A0A3Q0KSJ1_SCHMA Loading...

Ubiquitin carboxyl-terminal hydrolase

Ubiquitin-protein hydrolase is involved both in the processing of ubiquitin precursors and of ubiquitinated proteins. This enzyme is a thiol protease that recognizes and hydrolyzes a peptide bond at the C-terminal glycine of ubiquitin.

AlphaFold DB , UniProt , Accession A0A3Q0KSJ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 206 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M80.2Confident78.7Confident44 Ų4459.8 Ų59.822%0.21731%0.308CS..  0-58.20-78.5172.933.900112.9K3 L4 V6 W11 F13 L74 I78 L201M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 3.42Å; M1-L4 WeakPolarHBondContact O-CB 3.45Å; M1-L4 PolarHBondContact O-N 3.13Å; M1-V6 HydrophobicContact CB-CB 4.32Å; M1-V6 HydrophobicContact CB-CG2 4.25Å; M1-V6 HydrophobicContact CE-CB 4.4Å; M1-V6 HydrophobicContact CE-CG1 3.98Å; M1-V6 HydrophobicContact CE-CG2 4.48Å; M1-W11 HydrophobicContact CE-CB 4.25Å; M1-W11 WeakPolarHBondContact CE-O 3.39Å; M1-F13 HydrophobicContact CG-CE2 4.26Å; M1-F13 HydrophobicContact SD-CD2 3.7Å; M1-F13 HydrophobicContact SD-CE2 3.42Å; M1-F13 WeakPolarHBondContact SD-CE2 3.24Å; M1-L74 HydrophobicContact CG-CD1 3.8Å; M1-L74 HydrophobicContact SD-CD1 4.37Å; M1-I78 HydrophobicContact CG-CD1 4.31Å; M1-L201 HydrophobicContact CE-CD1 3.96Å; M1-L201 HydrophobicContact SD-CD1 3.68Å; M1-L201 HydrophobicContact SD-CD2 4.44Å
2N80.7Confident79.8Confident94 Ų9461.8 Ų61.850%0.50331%0.312SS..G310 helixtrans-55.9-42.5-172.4-57.49.8000113.3L4 G5N2-L4 PolarHBondContact O-N 2.77Å; N2-L4 VanDerWaalsContact O-N 3.14Å; N2-G5 PolarHBondContact O-N 2.66Å
3K82.5Confident80.8Confident92 Ų9261.3 Ų61.340%0.431%0.307SS..G310 helixtrans-60.8-21.4176.7-65177-179.3163.80114.1M1 L121 E128M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 3.42Å; K3-L121 HydrophobicContact CB-CD1 4.46Å; K3-L121 HydrophobicContact CB-CD2 3.73Å; K3-L121 HydrophobicContact CD-CD2 3.99Å; K3-L121 HydrophobicContact CG-CD2 4.41Å; K3-E128 IonicContact NZ-OE1 2.73Å; K3-E128 PolarHBondContact NZ-OE1 2.8Å; K3-E128 IonicContact NZ-OE2 3.6Å; K3-E128 PolarHBondContact NZ-OE2 3.11Å
4L78.9Confident81.7Confident19 Ų1960.2 Ų60.210%0.09930%0.302CS..G310 helixtrans-84.6-21176.1-70166000112.4M1 N2 L74 I78 F92 L93 L121M1-L4 WeakPolarHBondContact O-CB 3.45Å; M1-L4 PolarHBondContact O-N 3.13Å; N2-L4 PolarHBondContact O-N 2.77Å; N2-L4 VanDerWaalsContact O-N 3.14Å; L4-L74 HydrophobicContact CD1-CD2 4.01Å; L4-I78 HydrophobicContact CD1-CD1 4.36Å; L4-F92 HydrophobicContact CD2-CD1 4.31Å; L4-F92 HydrophobicContact CD2-CE1 4.13Å; L4-L93 HydrophobicContact CB-CB 4.25Å; L4-L93 HydrophobicContact CB-CD2 4.15Å; L4-L93 WeakPolarHBondContact O-CB 3.44Å; L4-L93 PolarHBondContact O-N 2.95Å; L4-L121 HydrophobicContact CD2-CD1 3.52Å; L4-L121 HydrophobicContact CG-CD1 4.13Å
5G78.4Confident82.6Confident16 Ų1661.3 Ų61.317%0.16531%0.309CS..THydrogen-bonded Turntrans117.311.7-179.600000116N2 V7 K88N2-G5 PolarHBondContact O-N 2.66Å; G5-V7 PolarHBondContact O-N 3.22Å; G5-K88 PolarHBondContact O-N 3.14Å; G5-K88 VanDerWaalsContact O-N 3.15Å
6V79.7Confident83.4Confident5 Ų558.3 Ų58.33%0.0329%0.294CS..BIsolated β-bridgetrans-71.5120.6163.6-174.20000107.7M1 I78 L93M1-V6 HydrophobicContact CB-CB 4.32Å; M1-V6 HydrophobicContact CB-CG2 4.25Å; M1-V6 HydrophobicContact CE-CB 4.4Å; M1-V6 HydrophobicContact CE-CG1 3.98Å; M1-V6 HydrophobicContact CE-CG2 4.48Å; V6-I78 HydrophobicContact CG2-CD1 4.49Å; V6-L93 HydrophobicContact CG2-CD2 3.73Å
7V74Confident83.9Confident85 Ų8565.9 Ų65.952%0.51533%0.325SS..  trans-99.4-24.6-165.7-100.40000114.4G5 S86 K88G5-V7 PolarHBondContact O-N 3.22Å; V7-S86 WeakPolarHBondContact CG2-O 3.49Å; V7-S86 PolarHBondContact N-O 3.01Å; V7-K88 HydrophobicContact CG1-CB 3.84Å; V7-K88 HydrophobicContact CG1-CD 4.23Å; V7-K88 HydrophobicContact CG1-CG 4.5Å; V7-K88 HydrophobicContact CG2-CB 3.82Å
8E68.4Low84.5Confident90 Ų9063.9 Ų63.942%0.42132%0.319SS..  trans-88.6128.7175.6-81.4-179.9-153.400111.7S10 S86E8-S10 WeakPolarHBondContact CB-OG 3.45Å; E8-S10 PolarHBondContact O-N 3.01Å; E8-S10 PolarHBondContact OE2-OG 3.32Å; E8-S86 WeakPolarHBondContact OE1-CB 3.22Å; E8-S86 PolarHBondContact OE1-OG 3.32Å
9E69.8Low85.1Confident162 Ų16261.9 Ų61.976%0.75731%0.309SS*.THydrogen-bonded Turntrans-74.3-2.5170.3-61.8-171.8166.900112.8W11E9-W11 PolarHBondContact O-N 3.22Å
10S82.2Confident85.6Confident27 Ų2763.6 Ų63.619%0.18932%0.319CS..THydrogen-bonded Turntrans-59.9-33.2177.657.80000111.6E8 S203 D204E8-S10 WeakPolarHBondContact CB-OG 3.45Å; E8-S10 PolarHBondContact O-N 3.01Å; E8-S10 PolarHBondContact OE2-OG 3.32Å; S10-S203 CarbonylContact O-C 3.45Å; S10-S203 WeakPolarHBondContact O-CA 3.39Å; S10-D204 PolarHBondContact O-N 3.09Å
11W91.1Very high85.9Confident24 Ų2465 Ų659%0.09133%0.328CS..EExtended strand (participates in β ladder)trans-104.5124.3-179.5-65.393.7000112.6M1 E9 P30 I32 K84 L85 L201 C202 S203M1-W11 HydrophobicContact CE-CB 4.25Å; M1-W11 WeakPolarHBondContact CE-O 3.39Å; E9-W11 PolarHBondContact O-N 3.22Å; W11-P30 HydrophobicContact CH2-CB 4.47Å; W11-P30 HydrophobicContact CH2-CG 3.73Å; W11-P30 HydrophobicContact CZ3-CG 4.35Å; W11-P30 WeakPolarHBondContact CZ3-O 3.48Å; W11-I32 HydrophobicContact CD2-CD1 3.95Å; W11-I32 HydrophobicContact CE3-CD1 3.53Å; W11-I32 HydrophobicContact CE3-CG1 3.85Å; W11-I32 HydrophobicContact CH2-CB 4.32Å; W11-I32 HydrophobicContact CH2-CD1 3.82Å; W11-I32 HydrophobicContact CH2-CG1 4.09Å; W11-I32 HydrophobicContact CH2-CG2 3.35Å; W11-I32 HydrophobicContact CZ2-CD1 4.21Å; W11-I32 HydrophobicContact CZ2-CG2 4.37Å; W11-I32 HydrophobicContact CZ3-CB 4.08Å; W11-I32 HydrophobicContact CZ3-CD1 3.48Å; W11-I32 VanDerWaalsContact CZ3-CD1 3.48Å; W11-I32 HydrophobicContact CZ3-CG1 3.49Å; W11-I32 VanDerWaalsContact CZ3-CG1 3.49Å; W11-I32 HydrophobicContact CZ3-CG2 3.5Å; W11-K84 HydrophobicContact CZ2-CB 4.25Å; W11-K84 PolarHBondContact NE1-O 3.37Å; W11-L85 HydrophobicContact CB-CD2 3.83Å; W11-L85 HydrophobicContact CD2-CD2 4.11Å; W11-L85 HydrophobicContact CG-CD2 3.6Å; W11-L201 HydrophobicContact CB-CD1 4.11Å; W11-L201 HydrophobicContact CE3-CG 4.28Å; W11-C202 WeakPolarHBondContact CA-O 3.35Å; W11-S203 VanDerWaalsContact CE3-N 3.35Å
12K91.7Very high86.5Confident83 Ų8367.8 Ų67.836%0.36134%0.344SS..EExtended strand (participates in β ladder)trans-139.4150.5178.865.5-169.1-173.3-174.70112.2I14 C202 D204K12-I14 HydrophobicContact CD-CG1 4.5Å; K12-I14 HydrophobicContact CG-CD1 4.15Å; K12-I14 HydrophobicContact CG-CG1 3.94Å; K12-C202 PolarHBondContact N-O 3.39Å; K12-C202 PolarHBondContact O-N 3.25Å; K12-D204 HydrophobicContact CD-CB 4.28Å; K12-D204 WeakPolarHBondContact CE-OD2 3.12Å; K12-D204 VanDerWaalsContact NZ-CG 3.26Å; K12-D204 IonicContact NZ-OD1 2.71Å; K12-D204 IonicContact NZ-OD2 3.83Å; K12-D204 PolarHBondContact NZ-OD2 2.94Å
13F93.2Very high87.1Confident56 Ų5668.1 Ų68.125%0.24634%0.343CS..EExtended strand (participates in β ladder)trans-78.3133.4168.3-79.7-76.2000109.8M1 L35 L74 A77 M199 G200 L201M1-F13 HydrophobicContact CG-CE2 4.26Å; M1-F13 HydrophobicContact SD-CD2 3.7Å; M1-F13 HydrophobicContact SD-CE2 3.42Å; M1-F13 WeakPolarHBondContact SD-CE2 3.24Å; F13-L35 HydrophobicContact CD1-CD1 3.71Å; F13-L35 HydrophobicContact CD1-CG 4.43Å; F13-L35 HydrophobicContact CD2-CD1 4.48Å; F13-L35 HydrophobicContact CE1-CD1 3.21Å; F13-L35 HydrophobicContact CE1-CG 3.67Å; F13-L35 HydrophobicContact CE2-CD1 4.06Å; F13-L35 HydrophobicContact CG-CD1 4.32Å; F13-L35 HydrophobicContact CZ-CD1 3.41Å; F13-L35 VanDerWaalsContact CZ-CD1 3.41Å; F13-L35 HydrophobicContact CZ-CG 4.04Å; F13-L74 HydrophobicContact CD2-CD1 4.42Å; F13-L74 HydrophobicContact CE2-CD1 3.46Å; F13-L74 VanDerWaalsContact CE2-CD1 3.46Å; F13-L74 HydrophobicContact CZ-CD1 4.04Å; F13-A77 HydrophobicContact CZ-CB 4.15Å; F13-M199 HydrophobicContact CD1-CB 4.05Å; F13-G200 CarbonylContact C-O 3.56Å; F13-G200 VanDerWaalsContact CA-O 3.26Å; F13-G200 WeakPolarHBondContact CA-O 3.26Å; F13-L201 HydrophobicContact CD1-CB 4.06Å; F13-L201 HydrophobicContact CD2-CD1 4.04Å; F13-L201 HydrophobicContact CE1-CB 3.6Å; F13-L201 HydrophobicContact CE1-CD1 4.43Å; F13-L201 HydrophobicContact CE1-CG 4.45Å; F13-L201 HydrophobicContact CE2-CB 4.49Å; F13-L201 HydrophobicContact CE2-CD1 3.94Å; F13-L201 HydrophobicContact CE2-CD2 4.42Å; F13-L201 HydrophobicContact CG-CD1 4.34Å; F13-L201 HydrophobicContact CZ-CB 3.84Å; F13-L201 HydrophobicContact CZ-CD1 4.14Å; F13-L201 HydrophobicContact CZ-CD2 4.11Å; F13-L201 HydrophobicContact CZ-CG 4.26Å
14I93.4Very high87.7Confident46 Ų4663.9 Ų63.924%0.23633%0.325CS..EExtended strand (participates in β ladder)trans-128.4138.8176.9-53.6177.2000107.8K12 P28 M199 G200 C202K12-I14 HydrophobicContact CD-CG1 4.5Å; K12-I14 HydrophobicContact CG-CD1 4.15Å; K12-I14 HydrophobicContact CG-CG1 3.94Å; I14-P28 HydrophobicContact CD1-CB 4.34Å; I14-P28 HydrophobicContact CD1-CG 3.65Å; I14-M199 CarbonylContact O-C 3.52Å; I14-M199 VanDerWaalsContact O-CA 3.27Å; I14-M199 WeakPolarHBondContact O-CA 3.39Å; I14-G200 PolarHBondContact N-O 2.8Å; I14-G200 PolarHBondContact O-N 3.3Å; I14-C202 HydrophobicContact CD1-CB 3.94Å; I14-C202 HydrophobicContact CG1-CB 4.48Å
15D94.8Very high88.4Confident77 Ų7766.1 Ų66.141%0.41235%0.347SS..EExtended strand (participates in β ladder)trans-65.3138.4173.7-67.5-48.9000111.3F17 M199D15-F17 HydrophobicContact CB-CD1 4.38Å; D15-F17 HydrophobicContact CB-CE1 3.73Å; D15-F17 HydrophobicContact CB-CE2 4.08Å; D15-F17 HydrophobicContact CB-CZ 3.56Å; D15-M199 WeakPolarHBondContact OD1-CG 3.44Å
16I96.1Very high89Confident13 Ų1373.5 Ų73.57%0.06737%0.374CS..  trans-108.8104.2173.5-61.8171.8000107.3S18 L24 V27 L34 L176 L198I16-S18 WeakPolarHBondContact CG2-O 3.31Å; I16-L24 HydrophobicContact CG2-CD2 3.69Å; I16-V27 HydrophobicContact CG1-CG2 4.12Å; I16-L34 HydrophobicContact CD1-CD2 3.5Å; I16-L34 VanDerWaalsContact CD1-CD2 3.5Å; I16-L176 HydrophobicContact CD1-CD1 3.76Å; I16-L198 HydrophobicContact CB-CB 4.23Å; I16-L198 HydrophobicContact CB-CD2 3.99Å; I16-L198 HydrophobicContact CB-CG 4.11Å; I16-L198 HydrophobicContact CD1-CD2 4.06Å; I16-L198 HydrophobicContact CD1-CG 4.12Å; I16-L198 HydrophobicContact CG2-CD2 3.88Å; I16-L198 PolarHBondContact N-O 3.4Å
17F92.3Very high89.7Confident187 Ų18774 Ų7482%0.8238%0.378SS*.  trans-81.6-21.6-170.9-60.4-70000114.6D15D15-F17 HydrophobicContact CB-CD1 4.38Å; D15-F17 HydrophobicContact CB-CE1 3.73Å; D15-F17 HydrophobicContact CB-CE2 4.08Å; D15-F17 HydrophobicContact CB-CZ 3.56Å
18S94.4Very high90.6Very high30 Ų3071.9 Ų71.921%0.2137%0.366CS..  trans-146.2153.7177.9172.50000110.6I16 D20 L24I16-S18 WeakPolarHBondContact CG2-O 3.31Å; S18-D20 WeakPolarHBondContact OG-CB 3.06Å; S18-D20 PolarHBondContact OG-N 3.38Å; S18-D20 PolarHBondContact OG-OD2 3.1Å; S18-L24 WeakPolarHBondContact O-CD2 3.35Å
19L95.8Very high91.7Very high26 Ų2673.4 Ų73.414%0.13637%0.372CS..  trans-99.14.3175.8-48.9178.3000112.1C180 V183 K184 I187 L198L19-C180 HydrophobicContact CD2-CB 4.16Å; L19-V183 HydrophobicContact CD1-CB 4.36Å; L19-V183 HydrophobicContact CD1-CG1 3.79Å; L19-V183 HydrophobicContact CD2-CG1 4.29Å; L19-K184 HydrophobicContact CB-CD 4.46Å; L19-K184 VanDerWaalsContact CB-CE 3.41Å; L19-K184 HydrophobicContact CB-CG 4.18Å; L19-K184 HydrophobicContact CD1-CG 3.68Å; L19-K184 WeakPolarHBondContact O-CE 3.31Å; L19-K184 PolarHBondContact O-NZ 3.38Å; L19-I187 HydrophobicContact CD1-CD1 3.55Å; L19-L198 HydrophobicContact CD2-CD2 3.5Å; L19-L198 VanDerWaalsContact CD2-CD2 3.5Å
20D94.6Very high92.9Very high95 Ų9568.5 Ų68.551%0.50836%0.355SS..SBendtrans-75141.4176-59.3-37.7000110.3S18 D22 M23 L24S18-D20 WeakPolarHBondContact OG-CB 3.06Å; S18-D20 PolarHBondContact OG-N 3.38Å; S18-D20 PolarHBondContact OG-OD2 3.1Å; D20-D22 WeakPolarHBondContact CB-OD1 3.37Å; D20-D22 PolarHBondContact O-N 3.05Å; D20-M23 PolarHBondContact O-N 2.93Å; D20-M23 VanDerWaalsContact O-N 3.09Å; D20-L24 WeakPolarHBondContact O-CG 3.02Å; D20-L24 PolarHBondContact O-N 2.96Å
21D91.7Very high93.6Very high94 Ų9467.9 Ų67.950%0.50335%0.35SS..Hα-helixtrans-62.7-30.8-169.8-72.6-32.2000113.5A25D21-A25 PolarHBondContact O-N 3.36Å
22D93Very high93.8Very high103 Ų10367 Ų6755%0.55135%0.347SS*.Hα-helixtrans-69.8-38.7176.562.3-30.8000111.9D20 A25 F26D20-D22 WeakPolarHBondContact CB-OD1 3.37Å; D20-D22 PolarHBondContact O-N 3.05Å; D22-A25 WeakPolarHBondContact O-CB 3.36Å; D22-F26 VanDerWaalsContact O-CD2 3.28Å; D22-F26 WeakPolarHBondContact O-CD2 3.37Å; D22-F26 WeakPolarHBondContact O-CE2 3.38Å
23M93.7Very high94.1Very high100 Ų10063 Ų6349%0.49333%0.33SS..Hα-helixtrans-74.8-38.2175.8-70.3-66-172.300112.3D20 A25 F26D20-M23 PolarHBondContact O-N 2.93Å; D20-M23 VanDerWaalsContact O-N 3.09Å; M23-A25 PolarHBondContact O-N 2.87Å; M23-F26 PolarHBondContact O-N 3.45Å; M23-F26 VanDerWaalsContact O-N 3.11Å
24L95.2Very high94.4Very high3 Ų360.4 Ų60.42%0.01632%0.318CS..Hα-helixtrans-61.8-26.2175.8-69.8178.9000112.3I16 S18 D20 F26 V27 L176 R177 C180I16-L24 HydrophobicContact CG2-CD2 3.69Å; S18-L24 WeakPolarHBondContact O-CD2 3.35Å; D20-L24 WeakPolarHBondContact O-CG 3.02Å; D20-L24 PolarHBondContact O-N 2.96Å; L24-F26 PolarHBondContact O-N 2.97Å; L24-V27 HydrophobicContact CD2-CG2 4.5Å; L24-V27 WeakPolarHBondContact O-CB 3.11Å; L24-V27 PolarHBondContact O-N 3.25Å; L24-V27 VanDerWaalsContact O-N 3.13Å; L24-L176 HydrophobicContact CB-CD2 4.37Å; L24-L176 HydrophobicContact CD2-CD1 4.26Å; L24-L176 HydrophobicContact CD2-CD2 4.32Å; L24-L176 HydrophobicContact CD2-CG 4.29Å; L24-R177 HydrophobicContact CD1-CG 4.46Å; L24-C180 HydrophobicContact CD1-CB 3.99Å
25A92.5Very high94.6Very high67 Ų6758.7 Ų58.755%0.55431%0.31SS*.THydrogen-bonded Turntrans-66.1-15.8176.500000114.1D21 D22 M23D21-A25 PolarHBondContact O-N 3.36Å; D22-A25 WeakPolarHBondContact O-CB 3.36Å; M23-A25 PolarHBondContact O-N 2.87Å
26F92.2Very high94.8Very high170 Ų17055.1 Ų55.175%0.74629%0.29SS*.THydrogen-bonded Turntrans-88.4-9.9174.9-65.7-83.2000113.4D22 M23 L24 P28D22-F26 VanDerWaalsContact O-CD2 3.28Å; D22-F26 WeakPolarHBondContact O-CD2 3.37Å; D22-F26 WeakPolarHBondContact O-CE2 3.38Å; M23-F26 PolarHBondContact O-N 3.45Å; M23-F26 VanDerWaalsContact O-N 3.11Å; L24-F26 PolarHBondContact O-N 2.97Å; F26-P28 WeakPolarHBondContact O-CD 3.05Å
27V94.2Very high94.8Very high17 Ų1755.9 Ų55.910%0.10329%0.294CS..SBendtrans-73124.9177.3-178.50000108.4I16 L24 E29 V31 L176I16-V27 HydrophobicContact CG1-CG2 4.12Å; L24-V27 HydrophobicContact CD2-CG2 4.5Å; L24-V27 WeakPolarHBondContact O-CB 3.11Å; L24-V27 PolarHBondContact O-N 3.25Å; L24-V27 VanDerWaalsContact O-N 3.13Å; V27-E29 PolarHBondContact O-N 2.89Å; V27-V31 HydrophobicContact CG1-CG2 3.78Å; V27-L176 HydrophobicContact CB-CD2 3.87Å; V27-L176 HydrophobicContact CG1-CD2 4.06Å; V27-L176 HydrophobicContact CG2-CD2 4.29Å
28P93Very high94.9Very high40 Ų4047.1 Ų47.126%0.2626%0.256SS..  trans-57.6132.7176.5-26.736.1000111.7I14 F26 V31 C202I14-P28 HydrophobicContact CD1-CB 4.34Å; I14-P28 HydrophobicContact CD1-CG 3.65Å; F26-P28 WeakPolarHBondContact O-CD 3.05Å; P28-V31 WeakPolarHBondContact O-CG2 3.41Å; P28-C202 HydrophobicContact CB-CB 4.23Å; P28-C202 WeakPolarHBondContact O-CB 3.39Å
29E92.2Very high94.8Very high121 Ų12145.7 Ų45.757%0.56525%0.246SC*.SBendtrans-106.9150.7176.3-74.7-163-154.200111.2V27V27-E29 PolarHBondContact O-N 2.89Å
30P94Very high94.5Very high60 Ų6046.7 Ų46.739%0.3925%0.251SS..  cis-75.7148.80.729.5-37.7000114.3W11 C202 S203W11-P30 HydrophobicContact CH2-CB 4.47Å; W11-P30 HydrophobicContact CH2-CG 3.73Å; W11-P30 HydrophobicContact CZ3-CG 4.35Å; W11-P30 WeakPolarHBondContact CZ3-O 3.48Å; P30-C202 WeakPolarHBondContact O-CA 3.35Å; P30-S203 PolarHBondContact O-N 3.12Å; P30-S203 VanDerWaalsContact O-N 3.1Å
31V96.4Very high94Very high14 Ų1446 Ų469%0.08525%0.245CC..EExtended strand (participates in β ladder)trans-102.8130.4166.5-171.90000109.2V27 P28 L34 F175 L176 L201V27-V31 HydrophobicContact CG1-CG2 3.78Å; P28-V31 WeakPolarHBondContact O-CG2 3.41Å; V31-L34 HydrophobicContact CG1-CD2 3.78Å; V31-F175 HydrophobicContact CB-CD1 4.39Å; V31-F175 HydrophobicContact CG1-CD1 4.32Å; V31-F175 HydrophobicContact CG1-CE1 4.13Å; V31-F175 VanDerWaalsContact O-CD1 3.28Å; V31-F175 WeakPolarHBondContact O-CD1 3.45Å; V31-L176 HydrophobicContact CB-CB 4.38Å; V31-L176 HydrophobicContact CG1-CD1 4.48Å; V31-L176 HydrophobicContact CG2-CB 4.35Å; V31-L176 HydrophobicContact CG2-CD1 4.37Å; V31-L176 HydrophobicContact CG2-CD2 4.11Å; V31-L201 WeakPolarHBondContact CA-O 3.45Å
32I96.5Very high93.4Very high5 Ų545.9 Ų45.93%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-117.4-13.1-17260170.1000114.6W11 N81 K84 L85 L201W11-I32 HydrophobicContact CD2-CD1 3.95Å; W11-I32 HydrophobicContact CE3-CD1 3.53Å; W11-I32 HydrophobicContact CE3-CG1 3.85Å; W11-I32 HydrophobicContact CH2-CB 4.32Å; W11-I32 HydrophobicContact CH2-CD1 3.82Å; W11-I32 HydrophobicContact CH2-CG1 4.09Å; W11-I32 HydrophobicContact CH2-CG2 3.35Å; W11-I32 HydrophobicContact CZ2-CD1 4.21Å; W11-I32 HydrophobicContact CZ2-CG2 4.37Å; W11-I32 HydrophobicContact CZ3-CB 4.08Å; W11-I32 HydrophobicContact CZ3-CD1 3.48Å; W11-I32 VanDerWaalsContact CZ3-CD1 3.48Å; W11-I32 HydrophobicContact CZ3-CG1 3.49Å; W11-I32 VanDerWaalsContact CZ3-CG1 3.49Å; W11-I32 HydrophobicContact CZ3-CG2 3.5Å; I32-N81 HydrophobicContact CD1-CB 3.87Å; I32-N81 PolarHBondContact O-ND2 3.19Å; I32-N81 PolarHBondContact O-OD1 2.79Å; I32-K84 HydrophobicContact CB-CD 4.2Å; I32-K84 HydrophobicContact CD1-CB 4.37Å; I32-K84 HydrophobicContact CD1-CD 4.46Å; I32-K84 HydrophobicContact CG2-CD 3.57Å; I32-L85 HydrophobicContact CD1-CD2 4.04Å; I32-L85 HydrophobicContact CD1-CG 4.42Å; I32-L201 HydrophobicContact CD1-CD2 3.76Å; I32-L201 HydrophobicContact CD1-CG 3.99Å; I32-L201 HydrophobicContact CG1-CB 4.05Å; I32-L201 HydrophobicContact CG1-CD2 3.92Å; I32-L201 HydrophobicContact CG1-CG 3.84Å; I32-L201 WeakPolarHBondContact CG1-O 3.4Å; I32-L201 PolarHBondContact N-O 3.18Å
33S98.1Very high93Very high0 Ų044 Ų440%024%0.241CC..EExtended strand (participates in β ladder)trans-158152.2171.363.90000110.4A77 F147 L201S33-A77 WeakPolarHBondContact OG-CB 3.19Å; S33-F147 CarbonylContact C-O 3.57Å; S33-F147 WeakPolarHBondContact CA-O 3.22Å; S33-F147 WeakPolarHBondContact CB-O 3.18Å; S33-L201 PolarHBondContact O-N 3.15Å; S33-L201 WeakPolarHBondContact OG-CB 3.43Å
34L98.5Very high92.5Very high0 Ų039.8 Ų39.80%022%0.22CC..EExtended strand (participates in β ladder)trans-115.4138.2167.7-59.8-173.8000110.3I16 V31 C146 F147 F175 L176 A179 L198 M199I16-L34 HydrophobicContact CD1-CD2 3.5Å; I16-L34 VanDerWaalsContact CD1-CD2 3.5Å; V31-L34 HydrophobicContact CG1-CD2 3.78Å; L34-C146 CarbonylContact O-C 3.55Å; L34-C146 VanDerWaalsContact O-CA 3.3Å; L34-C146 WeakPolarHBondContact O-CA 3.37Å; L34-F147 HydrophobicContact CB-CB 4.23Å; L34-F147 HydrophobicContact CB-CD2 4.29Å; L34-F147 PolarHBondContact N-O 2.79Å; L34-F147 PolarHBondContact O-N 2.97Å; L34-F175 HydrophobicContact CG-CE1 4.04Å; L34-F175 HydrophobicContact CG-CZ 4.24Å; L34-L176 HydrophobicContact CD1-CD1 4.37Å; L34-L176 HydrophobicContact CD2-CD1 3.99Å; L34-A179 HydrophobicContact CD1-CB 3.48Å; L34-A179 VanDerWaalsContact CD1-CB 3.48Å; L34-A179 HydrophobicContact CG-CB 4.19Å; L34-L198 HydrophobicContact CB-CD1 4.04Å; L34-L198 HydrophobicContact CD1-CD1 4.15Å; L34-L198 HydrophobicContact CD1-CD2 4.26Å; L34-M199 CarbonylContact C-O 3.53Å; L34-M199 VanDerWaalsContact CA-O 3.31Å; L34-M199 WeakPolarHBondContact CA-O 3.2Å
35L98.5Very high91.7Very high11 Ų1144.8 Ų44.86%0.05824%0.243CC..EExtended strand (participates in β ladder)trans-103.2118166.6-68.8166.6000107.9F13 A73 F144 V145 C146 L198 M199F13-L35 HydrophobicContact CD1-CD1 3.71Å; F13-L35 HydrophobicContact CD1-CG 4.43Å; F13-L35 HydrophobicContact CD2-CD1 4.48Å; F13-L35 HydrophobicContact CE1-CD1 3.21Å; F13-L35 HydrophobicContact CE1-CG 3.67Å; F13-L35 HydrophobicContact CE2-CD1 4.06Å; F13-L35 HydrophobicContact CG-CD1 4.32Å; F13-L35 HydrophobicContact CZ-CD1 3.41Å; F13-L35 VanDerWaalsContact CZ-CD1 3.41Å; F13-L35 HydrophobicContact CZ-CG 4.04Å; L35-A73 VanDerWaalsContact CD2-C 3.45Å; L35-A73 HydrophobicContact CD2-CB 3.35Å; L35-F144 HydrophobicContact CB-CD1 4.44Å; L35-V145 WeakPolarHBondContact CA-O 3.44Å; L35-C146 HydrophobicContact CD2-CB 4.4Å; L35-L198 WeakPolarHBondContact O-CA 3.29Å; L35-M199 HydrophobicContact CB-CB 4.39Å; L35-M199 HydrophobicContact CB-CE 4.24Å; L35-M199 HydrophobicContact CD1-CE 4.22Å; L35-M199 PolarHBondContact N-O 2.85Å; L35-M199 PolarHBondContact O-N 2.89Å
36F98Very high91.1Very high1 Ų147.1 Ų47.10%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-115.5122.8-179177.7-132.3000110.3Y38 F144 V145 F147 V183 F186 F196 S197 L198F36-Y38 AromaticContact CD1-CD1 3.53Å; F36-Y38 HydrophobicContact CD1-CD1 3.53Å; F36-Y38 HydrophobicContact CD1-CE1 4.18Å; F36-Y38 HydrophobicContact CD1-CG 4.3Å; F36-Y38 AromaticContact CE1-CD1 3.47Å; F36-Y38 HydrophobicContact CE1-CD1 3.47Å; F36-Y38 VanDerWaalsContact CE1-CD1 3.47Å; F36-Y38 HydrophobicContact CE1-CE1 4.31Å; F36-Y38 AromaticContact CE1-CG 3.78Å; F36-Y38 HydrophobicContact CE1-CG 3.78Å; F36-Y38 HydrophobicContact CG-CD1 4.34Å; F36-Y38 HydrophobicContact CZ-CD1 4.23Å; F36-Y38 HydrophobicContact CZ-CG 4.21Å; F36-F144 CarbonylContact O-C 3.58Å; F36-F144 VanDerWaalsContact O-CA 3.31Å; F36-F144 WeakPolarHBondContact O-CA 3.17Å; F36-V145 HydrophobicContact CB-CG2 4.03Å; F36-V145 HydrophobicContact CD1-CG2 4.1Å; F36-V145 PolarHBondContact N-O 3.21Å; F36-V145 PolarHBondContact O-N 3.31Å; F36-F147 HydrophobicContact CB-CD2 4.32Å; F36-F147 HydrophobicContact CB-CE2 3.81Å; F36-F147 HydrophobicContact CD1-CE2 4.13Å; F36-F147 HydrophobicContact CG-CE2 4.34Å; F36-V183 HydrophobicContact CB-CG2 4.45Å; F36-V183 HydrophobicContact CD1-CG2 4.25Å; F36-V183 HydrophobicContact CD2-CG1 3.91Å; F36-V183 HydrophobicContact CD2-CG2 4.35Å; F36-V183 HydrophobicContact CE1-CG1 4.26Å; F36-V183 HydrophobicContact CE2-CG1 3.6Å; F36-V183 HydrophobicContact CG-CG1 4.38Å; F36-V183 HydrophobicContact CG-CG2 4.1Å; F36-V183 HydrophobicContact CZ-CG1 3.78Å; F36-F186 HydrophobicContact CE1-CB 3.64Å; F36-F186 AromaticContact CE1-CD1 3.92Å; F36-F186 HydrophobicContact CE1-CD1 3.92Å; F36-F186 HydrophobicContact CE1-CD2 4.47Å; F36-F186 AromaticContact CE1-CG 3.78Å; F36-F186 HydrophobicContact CE1-CG 3.78Å; F36-F186 HydrophobicContact CZ-CB 4.08Å; F36-F196 HydrophobicContact CE2-CB 4.19Å; F36-F196 AromaticContact CE2-CD1 3.81Å; F36-F196 HydrophobicContact CE2-CD1 3.81Å; F36-F196 HydrophobicContact CE2-CG 4.39Å; F36-F196 AromaticContact CZ-CD1 3.65Å; F36-F196 HydrophobicContact CZ-CD1 3.65Å; F36-F196 HydrophobicContact CZ-CE1 4.16Å; F36-S197 WeakPolarHBondContact CD2-O 3.04Å; F36-L198 HydrophobicContact CB-CD1 3.77Å; F36-L198 HydrophobicContact CD2-CD1 4.04Å; F36-L198 HydrophobicContact CG-CD1 4.25Å
37L96.1Very high90.7Very high29 Ų2940.9 Ų40.915%0.15223%0.226CC..EExtended strand (participates in β ladder)trans-100.4131.3171.9-171.173.2000109.5L142 H143 F144 F196 S197L37-L142 HydrophobicContact CD1-CB 3.91Å; L37-L142 HydrophobicContact CD2-CB 4.36Å; L37-L142 HydrophobicContact CD2-CD1 4.09Å; L37-L142 HydrophobicContact CG-CB 4.16Å; L37-H143 WeakPolarHBondContact CA-O 3.33Å; L37-F144 HydrophobicContact CB-CD1 3.87Å; L37-F144 HydrophobicContact CB-CE1 3.59Å; L37-F144 HydrophobicContact CB-CG 4.46Å; L37-F144 HydrophobicContact CB-CZ 3.96Å; L37-F144 HydrophobicContact CD1-CD1 3.99Å; L37-F144 HydrophobicContact CD1-CD2 3.47Å; L37-F144 VanDerWaalsContact CD1-CD2 3.47Å; L37-F144 HydrophobicContact CD1-CE1 4.03Å; L37-F144 HydrophobicContact CD1-CE2 3.51Å; L37-F144 HydrophobicContact CD1-CG 3.73Å; L37-F144 HydrophobicContact CD1-CZ 3.78Å; L37-F144 HydrophobicContact CD2-CE2 4.45Å; L37-F144 HydrophobicContact CD2-CZ 4.16Å; L37-F144 HydrophobicContact CG-CE1 4.29Å; L37-F144 HydrophobicContact CG-CE2 4.39Å; L37-F144 HydrophobicContact CG-CZ 4.19Å; L37-F196 WeakPolarHBondContact O-CA 3.38Å; L37-S197 PolarHBondContact N-O 3.44Å; L37-S197 PolarHBondContact O-N 3.29Å; L37-S197 VanDerWaalsContact O-N 3.1Å
38Y94.5Very high90.2Very high4 Ų444.9 Ų44.92%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-151160.6176.566.1-85.3000111.3F36 L40 I44 L142 H143 V145 F186F36-Y38 AromaticContact CD1-CD1 3.53Å; F36-Y38 HydrophobicContact CD1-CD1 3.53Å; F36-Y38 HydrophobicContact CD1-CE1 4.18Å; F36-Y38 HydrophobicContact CD1-CG 4.3Å; F36-Y38 AromaticContact CE1-CD1 3.47Å; F36-Y38 HydrophobicContact CE1-CD1 3.47Å; F36-Y38 VanDerWaalsContact CE1-CD1 3.47Å; F36-Y38 HydrophobicContact CE1-CE1 4.31Å; F36-Y38 AromaticContact CE1-CG 3.78Å; F36-Y38 HydrophobicContact CE1-CG 3.78Å; F36-Y38 HydrophobicContact CG-CD1 4.34Å; F36-Y38 HydrophobicContact CZ-CD1 4.23Å; F36-Y38 HydrophobicContact CZ-CG 4.21Å; Y38-L40 HydrophobicContact CE2-CD2 3.79Å; Y38-I44 HydrophobicContact CD2-CD1 3.42Å; Y38-I44 VanDerWaalsContact CD2-CD1 3.42Å; Y38-I44 HydrophobicContact CE2-CD1 3.67Å; Y38-I44 HydrophobicContact CE2-CG2 3.99Å; Y38-I44 HydrophobicContact CG-CD1 4.44Å; Y38-L142 CarbonylContact O-C 3.51Å; Y38-L142 WeakPolarHBondContact O-CA 3.34Å; Y38-H143 PolarHBondContact N-O 2.8Å; Y38-H143 VanDerWaalsContact N-O 3.08Å; Y38-H143 PolarHBondContact O-N 2.97Å; Y38-V145 HydrophobicContact CD1-CG2 4.44Å; Y38-V145 HydrophobicContact CE1-CB 4.42Å; Y38-V145 HydrophobicContact CE1-CG1 3.76Å; Y38-V145 HydrophobicContact CE1-CG2 3.83Å; Y38-F186 HydrophobicContact CD1-CD1 4.41Å; Y38-F186 HydrophobicContact CD2-CD1 4.3Å; Y38-F186 HydrophobicContact CE1-CD1 4.23Å; Y38-F186 AromaticContact CE1-CE1 3.97Å; Y38-F186 HydrophobicContact CE1-CE1 3.97Å; Y38-F186 HydrophobicContact CE2-CD1 4.14Å; Y38-F186 HydrophobicContact CE2-CE1 4.1Å; Y38-F186 HydrophobicContact CG-CD1 4.44Å; Y38-F186 AromaticContact CZ-CE1 3.71Å
39P92.6Very high90.1Very high0 Ų045 Ų450%025%0.253CS..EExtended strand (participates in β ladder)trans-75.6131.6174.530.9-33.8000111.3E41 N141 L142 L190 S193 E195P39-E41 HydrophobicContact CB-CG 4.36Å; P39-E41 PolarHBondContact O-N 2.98Å; P39-N141 CarbonylContact C-O 3.58Å; P39-N141 WeakPolarHBondContact CA-O 3.41Å; P39-L142 HydrophobicContact CB-CD2 3.92Å; P39-L190 HydrophobicContact CG-CD1 3.64Å; P39-S193 WeakPolarHBondContact CG-OG 3.42Å; P39-E195 WeakPolarHBondContact CD-O 3.46Å
40L88.5Confident90.2Very high46 Ų4640.3 Ų40.324%0.24124%0.238CC..  trans-73.494.1173.6-69.6175.4000110.1Y38 N141 H143Y38-L40 HydrophobicContact CE2-CD2 3.79Å; L40-N141 WeakPolarHBondContact CB-O 3.49Å; L40-N141 PolarHBondContact N-O 3.09Å; L40-H143 HydrophobicContact CD1-CB 3.52Å; L40-H143 HydrophobicContact CD2-CB 3.61Å; L40-H143 HydrophobicContact CG-CB 3.38Å
41E85.6Confident90.3Very high81 Ų8142.5 Ų42.538%0.37925%0.25SC..  trans-120152.2173.6-57.7-174.4-164.600111.8P39 P43 I44 L190P39-E41 HydrophobicContact CB-CG 4.36Å; P39-E41 PolarHBondContact O-N 2.98Å; E41-P43 VanDerWaalsContact C-N 3.31Å; E41-I44 PolarHBondContact O-N 3.35Å; E41-I44 VanDerWaalsContact O-N 3.09Å; E41-L190 HydrophobicContact CB-CD2 3.82Å; E41-L190 HydrophobicContact CG-CD2 4.13Å
42T78.9Confident90.2Very high91 Ų9147.3 Ų47.356%0.55827%0.271SS*.Hα-helixtrans-51.2-37.3-178.8-50.80000114.9I44 E45 N46T42-I44 VanDerWaalsContact C-N 3.3Å; T42-I44 PolarHBondContact O-N 2.69Å; T42-E45 PolarHBondContact O-N 2.89Å; T42-N46 WeakPolarHBondContact CG2-ND2 3.35Å; T42-N46 PolarHBondContact O-N 3.26Å; T42-N46 VanDerWaalsContact O-N 3.15Å; T42-N46 PolarHBondContact O-ND2 3.09Å
43P83.1Confident90.1Very high64 Ų6448.2 Ų48.242%0.41628%0.276SS..Hα-helixtrans-57.5-38.7177.1-27.637.3000113.9E41 A47 C189E41-P43 VanDerWaalsContact C-N 3.31Å; P43-A47 WeakPolarHBondContact O-CB 3.21Å; P43-A47 PolarHBondContact O-N 3.13Å; P43-A47 VanDerWaalsContact O-N 3.12Å; P43-C189 WeakPolarHBondContact CB-O 3.43Å
44I83.7Confident89.7Confident12 Ų1253.7 Ų53.76%0.06231%0.305CS..Hα-helixtrans-70.1-46.7178.9-70173.6000110.8Y38 E41 T42 N46 A47 F186 C189 L190Y38-I44 HydrophobicContact CD2-CD1 3.42Å; Y38-I44 VanDerWaalsContact CD2-CD1 3.42Å; Y38-I44 HydrophobicContact CE2-CD1 3.67Å; Y38-I44 HydrophobicContact CE2-CG2 3.99Å; Y38-I44 HydrophobicContact CG-CD1 4.44Å; E41-I44 PolarHBondContact O-N 3.35Å; E41-I44 VanDerWaalsContact O-N 3.09Å; T42-I44 VanDerWaalsContact C-N 3.3Å; T42-I44 PolarHBondContact O-N 2.69Å; I44-N46 PolarHBondContact O-N 3.37Å; I44-A47 PolarHBondContact O-N 2.96Å; I44-F186 HydrophobicContact CD1-CD1 4.03Å; I44-F186 HydrophobicContact CG1-CD1 4.43Å; I44-F186 HydrophobicContact CG2-CD1 3.77Å; I44-F186 HydrophobicContact CG2-CE1 3.61Å; I44-C189 HydrophobicContact CG1-CB 3.93Å; I44-L190 HydrophobicContact CD1-CD1 3.28Å; I44-L190 HydrophobicContact CD1-CD2 3.95Å; I44-L190 HydrophobicContact CD1-CG 3.58Å; I44-L190 HydrophobicContact CG1-CD1 4.19Å; I44-L190 HydrophobicContact CG1-CD2 4.06Å; I44-L190 HydrophobicContact CG1-CG 3.94Å
45E79Confident89.1Confident107 Ų10756.6 Ų56.650%0.533%0.326SS..Hα-helixtrans-59.6-31.2-178.3-67.7-175.3149.700111.3T42 R160T42-E45 PolarHBondContact O-N 2.89Å; E45-R160 IonicContact OE1-CZ 2.56Å; E45-R160 IonicContact OE1-NH1 2.65Å; E45-R160 PolarHBondContact OE1-NH1 2.94Å; E45-R160 IonicContact OE1-NH2 3.93Å; E45-R160 PolarHBondContact OE1-NH2 3.48Å
46N80.3Confident88.1Confident117 Ų11761.2 Ų61.263%0.62636%0.359SS*.Hα-helixtrans-85.6-21.3177.2-68.3-24.5000114.6T42 I44 S48T42-N46 WeakPolarHBondContact CG2-ND2 3.35Å; T42-N46 PolarHBondContact O-N 3.26Å; T42-N46 VanDerWaalsContact O-N 3.15Å; T42-N46 PolarHBondContact O-ND2 3.09Å; I44-N46 PolarHBondContact O-N 3.37Å; N46-S48 PolarHBondContact O-N 3.15Å; N46-S48 VanDerWaalsContact O-N 3.16Å; N46-S48 PolarHBondContact O-OG 2.65Å
47A82.6Confident87.6Confident38 Ų3865.9 Ų65.931%0.31438%0.379SS..SBendtrans-69-14.5-169.600000114.5P43 I44 L49 C189P43-A47 WeakPolarHBondContact O-CB 3.21Å; P43-A47 PolarHBondContact O-N 3.13Å; P43-A47 VanDerWaalsContact O-N 3.12Å; I44-A47 PolarHBondContact O-N 2.96Å; A47-L49 VanDerWaalsContact C-N 3.33Å; A47-L49 HydrophobicContact CB-CD2 3.74Å; A47-L49 HydrophobicContact CB-CG 3.89Å; A47-L49 PolarHBondContact O-N 2.99Å; A47-C189 VanDerWaalsContact CB-SG 3.57Å
48S83.3Confident87.6Confident102 Ų10265 Ų6571%0.71338%0.375SS*.  trans44.454.9178-57.60000112.6N46 G50N46-S48 PolarHBondContact O-N 3.15Å; N46-S48 VanDerWaalsContact O-N 3.16Å; N46-S48 PolarHBondContact O-OG 2.65Å; S48-G50 PolarHBondContact O-N 3.19Å; S48-G50 VanDerWaalsContact O-N 3.09Å
49L91.7Very high87.8Confident42 Ų4266.4 Ų66.422%0.2238%0.384CS..  trans-68.1-9.4-168.5-64.1179000115.2A47 H167 K185 F186A47-L49 VanDerWaalsContact C-N 3.33Å; A47-L49 HydrophobicContact CB-CD2 3.74Å; A47-L49 HydrophobicContact CB-CG 3.89Å; A47-L49 PolarHBondContact O-N 2.99Å; L49-H167 PolarHBondContact O-ND1 3.13Å; L49-K185 HydrophobicContact CD1-CB 4.35Å; L49-K185 HydrophobicContact CD2-CB 4.07Å; L49-F186 HydrophobicContact CD1-CB 4.47Å; L49-F186 HydrophobicContact CD1-CD1 4.16Å; L49-F186 HydrophobicContact CD1-CD2 3.43Å; L49-F186 VanDerWaalsContact CD1-CD2 3.43Å; L49-F186 HydrophobicContact CD1-CE1 4.25Å; L49-F186 HydrophobicContact CD1-CE2 3.55Å; L49-F186 HydrophobicContact CD1-CG 3.75Å; L49-F186 HydrophobicContact CD1-CZ 3.96Å
50G94.2Very high88Confident23 Ų2366.5 Ų66.524%0.23738%0.384CS..SBendtrans-157.9-168.4177.400000110.8S48 L166S48-G50 PolarHBondContact O-N 3.19Å; S48-G50 VanDerWaalsContact O-N 3.09Å; G50-L166 WeakPolarHBondContact CA-O 3.39Å
51V95.3Very high88.4Confident105 Ų10564.3 Ų64.364%0.63637%0.373SS*.EExtended strand (participates in β ladder)trans-115.2132.1-175.2-175.30000110.2D53 I165 L166V51-D53 PolarHBondContact O-N 3.43Å; V51-I165 CarbonylContact O-C 3.59Å; V51-L166 PolarHBondContact N-O 3.46Å; V51-L166 PolarHBondContact O-N 2.96Å
52E95.1Very high88.9Confident116 Ų11662.1 Ų62.154%0.54236%0.362SS..EExtended strand (participates in β ladder)trans-60.6124.2172-71.3-170.9171.200111A163 P164 I165E52-A163 HydrophobicContact CB-CB 4.02Å; E52-A163 HydrophobicContact CG-CB 4.28Å; E52-P164 WeakPolarHBondContact CA-O 3.41Å; E52-I165 HydrophobicContact CB-CD1 4.38Å; E52-I165 HydrophobicContact CG-CD1 3.56Å
53D94.9Very high89.7Confident24 Ų2459.5 Ų59.513%0.12834%0.344CS..  trans-114.7103.7176.5-171.2-8000110.9V51 S55 K57 Y155 P164 L166V51-D53 PolarHBondContact O-N 3.43Å; D53-S55 VanDerWaalsContact C-N 3.31Å; D53-S55 PolarHBondContact O-N 2.94Å; D53-S55 WeakPolarHBondContact OD1-CB 3.21Å; D53-S55 PolarHBondContact OD1-N 3.29Å; D53-S55 PolarHBondContact OD1-OG 3.33Å; D53-S55 PolarHBondContact OD2-OG 3.06Å; D53-S55 VanDerWaalsContact OD2-OG 3.11Å; D53-K57 IonicContact OD2-NZ 2.9Å; D53-K57 PolarHBondContact OD2-NZ 3.15Å; D53-Y155 HydrophobicContact CB-CE1 4.03Å; D53-Y155 PolarHBondContact OD2-OH 3.31Å; D53-P164 PolarHBondContact N-O 3.2Å; D53-P164 WeakPolarHBondContact O-CD 3.39Å; D53-L166 HydrophobicContact CB-CB 4.2Å
54N90Very high89.9Confident114 Ų11459.8 Ų59.861%0.6134%0.344SS*.  trans-86.46.2178.4-72.3-72.5000113.8S56 A163N54-S56 PolarHBondContact O-N 3.46Å; N54-A163 WeakPolarHBondContact OD1-CB 3.23Å
55S85.3Confident90Very high61 Ų6162.8 Ų62.843%0.42736%0.363SS..SBendtrans-72.97-174.965.50000115.5D53 K57D53-S55 VanDerWaalsContact C-N 3.31Å; D53-S55 PolarHBondContact O-N 2.94Å; D53-S55 WeakPolarHBondContact OD1-CB 3.21Å; D53-S55 PolarHBondContact OD1-N 3.29Å; D53-S55 PolarHBondContact OD1-OG 3.33Å; D53-S55 PolarHBondContact OD2-OG 3.06Å; D53-S55 VanDerWaalsContact OD2-OG 3.11Å; S55-K57 PolarHBondContact O-N 2.56Å; S55-K57 VanDerWaalsContact OG-CD 3.29Å; S55-K57 WeakPolarHBondContact OG-CD 3.35Å; S55-K57 WeakPolarHBondContact OG-CE 3.33Å; S55-K57 WeakPolarHBondContact OG-CG 3.43Å; S55-K57 PolarHBondContact OG-NZ 2.93Å
56S76.9Confident90.2Very high108 Ų10860.5 Ų60.576%0.75537%0.368SS*.  trans59.422.6175.6-57.60000115.7N54 V58N54-S56 PolarHBondContact O-N 3.46Å; S56-V58 VanDerWaalsContact C-N 3.32Å; S56-V58 PolarHBondContact O-N 2.78Å
57K88.4Confident90.1Very high100 Ų10057.3 Ų57.344%0.43535%0.351SS..  trans-67.4-31.9178.3-67.8167.8-170.3150.40113.4D53 S55 H150 Y155D53-K57 IonicContact OD2-NZ 2.9Å; D53-K57 PolarHBondContact OD2-NZ 3.15Å; S55-K57 PolarHBondContact O-N 2.56Å; S55-K57 VanDerWaalsContact OG-CD 3.29Å; S55-K57 WeakPolarHBondContact OG-CD 3.35Å; S55-K57 WeakPolarHBondContact OG-CE 3.33Å; S55-K57 WeakPolarHBondContact OG-CG 3.43Å; S55-K57 PolarHBondContact OG-NZ 2.93Å; K57-H150 PolarHBondContact O-CD2 3.25Å; K57-H150 PolarHBondContact O-CE1 2.77Å; K57-H150 PolarHBondContact O-NE2 2.77Å; K57-Y155 WeakPolarHBondContact CD-OH 3.27Å
58V96.8Very high90.3Very high9 Ų956.2 Ų56.26%0.05534%0.342CS..SBendtrans-119.4151.4179.9-66.40000110.4S56 L60 N80 V148 H150 Y155 L157 P164S56-V58 VanDerWaalsContact C-N 3.32Å; S56-V58 PolarHBondContact O-N 2.78Å; V58-L60 PolarHBondContact O-N 2.66Å; V58-N80 WeakPolarHBondContact CB-OD1 3.45Å; V58-V148 HydrophobicContact CG1-CG2 4.5Å; V58-H150 HydrophobicContact CG1-CB 3.5Å; V58-H150 VanDerWaalsContact CG1-CB 3.5Å; V58-Y155 HydrophobicContact CG1-CD2 3.64Å; V58-Y155 HydrophobicContact CG1-CE2 4Å; V58-Y155 HydrophobicContact CG1-CG 3.95Å; V58-Y155 HydrophobicContact CG2-CD1 4.05Å; V58-Y155 HydrophobicContact CG2-CG 4.07Å; V58-L157 HydrophobicContact CB-CD2 4.29Å; V58-L157 HydrophobicContact CG2-CD2 3.7Å; V58-P164 HydrophobicContact CG2-CB 3.51Å; V58-P164 HydrophobicContact CG2-CG 3.35Å
59V97Very high90.7Very high34 Ų3452 Ų5221%0.20631%0.312CS..  trans-85100.3179.8177.80000108.9I61 V79 N80V59-I61 HydrophobicContact CG1-CG1 4.49Å; V59-V79 HydrophobicContact CB-CG1 3.76Å; V59-V79 HydrophobicContact CB-CG2 4.09Å; V59-V79 HydrophobicContact CG1-CB 4.4Å; V59-V79 HydrophobicContact CG1-CG1 3.65Å; V59-V79 HydrophobicContact CG1-CG2 3.82Å; V59-V79 HydrophobicContact CG2-CG2 4.17Å; V59-N80 PolarHBondContact N-OD1 3.07Å; V59-N80 PolarHBondContact O-ND2 2.89Å
60L97.6Very high90.7Very high2 Ų251.1 Ų51.11%0.0131%0.314CS..  trans-86.1136.9166.5-174.168.7000110.2V58 P105 R108 L157 P164V58-L60 PolarHBondContact O-N 2.66Å; L60-P105 HydrophobicContact CB-CB 4.21Å; L60-P105 HydrophobicContact CB-CG 4.09Å; L60-P105 HydrophobicContact CD2-CB 4.06Å; L60-P105 HydrophobicContact CD2-CG 4.15Å; L60-P105 HydrophobicContact CG-CB 4.12Å; L60-P105 HydrophobicContact CG-CG 4.4Å; L60-P105 WeakPolarHBondContact O-CA 3.49Å; L60-R108 VanDerWaalsContact O-CD 3.27Å; L60-R108 WeakPolarHBondContact O-CD 3.28Å; L60-R108 PolarHBondContact O-NH1 2.96Å; L60-L157 HydrophobicContact CD1-CB 4.27Å; L60-L157 HydrophobicContact CD1-CD2 4.14Å; L60-P164 HydrophobicContact CB-CG 4.14Å
61I97.4Very high90.7Very high0 Ų051 Ų510%031%0.308CS..  trans-116.4123171.8-53.1165.5000107V59 I72 L75 H76 V79 F100 R108 V112 G159V59-I61 HydrophobicContact CG1-CG1 4.49Å; I61-I72 HydrophobicContact CB-CG2 4.5Å; I61-I72 HydrophobicContact CG2-CD1 3.98Å; I61-L75 HydrophobicContact CD1-CB 3.6Å; I61-L75 HydrophobicContact CD1-CD1 4.47Å; I61-H76 WeakPolarHBondContact CB-NE2 3.37Å; I61-H76 PolarHBondContact N-NE2 3.49Å; I61-H76 PolarHBondContact O-NE2 3.36Å; I61-V79 HydrophobicContact CD1-CG1 4.5Å; I61-F100 HydrophobicContact CD1-CD2 4.32Å; I61-F100 HydrophobicContact CD1-CE2 3.48Å; I61-F100 VanDerWaalsContact CD1-CE2 3.48Å; I61-F100 HydrophobicContact CD1-CZ 3.81Å; I61-F100 HydrophobicContact CG1-CE2 4.08Å; I61-F100 HydrophobicContact CG1-CZ 4.29Å; I61-R108 HydrophobicContact CB-CB 4.38Å; I61-R108 HydrophobicContact CG1-CB 4.25Å; I61-R108 HydrophobicContact CG2-CB 4.04Å; I61-V112 HydrophobicContact CG2-CG2 4Å; I61-G159 WeakPolarHBondContact O-CA 3.42Å
62K96.6Very high90.7Very high36 Ų3646.3 Ų46.316%0.15728%0.279CS..  trans-71.9134.9176.2-16777.7-169.5-178.70109.7T64 P105 G109 G159 R160 K161 N162K62-T64 HydrophobicContact CB-CG2 4.44Å; K62-T64 HydrophobicContact CG-CG2 4.1Å; K62-P105 VanDerWaalsContact CB-O 3.23Å; K62-P105 WeakPolarHBondContact CB-O 3.43Å; K62-P105 PolarHBondContact N-O 2.82Å; K62-G109 WeakPolarHBondContact O-CA 3.33Å; K62-G159 WeakPolarHBondContact CD-O 3.26Å; K62-G159 WeakPolarHBondContact CE-O 3.41Å; K62-R160 VanDerWaalsContact NZ-C 3.29Å; K62-R160 PolarHBondContact NZ-O 2.66Å; K62-K161 WeakPolarHBondContact CD-O 3.49Å; K62-K161 PolarHBondContact NZ-O 2.83Å; K62-N162 PolarHBondContact NZ-OD1 3.41Å
63Q94.5Very high90.8Very high36 Ų3640.9 Ų40.917%0.16825%0.254CS..  trans-83.4121.1167.7-177.3179-22.600109V65 C69 I72 G159Q63-V65 VanDerWaalsContact CG-O 3.28Å; Q63-V65 WeakPolarHBondContact CG-O 3.36Å; Q63-V65 PolarHBondContact NE2-O 2.88Å; Q63-C69 VanDerWaalsContact OE1-CB 3.23Å; Q63-I72 HydrophobicContact CB-CG1 4.04Å; Q63-I72 HydrophobicContact CG-CG1 4.12Å; Q63-G159 PolarHBondContact N-O 3.31Å
64T87.9Confident90.9Very high70 Ų7041.3 Ų41.343%0.42926%0.256SS..  trans-119.5-13.8-178.847.20000112K62 E113K62-T64 HydrophobicContact CB-CG2 4.44Å; K62-T64 HydrophobicContact CG-CG2 4.1Å; T64-E113 WeakPolarHBondContact CB-OE1 3.47Å; T64-E113 WeakPolarHBondContact OG1-CG 3.28Å; T64-E113 PolarHBondContact OG1-OE1 2.9Å
65V84.5Confident91.2Very high74 Ų7436 Ų3645%0.44823%0.228SC..SBendtrans-103.3137.5173.7-168.20000111Q63 A68 E113Q63-V65 VanDerWaalsContact CG-O 3.28Å; Q63-V65 WeakPolarHBondContact CG-O 3.36Å; Q63-V65 PolarHBondContact NE2-O 2.88Å; V65-A68 HydrophobicContact CB-CB 4.01Å; V65-E113 HydrophobicContact CG2-CG 3.42Å; V65-E113 VanDerWaalsContact CG2-CG 3.42Å; V65-E113 VanDerWaalsContact CG2-OE1 3.25Å; V65-E113 WeakPolarHBondContact CG2-OE1 3.43Å
66G83.3Confident91.8Very high59 Ų5933.1 Ų33.161%0.60821%0.208SC*.THydrogen-bonded Turntrans-59.9145.717100000111.9A68G66-A68 PolarHBondContact O-N 2.88Å
67N79.9Confident92.7Very high50 Ų5028 Ų2827%0.26717%0.172SC..THydrogen-bonded Turntrans59.89.4176.6-61.9-25.4000116.4C69 A136 S138 T140N67-C69 VanDerWaalsContact C-N 3.34Å; N67-A136 PolarHBondContact ND2-O 3.38Å; N67-S138 PolarHBondContact ND2-O 2.89Å; N67-T140 VanDerWaalsContact OD1-CG2 3.24Å; N67-T140 WeakPolarHBondContact OD1-CG2 3.4Å
68A86.9Confident93.1Very high15 Ų1523.2 Ų23.212%0.12415%0.151CC..  trans-87.74.6176.500000114.2V65 G66 G70 T71 I72V65-A68 HydrophobicContact CB-CB 4.01Å; G66-A68 PolarHBondContact O-N 2.88Å; A68-G70 VanDerWaalsContact C-N 3.3Å; A68-G70 PolarHBondContact O-N 3.2Å; A68-T71 WeakPolarHBondContact O-CB 3.49Å; A68-T71 PolarHBondContact O-N 3.34Å; A68-I72 HydrophobicContact CB-CG1 4.46Å; A68-I72 WeakPolarHBondContact O-CG1 3.45Å; A68-I72 PolarHBondContact O-N 2.65Å
69C90.7Very high93Very high14 Ų1423.2 Ų23.210%0.09515%0.151CC..Hα-helixtrans-56.2-40.6-17257.30000112.9Q63 N67 T71 I72 A73 H143 F144Q63-C69 VanDerWaalsContact OE1-CB 3.23Å; N67-C69 VanDerWaalsContact C-N 3.34Å; C69-T71 PolarHBondContact O-N 2.74Å; C69-I72 PolarHBondContact O-N 2.68Å; C69-A73 VanDerWaalsContact O-CB 3.3Å; C69-A73 WeakPolarHBondContact O-CB 3.25Å; C69-A73 PolarHBondContact O-N 3.25Å; C69-H143 WeakPolarHBondContact CB-ND1 3.43Å; C69-F144 HydrophobicContact CB-CB 4.24Å
70G92.1Very high93Very high24 Ų2422.2 Ų22.225%0.24715%0.145CC..Hα-helixtrans-62.3-41.4176.300000113.1A68 L74A68-G70 VanDerWaalsContact C-N 3.3Å; A68-G70 PolarHBondContact O-N 3.2Å; G70-L74 VanDerWaalsContact O-CB 3.32Å; G70-L74 WeakPolarHBondContact O-CB 3.41Å; G70-L74 PolarHBondContact O-N 3.08Å
71T93.6Very high92.9Very high19 Ų1922.1 Ų22.112%0.11714%0.144CC..Hα-helixtrans-65.4-44174.4-66.90000111.5A68 C69 L74 L75 I118 H122A68-T71 WeakPolarHBondContact O-CB 3.49Å; A68-T71 PolarHBondContact O-N 3.34Å; C69-T71 PolarHBondContact O-N 2.74Å; T71-L74 PolarHBondContact O-N 3.09Å; T71-L75 HydrophobicContact CG2-CD1 4.08Å; T71-L75 HydrophobicContact CG2-CG 4.45Å; T71-L75 WeakPolarHBondContact O-CG 3.43Å; T71-L75 PolarHBondContact O-N 3.11Å; T71-I118 HydrophobicContact CG2-CG2 3.49Å; T71-I118 VanDerWaalsContact CG2-CG2 3.49Å; T71-H122 PolarHBondContact OG1-ND1 2.92Å
72I96.4Very high92.7Very high7 Ų726.8 Ų26.84%0.03617%0.165CC..Hα-helixtrans-63.9-45.6-179.8-64.7-63.2000110.6I61 Q63 A68 C69 L74 L75 H76 V112I61-I72 HydrophobicContact CB-CG2 4.5Å; I61-I72 HydrophobicContact CG2-CD1 3.98Å; Q63-I72 HydrophobicContact CB-CG1 4.04Å; Q63-I72 HydrophobicContact CG-CG1 4.12Å; A68-I72 HydrophobicContact CB-CG1 4.46Å; A68-I72 WeakPolarHBondContact O-CG1 3.45Å; A68-I72 PolarHBondContact O-N 2.65Å; C69-I72 PolarHBondContact O-N 2.68Å; I72-L74 VanDerWaalsContact C-N 3.33Å; I72-L74 PolarHBondContact O-N 3.37Å; I72-L75 PolarHBondContact O-N 3.43Å; I72-H76 VanDerWaalsContact CG2-CE1 3.45Å; I72-H76 WeakPolarHBondContact CG2-CE1 3.24Å; I72-H76 VanDerWaalsContact O-CG 3.32Å; I72-H76 PolarHBondContact O-N 2.85Å; I72-V112 HydrophobicContact CD1-CG1 4.1Å
73A97.1Very high92.4Very high2 Ų231.4 Ų31.42%0.01719%0.187CC..Hα-helixtrans-64-38.3177.300000111.6L35 C69 H76 A77 F144 C146L35-A73 VanDerWaalsContact CD2-C 3.45Å; L35-A73 HydrophobicContact CD2-CB 3.35Å; C69-A73 VanDerWaalsContact O-CB 3.3Å; C69-A73 WeakPolarHBondContact O-CB 3.25Å; C69-A73 PolarHBondContact O-N 3.25Å; A73-H76 WeakPolarHBondContact O-CB 3.48Å; A73-H76 PolarHBondContact O-N 3.32Å; A73-A77 PolarHBondContact O-N 3.14Å; A73-F144 HydrophobicContact CB-CB 3.86Å; A73-C146 HydrophobicContact CB-CB 4.24Å
74L95.7Very high92.2Very high33 Ų3333.4 Ų33.417%0.17320%0.195CC..Hα-helixtrans-62.3-45.1172.2175.462.6000112M1 L4 F13 G70 T71 I72 H76 A77 I78M1-L74 HydrophobicContact CG-CD1 3.8Å; M1-L74 HydrophobicContact SD-CD1 4.37Å; L4-L74 HydrophobicContact CD1-CD2 4.01Å; F13-L74 HydrophobicContact CD2-CD1 4.42Å; F13-L74 HydrophobicContact CE2-CD1 3.46Å; F13-L74 VanDerWaalsContact CE2-CD1 3.46Å; F13-L74 HydrophobicContact CZ-CD1 4.04Å; G70-L74 VanDerWaalsContact O-CB 3.32Å; G70-L74 WeakPolarHBondContact O-CB 3.41Å; G70-L74 PolarHBondContact O-N 3.08Å; T71-L74 PolarHBondContact O-N 3.09Å; I72-L74 VanDerWaalsContact C-N 3.33Å; I72-L74 PolarHBondContact O-N 3.37Å; L74-H76 VanDerWaalsContact C-N 3.33Å; L74-H76 PolarHBondContact O-N 2.9Å; L74-A77 WeakPolarHBondContact O-CB 3.34Å; L74-A77 PolarHBondContact O-N 3.21Å; L74-I78 HydrophobicContact CD1-CD1 4.01Å; L74-I78 HydrophobicContact CD1-CG1 4.34Å; L74-I78 HydrophobicContact CG-CD1 3.98Å; L74-I78 WeakPolarHBondContact O-CG1 3.43Å; L74-I78 PolarHBondContact O-N 2.93Å
75L96.5Very high92.3Very high2 Ų230.4 Ų30.41%0.0118%0.176CC..Hα-helixtrans-64.5-38.8177.5-72.5172.7000111.4I61 T71 I72 I78 V79 L93 V112 I118I61-L75 HydrophobicContact CD1-CB 3.6Å; I61-L75 HydrophobicContact CD1-CD1 4.47Å; T71-L75 HydrophobicContact CG2-CD1 4.08Å; T71-L75 HydrophobicContact CG2-CG 4.45Å; T71-L75 WeakPolarHBondContact O-CG 3.43Å; T71-L75 PolarHBondContact O-N 3.11Å; I72-L75 PolarHBondContact O-N 3.43Å; L75-I78 PolarHBondContact O-N 2.97Å; L75-V79 WeakPolarHBondContact O-CB 3.3Å; L75-V79 VanDerWaalsContact O-CG1 3.22Å; L75-V79 WeakPolarHBondContact O-CG1 3.41Å; L75-V79 PolarHBondContact O-N 2.76Å; L75-L93 HydrophobicContact CD2-CD1 4.13Å; L75-V112 HydrophobicContact CD1-CG1 4.2Å; L75-V112 HydrophobicContact CD1-CG2 3.7Å; L75-I118 HydrophobicContact CD1-CD1 4.25Å
76H97.8Very high92.5Very high1 Ų129 Ų291%0.00517%0.169CC..Hα-helixtrans-57.4-47.6172-71.7162.3000111.7I61 I72 A73 L74 I78 N80 C146 L157I61-H76 WeakPolarHBondContact CB-NE2 3.37Å; I61-H76 PolarHBondContact N-NE2 3.49Å; I61-H76 PolarHBondContact O-NE2 3.36Å; I72-H76 VanDerWaalsContact CG2-CE1 3.45Å; I72-H76 WeakPolarHBondContact CG2-CE1 3.24Å; I72-H76 VanDerWaalsContact O-CG 3.32Å; I72-H76 PolarHBondContact O-N 2.85Å; A73-H76 WeakPolarHBondContact O-CB 3.48Å; A73-H76 PolarHBondContact O-N 3.32Å; L74-H76 VanDerWaalsContact C-N 3.33Å; L74-H76 PolarHBondContact O-N 2.9Å; H76-I78 VanDerWaalsContact C-N 3.33Å; H76-I78 PolarHBondContact O-N 2.98Å; H76-N80 WeakPolarHBondContact O-CB 3.32Å; H76-N80 PolarHBondContact O-N 3.4Å; H76-N80 PolarHBondContact O-ND2 3.4Å; H76-C146 HydrophobicContact CB-CB 3.75Å; H76-L157 HydrophobicContact CB-CB 4.14Å; H76-L157 HydrophobicContact CB-CD1 3.74Å; H76-L157 VanDerWaalsContact ND1-CB 3.32Å; H76-L157 WeakPolarHBondContact ND1-CB 3.42Å
77A97.3Very high92.7Very high0 Ų027.5 Ų27.50%015%0.147CC..Hα-helixtrans-58.1-45.6177.600000111.8F13 S33 A73 L74 N81F13-A77 HydrophobicContact CZ-CB 4.15Å; S33-A77 WeakPolarHBondContact OG-CB 3.19Å; A73-A77 PolarHBondContact O-N 3.14Å; L74-A77 WeakPolarHBondContact O-CB 3.34Å; L74-A77 PolarHBondContact O-N 3.21Å; A77-N81 WeakPolarHBondContact O-CB 3.13Å; A77-N81 PolarHBondContact O-N 2.89Å; A77-N81 PolarHBondContact O-ND2 3.18Å
78I95.3Very high93Very high0 Ų031.3 Ų31.30%016%0.161CC..Hα-helixtrans-67.6-56.1-178.6-68.5169000111.3M1 L4 V6 L74 L75 H76 N80 N81 K82 L85 I87 L93 L97M1-I78 HydrophobicContact CG-CD1 4.31Å; L4-I78 HydrophobicContact CD1-CD1 4.36Å; V6-I78 HydrophobicContact CG2-CD1 4.49Å; L74-I78 HydrophobicContact CD1-CD1 4.01Å; L74-I78 HydrophobicContact CD1-CG1 4.34Å; L74-I78 HydrophobicContact CG-CD1 3.98Å; L74-I78 WeakPolarHBondContact O-CG1 3.43Å; L74-I78 PolarHBondContact O-N 2.93Å; L75-I78 PolarHBondContact O-N 2.97Å; H76-I78 VanDerWaalsContact C-N 3.33Å; H76-I78 PolarHBondContact O-N 2.98Å; I78-N80 VanDerWaalsContact C-N 3.29Å; I78-N80 PolarHBondContact O-N 3.45Å; I78-N81 CarbonylContact O-C 3.36Å; I78-N81 PolarHBondContact O-N 3.1Å; I78-N81 VanDerWaalsContact O-N 3.08Å; I78-K82 PolarHBondContact O-N 3.03Å; I78-L85 HydrophobicContact CB-CD1 4.25Å; I78-L85 HydrophobicContact CG1-CD1 4.25Å; I78-L85 HydrophobicContact CG2-CD1 4.21Å; I78-I87 HydrophobicContact CG2-CD1 3.93Å; I78-L93 HydrophobicContact CD1-CD2 4.26Å; I78-L93 HydrophobicContact CG2-CD1 4.28Å; I78-L93 HydrophobicContact CG2-CD2 3.91Å; I78-L93 HydrophobicContact CG2-CG 4.45Å; I78-L97 HydrophobicContact CG2-CD1 4.24Å
79V95.9Very high93Very high10 Ų1037.6 Ų37.66%0.06119%0.193CC..Hα-helixtrans-65.2-34.3-170.369.10000112.4V59 I61 L75 N81 L97 F100V59-V79 HydrophobicContact CB-CG1 3.76Å; V59-V79 HydrophobicContact CB-CG2 4.09Å; V59-V79 HydrophobicContact CG1-CB 4.4Å; V59-V79 HydrophobicContact CG1-CG1 3.65Å; V59-V79 HydrophobicContact CG1-CG2 3.82Å; V59-V79 HydrophobicContact CG2-CG2 4.17Å; I61-V79 HydrophobicContact CD1-CG1 4.5Å; L75-V79 WeakPolarHBondContact O-CB 3.3Å; L75-V79 VanDerWaalsContact O-CG1 3.22Å; L75-V79 WeakPolarHBondContact O-CG1 3.41Å; L75-V79 PolarHBondContact O-N 2.76Å; V79-N81 VanDerWaalsContact C-N 3.29Å; V79-N81 PolarHBondContact O-N 3.36Å; V79-L97 HydrophobicContact CB-CD2 3.75Å; V79-L97 HydrophobicContact CG2-CD2 3.76Å; V79-F100 HydrophobicContact CG2-CD2 4.25Å
80N97.1Very high92.8Very high13 Ų1340.5 Ų40.57%0.0723%0.225CC..Hα-helixtrans-81.2-9.5179.2-69.1-77.4000113.1V58 V59 H76 I78 V148 L157V58-N80 WeakPolarHBondContact CB-OD1 3.45Å; V59-N80 PolarHBondContact N-OD1 3.07Å; V59-N80 PolarHBondContact O-ND2 2.89Å; H76-N80 WeakPolarHBondContact O-CB 3.32Å; H76-N80 PolarHBondContact O-N 3.4Å; H76-N80 PolarHBondContact O-ND2 3.4Å; I78-N80 VanDerWaalsContact C-N 3.29Å; I78-N80 PolarHBondContact O-N 3.45Å; N80-V148 HydrophobicContact CB-CB 4.37Å; N80-V148 HydrophobicContact CB-CG1 4.15Å; N80-V148 HydrophobicContact CB-CG2 4.18Å; N80-L157 VanDerWaalsContact ND2-CD1 3.26Å; N80-L157 WeakPolarHBondContact ND2-CD1 3.41Å
81N95.4Very high92.7Very high0 Ų040.1 Ų40.10%022%0.219CC..THydrogen-bonded Turntrans-121.719.6174.6-69.3-73.4000113.1I32 A77 I78 V79 Q83 K84 L85I32-N81 HydrophobicContact CD1-CB 3.87Å; I32-N81 PolarHBondContact O-ND2 3.19Å; I32-N81 PolarHBondContact O-OD1 2.79Å; A77-N81 WeakPolarHBondContact O-CB 3.13Å; A77-N81 PolarHBondContact O-N 2.89Å; A77-N81 PolarHBondContact O-ND2 3.18Å; I78-N81 CarbonylContact O-C 3.36Å; I78-N81 PolarHBondContact O-N 3.1Å; I78-N81 VanDerWaalsContact O-N 3.08Å; V79-N81 VanDerWaalsContact C-N 3.29Å; V79-N81 PolarHBondContact O-N 3.36Å; N81-Q83 PolarHBondContact O-N 3.39Å; N81-K84 PolarHBondContact O-N 3.23Å; N81-K84 PolarHBondContact OD1-NZ 2.96Å; N81-L85 HydrophobicContact CB-CD1 4.31Å; N81-L85 HydrophobicContact CB-CG 4.46Å; N81-L85 WeakPolarHBondContact O-CG 3.34Å; N81-L85 PolarHBondContact O-N 3.08Å
82K91.7Very high92.5Very high98 Ų9841 Ų4143%0.42622%0.221SC..THydrogen-bonded Turntrans-56.7-25.1-174.568.4176.9-176.4173.20114.3I78 I87 L97I78-K82 PolarHBondContact O-N 3.03Å; K82-I87 HydrophobicContact CB-CD1 4.11Å; K82-L97 HydrophobicContact CB-CD1 4.39Å
83Q90.1Very high92.3Very high133 Ų13340.8 Ų40.862%0.62122%0.22SC*.THydrogen-bonded Turntrans-75.6-20.817668.9-75.51.900114.2N81N81-Q83 PolarHBondContact O-N 3.39Å
84K91Very high92Very high77 Ų7741.3 Ų41.334%0.33522%0.224SC..THydrogen-bonded Turntrans-96.8-18.8176.2-57.1178.9-171.4157.50111.7W11 I32 N81 E149W11-K84 HydrophobicContact CZ2-CB 4.25Å; W11-K84 PolarHBondContact NE1-O 3.37Å; I32-K84 HydrophobicContact CB-CD 4.2Å; I32-K84 HydrophobicContact CD1-CB 4.37Å; I32-K84 HydrophobicContact CD1-CD 4.46Å; I32-K84 HydrophobicContact CG2-CD 3.57Å; N81-K84 PolarHBondContact O-N 3.23Å; N81-K84 PolarHBondContact OD1-NZ 2.96Å; K84-E149 IonicContact NZ-OE2 2.78Å
85L90.7Very high91.9Very high8 Ų841.7 Ų41.74%0.04223%0.229CC..SBendtrans-101127.6-176.9-62.7174.3000110.4W11 I32 I78 N81 I87 L201W11-L85 HydrophobicContact CB-CD2 3.83Å; W11-L85 HydrophobicContact CD2-CD2 4.11Å; W11-L85 HydrophobicContact CG-CD2 3.6Å; I32-L85 HydrophobicContact CD1-CD2 4.04Å; I32-L85 HydrophobicContact CD1-CG 4.42Å; I78-L85 HydrophobicContact CB-CD1 4.25Å; I78-L85 HydrophobicContact CG1-CD1 4.25Å; I78-L85 HydrophobicContact CG2-CD1 4.21Å; N81-L85 HydrophobicContact CB-CD1 4.31Å; N81-L85 HydrophobicContact CB-CG 4.46Å; N81-L85 WeakPolarHBondContact O-CG 3.34Å; N81-L85 PolarHBondContact O-N 3.08Å; L85-I87 HydrophobicContact CB-CG1 4.29Å; L85-I87 PolarHBondContact O-N 3.37Å; L85-L201 HydrophobicContact CD2-CD2 4.3Å
86S87.9Confident91.8Very high43 Ų4341.6 Ų41.630%0.30123%0.229SC..  trans-75.398.3170.2-67.50000109.6V7 E8V7-S86 WeakPolarHBondContact CG2-O 3.49Å; V7-S86 PolarHBondContact N-O 3.01Å; E8-S86 WeakPolarHBondContact OE1-CB 3.22Å; E8-S86 PolarHBondContact OE1-OG 3.32Å
87I88.4Confident91.6Very high29 Ų2942.1 Ų42.115%0.14923%0.231CC..BIsolated β-bridgetrans-98128.8173.8-57.3176.6000107.5I78 K82 L85 D89 L93 L97I78-I87 HydrophobicContact CG2-CD1 3.93Å; K82-I87 HydrophobicContact CB-CD1 4.11Å; L85-I87 HydrophobicContact CB-CG1 4.29Å; L85-I87 PolarHBondContact O-N 3.37Å; I87-D89 PolarHBondContact O-N 3.13Å; I87-L93 HydrophobicContact CD1-CD2 4.25Å; I87-L93 HydrophobicContact CG1-CD2 4.4Å; I87-L93 HydrophobicContact CG2-CB 4.46Å; I87-L93 HydrophobicContact CG2-CD2 4.18Å; I87-L93 HydrophobicContact CG2-CG 4.25Å; I87-L97 HydrophobicContact CD1-CD1 3.46Å; I87-L97 VanDerWaalsContact CD1-CD1 3.46Å
88K86Confident91.5Very high129 Ų12947.2 Ų47.256%0.56126%0.255SS*.PPolyproline II helixtrans-68.9123.9-178178.8178.1178.3-179.20110.2G5 V7 G90 S91G5-K88 PolarHBondContact O-N 3.14Å; G5-K88 VanDerWaalsContact O-N 3.15Å; V7-K88 HydrophobicContact CG1-CB 3.84Å; V7-K88 HydrophobicContact CG1-CD 4.23Å; V7-K88 HydrophobicContact CG1-CG 4.5Å; V7-K88 HydrophobicContact CG2-CB 3.82Å; K88-G90 PolarHBondContact O-N 2.98Å; K88-S91 WeakPolarHBondContact O-CB 3.34Å; K88-S91 PolarHBondContact O-N 2.98Å; K88-S91 PolarHBondContact O-OG 3.32Å
89D86.9Confident91.5Very high147 Ų14750.5 Ų50.579%0.78627%0.273SS*.THydrogen-bonded Turntrans-54.8136.9173.6-69.4-17.7000111.3I87 S91I87-D89 PolarHBondContact O-N 3.13Å; D89-S91 PolarHBondContact O-N 2.69Å
90G87Confident91.5Very high75 Ų7550.2 Ų50.277%0.77327%0.27SS*.THydrogen-bonded Turntrans68.76.9-176.600000114.6K88K88-G90 PolarHBondContact O-N 2.98Å
91S89Confident91.3Very high16 Ų1654.9 Ų54.911%0.11229%0.292CS..SBendtrans-67.4161.7168.6660000111.6K88 D89 L93 S94 S95K88-S91 WeakPolarHBondContact O-CB 3.34Å; K88-S91 PolarHBondContact O-N 2.98Å; K88-S91 PolarHBondContact O-OG 3.32Å; D89-S91 PolarHBondContact O-N 2.69Å; S91-L93 VanDerWaalsContact C-N 3.3Å; S91-L93 PolarHBondContact O-N 3.47Å; S91-S94 WeakPolarHBondContact O-CB 3.45Å; S91-S94 PolarHBondContact O-N 2.88Å; S91-S94 VanDerWaalsContact O-N 3.13Å; S91-S94 PolarHBondContact OG-N 3.27Å; S91-S94 VanDerWaalsContact OG-N 3.15Å; S91-S95 PolarHBondContact O-N 3.37Å; S91-S95 VanDerWaalsContact O-N 3.09Å
92F90.4Very high91.1Very high39 Ų3962.6 Ų62.617%0.17133%0.333CS..Hα-helixtrans-53.1-48.4172.8169.5-103.9000111.5L4 S94 S95 V96 K115 E117 I118L4-F92 HydrophobicContact CD2-CD1 4.31Å; L4-F92 HydrophobicContact CD2-CE1 4.13Å; F92-S94 PolarHBondContact O-N 3.22Å; F92-S95 PolarHBondContact O-N 3.45Å; F92-S95 PolarHBondContact O-OG 3.38Å; F92-V96 HydrophobicContact CD1-CG2 4.45Å; F92-V96 HydrophobicContact CD2-CG2 4.4Å; F92-V96 HydrophobicContact CE1-CG2 3.93Å; F92-V96 HydrophobicContact CE2-CG2 3.87Å; F92-V96 HydrophobicContact CZ-CG2 3.6Å; F92-V96 WeakPolarHBondContact O-CG2 3.43Å; F92-V96 PolarHBondContact O-N 3.5Å; F92-V96 VanDerWaalsContact O-N 3.08Å; F92-K115 HydrophobicContact CE2-CB 4.25Å; F92-K115 HydrophobicContact CE2-CD 4.11Å; F92-K115 HydrophobicContact CZ-CB 3.93Å; F92-K115 HydrophobicContact CZ-CG 4.5Å; F92-E117 HydrophobicContact CD1-CB 4.48Å; F92-E117 HydrophobicContact CD1-CG 4.08Å; F92-E117 HydrophobicContact CD2-CB 4.17Å; F92-E117 HydrophobicContact CD2-CG 4.3Å; F92-E117 WeakPolarHBondContact CD2-OE2 3.43Å; F92-E117 HydrophobicContact CE1-CB 4.05Å; F92-E117 HydrophobicContact CE1-CG 4.04Å; F92-E117 HydrophobicContact CE2-CB 3.71Å; F92-E117 HydrophobicContact CE2-CG 4.26Å; F92-E117 VanDerWaalsContact CG-CD 3.44Å; F92-E117 HydrophobicContact CG-CG 4.21Å; F92-E117 VanDerWaalsContact CG-OE2 3.31Å; F92-E117 WeakPolarHBondContact CG-OE2 3.47Å; F92-E117 HydrophobicContact CZ-CB 3.64Å; F92-E117 HydrophobicContact CZ-CG 4.14Å; F92-I118 HydrophobicContact CE1-CD1 4.29Å; F92-I118 HydrophobicContact CE1-CG1 3.68Å; F92-I118 HydrophobicContact CZ-CD1 4.16Å; F92-I118 HydrophobicContact CZ-CG1 3.75Å
93L90.8Very high91.3Very high1 Ų162 Ų621%0.00533%0.331CS..Hα-helixtrans-60.7-41.8176.6178.762.7000112.7L4 V6 L75 I78 I87 S91 S95 V96 L97L4-L93 HydrophobicContact CB-CB 4.25Å; L4-L93 HydrophobicContact CB-CD2 4.15Å; L4-L93 WeakPolarHBondContact O-CB 3.44Å; L4-L93 PolarHBondContact O-N 2.95Å; V6-L93 HydrophobicContact CG2-CD2 3.73Å; L75-L93 HydrophobicContact CD2-CD1 4.13Å; I78-L93 HydrophobicContact CD1-CD2 4.26Å; I78-L93 HydrophobicContact CG2-CD1 4.28Å; I78-L93 HydrophobicContact CG2-CD2 3.91Å; I78-L93 HydrophobicContact CG2-CG 4.45Å; I87-L93 HydrophobicContact CD1-CD2 4.25Å; I87-L93 HydrophobicContact CG1-CD2 4.4Å; I87-L93 HydrophobicContact CG2-CB 4.46Å; I87-L93 HydrophobicContact CG2-CD2 4.18Å; I87-L93 HydrophobicContact CG2-CG 4.25Å; S91-L93 VanDerWaalsContact C-N 3.3Å; S91-L93 PolarHBondContact O-N 3.47Å; L93-S95 VanDerWaalsContact C-N 3.3Å; L93-S95 PolarHBondContact O-N 3.33Å; L93-V96 PolarHBondContact O-N 2.86Å; L93-V96 VanDerWaalsContact O-N 3.14Å; L93-L97 HydrophobicContact CD1-CD1 4.47Å; L93-L97 HydrophobicContact CD1-CD2 4.2Å; L93-L97 HydrophobicContact CD1-CG 4.11Å; L93-L97 HydrophobicContact CG-CD1 4.37Å; L93-L97 HydrophobicContact CG-CG 4.35Å; L93-L97 WeakPolarHBondContact O-CG 3.45Å; L93-L97 PolarHBondContact O-N 3.03Å
94S91.7Very high91.6Very high14 Ų1459.1 Ų59.110%0.09832%0.322CS..Hα-helixtrans-53.2-49.8174.4-166.20000111.1S91 F92 V96 L97 E98S91-S94 WeakPolarHBondContact O-CB 3.45Å; S91-S94 PolarHBondContact O-N 2.88Å; S91-S94 VanDerWaalsContact O-N 3.13Å; S91-S94 PolarHBondContact OG-N 3.27Å; S91-S94 VanDerWaalsContact OG-N 3.15Å; F92-S94 PolarHBondContact O-N 3.22Å; S94-V96 VanDerWaalsContact C-N 3.31Å; S94-V96 PolarHBondContact O-N 3.33Å; S94-L97 PolarHBondContact O-N 2.85Å; S94-L97 VanDerWaalsContact O-N 3.11Å; S94-E98 WeakPolarHBondContact O-CG 3.47Å; S94-E98 PolarHBondContact O-N 2.97Å; S94-E98 PolarHBondContact OG-OE1 2.88Å
95S92.8Very high91.8Very high40 Ų4057.2 Ų57.228%0.2832%0.318SS..Hα-helixtrans-61.7-36.7179.676.70000113.2S91 F92 L93 D99S91-S95 PolarHBondContact O-N 3.37Å; S91-S95 VanDerWaalsContact O-N 3.09Å; F92-S95 PolarHBondContact O-N 3.45Å; F92-S95 PolarHBondContact O-OG 3.38Å; L93-S95 VanDerWaalsContact C-N 3.3Å; L93-S95 PolarHBondContact O-N 3.33Å; S95-D99 VanDerWaalsContact O-CG 3.3Å; S95-D99 PolarHBondContact O-N 3.01Å; S95-D99 VanDerWaalsContact O-N 3.09Å
96V94.1Very high92Very high1 Ų159.4 Ų59.41%0.00634%0.337CS..Hα-helixtrans-66.8-41.5176.2173.40000110.8F92 L93 S94 D99 F100 K115 I118F92-V96 HydrophobicContact CD1-CG2 4.45Å; F92-V96 HydrophobicContact CD2-CG2 4.4Å; F92-V96 HydrophobicContact CE1-CG2 3.93Å; F92-V96 HydrophobicContact CE2-CG2 3.87Å; F92-V96 HydrophobicContact CZ-CG2 3.6Å; F92-V96 WeakPolarHBondContact O-CG2 3.43Å; F92-V96 PolarHBondContact O-N 3.5Å; F92-V96 VanDerWaalsContact O-N 3.08Å; L93-V96 PolarHBondContact O-N 2.86Å; L93-V96 VanDerWaalsContact O-N 3.14Å; S94-V96 VanDerWaalsContact C-N 3.31Å; S94-V96 PolarHBondContact O-N 3.33Å; V96-D99 PolarHBondContact O-N 2.88Å; V96-F100 HydrophobicContact CG1-CE1 3.95Å; V96-F100 HydrophobicContact CG1-CE2 4.08Å; V96-F100 HydrophobicContact CG1-CZ 3.6Å; V96-F100 WeakPolarHBondContact O-CD1 3.35Å; V96-F100 WeakPolarHBondContact O-CG 3.42Å; V96-F100 PolarHBondContact O-N 3.04Å; V96-K115 HydrophobicContact CG2-CD 4.13Å; V96-K115 HydrophobicContact CG2-CG 4.16Å; V96-I118 HydrophobicContact CG1-CD1 4.22Å; V96-I118 HydrophobicContact CG2-CD1 4.27Å
97L94Very high92.5Very high12 Ų1261.4 Ų61.46%0.06334%0.342CS..Hα-helixtrans-70.2-35.9-179.9-63.1-170.5000112.3I78 V79 K82 I87 L93 S94 F100I78-L97 HydrophobicContact CG2-CD1 4.24Å; V79-L97 HydrophobicContact CB-CD2 3.75Å; V79-L97 HydrophobicContact CG2-CD2 3.76Å; K82-L97 HydrophobicContact CB-CD1 4.39Å; I87-L97 HydrophobicContact CD1-CD1 3.46Å; I87-L97 VanDerWaalsContact CD1-CD1 3.46Å; L93-L97 HydrophobicContact CD1-CD1 4.47Å; L93-L97 HydrophobicContact CD1-CD2 4.2Å; L93-L97 HydrophobicContact CD1-CG 4.11Å; L93-L97 HydrophobicContact CG-CD1 4.37Å; L93-L97 HydrophobicContact CG-CG 4.35Å; L93-L97 WeakPolarHBondContact O-CG 3.45Å; L93-L97 PolarHBondContact O-N 3.03Å; S94-L97 PolarHBondContact O-N 2.85Å; S94-L97 VanDerWaalsContact O-N 3.11Å; L97-F100 HydrophobicContact CD2-CD2 3.99Å; L97-F100 HydrophobicContact CD2-CE2 4Å; L97-F100 WeakPolarHBondContact O-CB 3.39Å; L97-F100 PolarHBondContact O-N 3.27Å
98E94.5Very high92.9Very high106 Ų10661.7 Ų61.750%0.49534%0.341SS..Hα-helixtrans-61.9-43.2171.9-72160.6-143.100111S94 F100 E101S94-E98 WeakPolarHBondContact O-CG 3.47Å; S94-E98 PolarHBondContact O-N 2.97Å; S94-E98 PolarHBondContact OG-OE1 2.88Å; E98-F100 PolarHBondContact O-N 3.28Å; E98-F100 VanDerWaalsContact O-N 3.16Å; E98-E101 WeakPolarHBondContact O-CB 3.42Å; E98-E101 WeakPolarHBondContact O-CG 3.31Å; E98-E101 PolarHBondContact O-N 3.2Å; E98-E101 VanDerWaalsContact O-N 3.11Å
99D95.7Very high93.3Very high69 Ų6955.6 Ų55.637%0.36931%0.314SS..Hα-helixtrans-62.9-22.6177.5-75.6-22.3000113.3S95 V96 E101 K103 I111 K115S95-D99 VanDerWaalsContact O-CG 3.3Å; S95-D99 PolarHBondContact O-N 3.01Å; S95-D99 VanDerWaalsContact O-N 3.09Å; V96-D99 PolarHBondContact O-N 2.88Å; D99-E101 VanDerWaalsContact C-N 3.31Å; D99-K103 WeakPolarHBondContact O-CG 3.27Å; D99-I111 HydrophobicContact CB-CD1 4.15Å; D99-I111 HydrophobicContact CB-CG2 3.93Å; D99-I111 WeakPolarHBondContact O-CD1 3.37Å; D99-K115 WeakPolarHBondContact OD2-CE 3.41Å; D99-K115 IonicContact OD2-NZ 2.77Å; D99-K115 PolarHBondContact OD2-NZ 2.84Å
100F95.6Very high93.8Very high4 Ų452.6 Ų52.62%0.01830%0.301CS..THydrogen-bonded Turntrans-76.9-14.2177.6-67.4-14.3000114.2I61 V79 V96 L97 E98 N102 K103 R108 I111 V112I61-F100 HydrophobicContact CD1-CD2 4.32Å; I61-F100 HydrophobicContact CD1-CE2 3.48Å; I61-F100 VanDerWaalsContact CD1-CE2 3.48Å; I61-F100 HydrophobicContact CD1-CZ 3.81Å; I61-F100 HydrophobicContact CG1-CE2 4.08Å; I61-F100 HydrophobicContact CG1-CZ 4.29Å; V79-F100 HydrophobicContact CG2-CD2 4.25Å; V96-F100 HydrophobicContact CG1-CE1 3.95Å; V96-F100 HydrophobicContact CG1-CE2 4.08Å; V96-F100 HydrophobicContact CG1-CZ 3.6Å; V96-F100 WeakPolarHBondContact O-CD1 3.35Å; V96-F100 WeakPolarHBondContact O-CG 3.42Å; V96-F100 PolarHBondContact O-N 3.04Å; L97-F100 HydrophobicContact CD2-CD2 3.99Å; L97-F100 HydrophobicContact CD2-CE2 4Å; L97-F100 WeakPolarHBondContact O-CB 3.39Å; L97-F100 PolarHBondContact O-N 3.27Å; E98-F100 PolarHBondContact O-N 3.28Å; E98-F100 VanDerWaalsContact O-N 3.16Å; F100-N102 PolarHBondContact O-N 3.35Å; F100-K103 WeakPolarHBondContact O-CB 3.39Å; F100-K103 PolarHBondContact O-N 3.16Å; F100-R108 HydrophobicContact CB-CG 4.03Å; F100-R108 HydrophobicContact CD1-CB 3.88Å; F100-R108 HydrophobicContact CD1-CG 3.72Å; F100-R108 HydrophobicContact CE1-CB 4Å; F100-R108 HydrophobicContact CE1-CG 4.35Å; F100-R108 HydrophobicContact CG-CB 4.41Å; F100-R108 HydrophobicContact CG-CG 3.93Å; F100-R108 PolarHBondContact O-NE 3.08Å; F100-I111 HydrophobicContact CD1-CB 4.38Å; F100-I111 HydrophobicContact CD1-CD1 4.19Å; F100-I111 HydrophobicContact CD1-CG2 4.1Å; F100-I111 HydrophobicContact CE1-CB 4.07Å; F100-I111 HydrophobicContact CE1-CG2 3.76Å; F100-V112 HydrophobicContact CE1-CG2 3.96Å; F100-V112 HydrophobicContact CZ-CG2 3.62Å
101E92.7Very high94.2Very high111 Ų11150.1 Ų50.152%0.51927%0.27SS..THydrogen-bonded Turntrans-62.4133.3-178.7-66.1-167.4168.500111E98 D99 K103E98-E101 WeakPolarHBondContact O-CB 3.42Å; E98-E101 WeakPolarHBondContact O-CG 3.31Å; E98-E101 PolarHBondContact O-N 3.2Å; E98-E101 VanDerWaalsContact O-N 3.11Å; D99-E101 VanDerWaalsContact C-N 3.31Å; E101-K103 PolarHBondContact O-N 3.37Å; E101-K103 VanDerWaalsContact O-N 3.09Å
102N93.1Very high94.5Very high163 Ų16350.1 Ų50.187%0.87227%0.269SS*.THydrogen-bonded Turntrans56.822.1-178.2-51.9-56.4000114.9F100F100-N102 PolarHBondContact O-N 3.35Å
103K95.5Very high94.6Very high86 Ų8652.4 Ų52.437%0.37428%0.281SS..  trans-99.2146.5174.7-58.7-53.7-179.5-177.60112.3D99 F100 E101 E107 R108 I111D99-K103 WeakPolarHBondContact O-CG 3.27Å; F100-K103 WeakPolarHBondContact O-CB 3.39Å; F100-K103 PolarHBondContact O-N 3.16Å; E101-K103 PolarHBondContact O-N 3.37Å; E101-K103 VanDerWaalsContact O-N 3.09Å; K103-E107 HydrophobicContact CB-CB 4Å; K103-E107 HydrophobicContact CD-CB 4.31Å; K103-E107 HydrophobicContact CG-CB 4.48Å; K103-R108 HydrophobicContact CB-CG 3.71Å; K103-R108 PolarHBondContact O-NE 2.88Å; K103-R108 PolarHBondContact O-NH2 3.32Å; K103-I111 HydrophobicContact CD-CD1 4.43Å; K103-I111 HydrophobicContact CG-CD1 3.82Å
104T94.9Very high94.8Very high72 Ų7256.1 Ų56.144%0.44231%0.307SS..  trans-69.5161.2167.362.80000111A106 E107 R108T104-A106 PolarHBondContact O-N 3.11Å; T104-E107 WeakPolarHBondContact CB-OE2 3.44Å; T104-E107 WeakPolarHBondContact CG2-OE2 3.19Å; T104-E107 PolarHBondContact N-OE2 3.43Å; T104-E107 PolarHBondContact O-N 2.82Å; T104-E107 VanDerWaalsContact OG1-CG 3.27Å; T104-E107 WeakPolarHBondContact OG1-CG 3.16Å; T104-E107 PolarHBondContact OG1-N 3.44Å; T104-E107 PolarHBondContact OG1-OE2 3.5Å; T104-R108 WeakPolarHBondContact O-CG 3.43Å; T104-R108 PolarHBondContact O-N 3.3Å
105P96Very high94.8Very high37 Ų3757.7 Ų57.724%0.2431%0.312CS..Hα-helixtrans-54.8-38.7176-27.735.8000113.9L60 K62 R108 G109L60-P105 HydrophobicContact CB-CB 4.21Å; L60-P105 HydrophobicContact CB-CG 4.09Å; L60-P105 HydrophobicContact CD2-CB 4.06Å; L60-P105 HydrophobicContact CD2-CG 4.15Å; L60-P105 HydrophobicContact CG-CB 4.12Å; L60-P105 HydrophobicContact CG-CG 4.4Å; L60-P105 WeakPolarHBondContact O-CA 3.49Å; K62-P105 VanDerWaalsContact CB-O 3.23Å; K62-P105 WeakPolarHBondContact CB-O 3.43Å; K62-P105 PolarHBondContact N-O 2.82Å; P105-R108 PolarHBondContact O-N 2.95Å; P105-G109 PolarHBondContact O-N 3.45Å; P105-G109 VanDerWaalsContact O-N 3.11Å
106A95.9Very high94.7Very high54 Ų5464 Ų6445%0.44633%0.334SS..Hα-helixtrans-66.6-45.2178.200000112.1T104 R108 G109 V110T104-A106 PolarHBondContact O-N 3.11Å; A106-R108 VanDerWaalsContact C-N 3.31Å; A106-R108 PolarHBondContact O-N 2.93Å; A106-G109 WeakPolarHBondContact O-CA 3.28Å; A106-G109 PolarHBondContact O-N 2.83Å; A106-G109 VanDerWaalsContact O-N 3.1Å; A106-V110 PolarHBondContact O-N 3.02Å
107E96.6Very high94.5Very high85 Ų8568.4 Ų68.440%0.39736%0.355SS..Hα-helixtrans-62.6-38.3176.2-72.2168.2126.100112K103 T104 G109 V110 I111K103-E107 HydrophobicContact CB-CB 4Å; K103-E107 HydrophobicContact CD-CB 4.31Å; K103-E107 HydrophobicContact CG-CB 4.48Å; T104-E107 WeakPolarHBondContact CB-OE2 3.44Å; T104-E107 WeakPolarHBondContact CG2-OE2 3.19Å; T104-E107 PolarHBondContact N-OE2 3.43Å; T104-E107 PolarHBondContact O-N 2.82Å; T104-E107 VanDerWaalsContact OG1-CG 3.27Å; T104-E107 WeakPolarHBondContact OG1-CG 3.16Å; T104-E107 PolarHBondContact OG1-N 3.44Å; T104-E107 PolarHBondContact OG1-OE2 3.5Å; E107-G109 VanDerWaalsContact C-N 3.29Å; E107-G109 PolarHBondContact O-N 3.03Å; E107-V110 PolarHBondContact O-N 3Å; E107-I111 WeakPolarHBondContact O-CG1 2.9Å; E107-I111 PolarHBondContact O-N 2.85Å
108R97Very high94.3Very high34 Ų3468.3 Ų68.313%0.12835%0.354CS..Hα-helixtrans-62-37.9173.2-65.5171.4-174.6145.1-0.2111.8L60 I61 F100 K103 T104 P105 A106 I111 V112L60-R108 VanDerWaalsContact O-CD 3.27Å; L60-R108 WeakPolarHBondContact O-CD 3.28Å; L60-R108 PolarHBondContact O-NH1 2.96Å; I61-R108 HydrophobicContact CB-CB 4.38Å; I61-R108 HydrophobicContact CG1-CB 4.25Å; I61-R108 HydrophobicContact CG2-CB 4.04Å; F100-R108 HydrophobicContact CB-CG 4.03Å; F100-R108 HydrophobicContact CD1-CB 3.88Å; F100-R108 HydrophobicContact CD1-CG 3.72Å; F100-R108 HydrophobicContact CE1-CB 4Å; F100-R108 HydrophobicContact CE1-CG 4.35Å; F100-R108 HydrophobicContact CG-CB 4.41Å; F100-R108 HydrophobicContact CG-CG 3.93Å; F100-R108 PolarHBondContact O-NE 3.08Å; K103-R108 HydrophobicContact CB-CG 3.71Å; K103-R108 PolarHBondContact O-NE 2.88Å; K103-R108 PolarHBondContact O-NH2 3.32Å; T104-R108 WeakPolarHBondContact O-CG 3.43Å; T104-R108 PolarHBondContact O-N 3.3Å; P105-R108 PolarHBondContact O-N 2.95Å; A106-R108 VanDerWaalsContact C-N 3.31Å; A106-R108 PolarHBondContact O-N 2.93Å; R108-I111 PolarHBondContact O-N 2.91Å; R108-V112 WeakPolarHBondContact O-CG2 3.43Å; R108-V112 PolarHBondContact O-N 3.13Å
109G96.2Very high93.9Very high1 Ų166 Ų661%0.0135%0.349CS..Hα-helixtrans-58.7-49.5172.300000112.1K62 P105 A106 E107 I111 V112 E113K62-G109 WeakPolarHBondContact O-CA 3.33Å; P105-G109 PolarHBondContact O-N 3.45Å; P105-G109 VanDerWaalsContact O-N 3.11Å; A106-G109 WeakPolarHBondContact O-CA 3.28Å; A106-G109 PolarHBondContact O-N 2.83Å; A106-G109 VanDerWaalsContact O-N 3.1Å; E107-G109 VanDerWaalsContact C-N 3.29Å; E107-G109 PolarHBondContact O-N 3.03Å; G109-I111 VanDerWaalsContact C-N 3.3Å; G109-I111 PolarHBondContact O-N 3.11Å; G109-V112 WeakPolarHBondContact O-CB 3.49Å; G109-V112 PolarHBondContact O-N 3.23Å; G109-V112 VanDerWaalsContact O-N 3.13Å; G109-E113 WeakPolarHBondContact O-CG 3.48Å; G109-E113 PolarHBondContact O-N 3.3Å
110V96.2Very high93.5Very high84 Ų8465.2 Ų65.251%0.50935%0.353SS..Hα-helixtrans-60.9-38.4176.1176.10000112A106 E107 E113 S114A106-V110 PolarHBondContact O-N 3.02Å; E107-V110 PolarHBondContact O-N 3Å; V110-E113 WeakPolarHBondContact O-CB 3.43Å; V110-E113 PolarHBondContact O-N 2.51Å; V110-S114 PolarHBondContact O-N 3.05Å
111I96.2Very high93.1Very high24 Ų2466.4 Ų66.412%0.12336%0.359CS..Hα-helixtrans-60.3-50.9174.1-71160.2000109.6D99 F100 K103 E107 R108 G109 E113 S114 K115D99-I111 HydrophobicContact CB-CD1 4.15Å; D99-I111 HydrophobicContact CB-CG2 3.93Å; D99-I111 WeakPolarHBondContact O-CD1 3.37Å; F100-I111 HydrophobicContact CD1-CB 4.38Å; F100-I111 HydrophobicContact CD1-CD1 4.19Å; F100-I111 HydrophobicContact CD1-CG2 4.1Å; F100-I111 HydrophobicContact CE1-CB 4.07Å; F100-I111 HydrophobicContact CE1-CG2 3.76Å; K103-I111 HydrophobicContact CD-CD1 4.43Å; K103-I111 HydrophobicContact CG-CD1 3.82Å; E107-I111 WeakPolarHBondContact O-CG1 2.9Å; E107-I111 PolarHBondContact O-N 2.85Å; R108-I111 PolarHBondContact O-N 2.91Å; G109-I111 VanDerWaalsContact C-N 3.3Å; G109-I111 PolarHBondContact O-N 3.11Å; I111-E113 VanDerWaalsContact C-N 3.29Å; I111-E113 PolarHBondContact O-N 3.05Å; I111-S114 PolarHBondContact O-N 3.24Å; I111-S114 VanDerWaalsContact O-N 3.08Å; I111-S114 PolarHBondContact O-OG 3.22Å; I111-K115 HydrophobicContact CG2-CG 4.47Å; I111-K115 WeakPolarHBondContact O-CG 3.45Å; I111-K115 PolarHBondContact O-N 3.43Å
112V95.3Very high92.8Very high15 Ų1564 Ų649%0.09135%0.348CS..Hα-helixtrans-55.8-44.4178.1170.10000111.5I61 I72 L75 F100 R108 G109 S114 K115 I118I61-V112 HydrophobicContact CG2-CG2 4Å; I72-V112 HydrophobicContact CD1-CG1 4.1Å; L75-V112 HydrophobicContact CD1-CG1 4.2Å; L75-V112 HydrophobicContact CD1-CG2 3.7Å; F100-V112 HydrophobicContact CE1-CG2 3.96Å; F100-V112 HydrophobicContact CZ-CG2 3.62Å; R108-V112 WeakPolarHBondContact O-CG2 3.43Å; R108-V112 PolarHBondContact O-N 3.13Å; G109-V112 WeakPolarHBondContact O-CB 3.49Å; G109-V112 PolarHBondContact O-N 3.23Å; G109-V112 VanDerWaalsContact O-N 3.13Å; V112-S114 VanDerWaalsContact C-N 3.31Å; V112-S114 PolarHBondContact O-N 3.1Å; V112-K115 PolarHBondContact O-N 3.44Å; V112-I118 HydrophobicContact CG1-CD1 4.2Å; V112-I118 HydrophobicContact CG1-CG2 4.14Å; V112-I118 HydrophobicContact CG2-CD1 4.45Å
113E92.7Very high92.3Very high88 Ų8862.2 Ų62.241%0.41133%0.334SS..Hα-helixtrans-59.3-39.5176.4-73.8-174.8162.300113.7T64 V65 G109 V110 I111 K115T64-E113 WeakPolarHBondContact CB-OE1 3.47Å; T64-E113 WeakPolarHBondContact OG1-CG 3.28Å; T64-E113 PolarHBondContact OG1-OE1 2.9Å; V65-E113 HydrophobicContact CG2-CG 3.42Å; V65-E113 VanDerWaalsContact CG2-CG 3.42Å; V65-E113 VanDerWaalsContact CG2-OE1 3.25Å; V65-E113 WeakPolarHBondContact CG2-OE1 3.43Å; G109-E113 WeakPolarHBondContact O-CG 3.48Å; G109-E113 PolarHBondContact O-N 3.3Å; V110-E113 WeakPolarHBondContact O-CB 3.43Å; V110-E113 PolarHBondContact O-N 2.51Å; I111-E113 VanDerWaalsContact C-N 3.29Å; I111-E113 PolarHBondContact O-N 3.05Å; E113-K115 PolarHBondContact O-N 2.74Å
114S93.3Very high91.7Very high79 Ų7963.6 Ų63.655%0.55234%0.34SS*.Hα-helixtrans-69.6-20-178.476.30000113V110 I111 V112 K116V110-S114 PolarHBondContact O-N 3.05Å; I111-S114 PolarHBondContact O-N 3.24Å; I111-S114 VanDerWaalsContact O-N 3.08Å; I111-S114 PolarHBondContact O-OG 3.22Å; V112-S114 VanDerWaalsContact C-N 3.31Å; V112-S114 PolarHBondContact O-N 3.1Å; S114-K116 PolarHBondContact O-N 3.5Å
115K92.8Very high91.2Very high46 Ų4663 Ų6320%0.234%0.339CS..  trans-91.986.5-173.1-60.8-75.8-179.3176.30110.5F92 V96 D99 I111 V112 E113 E117 I118F92-K115 HydrophobicContact CE2-CB 4.25Å; F92-K115 HydrophobicContact CE2-CD 4.11Å; F92-K115 HydrophobicContact CZ-CB 3.93Å; F92-K115 HydrophobicContact CZ-CG 4.5Å; V96-K115 HydrophobicContact CG2-CD 4.13Å; V96-K115 HydrophobicContact CG2-CG 4.16Å; D99-K115 WeakPolarHBondContact OD2-CE 3.41Å; D99-K115 IonicContact OD2-NZ 2.77Å; D99-K115 PolarHBondContact OD2-NZ 2.84Å; I111-K115 HydrophobicContact CG2-CG 4.47Å; I111-K115 WeakPolarHBondContact O-CG 3.45Å; I111-K115 PolarHBondContact O-N 3.43Å; V112-K115 PolarHBondContact O-N 3.44Å; E113-K115 PolarHBondContact O-N 2.74Å; K115-E117 PolarHBondContact O-N 2.92Å; K115-I118 HydrophobicContact CB-CD1 4.02Å; K115-I118 HydrophobicContact CB-CG1 4.4Å; K115-I118 WeakPolarHBondContact O-CB 3.17Å; K115-I118 PolarHBondContact O-N 3.01Å
116K90.2Very high90.4Very high173 Ų17363.3 Ų63.375%0.75235%0.345SS*.Hα-helixtrans-52.1-26.1179.9-63.8-175.4179.4-178.40115.1S114 I118 S119 A120S114-K116 PolarHBondContact O-N 3.5Å; K116-I118 VanDerWaalsContact C-N 3.34Å; K116-S119 PolarHBondContact O-N 3.08Å; K116-S119 PolarHBondContact O-OG 2.84Å; K116-A120 WeakPolarHBondContact O-CB 3.44Å; K116-A120 PolarHBondContact O-N 3.47Å
117E90.7Very high89.4Confident93 Ų9367.3 Ų67.344%0.43536%0.358SS..Hα-helixtrans-68.6-33.1176.5-174.2171.3174.400112.1F92 K115 L121F92-E117 HydrophobicContact CD1-CB 4.48Å; F92-E117 HydrophobicContact CD1-CG 4.08Å; F92-E117 HydrophobicContact CD2-CB 4.17Å; F92-E117 HydrophobicContact CD2-CG 4.3Å; F92-E117 WeakPolarHBondContact CD2-OE2 3.43Å; F92-E117 HydrophobicContact CE1-CB 4.05Å; F92-E117 HydrophobicContact CE1-CG 4.04Å; F92-E117 HydrophobicContact CE2-CB 3.71Å; F92-E117 HydrophobicContact CE2-CG 4.26Å; F92-E117 VanDerWaalsContact CG-CD 3.44Å; F92-E117 HydrophobicContact CG-CG 4.21Å; F92-E117 VanDerWaalsContact CG-OE2 3.31Å; F92-E117 WeakPolarHBondContact CG-OE2 3.47Å; F92-E117 HydrophobicContact CZ-CB 3.64Å; F92-E117 HydrophobicContact CZ-CG 4.14Å; K115-E117 PolarHBondContact O-N 2.92Å; E117-L121 HydrophobicContact CG-CD1 4.16Å; E117-L121 VanDerWaalsContact O-CB 3.31Å; E117-L121 WeakPolarHBondContact O-CB 3.34Å; E117-L121 VanDerWaalsContact O-CG 3.24Å; E117-L121 WeakPolarHBondContact O-CG 3.45Å; E117-L121 PolarHBondContact O-N 3.17Å
118I90.1Very high88.6Confident11 Ų1168.8 Ų68.86%0.05637%0.365CS..Hα-helixtrans-64-48.1172.2-75.1166.4000110.4T71 L75 F92 V96 V112 K115 K116 L121 H122T71-I118 HydrophobicContact CG2-CG2 3.49Å; T71-I118 VanDerWaalsContact CG2-CG2 3.49Å; L75-I118 HydrophobicContact CD1-CD1 4.25Å; F92-I118 HydrophobicContact CE1-CD1 4.29Å; F92-I118 HydrophobicContact CE1-CG1 3.68Å; F92-I118 HydrophobicContact CZ-CD1 4.16Å; F92-I118 HydrophobicContact CZ-CG1 3.75Å; V96-I118 HydrophobicContact CG1-CD1 4.22Å; V96-I118 HydrophobicContact CG2-CD1 4.27Å; V112-I118 HydrophobicContact CG1-CD1 4.2Å; V112-I118 HydrophobicContact CG1-CG2 4.14Å; V112-I118 HydrophobicContact CG2-CD1 4.45Å; K115-I118 HydrophobicContact CB-CD1 4.02Å; K115-I118 HydrophobicContact CB-CG1 4.4Å; K115-I118 WeakPolarHBondContact O-CB 3.17Å; K115-I118 PolarHBondContact O-N 3.01Å; K116-I118 VanDerWaalsContact C-N 3.34Å; I118-L121 PolarHBondContact O-N 3.03Å; I118-H122 WeakPolarHBondContact O-CB 3.38Å; I118-H122 PolarHBondContact O-N 3.11Å
119S86Confident87.4Confident56 Ų5669.2 Ų69.239%0.39238%0.38SS..Hα-helixtrans-64.1-43-179.960.70000111.5K116 L121 H122 E123K116-S119 PolarHBondContact O-N 3.08Å; K116-S119 PolarHBondContact O-OG 2.84Å; S119-L121 PolarHBondContact O-N 3.1Å; S119-H122 WeakPolarHBondContact O-CB 3.39Å; S119-H122 PolarHBondContact O-N 3.01Å; S119-E123 WeakPolarHBondContact O-CG 3.5Å; S119-E123 PolarHBondContact O-N 2.98Å
120A86.8Confident86Confident53 Ų5379.2 Ų79.244%0.43843%0.426SS..Hα-helixtrans-62.6-41.2176.900000112.6K116 K124K116-A120 WeakPolarHBondContact O-CB 3.44Å; K116-A120 PolarHBondContact O-N 3.47Å; A120-K124 WeakPolarHBondContact O-CB 3.31Å; A120-K124 PolarHBondContact O-N 3.21Å
121L86.8Confident85Confident30 Ų3080.6 Ų80.616%0.15744%0.435CS..Hα-helixtrans-68.6-37.2175.9-75.3174.1000112.3K3 L4 E117 I118 S119 S125K3-L121 HydrophobicContact CB-CD1 4.46Å; K3-L121 HydrophobicContact CB-CD2 3.73Å; K3-L121 HydrophobicContact CD-CD2 3.99Å; K3-L121 HydrophobicContact CG-CD2 4.41Å; L4-L121 HydrophobicContact CD2-CD1 3.52Å; L4-L121 HydrophobicContact CG-CD1 4.13Å; E117-L121 HydrophobicContact CG-CD1 4.16Å; E117-L121 VanDerWaalsContact O-CB 3.31Å; E117-L121 WeakPolarHBondContact O-CB 3.34Å; E117-L121 VanDerWaalsContact O-CG 3.24Å; E117-L121 WeakPolarHBondContact O-CG 3.45Å; E117-L121 PolarHBondContact O-N 3.17Å; I118-L121 PolarHBondContact O-N 3.03Å; S119-L121 PolarHBondContact O-N 3.1Å; L121-S125 WeakPolarHBondContact O-CB 3.32Å; L121-S125 PolarHBondContact O-N 3.24Å; L121-S125 PolarHBondContact O-OG 3.44Å
122H86.2Confident83.7Confident60 Ų6088.4 Ų88.428%0.27847%0.471SS..Hα-helixtrans-61.9-52.5175177.982.1000111T71 I118 S119 K124 S125 A126T71-H122 PolarHBondContact OG1-ND1 2.92Å; I118-H122 WeakPolarHBondContact O-CB 3.38Å; I118-H122 PolarHBondContact O-N 3.11Å; S119-H122 WeakPolarHBondContact O-CB 3.39Å; S119-H122 PolarHBondContact O-N 3.01Å; H122-K124 VanDerWaalsContact C-N 3.33Å; H122-K124 PolarHBondContact O-N 3.2Å; H122-S125 PolarHBondContact O-N 2.82Å; H122-S125 VanDerWaalsContact O-N 3.1Å; H122-A126 PolarHBondContact O-N 2.95Å
123E83.4Confident82.4Confident126 Ų12689.7 Ų89.759%0.58948%0.483SS*.Hα-helixtrans-57.3-46.3177.9-74.5172.7-164.600111.6S119 S125 A126 L127S119-E123 WeakPolarHBondContact O-CG 3.5Å; S119-E123 PolarHBondContact O-N 2.98Å; E123-S125 VanDerWaalsContact C-N 3.31Å; E123-S125 PolarHBondContact O-N 3.02Å; E123-A126 PolarHBondContact O-N 3.03Å; E123-L127 WeakPolarHBondContact O-CG 3.27Å; E123-L127 PolarHBondContact O-N 3.09Å
124K83.6Confident81.3Confident114 Ų11490.1 Ų90.150%0.49649%0.494SS..Hα-helixtrans-61-40.8177.1-175175-179.5176.60112.2A120 H122 L127 E128A120-K124 WeakPolarHBondContact O-CB 3.31Å; A120-K124 PolarHBondContact O-N 3.21Å; H122-K124 VanDerWaalsContact C-N 3.33Å; H122-K124 PolarHBondContact O-N 3.2Å; K124-L127 PolarHBondContact O-N 2.81Å; K124-E128 WeakPolarHBondContact CE-OE1 3.25Å; K124-E128 WeakPolarHBondContact O-CG 3.42Å; K124-E128 PolarHBondContact O-N 2.85Å
125S82.6Confident80.1Confident60 Ų6091.6 Ų91.642%0.4250%0.495SS..Hα-helixtrans-71.7-34.3-179.4-53.60000111.8L121 H122 E123 L127 E128L121-S125 WeakPolarHBondContact O-CB 3.32Å; L121-S125 PolarHBondContact O-N 3.24Å; L121-S125 PolarHBondContact O-OG 3.44Å; H122-S125 PolarHBondContact O-N 2.82Å; H122-S125 VanDerWaalsContact O-N 3.1Å; E123-S125 VanDerWaalsContact C-N 3.31Å; E123-S125 PolarHBondContact O-N 3.02Å; S125-L127 PolarHBondContact O-N 2.75Å; S125-E128 PolarHBondContact O-N 3.25Å; S125-E128 VanDerWaalsContact O-N 3.13Å
126A79.6Confident78.7Confident43 Ų4393.3 Ų93.336%0.35552%0.518SS..Hα-helixtrans-62.2-33.8174.700000112H122 E123 E128 A133H122-A126 PolarHBondContact O-N 2.95Å; E123-A126 PolarHBondContact O-N 3.03Å; A126-E128 VanDerWaalsContact C-N 3.33Å; A126-A133 HydrophobicContact CB-CB 4.28Å
127L76.3Confident77.4Confident138 Ų13893.4 Ų93.472%0.72352%0.521SS*.THydrogen-bonded Turntrans-76.9-15.1176.1-64.7171.3000114.1E123 K124 S125 A133E123-L127 WeakPolarHBondContact O-CG 3.27Å; E123-L127 PolarHBondContact O-N 3.09Å; K124-L127 PolarHBondContact O-N 2.81Å; S125-L127 PolarHBondContact O-N 2.75Å; L127-A133 HydrophobicContact CD2-CB 4.21Å
128E78.8Confident76.3Confident117 Ų11790.9 Ų90.955%0.54751%0.514SS..THydrogen-bonded Turntrans-87.6-6.9179.7-73.5170.7-177.300112.6K3 K124 S125 A126K3-E128 IonicContact NZ-OE1 2.73Å; K3-E128 PolarHBondContact NZ-OE1 2.8Å; K3-E128 IonicContact NZ-OE2 3.6Å; K3-E128 PolarHBondContact NZ-OE2 3.11Å; K124-E128 WeakPolarHBondContact CE-OE1 3.25Å; K124-E128 WeakPolarHBondContact O-CG 3.42Å; K124-E128 PolarHBondContact O-N 2.85Å; S125-E128 PolarHBondContact O-N 3.25Å; S125-E128 VanDerWaalsContact O-N 3.13Å; A126-E128 VanDerWaalsContact C-N 3.33Å
129G72.6Confident75.2Confident43 Ų43100.3 Ų100.344%0.44355%0.554SS.*SBendtrans-67162.3179.200000113.9T131G129-T131 PolarHBondContact O-N 3Å
130Q66.6Low74.8Confident210 Ų210100.8 Ų100.898%0.98156%0.555SS**SBendtrans-73.7-11175.9-67.1-175.4-12.600113.6
131T74.9Confident74.7Confident113 Ų113102 Ų10269%0.69355%0.554SS**SBendtrans-111.1151177.4570000109.7G129 A133G129-T131 PolarHBondContact O-N 3Å; T131-A133 PolarHBondContact O-N 3.04Å
132E68.6Low75Confident188 Ų188102.6 Ų102.688%0.87956%0.557SS**PPolyproline II helixtrans-58.2132.1168.8-72.1-166.814900110.2P134E132-P134 WeakPolarHBondContact O-CD 3.3Å
133A69Low75.3Confident42 Ų42100 Ų10035%0.34755%0.545SS..PPolyproline II helixtrans-63.1122.7173.500000108.3A126 L127 T131A126-A133 HydrophobicContact CB-CB 4.28Å; L127-A133 HydrophobicContact CD2-CB 4.21Å; T131-A133 PolarHBondContact O-N 3.04Å
134P67.9Low75.9Confident98 Ų9896 Ų9664%0.63653%0.526SS*.PPolyproline II helixtrans-67160.4175.732.3-36.5000109.4E132 A136 S138E132-P134 WeakPolarHBondContact O-CD 3.3Å; P134-A136 PolarHBondContact O-N 3.21Å; P134-S138 WeakPolarHBondContact CB-OG 3.48Å
135N68Low76.6Confident109 Ų10990.6 Ų90.658%0.58350%0.503SS*.PPolyproline II helixtrans-54.6139.4175.2-178-36.7000109.8E137 S138N135-E137 PolarHBondContact O-N 3.25Å; N135-E137 PolarHBondContact OD1-N 2.8Å; N135-S138 WeakPolarHBondContact O-CB 3.26Å; N135-S138 PolarHBondContact O-N 3.09Å; N135-S138 PolarHBondContact O-OG 3.04Å
136A63.2Low77.3Confident83 Ų8387.7 Ų87.769%0.68648%0.483SS*.THydrogen-bonded Turntrans-54.3-25.5176.600000113.9N67 P134N67-A136 PolarHBondContact ND2-O 3.38Å; P134-A136 PolarHBondContact O-N 3.21Å
137E63.2Low78.2Confident174 Ų17485.7 Ų85.781%0.81347%0.466SS*.THydrogen-bonded Turntrans-90.2-4.7175.6-60.9-172.4172.100114N135 K139N135-E137 PolarHBondContact O-N 3.25Å; N135-E137 PolarHBondContact OD1-N 2.8Å; E137-K139 PolarHBondContact O-N 3.29Å
138S67.6Low79.3Confident40 Ų4079.1 Ų79.128%0.2843%0.431SS..SBendtrans-62.5134.6176.468.30000109.9N67 P134 N135 T140N67-S138 PolarHBondContact ND2-O 2.89Å; P134-S138 WeakPolarHBondContact CB-OG 3.48Å; N135-S138 WeakPolarHBondContact O-CB 3.26Å; N135-S138 PolarHBondContact O-N 3.09Å; N135-S138 PolarHBondContact O-OG 3.04Å; S138-T140 PolarHBondContact O-N 3.36Å
139K68.2Low80.2Confident209 Ų20976 Ų7691%0.90942%0.417SS*.  trans-76.7107.4171.8-69.8-175.3179.5-178.90107.9E137E137-K139 PolarHBondContact O-N 3.29Å
140T77.5Confident81.3Confident67 Ų6776 Ų7641%0.41141%0.405SS..  trans-90.9140.2161.1-175.50000109.2N67 S138 L142N67-T140 VanDerWaalsContact OD1-CG2 3.24Å; N67-T140 WeakPolarHBondContact OD1-CG2 3.4Å; S138-T140 PolarHBondContact O-N 3.36Å; T140-L142 PolarHBondContact OG1-N 2.99Å
141N85.3Confident82.7Confident77 Ų7775.9 Ų75.941%0.41240%0.397SS..  trans-89.1-7.3166.562.7-36.9000111.5P39 L40P39-N141 CarbonylContact C-O 3.58Å; P39-N141 WeakPolarHBondContact CA-O 3.41Å; L40-N141 WeakPolarHBondContact CB-O 3.49Å; L40-N141 PolarHBondContact N-O 3.09Å
142L91.4Very high83.7Confident43 Ų4372 Ų7223%0.22538%0.38CS..EExtended strand (participates in β ladder)trans-85.2143.3-178.3-54.2-179.4000111.7L37 Y38 P39 T140 E195L37-L142 HydrophobicContact CD1-CB 3.91Å; L37-L142 HydrophobicContact CD2-CB 4.36Å; L37-L142 HydrophobicContact CD2-CD1 4.09Å; L37-L142 HydrophobicContact CG-CB 4.16Å; Y38-L142 CarbonylContact O-C 3.51Å; Y38-L142 WeakPolarHBondContact O-CA 3.34Å; P39-L142 HydrophobicContact CB-CD2 3.92Å; T140-L142 PolarHBondContact OG1-N 2.99Å; L142-E195 HydrophobicContact CD2-CB 3.86Å
143H93.6Very high85.1Confident5 Ų564.3 Ų64.32%0.02335%0.346CS..EExtended strand (participates in β ladder)trans-142.7136.1-174.8-175.257.1000113.3L37 Y38 L40 C69 D158L37-H143 WeakPolarHBondContact CA-O 3.33Å; Y38-H143 PolarHBondContact N-O 2.8Å; Y38-H143 VanDerWaalsContact N-O 3.08Å; Y38-H143 PolarHBondContact O-N 2.97Å; L40-H143 HydrophobicContact CD1-CB 3.52Å; L40-H143 HydrophobicContact CD2-CB 3.61Å; L40-H143 HydrophobicContact CG-CB 3.38Å; C69-H143 WeakPolarHBondContact CB-ND1 3.43Å; H143-D158 IonicContact CD2-OD1 3.48Å; H143-D158 IonicContact CE1-OD1 2.66Å; H143-D158 PolarHBondContact CE1-OD1 2.81Å; H143-D158 IonicContact NE2-OD1 3.87Å; H143-D158 PolarHBondContact NE2-OD1 2.72Å; H143-D158 IonicContact NE2-OD2 3.5Å
144F95.8Very high86.5Confident43 Ų4362.5 Ų62.519%0.18933%0.331CS..EExtended strand (participates in β ladder)trans-92.3134.7175.1-81.6-74.1000111.2L35 F36 L37 C69 A73 M199L35-F144 HydrophobicContact CB-CD1 4.44Å; F36-F144 CarbonylContact O-C 3.58Å; F36-F144 VanDerWaalsContact O-CA 3.31Å; F36-F144 WeakPolarHBondContact O-CA 3.17Å; L37-F144 HydrophobicContact CB-CD1 3.87Å; L37-F144 HydrophobicContact CB-CE1 3.59Å; L37-F144 HydrophobicContact CB-CG 4.46Å; L37-F144 HydrophobicContact CB-CZ 3.96Å; L37-F144 HydrophobicContact CD1-CD1 3.99Å; L37-F144 HydrophobicContact CD1-CD2 3.47Å; L37-F144 VanDerWaalsContact CD1-CD2 3.47Å; L37-F144 HydrophobicContact CD1-CE1 4.03Å; L37-F144 HydrophobicContact CD1-CE2 3.51Å; L37-F144 HydrophobicContact CD1-CG 3.73Å; L37-F144 HydrophobicContact CD1-CZ 3.78Å; L37-F144 HydrophobicContact CD2-CE2 4.45Å; L37-F144 HydrophobicContact CD2-CZ 4.16Å; L37-F144 HydrophobicContact CG-CE1 4.29Å; L37-F144 HydrophobicContact CG-CE2 4.39Å; L37-F144 HydrophobicContact CG-CZ 4.19Å; C69-F144 HydrophobicContact CB-CB 4.24Å; A73-F144 HydrophobicContact CB-CB 3.86Å; F144-M199 HydrophobicContact CE1-CE 3.75Å; F144-M199 HydrophobicContact CZ-CE 4.09Å
145V97.3Very high87.9Confident0 Ų057.9 Ų57.90%030%0.301CS..EExtended strand (participates in β ladder)trans-123.1158.5163.8-61.80000110.1L35 F36 Y38 F147 E156 D158L35-V145 WeakPolarHBondContact CA-O 3.44Å; F36-V145 HydrophobicContact CB-CG2 4.03Å; F36-V145 HydrophobicContact CD1-CG2 4.1Å; F36-V145 PolarHBondContact N-O 3.21Å; F36-V145 PolarHBondContact O-N 3.31Å; Y38-V145 HydrophobicContact CD1-CG2 4.44Å; Y38-V145 HydrophobicContact CE1-CB 4.42Å; Y38-V145 HydrophobicContact CE1-CG1 3.76Å; Y38-V145 HydrophobicContact CE1-CG2 3.83Å; V145-F147 HydrophobicContact CG2-CE2 3.9Å; V145-F147 HydrophobicContact CG2-CZ 4.22Å; V145-E156 HydrophobicContact CB-CG 4.29Å; V145-E156 HydrophobicContact CG2-CG 4.4Å; V145-D158 HydrophobicContact CG1-CB 3.77Å
146C98.6Very high89.4Confident0 Ų052.8 Ų52.80%027%0.274CS..EExtended strand (participates in β ladder)trans-114.2131176.6-177.60000110.6L34 L35 A73 H76 E156 L157L34-C146 CarbonylContact O-C 3.55Å; L34-C146 VanDerWaalsContact O-CA 3.3Å; L34-C146 WeakPolarHBondContact O-CA 3.37Å; L35-C146 HydrophobicContact CD2-CB 4.4Å; A73-C146 HydrophobicContact CB-CB 4.24Å; H76-C146 HydrophobicContact CB-CB 3.75Å; C146-E156 CarbonylContact O-C 3.55Å; C146-E156 WeakPolarHBondContact O-CA 3.03Å; C146-L157 HydrophobicContact CB-CB 4.35Å; C146-L157 PolarHBondContact N-O 3.05Å; C146-L157 PolarHBondContact O-N 2.73Å
147F98.7Very high91Very high0 Ų048.8 Ų48.80%024%0.241CC..EExtended strand (participates in β ladder)trans-100.1135.4167.7-63.1-84.1000110.2S33 L34 F36 V145 L154 Y155 E156 F175 A179 V182 V183 F186S33-F147 CarbonylContact C-O 3.57Å; S33-F147 WeakPolarHBondContact CA-O 3.22Å; S33-F147 WeakPolarHBondContact CB-O 3.18Å; L34-F147 HydrophobicContact CB-CB 4.23Å; L34-F147 HydrophobicContact CB-CD2 4.29Å; L34-F147 PolarHBondContact N-O 2.79Å; L34-F147 PolarHBondContact O-N 2.97Å; F36-F147 HydrophobicContact CB-CD2 4.32Å; F36-F147 HydrophobicContact CB-CE2 3.81Å; F36-F147 HydrophobicContact CD1-CE2 4.13Å; F36-F147 HydrophobicContact CG-CE2 4.34Å; V145-F147 HydrophobicContact CG2-CE2 3.9Å; V145-F147 HydrophobicContact CG2-CZ 4.22Å; F147-L154 HydrophobicContact CB-CD1 4.27Å; F147-L154 HydrophobicContact CD1-CD1 4.46Å; F147-Y155 CarbonylContact C-O 3.59Å; F147-Y155 VanDerWaalsContact CA-O 3.25Å; F147-Y155 WeakPolarHBondContact CA-O 3.47Å; F147-E156 HydrophobicContact CD1-CB 3.85Å; F147-E156 HydrophobicContact CD1-CG 4.48Å; F147-E156 HydrophobicContact CE1-CB 3.58Å; F147-E156 HydrophobicContact CE1-CG 3.94Å; F147-E156 HydrophobicContact CZ-CB 4.4Å; F147-E156 HydrophobicContact CZ-CG 4.28Å; F147-F175 HydrophobicContact CB-CZ 4.28Å; F147-F175 WeakPolarHBondContact O-CZ 3.45Å; F147-A179 HydrophobicContact CB-CB 4.28Å; F147-V182 HydrophobicContact CE1-CB 4.25Å; F147-V182 HydrophobicContact CE1-CG1 3.55Å; F147-V182 HydrophobicContact CZ-CG1 3.87Å; F147-V183 HydrophobicContact CD2-CG2 4.47Å; F147-V183 HydrophobicContact CE2-CG2 3.88Å; F147-V183 HydrophobicContact CZ-CG2 4.42Å; F147-F186 HydrophobicContact CZ-CE2 4.09Å
148V98.4Very high92.6Very high0 Ų040.7 Ų40.70%020%0.203CC..EExtended strand (participates in β ladder)trans-139.8154.9177-62.80000111.2V58 N80 Y155 L157V58-V148 HydrophobicContact CG1-CG2 4.5Å; N80-V148 HydrophobicContact CB-CB 4.37Å; N80-V148 HydrophobicContact CB-CG1 4.15Å; N80-V148 HydrophobicContact CB-CG2 4.18Å; V148-Y155 PolarHBondContact N-O 3.44Å; V148-Y155 PolarHBondContact O-N 3.49Å; V148-L157 HydrophobicContact CG1-CD1 4.32Å; V148-L157 HydrophobicContact CG2-CD1 3.68Å; V148-L157 HydrophobicContact CG2-CG 4.23Å
149E97.6Very high93.9Very high52 Ų5238.9 Ų38.924%0.24319%0.191CC..EExtended strand (participates in β ladder)trans-95.3138.1168.2177.5-83.5139.300110K84 Y151 G152 S153 I170 F175K84-E149 IonicContact NZ-OE2 2.78Å; E149-Y151 PolarHBondContact OE1-N 3.12Å; E149-G152 PolarHBondContact OE1-N 3.01Å; E149-S153 CarbonylContact C-O 3.58Å; E149-S153 WeakPolarHBondContact CA-O 3.43Å; E149-I170 HydrophobicContact CB-CD1 4.43Å; E149-I170 HydrophobicContact CB-CG1 4.33Å; E149-I170 HydrophobicContact CG-CD1 4.3Å; E149-I170 HydrophobicContact CG-CG1 3.68Å; E149-F175 HydrophobicContact CB-CD2 3.75Å; E149-F175 HydrophobicContact CB-CE2 4.28Å; E149-F175 HydrophobicContact CB-CG 4.42Å
150H96.6Very high95.1Very high43 Ų4334.1 Ų34.120%0.19917%0.167CC..EExtended strand (participates in β ladder)trans-144.4115.8170.4-174.785.1000111K57 V58 G152 S153 Y155K57-H150 PolarHBondContact O-CD2 3.25Å; K57-H150 PolarHBondContact O-CE1 2.77Å; K57-H150 PolarHBondContact O-NE2 2.77Å; V58-H150 HydrophobicContact CG1-CB 3.5Å; V58-H150 VanDerWaalsContact CG1-CB 3.5Å; H150-G152 VanDerWaalsContact C-N 3.33Å; H150-G152 PolarHBondContact O-N 2.89Å; H150-S153 PolarHBondContact N-O 3.27Å; H150-S153 WeakPolarHBondContact O-CB 3.4Å; H150-S153 PolarHBondContact O-N 2.71Å; H150-S153 VanDerWaalsContact O-N 3.1Å; H150-Y155 HydrophobicContact CB-CD2 4.04Å; H150-Y155 HydrophobicContact CB-CE2 3.97Å
151Y94.8Very high95.9Very high208 Ų20833.7 Ų33.782%0.81616%0.16SC*.THydrogen-bonded Turntrans4751.5-175.5-67.6-62.5000113.4E149 S153E149-Y151 PolarHBondContact OE1-N 3.12Å; Y151-S153 VanDerWaalsContact C-N 3.25Å; Y151-S153 PolarHBondContact O-N 2.97Å
152G96.5Very high96.2Very high32 Ų3235.9 Ų35.933%0.3317%0.171SC..THydrogen-bonded Turntrans72.314.4177.900000114.1E149 H150 S169 I170E149-G152 PolarHBondContact OE1-N 3.01Å; H150-G152 VanDerWaalsContact C-N 3.33Å; H150-G152 PolarHBondContact O-N 2.89Å; G152-S169 CarbonylContact O-C 3.5Å; G152-S169 VanDerWaalsContact O-CA 3.26Å; G152-S169 WeakPolarHBondContact O-CA 3.49Å; G152-I170 PolarHBondContact O-N 3.27Å
153S97.6Very high96.3Very high25 Ų2533.9 Ų33.918%0.17516%0.161CC..EExtended strand (participates in β ladder)trans-116.8139.2176.9-59.30000111.3E149 H150 Y151 G168E149-S153 CarbonylContact C-O 3.58Å; E149-S153 WeakPolarHBondContact CA-O 3.43Å; H150-S153 PolarHBondContact N-O 3.27Å; H150-S153 WeakPolarHBondContact O-CB 3.4Å; H150-S153 PolarHBondContact O-N 2.71Å; H150-S153 VanDerWaalsContact O-N 3.1Å; Y151-S153 VanDerWaalsContact C-N 3.25Å; Y151-S153 PolarHBondContact O-N 2.97Å; S153-G168 WeakPolarHBondContact CA-O 3.35Å
154L98.2Very high96.5Very high5 Ų534.1 Ų34.13%0.02616%0.163CC..EExtended strand (participates in β ladder)trans-89.9121.3177.5-179.658.3000110.4F147 H167 G168 I170 F175 D178 A179 V182F147-L154 HydrophobicContact CB-CD1 4.27Å; F147-L154 HydrophobicContact CD1-CD1 4.46Å; L154-H167 HydrophobicContact CB-CB 4.26Å; L154-H167 HydrophobicContact CD2-CB 3.96Å; L154-H167 HydrophobicContact CG-CB 4.01Å; L154-H167 PolarHBondContact O-N 3.1Å; L154-G168 PolarHBondContact N-O 2.94Å; L154-I170 HydrophobicContact CB-CD1 3.72Å; L154-I170 HydrophobicContact CD1-CD1 4.28Å; L154-I170 HydrophobicContact CG-CD1 4.46Å; L154-F175 HydrophobicContact CD1-CD2 4Å; L154-F175 HydrophobicContact CD1-CE2 3.6Å; L154-D178 HydrophobicContact CD2-CB 4.3Å; L154-A179 HydrophobicContact CD1-CB 4.02Å; L154-A179 HydrophobicContact CD2-CB 4.38Å; L154-V182 HydrophobicContact CD2-CG2 3.56Å
155Y98.4Very high96.6Very high1 Ų132.6 Ų32.60%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-116.1140.9175.7-67.1-87.5000111.5D53 K57 V58 F147 V148 H150 P164 I165 L166D53-Y155 HydrophobicContact CB-CE1 4.03Å; D53-Y155 PolarHBondContact OD2-OH 3.31Å; K57-Y155 WeakPolarHBondContact CD-OH 3.27Å; V58-Y155 HydrophobicContact CG1-CD2 3.64Å; V58-Y155 HydrophobicContact CG1-CE2 4Å; V58-Y155 HydrophobicContact CG1-CG 3.95Å; V58-Y155 HydrophobicContact CG2-CD1 4.05Å; V58-Y155 HydrophobicContact CG2-CG 4.07Å; F147-Y155 CarbonylContact C-O 3.59Å; F147-Y155 VanDerWaalsContact CA-O 3.25Å; F147-Y155 WeakPolarHBondContact CA-O 3.47Å; V148-Y155 PolarHBondContact N-O 3.44Å; V148-Y155 PolarHBondContact O-N 3.49Å; H150-Y155 HydrophobicContact CB-CD2 4.04Å; H150-Y155 HydrophobicContact CB-CE2 3.97Å; Y155-P164 HydrophobicContact CD1-CB 4.02Å; Y155-I165 CarbonylContact C-O 3.59Å; Y155-I165 WeakPolarHBondContact CA-O 3.32Å; Y155-L166 HydrophobicContact CD1-CB 4.27Å; Y155-L166 HydrophobicContact CD1-CD1 4.34Å; Y155-L166 HydrophobicContact CE1-CB 3.97Å; Y155-L166 HydrophobicContact CE1-CD1 3.85Å; Y155-L166 HydrophobicContact CE1-CG 4.43Å; Y155-L166 HydrophobicContact CE2-CD1 4.35Å
156E98Very high96.6Very high1 Ų134.9 Ų34.91%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-98131.8161.2171.8-159.4145.100108.8V145 C146 F147 K161 I165 H167 F186V145-E156 HydrophobicContact CB-CG 4.29Å; V145-E156 HydrophobicContact CG2-CG 4.4Å; C146-E156 CarbonylContact O-C 3.55Å; C146-E156 WeakPolarHBondContact O-CA 3.03Å; F147-E156 HydrophobicContact CD1-CB 3.85Å; F147-E156 HydrophobicContact CD1-CG 4.48Å; F147-E156 HydrophobicContact CE1-CB 3.58Å; F147-E156 HydrophobicContact CE1-CG 3.94Å; F147-E156 HydrophobicContact CZ-CB 4.4Å; F147-E156 HydrophobicContact CZ-CG 4.28Å; E156-K161 IonicContact OE1-NZ 3.52Å; E156-K161 PolarHBondContact OE1-NZ 3.26Å; E156-I165 HydrophobicContact CB-CB 4.13Å; E156-I165 PolarHBondContact N-O 2.99Å; E156-I165 PolarHBondContact O-N 3.08Å; E156-H167 WeakPolarHBondContact CB-NE2 3.42Å; E156-H167 IonicContact OE2-CD2 3.93Å; E156-H167 IonicContact OE2-CE1 2.97Å; E156-H167 IonicContact OE2-NE2 2.99Å; E156-H167 PolarHBondContact OE2-NE2 2.89Å; E156-F186 WeakPolarHBondContact OE2-CZ 3.48Å
157L98Very high96.5Very high0 Ų036.2 Ų36.20%018%0.175CC..EExtended strand (participates in β ladder)trans-115.3111.6177.9-57.6174.6000108.2V58 L60 H76 N80 C146 V148 P164V58-L157 HydrophobicContact CB-CD2 4.29Å; V58-L157 HydrophobicContact CG2-CD2 3.7Å; L60-L157 HydrophobicContact CD1-CB 4.27Å; L60-L157 HydrophobicContact CD1-CD2 4.14Å; H76-L157 HydrophobicContact CB-CB 4.14Å; H76-L157 HydrophobicContact CB-CD1 3.74Å; H76-L157 VanDerWaalsContact ND1-CB 3.32Å; H76-L157 WeakPolarHBondContact ND1-CB 3.42Å; N80-L157 VanDerWaalsContact ND2-CD1 3.26Å; N80-L157 WeakPolarHBondContact ND2-CD1 3.41Å; C146-L157 HydrophobicContact CB-CB 4.35Å; C146-L157 PolarHBondContact N-O 3.05Å; C146-L157 PolarHBondContact O-N 2.73Å; V148-L157 HydrophobicContact CG1-CD1 4.32Å; V148-L157 HydrophobicContact CG2-CD1 3.68Å; V148-L157 HydrophobicContact CG2-CG 4.23Å; L157-P164 HydrophobicContact CD2-CB 3.91Å; L157-P164 HydrophobicContact CD2-CG 4.11Å
158D96Very high96.4Very high3 Ų337.7 Ų37.72%0.01619%0.19CC..  trans-121.6117.2178.7179.8-7.9000108.9H143 V145 R160 K161H143-D158 IonicContact CD2-OD1 3.48Å; H143-D158 IonicContact CE1-OD1 2.66Å; H143-D158 PolarHBondContact CE1-OD1 2.81Å; H143-D158 IonicContact NE2-OD1 3.87Å; H143-D158 PolarHBondContact NE2-OD1 2.72Å; H143-D158 IonicContact NE2-OD2 3.5Å; V145-D158 HydrophobicContact CG1-CB 3.77Å; D158-R160 PolarHBondContact O-N 2.93Å; D158-R160 VanDerWaalsContact O-N 3.12Å; D158-R160 VanDerWaalsContact OD1-CB 3.3Å; D158-R160 WeakPolarHBondContact OD1-CB 3.4Å; D158-R160 PolarHBondContact OD1-N 2.82Å; D158-K161 HydrophobicContact CB-CB 4.26Å; D158-K161 HydrophobicContact CB-CD 3.89Å; D158-K161 HydrophobicContact CB-CG 3.86Å; D158-K161 PolarHBondContact O-N 2.87Å; D158-K161 WeakPolarHBondContact OD2-CE 3.3Å
159G95.7Very high96.4Very high2 Ų242 Ų422%0.02122%0.22CC..THydrogen-bonded Turntrans-60.8-19.6178.400000114.3I61 K62 Q63I61-G159 WeakPolarHBondContact O-CA 3.42Å; K62-G159 WeakPolarHBondContact CD-O 3.26Å; K62-G159 WeakPolarHBondContact CE-O 3.41Å; Q63-G159 PolarHBondContact N-O 3.31Å
160R93.6Very high96.4Very high109 Ų10941.5 Ų41.541%0.41122%0.219SC..THydrogen-bonded Turntrans-77.2-22.4174.5-61.8177.968.5-137.9-2.2112.4E45 K62 D158E45-R160 IonicContact OE1-CZ 2.56Å; E45-R160 IonicContact OE1-NH1 2.65Å; E45-R160 PolarHBondContact OE1-NH1 2.94Å; E45-R160 IonicContact OE1-NH2 3.93Å; E45-R160 PolarHBondContact OE1-NH2 3.48Å; K62-R160 VanDerWaalsContact NZ-C 3.29Å; K62-R160 PolarHBondContact NZ-O 2.66Å; D158-R160 PolarHBondContact O-N 2.93Å; D158-R160 VanDerWaalsContact O-N 3.12Å; D158-R160 VanDerWaalsContact OD1-CB 3.3Å; D158-R160 WeakPolarHBondContact OD1-CB 3.4Å; D158-R160 PolarHBondContact OD1-N 2.82Å
161K93Very high96.4Very high59 Ų5943 Ų4326%0.25723%0.231SC..SBendtrans-89161.7-176.9-63-175.4-174.4172.80112.2K62 E156 D158 I165K62-K161 WeakPolarHBondContact CD-O 3.49Å; K62-K161 PolarHBondContact NZ-O 2.83Å; E156-K161 IonicContact OE1-NZ 3.52Å; E156-K161 PolarHBondContact OE1-NZ 3.26Å; D158-K161 HydrophobicContact CB-CB 4.26Å; D158-K161 HydrophobicContact CB-CD 3.89Å; D158-K161 HydrophobicContact CB-CG 3.86Å; D158-K161 PolarHBondContact O-N 2.87Å; D158-K161 WeakPolarHBondContact OD2-CE 3.3Å; K161-I165 HydrophobicContact CD-CD1 3.88Å; K161-I165 HydrophobicContact CD-CG1 3.67Å
162N91.8Very high96.5Very high122 Ų12239.6 Ų39.665%0.65224%0.237SC*.SBendtrans-92.2-19.8179.8-67.2-29.4000112.4K62K62-N162 PolarHBondContact NZ-OD1 3.41Å
163A95Very high96.4Very high1 Ų139.8 Ų39.81%0.00824%0.236CC..SBendtrans-135150.317900000110.4E52 N54E52-A163 HydrophobicContact CB-CB 4.02Å; E52-A163 HydrophobicContact CG-CB 4.28Å; N54-A163 WeakPolarHBondContact OD1-CB 3.23Å
164P97.2Very high96.3Very high11 Ų1140 Ų407%0.07124%0.242CC..  trans-53.7149.7161.5-22.131.7000111.6E52 D53 V58 L60 Y155 L157E52-P164 WeakPolarHBondContact CA-O 3.41Å; D53-P164 PolarHBondContact N-O 3.2Å; D53-P164 WeakPolarHBondContact O-CD 3.39Å; V58-P164 HydrophobicContact CG2-CB 3.51Å; V58-P164 HydrophobicContact CG2-CG 3.35Å; L60-P164 HydrophobicContact CB-CG 4.14Å; Y155-P164 HydrophobicContact CD1-CB 4.02Å; L157-P164 HydrophobicContact CD2-CB 3.91Å; L157-P164 HydrophobicContact CD2-CG 4.11Å
165I97Very high96.3Very high11 Ų1140.7 Ų40.76%0.05625%0.245CC..EExtended strand (participates in β ladder)trans-106.9116.9174.9-51.9-60.7000109.2V51 E52 Y155 E156 K161V51-I165 CarbonylContact O-C 3.59Å; E52-I165 HydrophobicContact CB-CD1 4.38Å; E52-I165 HydrophobicContact CG-CD1 3.56Å; Y155-I165 CarbonylContact C-O 3.59Å; Y155-I165 WeakPolarHBondContact CA-O 3.32Å; E156-I165 HydrophobicContact CB-CB 4.13Å; E156-I165 PolarHBondContact N-O 2.99Å; E156-I165 PolarHBondContact O-N 3.08Å; K161-I165 HydrophobicContact CD-CD1 3.88Å; K161-I165 HydrophobicContact CD-CG1 3.67Å
166L97.6Very high96.2Very high47 Ų4741.1 Ų41.125%0.24625%0.247CC..EExtended strand (participates in β ladder)trans-80.3123.8174176.663000109.9G50 V51 D53 Y155G50-L166 WeakPolarHBondContact CA-O 3.39Å; V51-L166 PolarHBondContact N-O 3.46Å; V51-L166 PolarHBondContact O-N 2.96Å; D53-L166 HydrophobicContact CB-CB 4.2Å; Y155-L166 HydrophobicContact CD1-CB 4.27Å; Y155-L166 HydrophobicContact CD1-CD1 4.34Å; Y155-L166 HydrophobicContact CE1-CB 3.97Å; Y155-L166 HydrophobicContact CE1-CD1 3.85Å; Y155-L166 HydrophobicContact CE1-CG 4.43Å; Y155-L166 HydrophobicContact CE2-CD1 4.35Å
167H97.5Very high96.2Very high28 Ų2844.8 Ų44.813%0.1326%0.261CS..EExtended strand (participates in β ladder)trans-101.1-3.4178.2-77.6-80.4000113.9L49 L154 E156 V182L49-H167 PolarHBondContact O-ND1 3.13Å; L154-H167 HydrophobicContact CB-CB 4.26Å; L154-H167 HydrophobicContact CD2-CB 3.96Å; L154-H167 HydrophobicContact CG-CB 4.01Å; L154-H167 PolarHBondContact O-N 3.1Å; E156-H167 WeakPolarHBondContact CB-NE2 3.42Å; E156-H167 IonicContact OE2-CD2 3.93Å; E156-H167 IonicContact OE2-CE1 2.97Å; E156-H167 IonicContact OE2-NE2 2.99Å; E156-H167 PolarHBondContact OE2-NE2 2.89Å; H167-V182 HydrophobicContact CB-CG2 3.76Å; H167-V182 WeakPolarHBondContact CE1-CG1 3.48Å; H167-V182 WeakPolarHBondContact ND1-CG1 3.36Å
168G96.2Very high96.2Very high31 Ų3145.6 Ų45.632%0.3227%0.265SS..EExtended strand (participates in β ladder)trans119.4-167.3179.200000112.7S153 L154S153-G168 WeakPolarHBondContact CA-O 3.35Å; L154-G168 PolarHBondContact N-O 2.94Å
169S97.4Very high96.3Very high91 Ų9145.5 Ų45.564%0.63626%0.264SS*.EExtended strand (participates in β ladder)trans-85.4145.9178.3-58.80000111.8G152 T171G152-S169 CarbonylContact O-C 3.5Å; G152-S169 VanDerWaalsContact O-CA 3.26Å; G152-S169 WeakPolarHBondContact O-CA 3.49Å; S169-T171 PolarHBondContact O-N 3.38Å
170I98Very high96.4Very high41 Ų4145.4 Ų45.421%0.2126%0.263CS..  trans-65.4128.8167.9-56.2-63.1000108.4E149 G152 L154 F175 D178E149-I170 HydrophobicContact CB-CD1 4.43Å; E149-I170 HydrophobicContact CB-CG1 4.33Å; E149-I170 HydrophobicContact CG-CD1 4.3Å; E149-I170 HydrophobicContact CG-CG1 3.68Å; G152-I170 PolarHBondContact O-N 3.27Å; L154-I170 HydrophobicContact CB-CD1 3.72Å; L154-I170 HydrophobicContact CD1-CD1 4.28Å; L154-I170 HydrophobicContact CG-CD1 4.46Å; I170-F175 HydrophobicContact CD1-CB 4.45Å; I170-F175 HydrophobicContact CD1-CD2 4.03Å; I170-D178 WeakPolarHBondContact CA-OD2 3.33Å; I170-D178 HydrophobicContact CD1-CB 4.36Å; I170-D178 WeakPolarHBondContact CG2-OD2 3.39Å
171T97.5Very high96.5Very high75 Ų7543.6 Ų43.646%0.4626%0.262SS..  trans-88.6176.7179.6750000110.7S169 A173 G174 D178S169-T171 PolarHBondContact O-N 3.38Å; T171-A173 PolarHBondContact O-N 2.91Å; T171-A173 VanDerWaalsContact O-N 3.13Å; T171-A173 VanDerWaalsContact OG1-CB 3.28Å; T171-A173 WeakPolarHBondContact OG1-CB 3.5Å; T171-A173 PolarHBondContact OG1-N 3.32Å; T171-A173 VanDerWaalsContact OG1-N 3.14Å; T171-G174 PolarHBondContact O-N 2.89Å; T171-G174 VanDerWaalsContact O-N 3.17Å; T171-D178 WeakPolarHBondContact CG2-OD1 3.43Å; T171-D178 PolarHBondContact N-OD2 3.1Å; T171-D178 PolarHBondContact OG1-OD1 3.13Å; T171-D178 PolarHBondContact OG1-OD2 3.34Å
172S96.1Very high96.8Very high136 Ų13641 Ų4195%0.95125%0.251SS*.THydrogen-bonded Turntrans-63.9-12.117257.90000113.6G174S172-G174 PolarHBondContact O-N 2.89Å
173A94.2Very high97Very high37 Ų3735.3 Ų35.331%0.30622%0.221SC..THydrogen-bonded Turntrans-72-20.8175.900000112.7T171 R177T171-A173 PolarHBondContact O-N 2.91Å; T171-A173 VanDerWaalsContact O-N 3.13Å; T171-A173 VanDerWaalsContact OG1-CB 3.28Å; T171-A173 WeakPolarHBondContact OG1-CB 3.5Å; T171-A173 PolarHBondContact OG1-N 3.32Å; T171-A173 VanDerWaalsContact OG1-N 3.14Å; A173-R177 HydrophobicContact CB-CB 4.02Å; A173-R177 WeakPolarHBondContact O-CD 3.36Å; A173-R177 PolarHBondContact O-NH1 2.71Å; A173-R177 VanDerWaalsContact O-NH1 3.09Å
174G95.7Very high97.1Very high28 Ų2838.3 Ų38.329%0.28923%0.234SC..  trans92.8163.3177.600000114T171 S172 L176 R177 D178T171-G174 PolarHBondContact O-N 2.89Å; T171-G174 VanDerWaalsContact O-N 3.17Å; S172-G174 PolarHBondContact O-N 2.89Å; G174-L176 PolarHBondContact O-N 3.44Å; G174-R177 PolarHBondContact O-N 3.26Å; G174-D178 PolarHBondContact O-N 2.79Å; G174-D178 VanDerWaalsContact O-N 3.13Å
175F97.5Very high97Very high21 Ų2142.5 Ų42.59%0.09225%0.251CS..Hα-helixtrans-52.9-47.7-173.8167.8-100.2000113.7V31 L34 F147 E149 L154 I170 R177 D178 A179V31-F175 HydrophobicContact CB-CD1 4.39Å; V31-F175 HydrophobicContact CG1-CD1 4.32Å; V31-F175 HydrophobicContact CG1-CE1 4.13Å; V31-F175 VanDerWaalsContact O-CD1 3.28Å; V31-F175 WeakPolarHBondContact O-CD1 3.45Å; L34-F175 HydrophobicContact CG-CE1 4.04Å; L34-F175 HydrophobicContact CG-CZ 4.24Å; F147-F175 HydrophobicContact CB-CZ 4.28Å; F147-F175 WeakPolarHBondContact O-CZ 3.45Å; E149-F175 HydrophobicContact CB-CD2 3.75Å; E149-F175 HydrophobicContact CB-CE2 4.28Å; E149-F175 HydrophobicContact CB-CG 4.42Å; L154-F175 HydrophobicContact CD1-CD2 4Å; L154-F175 HydrophobicContact CD1-CE2 3.6Å; I170-F175 HydrophobicContact CD1-CB 4.45Å; I170-F175 HydrophobicContact CD1-CD2 4.03Å; F175-R177 VanDerWaalsContact C-N 3.35Å; F175-R177 PolarHBondContact O-N 3.5Å; F175-D178 PolarHBondContact O-N 3Å; F175-A179 HydrophobicContact CE2-CB 4.14Å; F175-A179 HydrophobicContact CZ-CB 4.15Å; F175-A179 VanDerWaalsContact O-CB 3.26Å; F175-A179 WeakPolarHBondContact O-CB 3.43Å; F175-A179 PolarHBondContact O-N 3.1Å
176L97.6Very high96.9Very high9 Ų942.1 Ų42.15%0.04725%0.249CC..Hα-helixtrans-56.5-49.3-177.2175.160.8000111.4I16 L24 V27 V31 L34 G174 C180I16-L176 HydrophobicContact CD1-CD1 3.76Å; L24-L176 HydrophobicContact CB-CD2 4.37Å; L24-L176 HydrophobicContact CD2-CD1 4.26Å; L24-L176 HydrophobicContact CD2-CD2 4.32Å; L24-L176 HydrophobicContact CD2-CG 4.29Å; V27-L176 HydrophobicContact CB-CD2 3.87Å; V27-L176 HydrophobicContact CG1-CD2 4.06Å; V27-L176 HydrophobicContact CG2-CD2 4.29Å; V31-L176 HydrophobicContact CB-CB 4.38Å; V31-L176 HydrophobicContact CG1-CD1 4.48Å; V31-L176 HydrophobicContact CG2-CB 4.35Å; V31-L176 HydrophobicContact CG2-CD1 4.37Å; V31-L176 HydrophobicContact CG2-CD2 4.11Å; L34-L176 HydrophobicContact CD1-CD1 4.37Å; L34-L176 HydrophobicContact CD2-CD1 3.99Å; G174-L176 PolarHBondContact O-N 3.44Å; L176-C180 WeakPolarHBondContact O-CB 3.26Å; L176-C180 PolarHBondContact O-N 3.38Å; L176-C180 PolarHBondContact O-SG 2.95Å
177R97.1Very high96.7Very high79 Ų7942.4 Ų42.430%0.29825%0.25SS..Hα-helixtrans-67.6-44.3-178-69.9-174.7178.892.44.4111.7L24 A173 G174 F175 A179 C180 N181L24-R177 HydrophobicContact CD1-CG 4.46Å; A173-R177 HydrophobicContact CB-CB 4.02Å; A173-R177 WeakPolarHBondContact O-CD 3.36Å; A173-R177 PolarHBondContact O-NH1 2.71Å; A173-R177 VanDerWaalsContact O-NH1 3.09Å; G174-R177 PolarHBondContact O-N 3.26Å; F175-R177 VanDerWaalsContact C-N 3.35Å; F175-R177 PolarHBondContact O-N 3.5Å; R177-A179 PolarHBondContact O-N 3.21Å; R177-C180 PolarHBondContact O-N 2.73Å; R177-N181 VanDerWaalsContact O-CG 3.26Å; R177-N181 PolarHBondContact O-N 3.49Å; R177-N181 PolarHBondContact O-ND2 3.13Å
178D97.7Very high96.6Very high17 Ų1746.3 Ų46.39%0.09128%0.276CS..Hα-helixtrans-64.5-42.5179.5-66-34000111.8L154 I170 T171 G174 F175 N181 V182L154-D178 HydrophobicContact CD2-CB 4.3Å; I170-D178 WeakPolarHBondContact CA-OD2 3.33Å; I170-D178 HydrophobicContact CD1-CB 4.36Å; I170-D178 WeakPolarHBondContact CG2-OD2 3.39Å; T171-D178 WeakPolarHBondContact CG2-OD1 3.43Å; T171-D178 PolarHBondContact N-OD2 3.1Å; T171-D178 PolarHBondContact OG1-OD1 3.13Å; T171-D178 PolarHBondContact OG1-OD2 3.34Å; G174-D178 PolarHBondContact O-N 2.79Å; G174-D178 VanDerWaalsContact O-N 3.13Å; F175-D178 PolarHBondContact O-N 3Å; D178-N181 WeakPolarHBondContact O-CB 3.47Å; D178-N181 PolarHBondContact O-N 3.17Å; D178-V182 PolarHBondContact O-N 3.34Å; D178-V182 VanDerWaalsContact O-N 3.13Å
179A98.2Very high96.4Very high0 Ų046.3 Ų46.30%027%0.271CS..Hα-helixtrans-66.3-41175.600000111.7L34 F147 L154 F175 R177 N181 V182 V183L34-A179 HydrophobicContact CD1-CB 3.48Å; L34-A179 VanDerWaalsContact CD1-CB 3.48Å; L34-A179 HydrophobicContact CG-CB 4.19Å; F147-A179 HydrophobicContact CB-CB 4.28Å; L154-A179 HydrophobicContact CD1-CB 4.02Å; L154-A179 HydrophobicContact CD2-CB 4.38Å; F175-A179 HydrophobicContact CE2-CB 4.14Å; F175-A179 HydrophobicContact CZ-CB 4.15Å; F175-A179 VanDerWaalsContact O-CB 3.26Å; F175-A179 WeakPolarHBondContact O-CB 3.43Å; F175-A179 PolarHBondContact O-N 3.1Å; R177-A179 PolarHBondContact O-N 3.21Å; A179-N181 VanDerWaalsContact C-N 3.28Å; A179-N181 PolarHBondContact O-N 3.14Å; A179-V182 WeakPolarHBondContact O-CB 3.46Å; A179-V182 PolarHBondContact O-N 3.09Å; A179-V182 VanDerWaalsContact O-N 3.1Å; A179-V183 WeakPolarHBondContact O-CG2 3.49Å; A179-V183 PolarHBondContact O-N 3.16Å
180C97.9Very high96.1Very high0 Ų042.3 Ų42.30%024%0.242CC..Hα-helixtrans-62.1-35.4173.2-710000112.3L19 L24 L176 R177 V182 V183 K184L19-C180 HydrophobicContact CD2-CB 4.16Å; L24-C180 HydrophobicContact CD1-CB 3.99Å; L176-C180 WeakPolarHBondContact O-CB 3.26Å; L176-C180 PolarHBondContact O-N 3.38Å; L176-C180 PolarHBondContact O-SG 2.95Å; R177-C180 PolarHBondContact O-N 2.73Å; C180-V182 VanDerWaalsContact C-N 3.31Å; C180-V182 PolarHBondContact O-N 3.33Å; C180-V183 WeakPolarHBondContact O-CB 3.34Å; C180-V183 PolarHBondContact O-N 3.41Å; C180-K184 WeakPolarHBondContact O-CG 3.28Å; C180-K184 PolarHBondContact O-N 2.89Å
181N97.3Very high95.5Very high72 Ų7246.4 Ų46.439%0.38527%0.271SS..Hα-helixtrans-65.6-33.9174.1-73.5-29.5000112.4R177 D178 A179 K185R177-N181 VanDerWaalsContact O-CG 3.26Å; R177-N181 PolarHBondContact O-N 3.49Å; R177-N181 PolarHBondContact O-ND2 3.13Å; D178-N181 WeakPolarHBondContact O-CB 3.47Å; D178-N181 PolarHBondContact O-N 3.17Å; A179-N181 VanDerWaalsContact C-N 3.28Å; A179-N181 PolarHBondContact O-N 3.14Å; N181-K185 PolarHBondContact O-N 3.03Å
182V97.4Very high95.1Very high5 Ų546.5 Ų46.53%0.0329%0.287CS..Hα-helixtrans-66.5-45.7169.91760000110.6F147 L154 H167 D178 A179 C180 K184 K185 F186F147-V182 HydrophobicContact CE1-CB 4.25Å; F147-V182 HydrophobicContact CE1-CG1 3.55Å; F147-V182 HydrophobicContact CZ-CG1 3.87Å; L154-V182 HydrophobicContact CD2-CG2 3.56Å; H167-V182 HydrophobicContact CB-CG2 3.76Å; H167-V182 WeakPolarHBondContact CE1-CG1 3.48Å; H167-V182 WeakPolarHBondContact ND1-CG1 3.36Å; D178-V182 PolarHBondContact O-N 3.34Å; D178-V182 VanDerWaalsContact O-N 3.13Å; A179-V182 WeakPolarHBondContact O-CB 3.46Å; A179-V182 PolarHBondContact O-N 3.09Å; A179-V182 VanDerWaalsContact O-N 3.1Å; C180-V182 VanDerWaalsContact C-N 3.31Å; C180-V182 PolarHBondContact O-N 3.33Å; V182-K184 VanDerWaalsContact C-N 3.28Å; V182-K184 PolarHBondContact O-N 3.32Å; V182-K185 WeakPolarHBondContact O-CA 3.46Å; V182-K185 VanDerWaalsContact O-CB 3.29Å; V182-K185 WeakPolarHBondContact O-CB 3.39Å; V182-K185 PolarHBondContact O-N 2.91Å; V182-F186 HydrophobicContact CG1-CD2 4.12Å; V182-F186 HydrophobicContact CG1-CE2 3.93Å; V182-F186 WeakPolarHBondContact O-CD2 3.39Å; V182-F186 PolarHBondContact O-N 3.27Å
183V97.2Very high94.8Very high2 Ų241.1 Ų41.11%0.01225%0.25CC..Hα-helixtrans-56.9-40.61761740000111.5L19 F36 F147 A179 C180 K185 F186 I187 L198L19-V183 HydrophobicContact CD1-CB 4.36Å; L19-V183 HydrophobicContact CD1-CG1 3.79Å; L19-V183 HydrophobicContact CD2-CG1 4.29Å; F36-V183 HydrophobicContact CB-CG2 4.45Å; F36-V183 HydrophobicContact CD1-CG2 4.25Å; F36-V183 HydrophobicContact CD2-CG1 3.91Å; F36-V183 HydrophobicContact CD2-CG2 4.35Å; F36-V183 HydrophobicContact CE1-CG1 4.26Å; F36-V183 HydrophobicContact CE2-CG1 3.6Å; F36-V183 HydrophobicContact CG-CG1 4.38Å; F36-V183 HydrophobicContact CG-CG2 4.1Å; F36-V183 HydrophobicContact CZ-CG1 3.78Å; F147-V183 HydrophobicContact CD2-CG2 4.47Å; F147-V183 HydrophobicContact CE2-CG2 3.88Å; F147-V183 HydrophobicContact CZ-CG2 4.42Å; A179-V183 WeakPolarHBondContact O-CG2 3.49Å; A179-V183 PolarHBondContact O-N 3.16Å; C180-V183 WeakPolarHBondContact O-CB 3.34Å; C180-V183 PolarHBondContact O-N 3.41Å; V183-K185 PolarHBondContact O-N 3.35Å; V183-F186 WeakPolarHBondContact O-CB 3.41Å; V183-F186 PolarHBondContact O-N 3.06Å; V183-F186 VanDerWaalsContact O-N 3.08Å; V183-I187 HydrophobicContact CG1-CD1 4.02Å; V183-I187 HydrophobicContact CG1-CG1 4.45Å; V183-I187 WeakPolarHBondContact O-CG1 3.35Å; V183-I187 PolarHBondContact O-N 3.28Å; V183-L198 HydrophobicContact CG2-CD1 4.06Å
184K96.2Very high94.6Very high64 Ų6445.7 Ų45.728%0.27827%0.273SS..Hα-helixtrans-57.2-36.5173.7-71.9174.8-172.5172.30112.4L19 C180 V182 I187 T188L19-K184 HydrophobicContact CB-CD 4.46Å; L19-K184 VanDerWaalsContact CB-CE 3.41Å; L19-K184 HydrophobicContact CB-CG 4.18Å; L19-K184 HydrophobicContact CD1-CG 3.68Å; L19-K184 WeakPolarHBondContact O-CE 3.31Å; L19-K184 PolarHBondContact O-NZ 3.38Å; C180-K184 WeakPolarHBondContact O-CG 3.28Å; C180-K184 PolarHBondContact O-N 2.89Å; V182-K184 VanDerWaalsContact C-N 3.28Å; V182-K184 PolarHBondContact O-N 3.32Å; K184-I187 PolarHBondContact O-N 2.95Å; K184-T188 WeakPolarHBondContact O-CB 3.45Å; K184-T188 PolarHBondContact O-N 2.94Å; K184-T188 PolarHBondContact O-OG1 2.78Å
185K95.6Very high94.5Very high99 Ų9948.7 Ų48.743%0.4328%0.28SS..Hα-helixtrans-65.8-43175.3-60.7172.1-174.3174.30111.4L49 N181 V182 V183 I187 T188 C189L49-K185 HydrophobicContact CD1-CB 4.35Å; L49-K185 HydrophobicContact CD2-CB 4.07Å; N181-K185 PolarHBondContact O-N 3.03Å; V182-K185 WeakPolarHBondContact O-CA 3.46Å; V182-K185 VanDerWaalsContact O-CB 3.29Å; V182-K185 WeakPolarHBondContact O-CB 3.39Å; V182-K185 PolarHBondContact O-N 2.91Å; V183-K185 PolarHBondContact O-N 3.35Å; K185-I187 PolarHBondContact O-N 3.22Å; K185-T188 PolarHBondContact O-N 3.31Å; K185-C189 PolarHBondContact O-N 3.32Å; K185-C189 PolarHBondContact O-SG 3.17Å; K185-C189 VanDerWaalsContact O-SG 3.35Å
186F95Very high94.3Very high2 Ų250.2 Ų50.21%0.00929%0.287CS..Hα-helixtrans-57.6-48.2173.8-84.9-101.7000111.6F36 Y38 I44 L49 F147 E156 V182 V183 T188 C189F36-F186 HydrophobicContact CE1-CB 3.64Å; F36-F186 AromaticContact CE1-CD1 3.92Å; F36-F186 HydrophobicContact CE1-CD1 3.92Å; F36-F186 HydrophobicContact CE1-CD2 4.47Å; F36-F186 AromaticContact CE1-CG 3.78Å; F36-F186 HydrophobicContact CE1-CG 3.78Å; F36-F186 HydrophobicContact CZ-CB 4.08Å; Y38-F186 HydrophobicContact CD1-CD1 4.41Å; Y38-F186 HydrophobicContact CD2-CD1 4.3Å; Y38-F186 HydrophobicContact CE1-CD1 4.23Å; Y38-F186 AromaticContact CE1-CE1 3.97Å; Y38-F186 HydrophobicContact CE1-CE1 3.97Å; Y38-F186 HydrophobicContact CE2-CD1 4.14Å; Y38-F186 HydrophobicContact CE2-CE1 4.1Å; Y38-F186 HydrophobicContact CG-CD1 4.44Å; Y38-F186 AromaticContact CZ-CE1 3.71Å; I44-F186 HydrophobicContact CD1-CD1 4.03Å; I44-F186 HydrophobicContact CG1-CD1 4.43Å; I44-F186 HydrophobicContact CG2-CD1 3.77Å; I44-F186 HydrophobicContact CG2-CE1 3.61Å; L49-F186 HydrophobicContact CD1-CB 4.47Å; L49-F186 HydrophobicContact CD1-CD1 4.16Å; L49-F186 HydrophobicContact CD1-CD2 3.43Å; L49-F186 VanDerWaalsContact CD1-CD2 3.43Å; L49-F186 HydrophobicContact CD1-CE1 4.25Å; L49-F186 HydrophobicContact CD1-CE2 3.55Å; L49-F186 HydrophobicContact CD1-CG 3.75Å; L49-F186 HydrophobicContact CD1-CZ 3.96Å; F147-F186 HydrophobicContact CZ-CE2 4.09Å; E156-F186 WeakPolarHBondContact OE2-CZ 3.48Å; V182-F186 HydrophobicContact CG1-CD2 4.12Å; V182-F186 HydrophobicContact CG1-CE2 3.93Å; V182-F186 WeakPolarHBondContact O-CD2 3.39Å; V182-F186 PolarHBondContact O-N 3.27Å; V183-F186 WeakPolarHBondContact O-CB 3.41Å; V183-F186 PolarHBondContact O-N 3.06Å; V183-F186 VanDerWaalsContact O-N 3.08Å; F186-T188 VanDerWaalsContact C-N 3.31Å; F186-T188 PolarHBondContact O-N 3.19Å; F186-C189 WeakPolarHBondContact O-CB 3.29Å; F186-C189 PolarHBondContact O-N 2.76Å; F186-C189 VanDerWaalsContact O-N 3.16Å
187I94.3Very high94.2Very high54 Ų5451.9 Ų51.928%0.27730%0.299SS..Hα-helixtrans-62.6-39.7179.2-65.4171.7000111L19 V183 K184 K185 C189 L190 F196L19-I187 HydrophobicContact CD1-CD1 3.55Å; V183-I187 HydrophobicContact CG1-CD1 4.02Å; V183-I187 HydrophobicContact CG1-CG1 4.45Å; V183-I187 WeakPolarHBondContact O-CG1 3.35Å; V183-I187 PolarHBondContact O-N 3.28Å; K184-I187 PolarHBondContact O-N 2.95Å; K185-I187 PolarHBondContact O-N 3.22Å; I187-C189 PolarHBondContact O-N 2.77Å; I187-L190 CarbonylContact O-C 3.3Å; I187-L190 VanDerWaalsContact O-C 3.3Å; I187-L190 WeakPolarHBondContact O-CA 3.46Å; I187-L190 PolarHBondContact O-N 3.11Å; I187-F196 HydrophobicContact CB-CE2 4.44Å; I187-F196 HydrophobicContact CB-CZ 4.34Å; I187-F196 HydrophobicContact CD1-CD2 4.48Å; I187-F196 HydrophobicContact CD1-CG 4.5Å; I187-F196 HydrophobicContact CG1-CD1 4.11Å; I187-F196 HydrophobicContact CG1-CD2 4.12Å; I187-F196 HydrophobicContact CG1-CE1 4.01Å; I187-F196 HydrophobicContact CG1-CE2 4.02Å; I187-F196 HydrophobicContact CG1-CG 4.15Å; I187-F196 HydrophobicContact CG1-CZ 3.97Å; I187-F196 HydrophobicContact CG2-CE2 4.07Å; I187-F196 HydrophobicContact CG2-CZ 4.37Å
188T94.3Very high94.2Very high109 Ų10948.6 Ų48.667%0.66929%0.288SS*.Hα-helixtrans-62.6-30.4178.2-57.10000112.3K184 K185 F186 L190K184-T188 WeakPolarHBondContact O-CB 3.45Å; K184-T188 PolarHBondContact O-N 2.94Å; K184-T188 PolarHBondContact O-OG1 2.78Å; K185-T188 PolarHBondContact O-N 3.31Å; F186-T188 VanDerWaalsContact C-N 3.31Å; F186-T188 PolarHBondContact O-N 3.19Å; T188-L190 PolarHBondContact O-N 2.55Å
189C93.1Very high94.2Very high32 Ų3249.9 Ų49.922%0.21629%0.294CS..THydrogen-bonded Turntrans-70.2-12.3173.5-65.30000113.5P43 I44 A47 K185 F186 I187 P191P43-C189 WeakPolarHBondContact CB-O 3.43Å; I44-C189 HydrophobicContact CG1-CB 3.93Å; A47-C189 VanDerWaalsContact CB-SG 3.57Å; K185-C189 PolarHBondContact O-N 3.32Å; K185-C189 PolarHBondContact O-SG 3.17Å; K185-C189 VanDerWaalsContact O-SG 3.35Å; F186-C189 WeakPolarHBondContact O-CB 3.29Å; F186-C189 PolarHBondContact O-N 2.76Å; F186-C189 VanDerWaalsContact O-N 3.16Å; I187-C189 PolarHBondContact O-N 2.77Å; C189-P191 VanDerWaalsContact C-CD 3.49Å
190L91.2Very high94.1Very high6 Ų649.9 Ų49.93%0.03129%0.294CS..  trans-128.862.3-175.9-61.9179.6000111.8P39 E41 I44 I187 T188 G192 S193 F196P39-L190 HydrophobicContact CG-CD1 3.64Å; E41-L190 HydrophobicContact CB-CD2 3.82Å; E41-L190 HydrophobicContact CG-CD2 4.13Å; I44-L190 HydrophobicContact CD1-CD1 3.28Å; I44-L190 HydrophobicContact CD1-CD2 3.95Å; I44-L190 HydrophobicContact CD1-CG 3.58Å; I44-L190 HydrophobicContact CG1-CD1 4.19Å; I44-L190 HydrophobicContact CG1-CD2 4.06Å; I44-L190 HydrophobicContact CG1-CG 3.94Å; I187-L190 CarbonylContact O-C 3.3Å; I187-L190 VanDerWaalsContact O-C 3.3Å; I187-L190 WeakPolarHBondContact O-CA 3.46Å; I187-L190 PolarHBondContact O-N 3.11Å; T188-L190 PolarHBondContact O-N 2.55Å; L190-G192 PolarHBondContact O-N 3.26Å; L190-S193 PolarHBondContact O-N 3.49Å; L190-F196 HydrophobicContact CB-CZ 3.93Å; L190-F196 HydrophobicContact CD1-CE1 3.66Å; L190-F196 HydrophobicContact CD1-CZ 3.65Å; L190-F196 HydrophobicContact CG-CZ 4.44Å
191P85.1Confident94.1Very high127 Ų12749.9 Ų49.983%0.82529%0.294SS*.THydrogen-bonded Turntrans-64.4-5.7-168.326-35.9000116C189C189-P191 VanDerWaalsContact C-CD 3.49Å
192G87.7Confident93.9Very high77 Ų7746.5 Ų46.579%0.79428%0.275SS*.THydrogen-bonded Turntrans-115.7-3.7175.700000114.7L190L190-G192 PolarHBondContact O-N 3.26Å
193S90.3Very high93.5Very high24 Ų2446.6 Ų46.617%0.16828%0.276CS..  trans-82.9146-179.8-174.90000111P39 L190 E195 F196P39-S193 WeakPolarHBondContact CG-OG 3.42Å; L190-S193 PolarHBondContact O-N 3.49Å; S193-E195 PolarHBondContact OG-N 2.9Å; S193-E195 VanDerWaalsContact OG-N 3.17Å; S193-F196 WeakPolarHBondContact O-CE2 3.35Å
194V90.7Very high92.4Very high132 Ų13249 Ų4980%0.829%0.289SS*.  trans-121.84.1169.2-62.90000111.3F196V194-F196 PolarHBondContact O-N 2.85Å
195E92.4Very high90.6Very high92 Ų9252 Ų5243%0.4331%0.308SS..  trans-88.956.6-170.5-59.4-175.5115.500111.3P39 L142 S193P39-E195 WeakPolarHBondContact CD-O 3.46Å; L142-E195 HydrophobicContact CD2-CB 3.86Å; S193-E195 PolarHBondContact OG-N 2.9Å; S193-E195 VanDerWaalsContact OG-N 3.17Å
196F94.2Very high88.4Confident52 Ų5257.2 Ų57.223%0.22834%0.341CS..  trans-115.4141.7180-56.6-69.7000111.2F36 L37 I187 L190 S193 V194F36-F196 HydrophobicContact CE2-CB 4.19Å; F36-F196 AromaticContact CE2-CD1 3.81Å; F36-F196 HydrophobicContact CE2-CD1 3.81Å; F36-F196 HydrophobicContact CE2-CG 4.39Å; F36-F196 AromaticContact CZ-CD1 3.65Å; F36-F196 HydrophobicContact CZ-CD1 3.65Å; F36-F196 HydrophobicContact CZ-CE1 4.16Å; L37-F196 WeakPolarHBondContact O-CA 3.38Å; I187-F196 HydrophobicContact CB-CE2 4.44Å; I187-F196 HydrophobicContact CB-CZ 4.34Å; I187-F196 HydrophobicContact CD1-CD2 4.48Å; I187-F196 HydrophobicContact CD1-CG 4.5Å; I187-F196 HydrophobicContact CG1-CD1 4.11Å; I187-F196 HydrophobicContact CG1-CD2 4.12Å; I187-F196 HydrophobicContact CG1-CE1 4.01Å; I187-F196 HydrophobicContact CG1-CE2 4.02Å; I187-F196 HydrophobicContact CG1-CG 4.15Å; I187-F196 HydrophobicContact CG1-CZ 3.97Å; I187-F196 HydrophobicContact CG2-CE2 4.07Å; I187-F196 HydrophobicContact CG2-CZ 4.37Å; L190-F196 HydrophobicContact CB-CZ 3.93Å; L190-F196 HydrophobicContact CD1-CE1 3.66Å; L190-F196 HydrophobicContact CD1-CZ 3.65Å; L190-F196 HydrophobicContact CG-CZ 4.44Å; S193-F196 WeakPolarHBondContact O-CE2 3.35Å; V194-F196 PolarHBondContact O-N 2.85Å
197S95.9Very high88Confident45 Ų4560 Ų6032%0.31536%0.357SS..EExtended strand (participates in β ladder)trans-138.9141167.8-171.30000109.4F36 L37F36-S197 WeakPolarHBondContact CD2-O 3.04Å; L37-S197 PolarHBondContact N-O 3.44Å; L37-S197 PolarHBondContact O-N 3.29Å; L37-S197 VanDerWaalsContact O-N 3.1Å
198L97.5Very high87.7Confident10 Ų1060.3 Ų60.35%0.05236%0.361CS..EExtended strand (participates in β ladder)trans-133.3128.6178.7-171.468000109.3I16 L19 L34 L35 F36 V183I16-L198 HydrophobicContact CB-CB 4.23Å; I16-L198 HydrophobicContact CB-CD2 3.99Å; I16-L198 HydrophobicContact CB-CG 4.11Å; I16-L198 HydrophobicContact CD1-CD2 4.06Å; I16-L198 HydrophobicContact CD1-CG 4.12Å; I16-L198 HydrophobicContact CG2-CD2 3.88Å; I16-L198 PolarHBondContact N-O 3.4Å; L19-L198 HydrophobicContact CD2-CD2 3.5Å; L19-L198 VanDerWaalsContact CD2-CD2 3.5Å; L34-L198 HydrophobicContact CB-CD1 4.04Å; L34-L198 HydrophobicContact CD1-CD1 4.15Å; L34-L198 HydrophobicContact CD1-CD2 4.26Å; L35-L198 WeakPolarHBondContact O-CA 3.29Å; F36-L198 HydrophobicContact CB-CD1 3.77Å; F36-L198 HydrophobicContact CD2-CD1 4.04Å; F36-L198 HydrophobicContact CG-CD1 4.25Å; V183-L198 HydrophobicContact CG2-CD1 4.06Å
199M97.2Very high87.4Confident44 Ų4457.6 Ų57.622%0.21734%0.344CS..EExtended strand (participates in β ladder)trans-123.9139173.1-65.3172.6-81.600109.8F13 I14 D15 L34 L35 F144F13-M199 HydrophobicContact CD1-CB 4.05Å; I14-M199 CarbonylContact O-C 3.52Å; I14-M199 VanDerWaalsContact O-CA 3.27Å; I14-M199 WeakPolarHBondContact O-CA 3.39Å; D15-M199 WeakPolarHBondContact OD1-CG 3.44Å; L34-M199 CarbonylContact C-O 3.53Å; L34-M199 VanDerWaalsContact CA-O 3.31Å; L34-M199 WeakPolarHBondContact CA-O 3.2Å; L35-M199 HydrophobicContact CB-CB 4.39Å; L35-M199 HydrophobicContact CB-CE 4.24Å; L35-M199 HydrophobicContact CD1-CE 4.22Å; L35-M199 PolarHBondContact N-O 2.85Å; L35-M199 PolarHBondContact O-N 2.89Å; F144-M199 HydrophobicContact CE1-CE 3.75Å; F144-M199 HydrophobicContact CZ-CE 4.09Å
200G97Very high87Confident0 Ų059.1 Ų59.10%035%0.352CS..EExtended strand (participates in β ladder)trans-105.1138.1172.600000111.7F13 I14 C202F13-G200 CarbonylContact C-O 3.56Å; F13-G200 VanDerWaalsContact CA-O 3.26Å; F13-G200 WeakPolarHBondContact CA-O 3.26Å; I14-G200 PolarHBondContact N-O 2.8Å; I14-G200 PolarHBondContact O-N 3.3Å; G200-C202 PolarHBondContact O-N 3.47Å; G200-C202 PolarHBondContact O-SG 3.36Å; G200-C202 VanDerWaalsContact O-SG 3.4Å
201L95.9Very high86.8Confident0 Ų062.4 Ų62.40%037%0.372CS..EExtended strand (participates in β ladder)trans-84.7106.9167.1-174.653.9000108.7M1 W11 F13 V31 I32 S33 L85M1-L201 HydrophobicContact CE-CD1 3.96Å; M1-L201 HydrophobicContact SD-CD1 3.68Å; M1-L201 HydrophobicContact SD-CD2 4.44Å; W11-L201 HydrophobicContact CB-CD1 4.11Å; W11-L201 HydrophobicContact CE3-CG 4.28Å; F13-L201 HydrophobicContact CD1-CB 4.06Å; F13-L201 HydrophobicContact CD2-CD1 4.04Å; F13-L201 HydrophobicContact CE1-CB 3.6Å; F13-L201 HydrophobicContact CE1-CD1 4.43Å; F13-L201 HydrophobicContact CE1-CG 4.45Å; F13-L201 HydrophobicContact CE2-CB 4.49Å; F13-L201 HydrophobicContact CE2-CD1 3.94Å; F13-L201 HydrophobicContact CE2-CD2 4.42Å; F13-L201 HydrophobicContact CG-CD1 4.34Å; F13-L201 HydrophobicContact CZ-CB 3.84Å; F13-L201 HydrophobicContact CZ-CD1 4.14Å; F13-L201 HydrophobicContact CZ-CD2 4.11Å; F13-L201 HydrophobicContact CZ-CG 4.26Å; V31-L201 WeakPolarHBondContact CA-O 3.45Å; I32-L201 HydrophobicContact CD1-CD2 3.76Å; I32-L201 HydrophobicContact CD1-CG 3.99Å; I32-L201 HydrophobicContact CG1-CB 4.05Å; I32-L201 HydrophobicContact CG1-CD2 3.92Å; I32-L201 HydrophobicContact CG1-CG 3.84Å; I32-L201 WeakPolarHBondContact CG1-O 3.4Å; I32-L201 PolarHBondContact N-O 3.18Å; S33-L201 PolarHBondContact O-N 3.15Å; S33-L201 WeakPolarHBondContact OG-CB 3.43Å; L85-L201 HydrophobicContact CD2-CD2 4.3Å
202C94.3Very high86.9Confident0 Ų058.1 Ų58.10%034%0.342CS..EExtended strand (participates in β ladder)trans-118.9148.4-169.8-48.40000111W11 K12 I14 P28 P30 G200W11-C202 WeakPolarHBondContact CA-O 3.35Å; K12-C202 PolarHBondContact N-O 3.39Å; K12-C202 PolarHBondContact O-N 3.25Å; I14-C202 HydrophobicContact CD1-CB 3.94Å; I14-C202 HydrophobicContact CG1-CB 4.48Å; P28-C202 HydrophobicContact CB-CB 4.23Å; P28-C202 WeakPolarHBondContact O-CB 3.39Å; P30-C202 WeakPolarHBondContact O-CA 3.35Å; G200-C202 PolarHBondContact O-N 3.47Å; G200-C202 PolarHBondContact O-SG 3.36Å; G200-C202 VanDerWaalsContact O-SG 3.4Å
203S89.4Confident86.8Confident7 Ų756.7 Ų56.75%0.04931%0.31CS..EExtended strand (participates in β ladder)trans-85.9127167.9-161.60000109.7S10 W11 P30 N205S10-S203 CarbonylContact O-C 3.45Å; S10-S203 WeakPolarHBondContact O-CA 3.39Å; W11-S203 VanDerWaalsContact CE3-N 3.35Å; P30-S203 PolarHBondContact O-N 3.12Å; P30-S203 VanDerWaalsContact O-N 3.1Å; S203-N205 PolarHBondContact O-N 3.49Å; S203-N205 PolarHBondContact OG-OD1 3.16Å
204D73.4Confident86.5Confident54 Ų5459.2 Ų59.229%0.28932%0.32SS..  trans-92.589.6169.4-156.821.9000108.4S10 K12 N206S10-D204 PolarHBondContact O-N 3.09Å; K12-D204 HydrophobicContact CD-CB 4.28Å; K12-D204 WeakPolarHBondContact CE-OD2 3.12Å; K12-D204 VanDerWaalsContact NZ-CG 3.26Å; K12-D204 IonicContact NZ-OD1 2.71Å; K12-D204 IonicContact NZ-OD2 3.83Å; K12-D204 PolarHBondContact NZ-OD2 2.94Å; D204-N206 PolarHBondContact O-N 3.29Å
205N59.2Low86.2Confident125 Ų12553.2 Ų53.267%0.66828%0.28SS*.  trans-8929.4177.5-72.1-20.9000112.6S203S203-N205 PolarHBondContact O-N 3.49Å; S203-N205 PolarHBondContact OG-OD1 3.16Å
206N48Very low85.6Confident209 Ų20949.6 Ų49.6100%1.11827%0.267SS*.  trans-89.80174.4-80.5-30.4000112D204D204-N206 PolarHBondContact O-N 3.29Å

Retrieved 206 of 206 residues in 315.9 ms (Link to these results)

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