-N 3Å; Y115-E119 WeakPolarHBondContact O-CB 3.49Å; Y115-E119 PolarHBondContact O-N 3.07Å
116I94.6Very high93.2Very high0 Ų052.5 Ų52.50%026%0.26CS..Hα-helixtrans-63.9-41.1177.3-68.2169.6000110.9I10 I30 L34 T38 I112 R113 A118 E119 I120I10-I116 HydrophobicContact CB-CG1 4.04Å; I10-I116 HydrophobicContact CD1-CG1 4.23Å; I10-I116 HydrophobicContact CG2-CD1 4.31Å; I10-I116 HydrophobicContact CG2-CG1 3.83Å; I30-I116 HydrophobicContact CG2-CD1 3.37Å; L34-I116 HydrophobicContact CB-CG2 3.81Å; T38-I116 HydrophobicContact CG2-CG2 3.77Å; I112-I116 HydrophobicContact CG2-CD1 4.01Å; I112-I116 WeakPolarHBondContact O-CG1 3.43Å; I112-I116 PolarHBondContact O-N 3.48Å; R113-I116 PolarHBondContact O-N 3.44Å; I116-A118 VanDerWaalsContact C-N 3.34Å; I116-A118 PolarHBondContact O-N 3.49Å; I116-E119 WeakPolarHBondContact O-CB 3.28Å; I116-E119 PolarHBondContact O-N 2.84Å; I116-I120 HydrophobicContact CG2-CD1 4.08Å; I116-I120 HydrophobicContact CG2-CG1 4.43Å; I116-I120 VanDerWaalsContact O-CG1 3.29Å; I116-I120 WeakPolarHBondContact O-CG1 3.44Å; I116-I120 PolarHBondContact O-N 3.03Å
117L94.8Very high93Very high83 Ų8348.6 Ų48.644%0.43524%0.239SC..Hα-helixtrans-61.9-41.2175-75.9168.4000112.5L34 R113 N114 Y115 I120 S121L34-L117 HydrophobicContact CD1-CG 4.47Å; L34-L117 HydrophobicContact CD2-CD2 3.61Å; L34-L117 HydrophobicContact CD2-CG 4.28Å; R113-L117 WeakPolarHBondContact O-CG 3.47Å; R113-L117 PolarHBondContact O-N 2.68Å; N114-L117 PolarHBondContact O-N 3Å; Y115-L117 VanDerWaalsContact C-N 3.35Å; Y115-L117 PolarHBondContact O-N 3.11Å; L117-I120 PolarHBondContact O-N 3.22Å; L117-S121 PolarHBondContact O-N 3.41Å
118A91.8Very high92.6Very high53 Ų5346.4 Ų46.444%0.43823%0.234SC..Hα-helixtrans-63.6-42.3174.100000111.3N114 Y115 I116 S121 Y122N114-A118 PolarHBondContact O-N 3.32Å; Y115-A118 PolarHBondContact O-N 3Å; I116-A118 VanDerWaalsContact C-N 3.34Å; I116-A118 PolarHBondContact O-N 3.49Å; A118-S121 PolarHBondContact O-N 2.74Å; A118-Y122 WeakPolarHBondContact O-CB 3.48Å; A118-Y122 PolarHBondContact O-N 2.85Å
119E92.5Very high92.2Very high6 Ų647.9 Ų47.93%0.02824%0.244CC..Hα-helixtrans-61.6-44.4174.7-175.4175.385.500111.6L9 I10 L63 Y115 I116 S121 Y122 L123L9-E119 WeakPolarHBondContact CA-OE2 3.25Å; L9-E119 HydrophobicContact CD2-CG 4.23Å; L9-E119 WeakPolarHBondContact CD2-OE1 3.34Å; I10-E119 HydrophobicContact CD1-CB 3.92Å; I10-E119 PolarHBondContact N-OE1 3.15Å; I10-E119 PolarHBondContact N-OE2 3.47Å; L63-E119 HydrophobicContact CD2-CB 4.28Å; L63-E119 HydrophobicContact CD2-CG 4.16Å; Y115-E119 WeakPolarHBondContact O-CB 3.49Å; Y115-E119 PolarHBondContact O-N 3.07Å; I116-E119 WeakPolarHBondContact O-CB 3.28Å; I116-E119 PolarHBondContact O-N 2.84Å; E119-S121 PolarHBondContact O-N 3.22Å; E119-Y122 PolarHBondContact O-N 3.4Å; E119-L123 HydrophobicContact CG-CD1 4Å; E119-L123 HydrophobicContact CG-CG 4.34Å; E119-L123 WeakPolarHBondContact O-CB 3.5Å; E119-L123 WeakPolarHBondContact O-CG 3.42Å; E119-L123 PolarHBondContact O-N 3.08Å
120I93.3Very high91.6Very high7 Ų747.3 Ų47.34%0.03624%0.241CC..Hα-helixtrans-57.3-48.7173.6-70.4168000110.7L34 Q37 T38 L41 I116 L117 Y122 L123 K124L34-I120 HydrophobicContact CB-CD1 4.29Å; L34-I120 HydrophobicContact CD2-CD1 4.04Å; Q37-I120 HydrophobicContact CB-CD1 4Å; Q37-I120 HydrophobicContact CB-CG1 4.38Å; T38-I120 HydrophobicContact CG2-CD1 4.13Å; T38-I120 HydrophobicContact CG2-CG1 3.42Å; T38-I120 VanDerWaalsContact CG2-CG1 3.42Å; L41-I120 HydrophobicContact CD1-CB 4.48Å; L41-I120 HydrophobicContact CD1-CG2 3.94Å; I116-I120 HydrophobicContact CG2-CD1 4.08Å; I116-I120 HydrophobicContact CG2-CG1 4.43Å; I116-I120 VanDerWaalsContact O-CG1 3.29Å; I116-I120 WeakPolarHBondContact O-CG1 3.44Å; I116-I120 PolarHBondContact O-N 3.03Å; L117-I120 PolarHBondContact O-N 3.22Å; I120-Y122 VanDerWaalsContact C-N 3.3Å; I120-Y122 PolarHBondContact O-N 2.96Å; I120-L123 PolarHBondContact O-N 3.03Å; I120-K124 HydrophobicContact CG2-CD 4.1Å; I120-K124 WeakPolarHBondContact O-CB 3.29Å; I120-K124 WeakPolarHBondContact O-CG 3.45Å; I120-K124 PolarHBondContact O-N 3Å
121S91.8Very high91.1Very high72 Ų7244.2 Ų44.250%0.50323%0.226SC..Hα-helixtrans-59.9-45.1179-172.40000110.9L117 A118 E119 K124 T125L117-S121 PolarHBondContact O-N 3.41Å; A118-S121 PolarHBondContact O-N 2.74Å; E119-S121 PolarHBondContact O-N 3.22Å; S121-K124 PolarHBondContact O-N 3.26Å; S121-T125 PolarHBondContact O-N 3.35Å; S121-T125 PolarHBondContact O-OG1 2.67Å
122Y89.7Confident90.5Very high58 Ų5845 Ų4523%0.22723%0.233CC..Hα-helixtrans-61.9-48.8178.5-174.7-84.6000111.8F61 S62 L63 A118 E119 I120 K124 T125 Y126F61-Y122 HydrophobicContact CD1-CD1 4.38Å; F61-Y122 AromaticContact CD1-CE1 3.53Å; F61-Y122 HydrophobicContact CD1-CE1 3.53Å; F61-Y122 HydrophobicContact CD2-CD1 4.42Å; F61-Y122 AromaticContact CD2-CE1 3.61Å; F61-Y122 HydrophobicContact CD2-CE1 3.61Å; F61-Y122 AromaticContact CE1-CD1 3.66Å; F61-Y122 HydrophobicContact CE1-CD1 3.66Å; F61-Y122 AromaticContact CE1-CE1 3.27Å; F61-Y122 HydrophobicContact CE1-CE1 3.27Å; F61-Y122 AromaticContact CE2-CD1 3.72Å; F61-Y122 HydrophobicContact CE2-CD1 3.72Å; F61-Y122 AromaticContact CE2-CE1 3.36Å; F61-Y122 HydrophobicContact CE2-CE1 3.36Å; F61-Y122 AromaticContact CG-CE1 3.73Å; F61-Y122 HydrophobicContact CG-CE1 3.73Å; F61-Y122 AromaticContact CZ-CD1 3.3Å; F61-Y122 HydrophobicContact CZ-CD1 3.3Å; F61-Y122 AromaticContact CZ-CE1 3.2Å; F61-Y122 HydrophobicContact CZ-CE1 3.2Å; S62-Y122 PolarHBondContact N-OH 2.89Å; S62-Y122 WeakPolarHBondContact O-CE2 3.47Å; S62-Y122 PolarHBondContact O-OH 2.98Å; L63-Y122 HydrophobicContact CD1-CD1 4.41Å; L63-Y122 HydrophobicContact CD1-CD2 3.87Å; L63-Y122 HydrophobicContact CD1-CG 3.77Å; A118-Y122 WeakPolarHBondContact O-CB 3.48Å; A118-Y122 PolarHBondContact O-N 2.85Å; E119-Y122 PolarHBondContact O-N 3.4Å; I120-Y122 VanDerWaalsContact C-N 3.3Å; I120-Y122 PolarHBondContact O-N 2.96Å; Y122-K124 VanDerWaalsContact C-N 3.3Å; Y122-K124 PolarHBondContact O-N 3.34Å; Y122-T125 PolarHBondContact O-N 3Å; Y122-Y126 WeakPolarHBondContact O-CB 3.22Å; Y122-Y126 PolarHBondContact O-N 3.46Å
123L91.1Very high89.8Confident2 Ų246.8 Ų46.81%0.0125%0.245CC..Hα-helixtrans-59.7-40.9178.7-71.1170.5000111.5L9 L41 I45 F61 E119 I120 Y126 L127L9-L123 HydrophobicContact CD2-CD1 3.94Å; L41-L123 HydrophobicContact CB-CB 4.04Å; L41-L123 HydrophobicContact CB-CD1 4.18Å; L41-L123 HydrophobicContact CD1-CB 4.04Å; I45-L123 HydrophobicContact CD1-CB 4.07Å; I45-L123 HydrophobicContact CD1-CD2 3.56Å; I45-L123 HydrophobicContact CD1-CG 4.41Å; F61-L123 HydrophobicContact CE2-CD2 3.7Å; F61-L123 HydrophobicContact CZ-CD2 3.85Å; E119-L123 HydrophobicContact CG-CD1 4Å; E119-L123 HydrophobicContact CG-CG 4.34Å; E119-L123 WeakPolarHBondContact O-CB 3.5Å; E119-L123 WeakPolarHBondContact O-CG 3.42Å; E119-L123 PolarHBondContact O-N 3.08Å; I120-L123 PolarHBondContact O-N 3.03Å; L123-Y126 PolarHBondContact O-N 3.4Å; L123-L127 VanDerWaalsContact O-CB 3.26Å; L123-L127 WeakPolarHBondContact O-CB 2.98Å; L123-L127 PolarHBondContact O-N 3.47Å
124K92.7Very high88.9Confident86 Ų8643.2 Ų43.237%0.37423%0.232SC..Hα-helixtrans-61-48174.2-76.6175.4179170.50111.7L41 I120 S121 Y122 Y126 L127 Q128L41-K124 HydrophobicContact CD1-CG 3.83Å; L41-K124 HydrophobicContact CD2-CG 3.82Å; I120-K124 HydrophobicContact CG2-CD 4.1Å; I120-K124 WeakPolarHBondContact O-CB 3.29Å; I120-K124 WeakPolarHBondContact O-CG 3.45Å; I120-K124 PolarHBondContact O-N 3Å; S121-K124 PolarHBondContact O-N 3.26Å; Y122-K124 VanDerWaalsContact C-N 3.3Å; Y122-K124 PolarHBondContact O-N 3.34Å; K124-Y126 VanDerWaalsContact C-N 3.34Å; K124-L127 PolarHBondContact O-N 3.49Å; K124-Q128 WeakPolarHBondContact O-CB 3.38Å; K124-Q128 PolarHBondContact O-N 3.4Å
125T88.8Confident88.1Confident75 Ų7542.2 Ų42.246%0.4623%0.226SC..Hα-helixtrans-62.2-43.5177-60.90000111.4S121 Y122 Q128 N129S121-T125 PolarHBondContact O-N 3.35Å; S121-T125 PolarHBondContact O-OG1 2.67Å; Y122-T125 PolarHBondContact O-N 3Å; T125-Q128 PolarHBondContact O-N 2.95Å; T125-N129 PolarHBondContact O-N 2.83Å; T125-N129 PolarHBondContact O-ND2 3.43Å; T125-N129 PolarHBondContact O-OD1 2.91Å
126Y88.1Confident87.2Confident16 Ų1645.8 Ų45.86%0.06325%0.245CC..Hα-helixtrans-62.6-46.9179.1-175.6-106.2000111.9L6 I45 P59 F61 Y122 L123 K124 Q128 N129 I130L6-Y126 HydrophobicContact CD2-CD1 4.47Å; L6-Y126 HydrophobicContact CD2-CE1 3.85Å; I45-Y126 HydrophobicContact CD1-CD1 4.01Å; I45-Y126 HydrophobicContact CG1-CD1 4.32Å; I45-Y126 HydrophobicContact CG2-CD1 3.91Å; I45-Y126 HydrophobicContact CG2-CE1 3.68Å; P59-Y126 HydrophobicContact CG-CE2 4.38Å; P59-Y126 WeakPolarHBondContact O-CE2 3.26Å; F61-Y126 HydrophobicContact CB-CE2 4.38Å; F61-Y126 AromaticContact CD2-CD1 3.91Å; F61-Y126 HydrophobicContact CD2-CD1 3.91Å; F61-Y126 HydrophobicContact CD2-CD2 4.1Å; F61-Y126 AromaticContact CD2-CE1 3.93Å; F61-Y126 HydrophobicContact CD2-CE1 3.93Å; F61-Y126 HydrophobicContact CD2-CE2 4.15Å; F61-Y126 AromaticContact CD2-CG 3.99Å; F61-Y126 HydrophobicContact CD2-CG 3.99Å; F61-Y126 HydrophobicContact CE2-CD1 4.16Å; F61-Y126 HydrophobicContact CE2-CG 4.27Å; Y122-Y126 WeakPolarHBondContact O-CB 3.22Å; Y122-Y126 PolarHBondContact O-N 3.46Å; L123-Y126 PolarHBondContact O-N 3.4Å; K124-Y126 VanDerWaalsContact C-N 3.34Å; Y126-Q128 VanDerWaalsContact C-N 3.33Å; Y126-Q128 PolarHBondContact O-N 3.19Å; Y126-N129 PolarHBondContact O-N 2.91Å; Y126-I130 HydrophobicContact CD1-CD1 3.61Å; Y126-I130 HydrophobicContact CE1-CD1 3.18Å; Y126-I130 HydrophobicContact CE1-CG1 4.2Å; Y126-I130 HydrophobicContact CE2-CD1 4.38Å; Y126-I130 HydrophobicContact CG-CD1 4.39Å; Y126-I130 WeakPolarHBondContact O-CG1 3.4Å; Y126-I130 PolarHBondContact O-N 3.25Å
127L88.3Confident85.9Confident11 Ų1148.8 Ų48.86%0.05826%0.261CS..Hα-helixtrans-57.4-46.2173.9175.762.9000111.6L41 E44 I45 V48 L123 K124 N129 I130 Q131L41-L127 HydrophobicContact CD2-CD2 4.16Å; E44-L127 HydrophobicContact CB-CD2 4.47Å; E44-L127 HydrophobicContact CG-CD1 4.01Å; E44-L127 HydrophobicContact CG-CD2 3.96Å; E44-L127 WeakPolarHBondContact OE1-CD2 3.46Å; E44-L127 WeakPolarHBondContact OE2-CD2 3.41Å; I45-L127 HydrophobicContact CD1-CB 4.37Å; I45-L127 HydrophobicContact CG1-CB 3.83Å; I45-L127 HydrophobicContact CG1-CD1 3.97Å; I45-L127 HydrophobicContact CG1-CG 4.39Å; V48-L127 HydrophobicContact CG2-CD1 4Å; L123-L127 VanDerWaalsContact O-CB 3.26Å; L123-L127 WeakPolarHBondContact O-CB 2.98Å; L123-L127 PolarHBondContact O-N 3.47Å; K124-L127 PolarHBondContact O-N 3.49Å; L127-N129 VanDerWaalsContact C-N 3.34Å; L127-N129 PolarHBondContact O-N 2.86Å; L127-I130 PolarHBondContact O-N 3.03Å; L127-Q131 HydrophobicContact CD1-CG 4.38Å; L127-Q131 WeakPolarHBondContact O-CG 3.2Å; L127-Q131 PolarHBondContact O-N 3.25Å
128Q88.1Confident84.4Confident93 Ų9346.4 Ų46.444%0.43525%0.248SC..Hα-helixtrans-61.6-42.1177.7-17364.553.800111.8K124 T125 Y126 I130 Q131 N132K124-Q128 WeakPolarHBondContact O-CB 3.38Å; K124-Q128 PolarHBondContact O-N 3.4Å; T125-Q128 PolarHBondContact O-N 2.95Å; Y126-Q128 VanDerWaalsContact C-N 3.33Å; Y126-Q128 PolarHBondContact O-N 3.19Å; Q128-I130 PolarHBondContact O-N 2.99Å; Q128-Q131 PolarHBondContact O-N 3.22Å; Q128-N132 PolarHBondContact NE2-OD1 3.19Å; Q128-N132 WeakPolarHBondContact O-CB 3.35Å; Q128-N132 PolarHBondContact O-N 3.39Å; Q128-N132 PolarHBondContact O-OD1 3.36Å
129N85.6Confident82.8Confident69 Ų6947.4 Ų47.437%0.36925%0.251SS..Hα-helixtrans-63.7-41.3178.5-69.7-15.2000111.8T125 Y126 L127 N132 S133T125-N129 PolarHBondContact O-N 2.83Å; T125-N129 PolarHBondContact O-ND2 3.43Å; T125-N129 PolarHBondContact O-OD1 2.91Å; Y126-N129 PolarHBondContact O-N 2.91Å; L127-N129 VanDerWaalsContact C-N 3.34Å; L127-N129 PolarHBondContact O-N 2.86Å; N129-N132 PolarHBondContact O-N 3.43Å; N129-S133 WeakPolarHBondContact O-CB 3.42Å; N129-S133 PolarHBondContact O-N 3.37Å; N129-S133 PolarHBondContact O-OG 3.15Å
130I83.1Confident80.9Confident0 Ų051 Ų510%027%0.274CS..Hα-helixtrans-60.5-49173.5-70.3170000110.2I45 V48 L49 F58 Y126 L127 Q128 N132 S133 L134I45-I130 HydrophobicContact CG2-CD1 3.96Å; V48-I130 HydrophobicContact CB-CG2 4.32Å; V48-I130 HydrophobicContact CG1-CG2 3.4Å; V48-I130 VanDerWaalsContact CG1-CG2 3.4Å; L49-I130 HydrophobicContact CD2-CD1 3.74Å; L49-I130 HydrophobicContact CD2-CG1 4.39Å; L49-I130 HydrophobicContact CD2-CG2 4.42Å; L49-I130 HydrophobicContact CG-CD1 4.1Å; F58-I130 HydrophobicContact CD1-CB 4.16Å; F58-I130 HydrophobicContact CD1-CG1 3.67Å; F58-I130 HydrophobicContact CD1-CG2 4.04Å; F58-I130 HydrophobicContact CE1-CB 4.12Å; F58-I130 HydrophobicContact CE1-CG1 4.11Å; F58-I130 HydrophobicContact CE1-CG2 3.57Å; F58-I130 HydrophobicContact CG-CG1 4.2Å; F58-I130 HydrophobicContact CZ-CG2 4Å; Y126-I130 HydrophobicContact CD1-CD1 3.61Å; Y126-I130 HydrophobicContact CE1-CD1 3.18Å; Y126-I130 HydrophobicContact CE1-CG1 4.2Å; Y126-I130 HydrophobicContact CE2-CD1 4.38Å; Y126-I130 HydrophobicContact CG-CD1 4.39Å; Y126-I130 WeakPolarHBondContact O-CG1 3.4Å; Y126-I130 PolarHBondContact O-N 3.25Å; L127-I130 PolarHBondContact O-N 3.03Å; Q128-I130 PolarHBondContact O-N 2.99Å; I130-N132 VanDerWaalsContact C-N 3.34Å; I130-N132 PolarHBondContact O-N 3.4Å; I130-S133 PolarHBondContact O-N 2.86Å; I130-L134 HydrophobicContact CG2-CD1 3.99Å; I130-L134 WeakPolarHBondContact O-CG 3.41Å; I130-L134 PolarHBondContact O-N 2.74Å
131Q84.7Confident78.9Confident24 Ų2454.2 Ų54.211%0.11229%0.29CS..Hα-helixtrans-61.4-42.3-179.7-73.2174.7-8.700111.9L127 Q128 L134 L135 F358L127-Q131 HydrophobicContact CD1-CG 4.38Å; L127-Q131 WeakPolarHBondContact O-CG 3.2Å; L127-Q131 PolarHBondContact O-N 3.25Å; Q128-Q131 PolarHBondContact O-N 3.22Å; Q131-L134 PolarHBondContact O-N 3.03Å; Q131-L135 VanDerWaalsContact O-CG 3.31Å; Q131-L135 WeakPolarHBondContact O-CG 3.46Å; Q131-L135 PolarHBondContact O-N 2.92Å; Q131-F358 HydrophobicContact CG-CE1 4.45Å
132N82.1Confident76.7Confident65 Ų6553.6 Ų53.635%0.34828%0.281SS..Hα-helixtrans-64.6-44.5176.4-69.2-8.9000111.7Q128 N129 I130 L134 L135 E136Q128-N132 PolarHBondContact NE2-OD1 3.19Å; Q128-N132 WeakPolarHBondContact O-CB 3.35Å; Q128-N132 PolarHBondContact O-N 3.39Å; Q128-N132 PolarHBondContact O-OD1 3.36Å; N129-N132 PolarHBondContact O-N 3.43Å; I130-N132 VanDerWaalsContact C-N 3.34Å; I130-N132 PolarHBondContact O-N 3.4Å; N132-L134 VanDerWaalsContact C-N 3.31Å; N132-L134 PolarHBondContact O-N 2.87Å; N132-L135 WeakPolarHBondContact O-CB 3.37Å; N132-L135 PolarHBondContact O-N 3.2Å; N132-L135 VanDerWaalsContact O-N 3.16Å; N132-E136 WeakPolarHBondContact O-CG 3.45Å; N132-E136 PolarHBondContact O-N 3.16Å
133S79.9Confident74.4Confident37 Ų3757 Ų5726%0.25930%0.299SS..Hα-helixtrans-60-43.3177.9-55.80000111.2N129 I130 E136 N137N129-S133 WeakPolarHBondContact O-CB 3.42Å; N129-S133 PolarHBondContact O-N 3.37Å; N129-S133 PolarHBondContact O-OG 3.15Å; I130-S133 PolarHBondContact O-N 2.86Å; S133-E136 PolarHBondContact O-N 2.71Å; S133-N137 VanDerWaalsContact O-CG 3.27Å; S133-N137 PolarHBondContact O-N 3.38Å; S133-N137 VanDerWaalsContact O-N 3.1Å; S133-N137 PolarHBondContact O-ND2 3.47Å
134L78.3Confident72Confident8 Ų863.8 Ų63.84%0.04233%0.33CS..Hα-helixtrans-61.1-46.7174.7-77.7165.3000111.5V48 A52 E56 F58 I130 Q131 N132 E136 N137 F138 F358V48-L134 HydrophobicContact CG1-CD1 3.47Å; V48-L134 VanDerWaalsContact CG1-CD1 3.47Å; A52-L134 HydrophobicContact CB-CD2 3.79Å; E56-L134 VanDerWaalsContact CD-CD2 3.5Å; E56-L134 VanDerWaalsContact OE1-CD2 3.27Å; E56-L134 WeakPolarHBondContact OE1-CD2 3.36Å; E56-L134 WeakPolarHBondContact OE2-CD2 3.31Å; E56-L134 WeakPolarHBondContact OE2-CG 3.16Å; F58-L134 HydrophobicContact CE1-CG 4.44Å; F58-L134 HydrophobicContact CZ-CG 4.41Å; I130-L134 HydrophobicContact CG2-CD1 3.99Å; I130-L134 WeakPolarHBondContact O-CG 3.41Å; I130-L134 PolarHBondContact O-N 2.74Å; Q131-L134 PolarHBondContact O-N 3.03Å; N132-L134 VanDerWaalsContact C-N 3.31Å; N132-L134 PolarHBondContact O-N 2.87Å; L134-E136 PolarHBondContact O-N 3.04Å; L134-N137 PolarHBondContact O-N 3.3Å; L134-F138 HydrophobicContact CB-CE2 4.4Å; L134-F138 HydrophobicContact CD2-CE2 4.43Å; L134-F138 WeakPolarHBondContact O-CD2 3.46Å; L134-F138 PolarHBondContact O-N 2.95Å; L134-F358 HydrophobicContact CB-CZ 4.26Å; L134-F358 HydrophobicContact CD1-CE1 4.34Å; L134-F358 HydrophobicContact CD1-CZ 4.43Å
135L77.1Confident69.5Low62 Ų6262.9 Ų62.933%0.32533%0.328SS..Hα-helixtrans-61-41178.9-76.9165.8000112.8Q131 N132 F138 S139 F358 M361Q131-L135 VanDerWaalsContact O-CG 3.31Å; Q131-L135 WeakPolarHBondContact O-CG 3.46Å; Q131-L135 PolarHBondContact O-N 2.92Å; N132-L135 WeakPolarHBondContact O-CB 3.37Å; N132-L135 PolarHBondContact O-N 3.2Å; N132-L135 VanDerWaalsContact O-N 3.16Å; L135-F138 PolarHBondContact O-N 3.41Å; L135-S139 PolarHBondContact O-N 3.18Å; L135-S139 PolarHBondContact O-OG 2.95Å; L135-F358 HydrophobicContact CD1-CE2 4.27Å; L135-F358 HydrophobicContact CD2-CE2 3.89Å; L135-F358 HydrophobicContact CG-CE2 3.87Å; L135-M361 HydrophobicContact CD2-SD 4.42Å
136E74.3Confident67.1Low135 Ų13565.5 Ų65.563%0.63134%0.335SS*.Hα-helixtrans-61.7-44.9175.3-74.2179.5-178.300110.9N132 S133 L134 F138 S139 T140N132-E136 WeakPolarHBondContact O-CG 3.45Å; N132-E136 PolarHBondContact O-N 3.16Å; S133-E136 PolarHBondContact O-N 2.71Å; L134-E136 PolarHBondContact O-N 3.04Å; E136-F138 VanDerWaalsContact C-N 3.34Å; E136-F138 PolarHBondContact O-N 3.29Å; E136-S139 WeakPolarHBondContact O-CB 3.32Å; E136-S139 PolarHBondContact O-N 3.4Å; E136-S139 VanDerWaalsContact O-N 3.1Å; E136-T140 PolarHBondContact O-N 3.44Å; E136-T140 PolarHBondContact O-OG1 2.93Å
137N68.2Low64.8Low63 Ų6371 Ų7134%0.33737%0.365SS..Hα-helixtrans-63.5-36.5178.5-68-26.9000112.8E56 S133 L134 T140 I141E56-N137 PolarHBondContact OE1-ND2 2.97Å; S133-N137 VanDerWaalsContact O-CG 3.27Å; S133-N137 PolarHBondContact O-N 3.38Å; S133-N137 VanDerWaalsContact O-N 3.1Å; S133-N137 PolarHBondContact O-ND2 3.47Å; L134-N137 PolarHBondContact O-N 3.3Å; N137-T140 WeakPolarHBondContact CA-OG1 3.47Å; N137-T140 PolarHBondContact O-OG1 2.71Å; N137-I141 WeakPolarHBondContact O-CD1 3.5Å; N137-I141 VanDerWaalsContact O-CG1 3.23Å; N137-I141 WeakPolarHBondContact O-CG1 3.5Å; N137-I141 PolarHBondContact O-N 2.68Å
138F63.4Low62.6Low33 Ų3375.8 Ų75.815%0.14539%0.39CS..Hα-helixtrans-69-35.9173.1-73.2-67.5000112.6L134 L135 E136 I141 N142 I362L134-F138 HydrophobicContact CB-CE2 4.4Å; L134-F138 HydrophobicContact CD2-CE2 4.43Å; L134-F138 WeakPolarHBondContact O-CD2 3.46Å; L134-F138 PolarHBondContact O-N 2.95Å; L135-F138 PolarHBondContact O-N 3.41Å; E136-F138 VanDerWaalsContact C-N 3.34Å; E136-F138 PolarHBondContact O-N 3.29Å; F138-I141 PolarHBondContact O-N 2.98Å; F138-N142 PolarHBondContact O-N 3.32Å; F138-I362 HydrophobicContact CD2-CD1 3.7Å; F138-I362 HydrophobicContact CE2-CD1 3.37Å; F138-I362 HydrophobicContact CE2-CG1 4.39Å; F138-I362 HydrophobicContact CE2-CG2 4.43Å; F138-I362 HydrophobicContact CZ-CD1 4Å; F138-I362 HydrophobicContact CZ-CG2 4.07Å
139S58.1Low60Low73 Ų7377.5 Ų77.551%0.5140%0.402SS..Hα-helixtrans-67.4-37.9179.3-56.40000111.7L135 E136L135-S139 PolarHBondContact O-N 3.18Å; L135-S139 PolarHBondContact O-OG 2.95Å; E136-S139 WeakPolarHBondContact O-CB 3.32Å; E136-S139 PolarHBondContact O-N 3.4Å; E136-S139 VanDerWaalsContact O-N 3.1Å
140T52.3Low57.4Low82 Ų8282 Ų8250%0.50342%0.42SS..Hα-helixtrans-69.3-37.4176.1470000113.1E136 N137 N142 H143 E144E136-T140 PolarHBondContact O-N 3.44Å; E136-T140 PolarHBondContact O-OG1 2.93Å; N137-T140 WeakPolarHBondContact CA-OG1 3.47Å; N137-T140 PolarHBondContact O-OG1 2.71Å; T140-N142 VanDerWaalsContact C-N 3.31Å; T140-N142 PolarHBondContact O-N 3.49Å; T140-H143 PolarHBondContact O-N 2.89Å; T140-E144 PolarHBondContact O-N 3.37Å; T140-E144 VanDerWaalsContact O-N 3.13Å
141I51.3Low54.9Low75 Ų7587.4 Ų87.439%0.38545%0.454SS..Hα-helixtrans-63.4-38.5179.9-69.9164.6000111.1N137 F138 H143 E144 Q145N137-I141 WeakPolarHBondContact O-CD1 3.5Å; N137-I141 VanDerWaalsContact O-CG1 3.23Å; N137-I141 WeakPolarHBondContact O-CG1 3.5Å; N137-I141 PolarHBondContact O-N 2.68Å; F138-I141 PolarHBondContact O-N 2.98Å; I141-H143 PolarHBondContact O-N 3.38Å; I141-E144 PolarHBondContact O-N 3.08Å; I141-Q145 PolarHBondContact O-N 3.32Å
142N46.1Very low52.6Low58 Ų5891 Ų9131%0.3148%0.48SS..Hα-helixtrans-66.1-37.3178.8-69.2-14000112.2F138 T140 Q145 E146 N369F138-N142 PolarHBondContact O-N 3.32Å; T140-N142 VanDerWaalsContact C-N 3.31Å; T140-N142 PolarHBondContact O-N 3.49Å; N142-Q145 PolarHBondContact O-N 2.9Å; N142-E146 PolarHBondContact O-N 3.46Å; N142-N369 PolarHBondContact OD1-ND2 3.15Å; N142-N369 VanDerWaalsContact OD1-ND2 3.14Å
143H39.7Very low50Low129 Ų12999.4 Ų99.460%0.59751%0.506SS*.Hα-helixtrans-71.5-31.4176-86-41.3000113.6T140 I141 E146 N147T140-H143 PolarHBondContact O-N 2.89Å; I141-H143 PolarHBondContact O-N 3.38Å; H143-E146 IonicContact ND1-OE2 3.69Å; H143-N147 PolarHBondContact O-N 3.45Å; H143-N147 PolarHBondContact O-ND2 3.34Å
144E41.1Very low47.7Very low145 Ų145103.1 Ų103.168%0.67853%0.527SS*.Hα-helixtrans-70.2-38171.8-72.6-167.8160.500111.6T140 I141 N147 I148T140-E144 PolarHBondContact O-N 3.37Å; T140-E144 VanDerWaalsContact O-N 3.13Å; I141-E144 PolarHBondContact O-N 3.08Å; E144-N147 PolarHBondContact O-N 3.43Å; E144-I148 WeakPolarHBondContact O-CD1 3.17Å; E144-I148 WeakPolarHBondContact O-CG1 3.36Å
145Q40.7Very low45.2Very low67 Ų67109.7 Ų109.731%0.31356%0.562SS.*Hα-helixtrans-72.3-35.9176.6-82.8-177.9-4000113.7I141 N142 N147 I148 N149I141-Q145 PolarHBondContact O-N 3.32Å; N142-Q145 PolarHBondContact O-N 2.9Å; Q145-N147 PolarHBondContact O-N 3.25Å; Q145-I148 PolarHBondContact O-N 3.02Å; Q145-N149 PolarHBondContact O-N 2.92Å
146E38.3Very low42.8Very low130 Ų130111.3 Ų111.361%0.60758%0.579SS**Hα-helixtrans-62.7-30.8174-86.5-173150.100112.5N142 H143 I148N142-E146 PolarHBondContact O-N 3.46Å; H143-E146 IonicContact ND1-OE2 3.69Å; E146-I148 VanDerWaalsContact C-N 3.27Å; E146-I148 PolarHBondContact O-N 3.04Å
147N40.8Very low40.5Very low133 Ų133112.1 Ų112.171%0.71159%0.586SS**THydrogen-bonded Turntrans-75.5-13173.6-85.7-47.3000114.2H143 E144 Q145H143-N147 PolarHBondContact O-N 3.45Å; H143-N147 PolarHBondContact O-ND2 3.34Å; E144-N147 PolarHBondContact O-N 3.43Å; Q145-N147 PolarHBondContact O-N 3.25Å
148I41.5Very low38.7Very low111 Ų111116.9 Ų116.957%0.56961%0.61SS**THydrogen-bonded Turntrans-92.4-24.1178.1-61.7165000111.3E144 Q145 E146E144-I148 WeakPolarHBondContact O-CD1 3.17Å; E144-I148 WeakPolarHBondContact O-CG1 3.36Å; Q145-I148 PolarHBondContact O-N 3.02Å; E146-I148 VanDerWaalsContact C-N 3.27Å; E146-I148 PolarHBondContact O-N 3.04Å
149N34.2Very low36.9Very low129 Ų129121.4 Ų121.469%0.6965%0.646SS**SBendtrans-91.84.7-176-74.7-19.3000115.4Q145 T151Q145-N149 PolarHBondContact O-N 2.92Å; N149-T151 PolarHBondContact O-N 2.71Å
150Q30.5Very low35.6Very low162 Ų162127.8 Ų127.876%0.75767%0.665SS**  trans-79.965.7159.2-68.8-168.729.900110P152Q150-P152 WeakPolarHBondContact O-CD 3.44Å
151T30.9Very low34.6Very low115 Ų115129.6 Ų129.671%0.70668%0.678SS**  trans-72.4110.2169.1-240000107.4N149 R153N149-T151 PolarHBondContact O-N 2.71Å; T151-R153 PolarHBondContact O-N 2.94Å
152P36Very low33.6Very low100 Ų100137.7 Ų137.765%0.64970%0.704SS**  trans-67138.5171.3-8.226.1000107.2Q150 V154Q150-P152 WeakPolarHBondContact O-CD 3.44Å; P152-V154 VanDerWaalsContact C-N 3.33Å; P152-V154 WeakPolarHBondContact O-CG2 3.43Å; P152-V154 PolarHBondContact O-N 3.47Å
153R27.9Very low32.9Very low241 Ų241141.1 Ų141.191%0.90973%0.727SS**  trans-54.991.2171.8-167.8179-175.1174.91.8109.5T151 D155T151-R153 PolarHBondContact O-N 2.94Å; R153-D155 PolarHBondContact O-N 2.88Å
154V30.2Very low32.7Very low114 Ų114141 Ų14169%0.69173%0.729SS**  trans-87.195176.7-176.70000108.4P152P152-V154 VanDerWaalsContact C-N 3.33Å; P152-V154 WeakPolarHBondContact O-CG2 3.43Å; P152-V154 PolarHBondContact O-N 3.47Å
155D26.1Very low31.9Very low146 Ų146143 Ų14378%0.78174%0.739SS**  trans-69.2134.3145.4-77.7-42.6000108R153R153-D155 PolarHBondContact O-N 2.88Å
156S27.1Very low31.5Very low97 Ų97146.6 Ų146.668%0.67876%0.76SS**SBendtrans85.687.2169.4-1360000118.2
157I26.6Very low31.1Very low152 Ų152147.6 Ų147.678%0.77977%0.77SS**  41.5116.1124.5-50170.9000117.4
158L29.3Very low30.3Very low162 Ų162146.5 Ų146.585%0.84877%0.773SS**  trans78.876.9155.6-145.480.4000116.4
159S26.6Very low29.8Very low129 Ų129147.7 Ų147.790%0.90278%0.779SS**  trans-147.1130.1156.6-72.50000111.1
160K29.7Very low29.6Very low206 Ų206147.2 Ų147.290%0.89678%0.78SS**PPolyproline II helixtrans-67.8157.9-166.5-74.3172.1176.6174.60113.9
161P32.1Very low29.6Very low121 Ų121146.6 Ų146.679%0.78678%0.782SS**PPolyproline II helixtrans-80.2141.3-1720.817.9000113
162R30.6Very low29.4Very low244 Ų244149 Ų14992%0.92179%0.785SS**PPolyproline II helixtrans-68.2125.1175.9-118.3175.2-176.4170.41.2110.9
163T30Very low29Very low130 Ų130153.7 Ų153.780%0.79880%0.796SS**  trans-92.1113.7174.2-37.60000110
164I35.7Very low29Very low126 Ų126149 Ų14965%0.64679%0.788SS**  trans-79.3115.9171.4-63169.4000107.3N166I164-N166 PolarHBondContact O-N 2.67Å; I164-N166 VanDerWaalsContact O-N 3.15Å
165Q25.3Very low28.8Very low187 Ų187148.9 Ų148.987%0.87479%0.792SS**  trans-7791.7175.9-77.5-176.9-17.800109.6
166N31.2Very low29.1Very low144 Ų144146.7 Ų146.777%0.7779%0.787SS**  trans-85.4126.2167.2-79.2-13.1000109.9I164 S168I164-N166 PolarHBondContact O-N 2.67Å; I164-N166 VanDerWaalsContact O-N 3.15Å; N166-S168 PolarHBondContact O-N 3.36Å
167N30Very low29.2Very low151 Ų151144.7 Ų144.781%0.80778%0.782SS**  trans-46.9120.1-178.3-74-32000112I169N167-I169 VanDerWaalsContact C-N 3.25Å; N167-I169 PolarHBondContact O-N 3.22Å
168S25.5Very low29.4Very low110 Ų110145 Ų14577%0.76978%0.784SS**  trans-64.481170.2160.70000110.1N166 T170N166-S168 PolarHBondContact O-N 3.36Å; S168-T170 PolarHBondContact O-N 3.41Å
169I30.8Very low29.4Very low136 Ų136145.5 Ų145.570%0.69778%0.782SS**  trans-84.3103.3155.4-60.9176.6000105.3N167 N171N167-I169 VanDerWaalsContact C-N 3.25Å; N167-I169 PolarHBondContact O-N 3.22Å; I169-N171 VanDerWaalsContact C-N 3.31Å; I169-N171 PolarHBondContact O-N 3.44Å
170T28.8Very low29.8Very low118 Ų118147.8 Ų147.872%0.72478%0.776SS**  trans-58.593.5173.845.40000109S168 Q172S168-T170 PolarHBondContact O-N 3.41Å; T170-Q172 VanDerWaalsContact C-N 3.3Å; T170-Q172 PolarHBondContact O-N 3.13Å
171N30.2Very low29.9Very low149 Ų149144.8 Ų144.880%0.79777%0.769SS**  trans-65.693169.8-76.3-38.9000108.1I169 K173I169-N171 VanDerWaalsContact C-N 3.31Å; I169-N171 PolarHBondContact O-N 3.44Å; N171-K173 PolarHBondContact O-N 2.66Å
172Q27.5Very low29.8Very low165 Ų165146.5 Ų146.577%0.77177%0.771SS**  trans-57.8114165-103.5-177.811.400107.6T170 L174T170-Q172 VanDerWaalsContact C-N 3.3Å; T170-Q172 PolarHBondContact O-N 3.13Å; Q172-L174 VanDerWaalsContact C-N 3.26Å; Q172-L174 PolarHBondContact O-N 2.91Å
173K26.7Very low29.7Very low200 Ų200139.3 Ų139.387%0.8776%0.758SS**  trans-66.779.3-179.8-165.2177.8-174.5-1800109.3N171 S175N171-K173 PolarHBondContact O-N 2.66Å; K173-S175 PolarHBondContact O-N 2.84Å
174L29.1Very low29.6Very low142 Ų142140.3 Ų140.374%0.74375%0.754SS**  trans-81.179.3168.8-66.8177.2000108.8Q172 C176Q172-L174 VanDerWaalsContact C-N 3.26Å; Q172-L174 PolarHBondContact O-N 2.91Å; L174-C176 PolarHBondContact O-N 2.86Å
175S26.7Very low29.3Very low111 Ų111141.3 Ų141.378%0.77676%0.76SS**  trans-71.796.9160.5161.10000108K173K173-S175 PolarHBondContact O-N 2.84Å
176C32.1Very low29.4Very low100 Ų100137.6 Ų137.668%0.67676%0.755SS**  trans-136.797.9163.138.70000108.2L174L174-C176 PolarHBondContact O-N 2.86Å
177G27.9Very low29.3Very low55 Ų55138.8 Ų138.857%0.56776%0.76SS**  trans-65.3161.2175.500000111.9E179G177-E179 PolarHBondContact O-N 2.98Å
178L31.4Very low29.2Very low159 Ų159138.8 Ų138.883%0.83276%0.76SS**SBendtrans-72.257.9-171.5-69160.4000113.2
179E29Very low29.3Very low172 Ų172142.1 Ų142.180%0.80476%0.763SS**  trans-84.8-14.1-178.1-48.6-164.2-130.600112.6G177G177-E179 PolarHBondContact O-N 2.98Å
180F36.5Very low29.2Very low178 Ų178142.9 Ų142.978%0.78177%0.768SS**THydrogen-bonded Turntrans-80.2-16.1-174.4-174.1-105.1000115.4
181L29.8Very low29.1Very low143 Ų143144.2 Ų144.275%0.74977%0.77SS**THydrogen-bonded Turntrans-9910.8-174.4-71.6176.5000115.5
182L31.2Very low28.9Very low156 Ų156143.5 Ų143.582%0.81777%0.766SS**  trans-126.79.6174.4-71.3174.1000115.1Q184L182-Q184 PolarHBondContact O-N 3.07Å
183S28.4Very low29Very low94 Ų94141.9 Ų141.966%0.65776%0.763SS**  trans-77.882.9165.463.80000109.8
184Q27.8Very low29.2Very low151 Ų151137.5 Ų137.571%0.70676%0.757SS**  trans-47.8132.6164.3-75.5-11746.700111.7L182 S186L182-Q184 PolarHBondContact O-N 3.07Å; Q184-S186 PolarHBondContact O-N 3.19Å
185N30Very low29.1Very low146 Ų146137.9 Ų137.978%0.78176%0.76SS**  trans38.480.5144.6-58-20.2000116.8
186S27.2Very low29.3Very low110 Ų110138.8 Ų138.877%0.76976%0.761SS**  trans-138.566.4151.449.60000109.7Q184Q184-S186 PolarHBondContact O-N 3.19Å
187I28.5Very low29.1Very low168 Ų168139.4 Ų139.486%0.86276%0.763SS**  trans-105.568157.5-51.1175.6000105.9
188N28.5Very low29Very low151 Ų151142.5 Ų142.581%0.80778%0.775SS**  trans-120.7130.7152.6-81-24000104.7
189E27.9Very low29.2Very low180 Ų180140.4 Ų140.484%0.84177%0.774SS**  trans71.285.2177.4-69-178.8132.700117.4
190L27.5Very low29.7Very low153 Ų153137.6 Ų137.680%0.80177%0.77SS**  -147.476.3126.6-110.4141.9000108D192L190-D192 HydrophobicContact CD2-CB 4.32Å; L190-D192 PolarHBondContact O-N 3.05Å
191L27.2Very low29.6Very low145 Ų145137.2 Ų137.276%0.75978%0.775SS**  trans-57108.3144.4-91.7121.6000106
192D27.3Very low29.6Very low134 Ų134134.8 Ų134.872%0.71777%0.77SS**  trans-136.8116.4151.5-105.5-29.8000109.9L190 S194L190-D192 HydrophobicContact CD2-CB 4.32Å; L190-D192 PolarHBondContact O-N 3.05Å; D192-S194 PolarHBondContact O-N 3.25Å
193N28.5Very low29.7Very low132 Ų132135 Ų13571%0.70677%0.771SS**  trans-61.7107.4-174.8-61.7-58.2000110.2
194S30Very low29.9Very low108 Ų108135 Ų13576%0.75577%0.771SS**  trans-97.887156.854.60000108.9D192 V196D192-S194 PolarHBondContact O-N 3.25Å; S194-V196 PolarHBondContact O-N 3Å
195N27.8Very low29.9Very low149 Ų149134 Ų13480%0.79778%0.775SS**  trans-57.799.1159.4-77.8-32.5000108.3P197N195-P197 WeakPolarHBondContact O-CD 3.45Å
196V31.5Very low30.3Very low131 Ų131133.4 Ų133.479%0.79478%0.779SS**  trans-98.1107.6160.9-178.10000107.1S194S194-V196 PolarHBondContact O-N 3Å
197P27.9Very low30.6Very low112 Ų112132.9 Ų132.973%0.72778%0.776SS**  trans-78151.7-17631.6-32.4000111.7N195N195-P197 WeakPolarHBondContact O-CD 3.45Å
198C26Very low30.8Very low120 Ų120129.4 Ų129.481%0.81177%0.766SS**  trans-42.5151.3175.7-50.50000115.4
199S34.7Very low31.2Very low116 Ų116130.6 Ų130.681%0.81177%0.77SS**  -167.3149.2114.7-79.40000112.4
200P39.9Very low31.4Very low112 Ų112128.4 Ų128.473%0.72777%0.765SS**  trans-96.4146.7-164.536.8-30.6000112.2
201I34.2Very low31.6Very low171 Ų171126.9 Ų126.988%0.87776%0.762SS**  trans-105.295.1161.6-61.5173.8000107.1
202S30.4Very low31.9Very low92 Ų92125.9 Ų125.964%0.64377%0.767SS**  trans-66.1139.8152.6-57.10000108.9
203L32Very low32.1Very low161 Ų161124.9 Ų124.984%0.84377%0.77SS**  trans-164.5107.2131.2-122.792.7000110.6
204S32Very low32.4Very low94 Ų94124 Ų12466%0.65778%0.775SS**  trans52.3109.9137.148.70000121.5
205T28.5Very low32.4Very low130 Ų130124 Ų12480%0.79877%0.774SS**  trans-35138.9145.942.70000116.5
206P37.9Very low32.5Very low133 Ų133126.3 Ų126.386%0.86478%0.778SS**  trans-90.2120.4145.31.418.4000109.7
207S34.2Very low32.4Very low99 Ų99124.4 Ų124.469%0.69277%0.77SS**  trans-78.9145.2175.450.40000112.9
208S33.4Very low32.4Very low94 Ų94124.6 Ų124.666%0.65777%0.774SS**  trans50.4109.114261.50000119.7
209I36.1Very low32.7Very low176 Ų176124.1 Ų124.190%0.90377%0.772SS**  trans-127.4120.9138-65179.1000107.9
210D32.2Very low32.3Very low135 Ų135128.3 Ų128.372%0.72278%0.776SS**  trans-71.2155.8-174.8-79.9-52000114.8
211T32.1Very low32Very low121 Ų121128.1 Ų128.174%0.74278%0.775SS**  trans-17.9134.7154.852.80000117.3
212S33.4Very low31.8Very low123 Ų123129.7 Ų129.786%0.8678%0.775SS**  -154.8124.5129.2-61.70000111.2
213S31.9Very low31.7Very low113 Ų113131.2 Ų131.279%0.7978%0.781SS**  trans-55.7139.4169.345.90000114.9
214S34.4Very low31.6Very low115 Ų115132.9 Ų132.980%0.80478%0.781SS**  trans-153.499.2140.4660000110.4
215S29.8Very low31.4Very low106 Ų106132.1 Ų132.174%0.74178%0.775SS**  trans-60.7124.9157.924.50000109.9
216F30.9Very low31.4Very low199 Ų199132.5 Ų132.587%0.87377%0.771SS**  trans-154.2116.4150.5-105.5-75.5000112.7
217S28.3Very low31Very low91 Ų91132.9 Ų132.964%0.63676%0.761SS**  trans38.5113.5147690000121
218S27.9Very low30.7Very low116 Ų116134.6 Ų134.681%0.81176%0.763SS**  trans-6.1116.5137.963.50000117.7
219S32.4Very low30.6Very low109 Ų109135.4 Ų135.476%0.76276%0.764SS**  trans-139.4106.4143.357.10000108.1P221S219-P221 VanDerWaalsContact O-CD 3.25Å; S219-P221 WeakPolarHBondContact O-CD 3.31Å
220K26.9Very low30.2Very low204 Ų204134.2 Ų134.289%0.88776%0.759SS**  trans-49.5115.5176.4-66.2179.2176.1179.70110.6K222K220-K222 PolarHBondContact O-N 3.46Å
221P32.4Very low30.1Very low108 Ų108133.2 Ų133.270%0.70176%0.759SS**  trans-81.1118.316012.93.9000107.4S219 T223S219-P221 VanDerWaalsContact O-CD 3.25Å; S219-P221 WeakPolarHBondContact O-CD 3.31Å; P221-T223 PolarHBondContact O-N 3.18Å
222K30.1Very low29.9Very low205 Ų205135.3 Ų135.389%0.89177%0.765SS**  trans-60.489.4163.7-82.3174.3173.5172.90108.1K220 K224K220-K222 PolarHBondContact O-N 3.46Å; K222-K224 PolarHBondContact O-N 2.98Å; K222-K224 VanDerWaalsContact O-N 3.13Å
223T29.3Very low29.7Very low123 Ų123137.7 Ų137.776%0.75576%0.762SS**  trans-70.2104.1166.441.60000108P221 S225P221-T223 PolarHBondContact O-N 3.18Å; T223-S225 VanDerWaalsContact C-N 3.3Å; T223-S225 PolarHBondContact O-N 3.27Å
224K29Very low29.6Very low197 Ų197140.9 Ų140.986%0.85777%0.765SS**  trans-60.998.2159.7-72.2178.3177.2178.60106.7K222 I226K222-K224 PolarHBondContact O-N 2.98Å; K222-K224 VanDerWaalsContact O-N 3.13Å; K224-I226 PolarHBondContact O-N 3Å
225S28.9Very low29.3Very low77 Ų77141.3 Ų141.354%0.53876%0.758SS.*  trans-65.797.2169.3175.80000107.8T223 H227T223-S225 VanDerWaalsContact C-N 3.3Å; T223-S225 PolarHBondContact O-N 3.27Å; S225-H227 VanDerWaalsContact C-N 3.31Å; S225-H227 PolarHBondContact O-N 3.48Å; S225-H227 PolarHBondContact OG-CD2 3.29Å; S225-H227 PolarHBondContact OG-CE1 3.29Å; S225-H227 PolarHBondContact OG-NE2 3.37Å
226I28.7Very low29.2Very low139 Ų139140.7 Ų140.771%0.71375%0.754SS**  trans-75.797161.6-63.4174.4000104.6K224 D228K224-I226 PolarHBondContact O-N 3Å; I226-D228 VanDerWaalsContact C-N 3.25Å; I226-D228 PolarHBondContact O-N 3.44Å
227H29.4Very low29.2Very low140 Ų140137.6 Ų137.665%0.64875%0.746SS**  trans-70.382.5171.6-76.8-81.3000109.2S225 T229S225-H227 VanDerWaalsContact C-N 3.31Å; S225-H227 PolarHBondContact O-N 3.48Å; S225-H227 PolarHBondContact OG-CD2 3.29Å; S225-H227 PolarHBondContact OG-CE1 3.29Å; S225-H227 PolarHBondContact OG-NE2 3.37Å; H227-T229 PolarHBondContact O-N 2.95Å
228D27.8Very low29.1Very low136 Ų136141.9 Ų141.973%0.72776%0.756SS**  trans-8562.8158.1-75.4-26.4000108.6I226 L230I226-D228 VanDerWaalsContact C-N 3.25Å; I226-D228 PolarHBondContact O-N 3.44Å; D228-L230 VanDerWaalsContact C-N 3.34Å; D228-L230 PolarHBondContact O-N 3.25Å; D228-L230 VanDerWaalsContact O-N 3.07Å
229T30.7Very low29.2Very low110 Ų110140.6 Ų140.668%0.67575%0.746SS**  trans-73.593.2164.533.50000108H227 P231H227-T229 PolarHBondContact O-N 2.95Å; T229-P231 WeakPolarHBondContact O-CD 3.44Å
230L27.7Very low28.9Very low152 Ų152141.5 Ų141.580%0.79675%0.747SS**  trans-56.6122.7159.7-95.788.7000108.1D228 L232D228-L230 VanDerWaalsContact C-N 3.34Å; D228-L230 PolarHBondContact O-N 3.25Å; D228-L230 VanDerWaalsContact O-N 3.07Å; L230-L232 PolarHBondContact O-N 3.49Å
231P29.7Very low28.7Very low113 Ų113141.2 Ų141.273%0.73475%0.749SS**  trans-71.9107.9-179.226.4-29.1000109.4T229 H233T229-P231 WeakPolarHBondContact O-CD 3.44Å; P231-H233 VanDerWaalsContact C-N 3.34Å; P231-H233 PolarHBondContact O-N 2.96Å
232L28.8Very low28.6Very low166 Ų166142.6 Ų142.687%0.86976%0.755SS**  trans-60.297.7163.2-90.6144000108.2L230 Q234L230-L232 PolarHBondContact O-N 3.49Å; L232-Q234 VanDerWaalsContact C-N 3.32Å; L232-Q234 PolarHBondContact O-N 3.44Å
233H28Very low28.3Very low173 Ų173142.1 Ų142.180%0.80176%0.757SS**  trans-66.188.1176.5-138.7-82.9000108.8P231 N235P231-H233 VanDerWaalsContact C-N 3.34Å; P231-H233 PolarHBondContact O-N 2.96Å; H233-N235 PolarHBondContact O-N 2.9Å; H233-N235 VanDerWaalsContact O-N 3.15Å
234Q30.8Very low28.1Very low179 Ų179145 Ų14584%0.83676%0.764SS**  trans-70.5106.5169.7-76.8-169.9-7.100108.6L232 S236L232-Q234 VanDerWaalsContact C-N 3.32Å; L232-Q234 PolarHBondContact O-N 3.44Å; Q234-S236 PolarHBondContact O-N 3.32Å; Q234-S236 VanDerWaalsContact O-N 3.09Å
235N27.6Very low27.9Very low125 Ų125143.5 Ų143.567%0.66876%0.764SS**  trans-79.983.2-175.9-151.81.9000109.7H233 N237H233-N235 PolarHBondContact O-N 2.9Å; H233-N235 VanDerWaalsContact O-N 3.15Å; N235-N237 PolarHBondContact O-N 2.98Å; N235-N237 PolarHBondContact OD1-ND2 3.29Å
236S28.3Very low27.6Very low93 Ų93144.9 Ų144.965%0.6577%0.774SS**  trans-8982175.461.60000110.8Q234 H238Q234-S236 PolarHBondContact O-N 3.32Å; Q234-S236 VanDerWaalsContact O-N 3.09Å; S236-H238 PolarHBondContact O-N 3.25Å
237N31.6Very low27.5Very low134 Ų134146.2 Ų146.272%0.71778%0.78SS**  trans-83.192.5173.9-75.6-35.4000110.6N235 C239N235-N237 PolarHBondContact O-N 2.98Å; N235-N237 PolarHBondContact OD1-ND2 3.29Å; N237-C239 PolarHBondContact O-N 3.01Å
238H26.3Very low27.2Very low180 Ų180148 Ų14883%0.83379%0.786SS**  trans-70116.8165.9-74.5-73.6000109.7S236S236-H238 PolarHBondContact O-N 3.25Å
239C28Very low27.2Very low90 Ų90148.9 Ų148.961%0.60879%0.791SS**  trans-97.3115.5179.4-178.80000111.2N237 K343N237-C239 PolarHBondContact O-N 3.01Å; C239-K343 PolarHBondContact SG-NZ 3.27Å
240T26.8Very low27.1Very low128 Ų128149.3 Ų149.379%0.78580%0.799SS**  trans-74.3137.4169.625.70000111.4T242T240-T242 PolarHBondContact O-N 2.72Å
241Q23.9Very low27.2Very low197 Ų197152 Ų15292%0.92180%0.804SS**  trans-85.1103.7-171-171.3177.224.400110.6
242T29.2Very low27.1Very low137 Ų137152.7 Ų152.784%0.8481%0.806SS**PPolyproline II helixtrans-94.6130.917233.20000111.7T240T240-T242 PolarHBondContact O-N 2.72Å
243Q23.1Very low27Very low196 Ų196151.8 Ų151.892%0.91680%0.801SS**PPolyproline II helixtrans-56.8135.8-174.9-82.1171.6-22.800114.1
244M26.4Very low27.1Very low183 Ų183149.1 Ų149.190%0.90180%0.797SS**PPolyproline II helixtrans-68.8123172.5-81.6-163.874.500112
245L24Very low27.1Very low166 Ų166147.6 Ų147.687%0.86979%0.794SS**  trans-89115.6160.4-84.7157.2000109.3
246S22.5Very low27.3Very low106 Ų106146.7 Ų146.774%0.74180%0.798SS**  trans-69.2122.5175.31780000110.7
247I26.9Very low27.4Very low166 Ų166149.1 Ų149.185%0.85180%0.802SS**  trans-113.4100.3165.2-58.3178.3000107.8
248K23.6Very low27.4Very low178 Ų178150 Ų15077%0.77481%0.807SS**  trans-76.1120.7170.6-166178.3-172.9178.20107.9
249N27.7Very low27.7Very low155 Ų155148.3 Ų148.383%0.82980%0.802SS**  trans148.986.6148.2-74.9-14.6000111.8
250S28.6Very low27.7Very low119 Ų119150.9 Ų150.983%0.83281%0.809SS**  trans-124.4110.4156.151.60000108.9
251K29.3Very low27.6Very low208 Ų208156.1 Ų156.190%0.90481%0.814SS**  trans-74.1123.4175.1-119.6175.3178.6177.90108.2I253K251-I253 PolarHBondContact O-N 3.13Å
252T27.6Very low27.9Very low127 Ų127155.3 Ų155.378%0.77981%0.808SS**  trans-59.3114.3177.9-400000111.3T254T252-T254 HydrophobicContact CG2-CG2 4.26Å
253I27.7Very low27.9Very low147 Ų147154.5 Ų154.575%0.75481%0.808SS**  trans-99.9105.5166.1-62.1176.1000106.9K251 N255K251-I253 PolarHBondContact O-N 3.13Å; I253-N255 PolarHBondContact O-N 3.31Å
254T29.6Very low28.1Very low118 Ų118152.8 Ų152.872%0.72480%0.804SS**  trans-78.5104.2174.845.60000109.7T252 S256T252-T254 HydrophobicContact CG2-CG2 4.26Å; T254-S256 PolarHBondContact O-N 3.26Å
255N30.8Very low28.1Very low147 Ų147149.7 Ų149.779%0.78680%0.795SS**  trans-72.9100.2172.2-86.5-20.2000110.6I253 I257I253-N255 PolarHBondContact O-N 3.31Å; N255-I257 PolarHBondContact O-N 3.11Å
256S31.6Very low28.2Very low105 Ų105147.8 Ų147.873%0.73479%0.791SS**  trans-80.4105.6166.139.20000109.9T254 N258T254-S256 PolarHBondContact O-N 3.26Å; S256-N258 PolarHBondContact O-N 3.03Å; S256-N258 VanDerWaalsContact O-N 3.11Å
257I30.2Very low28.3Very low144 Ų144152.8 Ų152.874%0.73880%0.795SS**  trans-7691.7175.2-59.5169.6000108.3N255 I259N255-I257 PolarHBondContact O-N 3.11Å; I257-I259 HydrophobicContact CG2-CG1 3.9Å; I257-I259 PolarHBondContact O-N 3.47Å
258N31.4Very low28.2Very low154 Ų154154.9 Ų154.982%0.82480%0.798SS**  trans-86.1101.7166.1-88.5-23000109.3S256 L260S256-N258 PolarHBondContact O-N 3.03Å; S256-N258 VanDerWaalsContact O-N 3.11Å; N258-L260 PolarHBondContact O-N 2.95Å; N258-L260 VanDerWaalsContact O-N 3.13Å
259I32.9Very low28.2Very low143 Ų143154.7 Ų154.773%0.73380%0.804SS**  trans-70.199.9176.1-59.8175.1000108.8I257 R261I257-I259 HydrophobicContact CG2-CG1 3.9Å; I257-I259 PolarHBondContact O-N 3.47Å; I259-R261 PolarHBondContact O-N 3.17Å
260L28.7Very low28.1Very low144 Ų144153.2 Ų153.275%0.75481%0.806SS**  trans-79.696175.3-157.485.9000109.7N258 K262N258-L260 PolarHBondContact O-N 2.95Å; N258-L260 VanDerWaalsContact O-N 3.13Å; L260-K262 HydrophobicContact CD2-CG 4.47Å; L260-K262 PolarHBondContact O-N 3.06Å
261R24Very low28.1Very low238 Ų238153.8 Ų153.890%0.89880%0.804SS**  trans-71.6110.4170.4-78.4-179-178.4151.60.1109.9I259I259-R261 PolarHBondContact O-N 3.17Å
262K30.8Very low28.1Very low180 Ų180149.2 Ų149.278%0.78380%0.799SS**PPolyproline II helixtrans-101.8125166.7-78.8-176176179.30110.4L260L260-K262 HydrophobicContact CD2-CG 4.47Å; L260-K262 PolarHBondContact O-N 3.06Å
263S28.5Very low28.1Very low120 Ų120151.4 Ų151.484%0.83980%0.8SS**PPolyproline II helixtrans-78.3135.7-179.6-36.10000111.3
264I26.3Very low28.1Very low161 Ų161149.9 Ų149.983%0.82680%0.798SS**PPolyproline II helixtrans-97121.7-178.5-61.8169000109.3
265T28.2Very low28Very low118 Ų118154 Ų15472%0.72481%0.806SS**PPolyproline II helixtrans-100.2122.6176.1-27.90000110
266T25.5Very low27.6Very low126 Ų126155.7 Ų155.777%0.77381%0.809SS**PPolyproline II helixtrans-96.5126.3-174.8-450000111.3
267Y24.7Very low27.3Very low211 Ų211158.1 Ų158.183%0.82781%0.813SS**  trans-108137.1171.2-72.8-87000110.8
268K24.6Very low26.9Very low210 Ų210159.2 Ų159.291%0.91382%0.815SS**  trans-99.5133.9174.3-83.1-176.6174-1790110.1
269L24.5Very low26.7Very low173 Ų173158.4 Ų158.491%0.90681%0.81SS**  trans-134.7136.1173.1-157.376.4000110.4
270S23.6Very low26.3Very low124 Ų124158.3 Ų158.387%0.86781%0.811SS**  trans-100.3161.4-179.5-690000112.7
271T30Very low26.3Very low131 Ų131158 Ų15880%0.80482%0.816SS**  trans-114.3148.2-156.547.60000115.1
272S28.4Very low26.3Very low112 Ų112154 Ų15478%0.78381%0.812SS**  trans163.1144.6151.452.50000107.8
273E29Very low26.1Very low174 Ų174155 Ų15581%0.81382%0.819SS**  cis-172.1147.2-4.9-121.7-179175.600107.6
274T27.4Very low26Very low114 Ų114159 Ų15970%0.69982%0.822SS**  trans25.6131.1149.455.10000124.4
275K26.2Very low25.9Very low205 Ų205158.7 Ų158.789%0.89182%0.821SS**  178.5156.3106.9-93.6177.4-175.9-177.60114.5
276Q23.3Very low25.8Very low182 Ų182159.9 Ų159.985%0.8582%0.823SS**  trans-69.2153.6-170.3-69.8167.6-41.200117.6
277L25.1Very low25.8Very low157 Ų157161.5 Ų161.582%0.82282%0.822SS**  trans165.6116.1132.8-110110.5000107.6
278Q22.4Very low25.7Very low167 Ų167158.8 Ų158.878%0.7882%0.816SS**  64.999.471.5-138.4-178.68.800115.5
279N26.5Very low25.7Very low137 Ų137155.4 Ų155.473%0.73381%0.807SS**  167.6135.9122.8-87.3-10.5000115.5
280D25.6Very low25.7Very low140 Ų140155.3 Ų155.375%0.74980%0.802SS**  trans-21.2142.8162.3-54.4-46.5000120.2
281T27.2Very low25.9Very low139 Ų139156.6 Ų156.685%0.85380%0.798SS**  -171.8141.8104-0.60000114.1
282N25.1Very low25.6Very low152 Ų152156.1 Ų156.181%0.81380%0.797SS**  trans-51.3140.8174-60.7-73000115.6
283Q27Very low25.4Very low202 Ų202157.7 Ų157.794%0.94480%0.796SS**  trans-151.1137142.2-110.5173.446.100112.5
284K24.8Very low25.3Very low205 Ų205156.8 Ų156.889%0.89180%0.795SS**  trans-93114.7-165.6-158.5-176.6-168-178.90107.9
285L25.8Very low25.3Very low153 Ų153158.1 Ų158.180%0.80180%0.797SS**  trans-128.9102.9170.3-120.6150.1000108.8E287L285-E287 HydrophobicContact CD2-CG 3.9Å; L285-E287 PolarHBondContact O-N 2.91Å
286N24.4Very low25.3Very low143 Ų143155.2 Ų155.277%0.76579%0.791SS**  trans-95.176.3-174.3-16531000107.1Q288N286-Q288 PolarHBondContact O-N 3.34Å
287E26.2Very low25.4Very low160 Ų160152.3 Ų152.375%0.74879%0.791SS**  trans-92.195.3171.1-72.1-157.6167.900109.5L285 I289L285-E287 HydrophobicContact CD2-CG 3.9Å; L285-E287 PolarHBondContact O-N 2.91Å; E287-I289 PolarHBondContact O-N 2.73Å; E287-I289 VanDerWaalsContact O-N 3.08Å
288Q23.3Very low25.5Very low154 Ų154149.9 Ų149.972%0.7279%0.787SS**  trans-77.388.7178.4-154.8167.929.500108.7N286 H290N286-Q288 PolarHBondContact O-N 3.34Å; Q288-H290 PolarHBondContact O-N 3.11Å
289I25.1Very low25.7Very low140 Ų140151.3 Ų151.372%0.71879%0.791SS**  trans-67.1114.6173.4-60.8174.4000108.3E287 L291E287-I289 PolarHBondContact O-N 2.73Å; E287-I289 VanDerWaalsContact O-N 3.08Å; I289-L291 PolarHBondContact O-N 2.8Å
290H23.6Very low25.6Very low171 Ų171153.8 Ų153.879%0.79280%0.798SS**  trans-70.3105.7178.1-79.8-93.4000111Q288Q288-H290 PolarHBondContact O-N 3.11Å
291L27.3Very low25.7Very low151 Ų151155.7 Ų155.779%0.79181%0.807SS**  trans-72.6137.4169.1-81.690.9000111.2I289 L293I289-L291 PolarHBondContact O-N 2.8Å; L291-L293 PolarHBondContact O-N 2.89Å
292P23.8Very low25.5Very low120 Ų120158.8 Ų158.878%0.77981%0.809SS**  trans-66.9114.9166.8-14.127.7000110.1I294P292-I294 PolarHBondContact O-N 3.07Å
293L25.2Very low25.4Very low146 Ų146160 Ų16076%0.76481%0.81SS**  trans-64.1113.5174.6-149.687000109.3L291 L295L291-L293 PolarHBondContact O-N 2.89Å; L293-L295 VanDerWaalsContact C-N 3.26Å; L293-L295 HydrophobicContact CD2-CD1 3.69Å; L293-L295 HydrophobicContact CD2-CG 4.23Å; L293-L295 PolarHBondContact O-N 2.94Å
294I26.6Very low25.2Very low154 Ų154158.5 Ų158.579%0.7980%0.803SS**  trans-74.982.4174.5-55174.7000107.9P292 N296P292-I294 PolarHBondContact O-N 3.07Å; I294-N296 PolarHBondContact O-N 3.09Å
295L27.1Very low25.3Very low142 Ų142157.3 Ų157.374%0.74381%0.805SS**  trans-75.6105.9169.1-103.3136.9000108.7L293 S297L293-L295 VanDerWaalsContact C-N 3.26Å; L293-L295 HydrophobicContact CD2-CD1 3.69Å; L293-L295 HydrophobicContact CD2-CG 4.23Å; L293-L295 PolarHBondContact O-N 2.94Å; L295-S297 VanDerWaalsContact C-N 3.32Å; L295-S297 PolarHBondContact O-N 3.15Å
296N27.2Very low25.4Very low145 Ų145159 Ų15978%0.77581%0.809SS**  trans-59.792.4167.7-75.1-31.6000109.5I294 S298I294-N296 PolarHBondContact O-N 3.09Å; N296-S298 VanDerWaalsContact C-N 3.34Å; N296-S298 PolarHBondContact O-N 3.4Å
297S25Very low26.3Very low121 Ų121157.9 Ų157.985%0.84681%0.81SS**  trans-70.589.7173179.30000109.5L295L295-S297 VanDerWaalsContact C-N 3.32Å; L295-S297 PolarHBondContact O-N 3.15Å
298S26Very low26.2Very low106 Ų106156.3 Ų156.374%0.74182%0.816SS**  trans-122.286.4168.2-165.10000107.3N296N296-S298 VanDerWaalsContact C-N 3.34Å; N296-S298 PolarHBondContact O-N 3.4Å
299K27Very low26.2Very low196 Ų196157.8 Ų157.885%0.85282%0.823SS**  trans169.998.8162.1-94.9157.2-169.8-173.40108.5
300Q25.5Very low26.2Very low189 Ų189159.8 Ų159.888%0.88383%0.83SS**  trans159.482.2143.4-90-179.93.400109.6
301L26.5Very low26.2Very low180 Ų180160.3 Ų160.394%0.94283%0.832SS**  trans-161.863.4153.5-108.5140.2000108.1
302K22.5Very low26.1Very low204 Ų204162.6 Ų162.689%0.88784%0.839SS**  trans-118.395.1158.9-87.7-172.1176.4-177.20106.1
303Q24.4Very low26Very low177 Ų177165.9 Ų165.983%0.82784%0.844SS**  trans176.9140.5137.6-103.3170.418.100111.3
304Q23.2Very low25.9Very low171 Ų171168.3 Ų168.380%0.79985%0.851SS**  trans75.6103.2163.7-64.4178.3-4.100116.8
305L26.3Very low25.8Very low181 Ų181170.2 Ų170.295%0.94886%0.857SS**  -168.3110.6115.8-93.2141.1000108.4
306Q27.3Very low25.6Very low187 Ų187171.4 Ų171.487%0.87486%0.858SS**  trans-80.5160.5175.1-90.3-172.1-8.100111.6
307P43.6Very low25.4Very low121 Ų121172.3 Ų172.379%0.78686%0.858SS**  trans-100.2143.8-166.136.8-29.9000114.2
308S23.3Very low25.2Very low126 Ų126174.8 Ų174.888%0.88185%0.854SS**  trans-108.2129.9169-46.70000110.2
309Q24.1Very low25.1Very low186 Ų186179.6 Ų179.687%0.86986%0.857SS**  trans-81.2154.5179.3-60.5179-6.600113
310Q25.8Very low24.9Very low182 Ų182175.4 Ų175.485%0.8585%0.853SS**  trans152.8103.2138.3-84.51793.200110
311Q22.2Very low24.7Very low182 Ų182173.7 Ų173.785%0.8585%0.848SS**  55.7109.3102-89.7-172.8-1.700116.4
312Q25.6Very low24.7Very low199 Ų199171.1 Ų171.193%0.9384%0.835SS**  -173.1142.4114.1-102.517626.700113.2
313Q22.3Very low25.1Very low189 Ų189170.7 Ų170.788%0.88383%0.833SS**  trans-66.5134.4-176.9-62.9159.5-5.600112.5
314Q23.2Very low25.5Very low197 Ų197167.1 Ų167.192%0.92183%0.828SS**  trans-142.4144.3149.9-75.4-164.310.800111.4
315Q23.5Very low25.7Very low193 Ų193167 Ų16790%0.90283%0.827SS**  trans-74.1141.3-154.9-66.2163.95.200113.6Q317Q315-Q317 PolarHBondContact O-N 3.33Å
316Q23Very low25.8Very low167 Ų167165.7 Ų165.778%0.7882%0.82SS**  trans-66.6108.4172.8-69.7168.8-000110.2F318Q316-F318 HydrophobicContact CB-CE2 4.47Å
317Q22.3Very low25.8Very low164 Ų164163.8 Ų163.877%0.76682%0.815SS**  trans-92.5111.6158.6-77.1-164.1-15.500108.7Q315 Y319Q315-Q317 PolarHBondContact O-N 3.33Å; Q317-Y319 PolarHBondContact O-N 3.48Å
318F22Very low24.9Very low174 Ų174163.9 Ų163.976%0.76381%0.809SS**  trans-64.3118.4174.1-76.6-95.8000110Q316 S320Q316-F318 HydrophobicContact CB-CE2 4.47Å; F318-S320 PolarHBondContact O-N 2.85Å
319Y23.2Very low25.4Very low207 Ų207163.1 Ų163.181%0.81280%0.801SS**  trans-85.697.7165.6-74.5-83.2000109.1Q317 I321Q317-Y319 PolarHBondContact O-N 3.48Å; Y319-I321 PolarHBondContact O-N 3.13Å
320S22.6Very low25.6Very low108 Ų108161.1 Ų161.176%0.75580%0.796SS**  trans-77.4104.6169.9-53.50000109.3F318 N322F318-S320 PolarHBondContact O-N 2.85Å; S320-N322 PolarHBondContact O-N 2.98Å
321I22.7Very low25.7Very low152 Ų152159.7 Ų159.778%0.77979%0.794SS**  trans-80.3112.6173.2-62.7173.8000108.3Y319Y319-I321 PolarHBondContact O-N 3.13Å
322N25.7Very low25.9Very low127 Ų127158.8 Ų158.868%0.67979%0.793SS**  trans-74.5133.4179.9-113.6-28.5000111.2S320 S324 Q325S320-N322 PolarHBondContact O-N 2.98Å; N322-S324 PolarHBondContact O-N 3.18Å; N322-Q325 PolarHBondContact O-N 3.12Å
323K31Very low25.9Very low194 Ų194159.2 Ų159.284%0.84379%0.792SS**G310 helixtrans-58.6-11.7-173.3-124.9175-177177.40115.3
324S32.6Very low26Very low102 Ų102154.5 Ų154.571%0.71378%0.78SS**G310 helixtrans-84.1-4-176.451.30000115.2N322N322-S324 PolarHBondContact O-N 3.18Å
325Q28.5Very low26.1Very low168 Ų168149.6 Ų149.679%0.78577%0.768SS**G310 helixtrans-88-0175.9-71.7-175.4-11.200114.6N322N322-Q325 PolarHBondContact O-N 3.12Å
326L27.8Very low26.5Very low154 Ų154147.4 Ų147.481%0.80677%0.768SS**G310 helixtrans-91.12.9-177.5-101.7151.7000115.2
327I27.6Very low26.8Very low147 Ų147146.2 Ų146.275%0.75477%0.767SS**  trans-125.270.6-179.4-45.7177.1000109.5
328N24.6Very low27Very low124 Ų124146.8 Ų146.866%0.66377%0.769SS**  trans-151.493.4157.9-131-21.8000110.7N330N328-N330 PolarHBondContact O-N 2.94Å
329P34.1Very low27.2Very low109 Ų109145.4 Ų145.471%0.70877%0.769SS**THydrogen-bonded Turntrans-73.79.4-175.627.5-31.3000114.7
330N28.4Very low27.5Very low144 Ų144145.2 Ų145.277%0.7777%0.769SS**THydrogen-bonded Turntrans-10210179.4-76.3-26.5000115.1N328 L332N328-N330 PolarHBondContact O-N 2.94Å; N330-L332 VanDerWaalsContact C-N 3.32Å; N330-L332 PolarHBondContact O-N 3.38Å
331L27Very low27.6Very low153 Ų153147 Ų14780%0.80177%0.77SS**  trans-92.121.7174.1-133.684.2000114.5
332L26.6Very low27.8Very low162 Ų162147 Ų14785%0.84877%0.771SS**  trans-97.920.9177.3-95.7156.4000114.2N330N330-L332 VanDerWaalsContact C-N 3.32Å; N330-L332 PolarHBondContact O-N 3.38Å
333K24.9Very low28Very low208 Ų208147.4 Ų147.490%0.90477%0.766SS**  trans-11567.7164.4-74.9-174.8179.5177.30110.4
334S25.2Very low27.9Very low90 Ų90144.6 Ų144.663%0.62976%0.756SS**  trans-134.994.1168.9166.80000109.2
335S25.2Very low27.8Very low94 Ų94146.6 Ų146.666%0.65776%0.757SS**  trans18.1122.6153.5570000118.8N337S335-N337 PolarHBondContact O-N 2.99Å
336T31.7Very low27.8Very low147 Ų147145.3 Ų145.390%0.90275%0.751SS**SBendtrans-46.133.3174190000119.4
337N29Very low28.1Very low142 Ų142141.8 Ų141.876%0.75974%0.739SS**  trans-120.716.6177.8-79.3-18.7000115.3S335 L339S335-N337 PolarHBondContact O-N 2.99Å; N337-L339 PolarHBondContact O-N 3.02Å
338Q26.1Very low28.4Very low176 Ų176139.8 Ų139.882%0.82273%0.73SS**  trans-80.868.7156.6-66.5-165.11.500108.5Y340Q338-Y340 PolarHBondContact O-N 3.23Å
339L27Very low28.8Very low145 Ų145141.5 Ų141.576%0.75973%0.728SS**  trans-52.4105.9164-148.796000105.4N337 N341N337-L339 PolarHBondContact O-N 3.02Å; L339-N341 PolarHBondContact O-N 3.33Å
340Y29.2Very low29Very low204 Ų204143 Ų14380%0.873%0.731SS**  trans-46.3112.7167.1-78.9-98.5000106.4Q338 L342Q338-Y340 PolarHBondContact O-N 3.23Å; Y340-L342 PolarHBondContact O-N 2.76Å
341N24.4Very low29.7Very low145 Ų145141.7 Ų141.778%0.77572%0.72SS**  trans-67.569.8165.3-98.7-49.1000106.7L339 K343L339-N341 PolarHBondContact O-N 3.33Å; N341-K343 PolarHBondContact O-N 2.86Å
342L27.6Very low30.5Very low153 Ų153140.2 Ų140.280%0.80170%0.704SS**  trans-64.275.5152.6-92.2122.5000105.5Y340 Q344Y340-L342 PolarHBondContact O-N 2.76Å; L342-Q344 PolarHBondContact O-N 3.4Å
343K30Very low31.8Very low134 Ų134135.5 Ų135.558%0.58368%0.68SS**  trans-58.698.1158.6-89.7179.4177.1165.60105.7C239 N341 I345C239-K343 PolarHBondContact SG-NZ 3.27Å; N341-K343 PolarHBondContact O-N 2.86Å; K343-I345 PolarHBondContact O-N 2.87Å
344Q28.1Very low32.9Very low136 Ų136128.7 Ų128.764%0.63666%0.658SS**  trans0.484.2153.4-72.1169.8-9.200112.7L342 H346L342-Q344 PolarHBondContact O-N 3.4Å; Q344-H346 PolarHBondContact O-N 2.9Å
345I31.5Very low34.1Very low143 Ų143125.1 Ų125.173%0.73364%0.635SS**  trans-7191.5154.3-60.9177.1000103.6K343 S347K343-I345 PolarHBondContact O-N 2.87Å; I345-S347 PolarHBondContact O-N 2.72Å
346H29Very low35.7Very low142 Ų142126.1 Ų126.166%0.65763%0.629SS**  trans-74.845.2-173.4-112-34.2000112.4Q344Q344-H346 PolarHBondContact O-N 2.9Å
347S33.9Very low37.2Very low80 Ų80124.4 Ų124.456%0.55961%0.609SS**SBendtrans-133.8118.8172.160.30000109.6I345I345-S347 PolarHBondContact O-N 2.72Å
348N32.3Very low39Very low104 Ų104118.7 Ų118.756%0.55658%0.577SS**  trans93.922.7176.7-66-20.2000120.3N350 Q351 Y352N348-N350 PolarHBondContact O-N 3.14Å; N348-Q351 PolarHBondContact O-N 3.41Å; N348-Y352 WeakPolarHBondContact O-CD2 3.41Å
349Y34.5Very low40.8Very low160 Ų160114.7 Ų114.763%0.62756%0.555SS**THydrogen-bonded Turntrans-55.4-18.7163-102.6-85.4000114.6
350N37.6Very low43Very low142 Ų142114 Ų11476%0.75955%0.547SS*.THydrogen-bonded Turntrans-75.1-22.7176.8-75.6-20.4000113.7N348 N353N348-N350 PolarHBondContact O-N 3.14Å; N350-N353 WeakPolarHBondContact O-CB 3.47Å
351Q42.7Very low45.1Very low116 Ų116108.8 Ų108.854%0.54253%0.531SS..THydrogen-bonded Turntrans-81.9-37.5-178-142.4164.6800111.7N348 N353 S354N348-Q351 PolarHBondContact O-N 3.41Å; Q351-N353 PolarHBondContact O-N 2.89Å; Q351-S354 PolarHBondContact O-N 2.95Å; Q351-S354 PolarHBondContact O-OG 3.45Å
352Y44.4Very low47Very low122 Ų122102.2 Ų102.248%0.47850%0.496SS..Hα-helixtrans-53.7-23.6170-74.7-74.4000114E40 N348E40-Y352 WeakPolarHBondContact OE1-CE1 3.36Å; E40-Y352 PolarHBondContact OE1-OH 2.84Å; N348-Y352 WeakPolarHBondContact O-CD2 3.41Å
353N53.1Low48.8Very low62 Ų6299 Ų9933%0.33248%0.479SS..Hα-helixtrans-72.8-31.9-179.3-155.2-5.2000112N350 Q351 K357N350-N353 WeakPolarHBondContact O-CB 3.47Å; Q351-N353 PolarHBondContact O-N 2.89Å; N353-K357 HydrophobicContact CB-CD 4.44Å; N353-K357 WeakPolarHBondContact ND2-CE 3.49Å; N353-K357 PolarHBondContact ND2-NZ 3.41Å; N353-K357 WeakPolarHBondContact O-CB 3.46Å; N353-K357 VanDerWaalsContact O-CD 3.27Å; N353-K357 WeakPolarHBondContact O-CD 3.45Å; N353-K357 WeakPolarHBondContact O-CG 3.26Å; N353-K357 PolarHBondContact O-N 3.17Å; N353-K357 WeakPolarHBondContact OD1-CD 3.27Å; N353-K357 WeakPolarHBondContact OD1-CE 3.32Å; N353-K357 VanDerWaalsContact OD1-CG 3.3Å; N353-K357 WeakPolarHBondContact OD1-CG 3.41Å; N353-K357 PolarHBondContact OD1-NZ 3.24Å
354S48.9Very low50.7Low65 Ų6598.2 Ų98.246%0.45548%0.476SS..Hα-helixtrans-68.4-49-173.5630000112.9Q351 K357 F358Q351-S354 PolarHBondContact O-N 2.95Å; Q351-S354 PolarHBondContact O-OG 3.45Å; S354-K357 PolarHBondContact O-N 2.94Å; S354-F358 WeakPolarHBondContact O-CB 3.34Å; S354-F358 PolarHBondContact O-N 3.24Å
355A50.5Low52.3Low16 Ų1693.4 Ų93.413%0.13245%0.454CS..Hα-helixtrans-71.1-40.3179.400000112.8E44 K357 F358 R359E44-A355 HydrophobicContact CG-CB 4.46Å; E44-A355 VanDerWaalsContact OE1-CB 3.25Å; E44-A355 WeakPolarHBondContact OE1-CB 3.22Å; A355-K357 VanDerWaalsContact C-N 3.34Å; A355-F358 PolarHBondContact O-N 3.28Å; A355-R359 WeakPolarHBondContact O-CB 3.46Å; A355-R359 WeakPolarHBondContact O-CG 3.5Å; A355-R359 PolarHBondContact O-N 3.24Å
356Q58.9Low53.6Low114 Ų11491.5 Ų91.553%0.53344%0.438SS..Hα-helixtrans-63.9-41.5172.7-79.1-174.3-13.900111.1R359 Q360Q356-R359 PolarHBondContact O-N 3.41Å; Q356-Q360 WeakPolarHBondContact O-CB 3.48Å; Q356-Q360 VanDerWaalsContact O-CG 3.23Å; Q356-Q360 WeakPolarHBondContact O-CG 3.29Å; Q356-Q360 PolarHBondContact O-N 3.48Å
357K61.8Low55.3Low112 Ų11290.8 Ų90.849%0.48744%0.435SS..Hα-helixtrans-62.1-42.7171.9-79.5168.7165.9166.70111.8N353 S354 A355 Q360 M361N353-K357 HydrophobicContact CB-CD 4.44Å; N353-K357 WeakPolarHBondContact ND2-CE 3.49Å; N353-K357 PolarHBondContact ND2-NZ 3.41Å; N353-K357 WeakPolarHBondContact O-CB 3.46Å; N353-K357 VanDerWaalsContact O-CD 3.27Å; N353-K357 WeakPolarHBondContact O-CD 3.45Å; N353-K357 WeakPolarHBondContact O-CG 3.26Å; N353-K357 PolarHBondContact O-N 3.17Å; N353-K357 WeakPolarHBondContact OD1-CD 3.27Å; N353-K357 WeakPolarHBondContact OD1-CE 3.32Å; N353-K357 VanDerWaalsContact OD1-CG 3.3Å; N353-K357 WeakPolarHBondContact OD1-CG 3.41Å; N353-K357 PolarHBondContact OD1-NZ 3.24Å; S354-K357 PolarHBondContact O-N 2.94Å; A355-K357 VanDerWaalsContact C-N 3.34Å; K357-Q360 PolarHBondContact O-N 2.62Å; K357-M361 WeakPolarHBondContact O-CB 3.29Å; K357-M361 PolarHBondContact O-N 3.01Å
358F67.9Low56.8Low21 Ų2192 Ų929%0.09243%0.431CS..Hα-helixtrans-64.2-45.3177.2-175-104.5000110.9Q131 L134 L135 S354 A355 Q360 M361 I362Q131-F358 HydrophobicContact CG-CE1 4.45Å; L134-F358 HydrophobicContact CB-CZ 4.26Å; L134-F358 HydrophobicContact CD1-CE1 4.34Å; L134-F358 HydrophobicContact CD1-CZ 4.43Å; L135-F358 HydrophobicContact CD1-CE2 4.27Å; L135-F358 HydrophobicContact CD2-CE2 3.89Å; L135-F358 HydrophobicContact CG-CE2 3.87Å; S354-F358 WeakPolarHBondContact O-CB 3.34Å; S354-F358 PolarHBondContact O-N 3.24Å; A355-F358 PolarHBondContact O-N 3.28Å; F358-Q360 PolarHBondContact O-N 2.61Å; F358-M361 CarbonylContact O-C 3.48Å; F358-M361 WeakPolarHBondContact O-CB 3.45Å; F358-M361 PolarHBondContact O-N 2.91Å; F358-M361 VanDerWaalsContact O-N 3.14Å; F358-I362 HydrophobicContact CD1-CG1 4.01Å; F358-I362 HydrophobicContact CD2-CG1 4.45Å; F358-I362 HydrophobicContact CE1-CD1 4.16Å; F358-I362 HydrophobicContact CE1-CG1 3.61Å; F358-I362 HydrophobicContact CE2-CD1 3.89Å; F358-I362 HydrophobicContact CE2-CG1 4.08Å; F358-I362 HydrophobicContact CG-CG1 4.42Å; F358-I362 HydrophobicContact CZ-CD1 3.65Å; F358-I362 HydrophobicContact CZ-CG1 3.65Å; F358-I362 WeakPolarHBondContact O-CG1 3.35Å; F358-I362 PolarHBondContact O-N 3.41Å
359R64.5Low57.9Low93 Ų9389.4 Ų89.435%0.35142%0.418SS..Hα-helixtrans-57.5-48.5173.1-72.5172.1-170.1-160.61.7111.4S47 L51 A355 Q356 M361 I362 I363S47-R359 PolarHBondContact OG-NH2 2.92Å; S47-R359 VanDerWaalsContact OG-NH2 3.14Å; L51-R359 HydrophobicContact CD1-CG 4.02Å; A355-R359 WeakPolarHBondContact O-CB 3.46Å; A355-R359 WeakPolarHBondContact O-CG 3.5Å; A355-R359 PolarHBondContact O-N 3.24Å; Q356-R359 PolarHBondContact O-N 3.41Å; R359-M361 VanDerWaalsContact C-N 3.29Å; R359-M361 PolarHBondContact O-N 3.49Å; R359-I362 PolarHBondContact O-N 3.43Å; R359-I363 WeakPolarHBondContact O-CB 3.49Å; R359-I363 WeakPolarHBondContact O-CD1 3.35Å; R359-I363 WeakPolarHBondContact O-CG1 3.33Å; R359-I363 PolarHBondContact O-N 3.21Å
360Q71.6Confident58.4Low129 Ų12990.2 Ų90.260%0.60343%0.427SS*.Hα-helixtrans-61.4-39.2176.5-74.6174.95.400111.5Q356 K357 F358 K364Q356-Q360 WeakPolarHBondContact O-CB 3.48Å; Q356-Q360 VanDerWaalsContact O-CG 3.23Å; Q356-Q360 WeakPolarHBondContact O-CG 3.29Å; Q356-Q360 PolarHBondContact O-N 3.48Å; K357-Q360 PolarHBondContact O-N 2.62Å; F358-Q360 PolarHBondContact O-N 2.61Å; Q360-K364 WeakPolarHBondContact O-CB 3.47Å; Q360-K364 PolarHBondContact O-N 3.16Å
361M73.9Confident58.4Low95 Ų9590 Ų9047%0.46843%0.426SS..Hα-helixtrans-64.4-49.7176-178.6-169.7-7100111.4L135 K357 F358 R359 I363 K364 L365L135-M361 HydrophobicContact CD2-SD 4.42Å; K357-M361 WeakPolarHBondContact O-CB 3.29Å; K357-M361 PolarHBondContact O-N 3.01Å; F358-M361 CarbonylContact O-C 3.48Å; F358-M361 WeakPolarHBondContact O-CB 3.45Å; F358-M361 PolarHBondContact O-N 2.91Å; F358-M361 VanDerWaalsContact O-N 3.14Å; R359-M361 VanDerWaalsContact C-N 3.29Å; R359-M361 PolarHBondContact O-N 3.49Å; M361-I363 PolarHBondContact O-N 3.4Å; M361-K364 PolarHBondContact O-N 3.2Å; M361-L365 HydrophobicContact CG-CD1 4.06Å; M361-L365 WeakPolarHBondContact O-CB 3.43Å; M361-L365 WeakPolarHBondContact O-CG 3.35Å; M361-L365 PolarHBondContact O-N 3.31Å
362I63.4Low58.2Low7 Ų798 Ų984%0.03645%0.453CS..Hα-helixtrans-62.9-42.2177.7-64.5-48.2000111.1F138 F358 R359 K364 L365 R366F138-I362 HydrophobicContact CD2-CD1 3.7Å; F138-I362 HydrophobicContact CE2-CD1 3.37Å; F138-I362 HydrophobicContact CE2-CG1 4.39Å; F138-I362 HydrophobicContact CE2-CG2 4.43Å; F138-I362 HydrophobicContact CZ-CD1 4Å; F138-I362 HydrophobicContact CZ-CG2 4.07Å; F358-I362 HydrophobicContact CD1-CG1 4.01Å; F358-I362 HydrophobicContact CD2-CG1 4.45Å; F358-I362 HydrophobicContact CE1-CD1 4.16Å; F358-I362 HydrophobicContact CE1-CG1 3.61Å; F358-I362 HydrophobicContact CE2-CD1 3.89Å; F358-I362 HydrophobicContact CE2-CG1 4.08Å; F358-I362 HydrophobicContact CG-CG1 4.42Å; F358-I362 HydrophobicContact CZ-CD1 3.65Å; F358-I362 HydrophobicContact CZ-CG1 3.65Å; F358-I362 WeakPolarHBondContact O-CG1 3.35Å; F358-I362 PolarHBondContact O-N 3.41Å; R359-I362 PolarHBondContact O-N 3.43Å; I362-K364 VanDerWaalsContact C-N 3.34Å; I362-L365 HydrophobicContact CD1-CD1 4.3Å; I362-L365 PolarHBondContact O-N 3.5Å; I362-R366 WeakPolarHBondContact O-CB 3.25Å; I362-R366 WeakPolarHBondContact O-CG 3.43Å; I362-R366 PolarHBondContact O-N 2.75Å
363I66.4Low58.9Low87 Ų8796.8 Ų96.845%0.44645%0.452SS..Hα-helixtrans-62-44.4175.6-69.2165.3000110.3R359 M361 R366 Q367R359-I363 WeakPolarHBondContact O-CB 3.49Å; R359-I363 WeakPolarHBondContact O-CD1 3.35Å; R359-I363 WeakPolarHBondContact O-CG1 3.33Å; R359-I363 PolarHBondContact O-N 3.21Å; M361-I363 PolarHBondContact O-N 3.4Å; I363-R366 PolarHBondContact O-N 3.02Å; I363-Q367 VanDerWaalsContact O-CG 3.31Å; I363-Q367 WeakPolarHBondContact O-CG 3.43Å; I363-Q367 PolarHBondContact O-N 3.19Å
364K69.8Low59.2Low117 Ų11798.6 Ų98.651%0.50946%0.458SS..Hα-helixtrans-64.4-45.6178.4-166.3177-172.3-930111.6Q360 M361 I362 R366 Q367 E368Q360-K364 WeakPolarHBondContact O-CB 3.47Å; Q360-K364 PolarHBondContact O-N 3.16Å; M361-K364 PolarHBondContact O-N 3.2Å; I362-K364 VanDerWaalsContact C-N 3.34Å; K364-R366 VanDerWaalsContact C-N 3.3Å; K364-R366 PolarHBondContact O-N 3.35Å; K364-Q367 WeakPolarHBondContact O-CB 3.26Å; K364-Q367 PolarHBondContact O-N 3.37Å; K364-Q367 VanDerWaalsContact O-N 3.08Å; K364-E368 WeakPolarHBondContact CE-OE1 3.32Å; K364-E368 HydrophobicContact CG-CG 4.46Å; K364-E368 WeakPolarHBondContact CG-OE1 3.42Å; K364-E368 IonicContact NZ-OE1 2.66Å; K364-E368 PolarHBondContact NZ-OE1 3.42Å; K364-E368 WeakPolarHBondContact O-CB 3.36Å; K364-E368 WeakPolarHBondContact O-CG 3.25Å; K364-E368 PolarHBondContact O-N 2.94Å
365L61.5Low59.8Low35 Ų35100.4 Ų100.418%0.18346%0.458CS..Hα-helixtrans-58.6-41.1175.1-77.3168.6000111.9M361 I362 Q367 E368 N369M361-L365 HydrophobicContact CG-CD1 4.06Å; M361-L365 WeakPolarHBondContact O-CB 3.43Å; M361-L365 WeakPolarHBondContact O-CG 3.35Å; M361-L365 PolarHBondContact O-N 3.31Å; I362-L365 HydrophobicContact CD1-CD1 4.3Å; I362-L365 PolarHBondContact O-N 3.5Å; L365-Q367 VanDerWaalsContact C-N 3.35Å; L365-E368 PolarHBondContact O-N 3.04Å; L365-N369 WeakPolarHBondContact O-CB 3.49Å; L365-N369 PolarHBondContact O-N 3.4Å
366R58.4Low60.3Low103 Ų103105.4 Ų105.439%0.38948%0.478SS..Hα-helixtrans-68-33.2175.3-74.4-178.6-177.4176.92.5113.2L51 I362 I363 K364L51-R366 PolarHBondContact O-NH2 3.47Å; I362-R366 WeakPolarHBondContact O-CB 3.25Å; I362-R366 WeakPolarHBondContact O-CG 3.43Å; I362-R366 PolarHBondContact O-N 2.75Å; I363-R366 PolarHBondContact O-N 3.02Å; K364-R366 VanDerWaalsContact C-N 3.3Å; K364-R366 PolarHBondContact O-N 3.35Å
367Q65.3Low60.4Low126 Ų126104.9 Ų104.959%0.58947%0.474SS*.Hα-helixtrans-73.1-37.2175.8-74.2172.9-9.500111.8I363 K364 L365I363-Q367 VanDerWaalsContact O-CG 3.31Å; I363-Q367 WeakPolarHBondContact O-CG 3.43Å; I363-Q367 PolarHBondContact O-N 3.19Å; K364-Q367 WeakPolarHBondContact O-CB 3.26Å; K364-Q367 PolarHBondContact O-N 3.37Å; K364-Q367 VanDerWaalsContact O-N 3.08Å; L365-Q367 VanDerWaalsContact C-N 3.35Å
368E66.1Low60.3Low105 Ų105104.4 Ų104.449%0.49147%0.473SS..Hα-helixtrans-71.2-34.7178.4-72.9172.2176.900112.2K364 L365 E370K364-E368 WeakPolarHBondContact CE-OE1 3.32Å; K364-E368 HydrophobicContact CG-CG 4.46Å; K364-E368 WeakPolarHBondContact CG-OE1 3.42Å; K364-E368 IonicContact NZ-OE1 2.66Å; K364-E368 PolarHBondContact NZ-OE1 3.42Å; K364-E368 WeakPolarHBondContact O-CB 3.36Å; K364-E368 WeakPolarHBondContact O-CG 3.25Å; K364-E368 PolarHBondContact O-N 2.94Å; L365-E368 PolarHBondContact O-N 3.04Å; E368-E370 PolarHBondContact O-N 3.38Å; E368-E370 VanDerWaalsContact O-N 3.14Å
369N54Low59.8Low51 Ų51110.4 Ų110.427%0.27350%0.501SS..THydrogen-bonded Turntrans-83.923.6-177.8-74-0.4000114.8N142 L365 N371N142-N369 PolarHBondContact OD1-ND2 3.15Å; N142-N369 VanDerWaalsContact OD1-ND2 3.14Å; L365-N369 WeakPolarHBondContact O-CB 3.49Å; L365-N369 PolarHBondContact O-N 3.4Å; N369-N371 PolarHBondContact O-N 3.27Å
370E45.1Very low59.4Low176 Ų176111.7 Ų111.782%0.82251%0.512SS*.THydrogen-bonded Turntrans1870.2172.5-72.2-167.9162.800115.9E368E368-E370 PolarHBondContact O-N 3.38Å; E368-E370 VanDerWaalsContact O-N 3.14Å
371N38Very low58.4Low139 Ų139110.3 Ų110.374%0.74351%0.505SS*.  trans-128.985.3159.6-89.9-56.5000108.4N369N369-N371 PolarHBondContact O-N 3.27Å
372Y38.4Very low57Low282 Ų282111.6 Ų111.6100%1.10651%0.508SS*.  trans-121.40162.6-98.2-75.3000110.3

Retrieved 372 of 372 residues in 88.4 ms (Link to these results)

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