A0A087YBV1_POEFO Loading...

FERM domain containing kindlin 2

AlphaFold DB , UniProt , Accession A0A087YBV1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 695 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
1M41.9Very low52.8Low248 Ų248129.1 Ų129.1100%1.22272%0.716SS**  0142.20-82-178.8-173.500107.9
2A40.2Very low53.1Low93 Ų93124.3 Ų124.377%0.76970%0.697SS**  trans81.184.4-176.800000116.3
3L41.8Very low53.6Low172 Ų172126.9 Ų126.990%0.90169%0.691SS**  trans-108.397.2145.3-87.7161.4000105.5G5L3-G5 PolarHBondContact O-N 2.91Å
4D48Very low54.4Low168 Ų168120.8 Ų120.890%0.89867%0.666SS**  trans-64.587.2167.9-89-28000108.5
5G53.1Low56Low30 Ų30119.6 Ų119.631%0.30966%0.658SS.*PPolyproline II helixtrans-83133.3166.600000109.8L3 R7L3-G5 PolarHBondContact O-N 2.91Å; G5-R7 PolarHBondContact O-N 2.93Å; G5-R7 VanDerWaalsContact O-N 3.15Å
6I57.1Low57.5Low133 Ų133115.4 Ų115.468%0.68265%0.651SS**PPolyproline II helixtrans-62.9116.6174-62.9172000108M8 A14I6-M8 PolarHBondContact O-N 2.97Å; I6-A14 HydrophobicContact CB-CB 4.32Å; I6-A14 WeakPolarHBondContact O-CB 3.49Å; I6-A14 PolarHBondContact O-N 3.31Å
7R53.3Low59.4Low185 Ų185111.1 Ų111.170%0.69863%0.628SS**BIsolated β-bridgetrans-79.2118.2177.7-174.9174.6169.7-175-3.4109.4G5G5-R7 PolarHBondContact O-N 2.93Å; G5-R7 VanDerWaalsContact O-N 3.15Å
8M62.4Low61.3Low94 Ų94107.2 Ų107.246%0.46360%0.602SS.*PPolyproline II helixtrans-73.6160177.2-68-84.8-176.300110.7I6 D10 G11 C12 A14I6-M8 PolarHBondContact O-N 2.97Å; M8-D10 WeakPolarHBondContact CB-OD1 3.43Å; M8-D10 PolarHBondContact O-N 2.76Å; M8-D10 VanDerWaalsContact O-N 3.08Å; M8-G11 PolarHBondContact O-N 2.85Å; M8-C12 WeakPolarHBondContact CB-O 3.48Å; M8-C12 PolarHBondContact N-O 3.35Å; M8-A14 HydrophobicContact CE-CB 3.83Å; M8-A14 HydrophobicContact CG-CB 4.5Å
9P60Low63Low141 Ų141106.7 Ų106.792%0.91659%0.594SS**THydrogen-bonded Turntrans-61-17.1-178-23.233.6000115.1G11P9-G11 VanDerWaalsContact C-N 3.34Å
10D67.2Low64.6Low118 Ų118101.4 Ų101.463%0.63156%0.564SS**THydrogen-bonded Turntrans-86.3-1.8176.164.5-3.3000113.4M8 C12M8-D10 WeakPolarHBondContact CB-OD1 3.43Å; M8-D10 PolarHBondContact O-N 2.76Å; M8-D10 VanDerWaalsContact O-N 3.08Å; D10-C12 WeakPolarHBondContact OD1-CB 3.5Å; D10-C12 PolarHBondContact OD1-N 3.24Å
11G55.5Low66.1Low38 Ų38102.1 Ų102.139%0.39256%0.562SS.*SBendtrans87.60.1-179.900000115M8 P9M8-G11 PolarHBondContact O-N 2.85Å; P9-G11 VanDerWaalsContact C-N 3.34Å
12C56.6Low68.7Low72 Ų7290.4 Ų90.449%0.48650%0.504SS..  trans-85.7147175.5-62.80000111.4M8 D10M8-C12 WeakPolarHBondContact CB-O 3.48Å; M8-C12 PolarHBondContact N-O 3.35Å; D10-C12 WeakPolarHBondContact OD1-CB 3.5Å; D10-C12 PolarHBondContact OD1-N 3.24Å
13Y60.2Low71.4Confident158 Ų15888.6 Ų88.662%0.6248%0.48SS*.BIsolated β-bridgetrans-76.6137.2169.5-72.6-88.2000109.4D15Y13-D15 PolarHBondContact O-N 2.71Å
14A64.8Low74.1Confident41 Ų4180.4 Ų80.434%0.33944%0.437SS..  trans-63.599.117000000109.1I6 M8 G16I6-A14 HydrophobicContact CB-CB 4.32Å; I6-A14 WeakPolarHBondContact O-CB 3.49Å; I6-A14 PolarHBondContact O-N 3.31Å; M8-A14 HydrophobicContact CE-CB 3.83Å; M8-A14 HydrophobicContact CG-CB 4.5Å; A14-G16 PolarHBondContact O-N 3.03Å
15D77.3Confident76.2Confident103 Ų10374 Ų7455%0.55140%0.404SS*.  trans-82.28.318065.6-3.6000112.8Y13 T17Y13-D15 PolarHBondContact O-N 2.71Å; D15-T17 HydrophobicContact CB-CG2 4.42Å; D15-T17 VanDerWaalsContact CG-CG2 3.46Å; D15-T17 VanDerWaalsContact CG-OG1 3.24Å; D15-T17 PolarHBondContact O-N 2.82Å; D15-T17 VanDerWaalsContact OD1-CB 3.26Å; D15-T17 WeakPolarHBondContact OD1-CB 3.47Å; D15-T17 WeakPolarHBondContact OD1-CG2 3.43Å; D15-T17 PolarHBondContact OD1-N 3.42Å; D15-T17 PolarHBondContact OD1-OG1 3.24Å; D15-T17 WeakPolarHBondContact OD2-CG2 3.44Å; D15-T17 PolarHBondContact OD2-OG1 2.95Å
16G80.4Confident77.9Confident53 Ų5374.7 Ų74.755%0.54640%0.4SS..SBendtrans70.46.2-176.800000113.9A14A14-G16 PolarHBondContact O-N 3.03Å
17T89.6Confident79.6Confident41 Ų4171.3 Ų71.325%0.25238%0.383SS..  trans-85.8150.9178.172.90000111.9D15 R34 V35 T36D15-T17 HydrophobicContact CB-CG2 4.42Å; D15-T17 VanDerWaalsContact CG-CG2 3.46Å; D15-T17 VanDerWaalsContact CG-OG1 3.24Å; D15-T17 PolarHBondContact O-N 2.82Å; D15-T17 VanDerWaalsContact OD1-CB 3.26Å; D15-T17 WeakPolarHBondContact OD1-CB 3.47Å; D15-T17 WeakPolarHBondContact OD1-CG2 3.43Å; D15-T17 PolarHBondContact OD1-N 3.42Å; D15-T17 PolarHBondContact OD1-OG1 3.24Å; D15-T17 WeakPolarHBondContact OD2-CG2 3.44Å; D15-T17 PolarHBondContact OD2-OG1 2.95Å; T17-R34 HydrophobicContact CG2-CG 4.38Å; T17-R34 WeakPolarHBondContact OG1-CD 3.34Å; T17-V35 CarbonylContact C-O 3.54Å; T17-V35 WeakPolarHBondContact CA-O 3.22Å; T17-T36 HydrophobicContact CG2-CG2 3.67Å
18W93.7Very high81.5Confident41 Ų4170 Ų7016%0.15539%0.385CS..EExtended strand (participates in β ladder)trans-147.8167.2177.152.4-91.9000110.5L20 R34 V35 L79 I84 Q85 A86W18-L20 HydrophobicContact CE3-CB 4.17Å; W18-L20 HydrophobicContact CH2-CB 4.06Å; W18-L20 HydrophobicContact CH2-CD1 3.86Å; W18-L20 HydrophobicContact CH2-CG 4.37Å; W18-L20 HydrophobicContact CZ3-CB 3.47Å; W18-L20 VanDerWaalsContact CZ3-CB 3.47Å; W18-L20 HydrophobicContact CZ3-CD1 3.66Å; W18-L20 HydrophobicContact CZ3-CG 4.1Å; W18-R34 WeakPolarHBondContact O-CA 3.45Å; W18-V35 HydrophobicContact CD2-CG2 3.92Å; W18-V35 HydrophobicContact CE3-CG2 3.9Å; W18-V35 HydrophobicContact CH2-CG2 3.82Å; W18-V35 HydrophobicContact CZ2-CG2 3.81Å; W18-V35 HydrophobicContact CZ3-CG2 3.89Å; W18-V35 PolarHBondContact N-O 2.64Å; W18-V35 PolarHBondContact O-N 2.95Å; W18-L79 HydrophobicContact CH2-CD1 3.87Å; W18-L79 HydrophobicContact CZ2-CD1 3.75Å; W18-I84 HydrophobicContact CH2-CG2 3.97Å; W18-Q85 WeakPolarHBondContact CZ3-O 3.13Å; W18-A86 HydrophobicContact CB-CB 3.88Å; W18-A86 HydrophobicContact CD2-CB 4.03Å; W18-A86 HydrophobicContact CE3-CB 3.91Å; W18-A86 HydrophobicContact CG-CB 4.03Å
19E93.6Very high83Confident98 Ų9871.1 Ų71.146%0.45838%0.384SS..EExtended strand (participates in β ladder)trans-93.8115-179.4-70.6-167.9166.300112.1L33E19-L33 WeakPolarHBondContact CA-O 3.47Å
20L95.8Very high84.7Confident0 Ų070.2 Ų70.20%037%0.371CS..EExtended strand (participates in β ladder)trans-87.2119.9171.7-18059.7000110W18 M22 S32 L33 V35 V44 L79 I84 L90W18-L20 HydrophobicContact CE3-CB 4.17Å; W18-L20 HydrophobicContact CH2-CB 4.06Å; W18-L20 HydrophobicContact CH2-CD1 3.86Å; W18-L20 HydrophobicContact CH2-CG 4.37Å; W18-L20 HydrophobicContact CZ3-CB 3.47Å; W18-L20 VanDerWaalsContact CZ3-CB 3.47Å; W18-L20 HydrophobicContact CZ3-CD1 3.66Å; W18-L20 HydrophobicContact CZ3-CG 4.1Å; L20-M22 HydrophobicContact CD2-CG 4.39Å; L20-M22 HydrophobicContact CD2-SD 3.95Å; L20-M22 HydrophobicContact CG-CG 4Å; L20-M22 HydrophobicContact CG-SD 4.16Å; L20-S32 VanDerWaalsContact O-CA 3.31Å; L20-S32 WeakPolarHBondContact O-CA 3.48Å; L20-L33 PolarHBondContact N-O 2.68Å; L20-L33 PolarHBondContact O-N 3.01Å; L20-V35 HydrophobicContact CB-CG1 4.49Å; L20-V35 HydrophobicContact CB-CG2 3.74Å; L20-V44 HydrophobicContact CD2-CG1 3.83Å; L20-L79 HydrophobicContact CD2-CD1 4.22Å; L20-L79 HydrophobicContact CD2-CD2 4.4Å; L20-I84 HydrophobicContact CD1-CG2 4.23Å; L20-L90 HydrophobicContact CD1-CD1 3.86Å; L20-L90 HydrophobicContact CD1-CG 4.07Å; L20-L90 HydrophobicContact CD2-CD1 4Å; L20-L90 HydrophobicContact CG-CD1 4.34Å
21K95.6Very high86Confident117 Ų11765 Ų6551%0.50934%0.343SS..EExtended strand (participates in β ladder)trans-94.2128.9178.5-64-173.5179.2-178.10110.9L90K21-L90 PolarHBondContact O-N 3.37Å; K21-L90 VanDerWaalsContact O-N 3.1Å
22M96.8Very high87.9Confident3 Ų365 Ų652%0.01534%0.338CS..EExtended strand (participates in β ladder)trans-135.7132.4-175-58.6176.54400110.7L20 V31 L33 V44 L48 L63 L90 F92L20-M22 HydrophobicContact CD2-CG 4.39Å; L20-M22 HydrophobicContact CD2-SD 3.95Å; L20-M22 HydrophobicContact CG-CG 4Å; L20-M22 HydrophobicContact CG-SD 4.16Å; M22-V31 PolarHBondContact N-O 2.65Å; M22-V31 PolarHBondContact O-N 3.37Å; M22-L33 HydrophobicContact SD-CD1 4.17Å; M22-V44 HydrophobicContact CE-CG1 4.31Å; M22-V44 HydrophobicContact SD-CG1 3.69Å; M22-L48 HydrophobicContact CE-CB 4.24Å; M22-L48 HydrophobicContact CE-CD1 3.77Å; M22-L48 HydrophobicContact CE-CD2 3.35Å; M22-L48 HydrophobicContact CE-CG 3.96Å; M22-L48 HydrophobicContact SD-CD1 4.33Å; M22-L63 HydrophobicContact CE-CD2 3.24Å; M22-L63 HydrophobicContact SD-CD2 4.42Å; M22-L90 CarbonylContact C-O 3.49Å; M22-L90 VanDerWaalsContact CA-O 3.26Å; M22-L90 WeakPolarHBondContact CA-O 3.39Å; M22-L90 HydrophobicContact CG-CB 4.22Å; M22-F92 HydrophobicContact CE-CB 4.24Å
23H97.5Very high89.7Confident54 Ų5462.2 Ų62.225%0.2532%0.318CS..EExtended strand (participates in β ladder)trans-103.6122.8173.9-17776.9000110.3D30 L90 L91 F92H23-D30 WeakPolarHBondContact CB-OD1 3.36Å; H23-D30 IonicContact CE1-OD1 3.6Å; H23-D30 IonicContact CG-OD1 2.63Å; H23-D30 IonicContact ND1-OD1 4Å; H23-D30 PolarHBondContact ND1-OD1 3.21Å; H23-L90 PolarHBondContact N-O 3.23Å; H23-L91 HydrophobicContact CB-CD2 3.75Å; H23-L91 CarbonylContact O-C 3.22Å; H23-L91 WeakPolarHBondContact O-CA 3.43Å; H23-F92 PolarHBondContact O-N 2.78Å
24V96.5Very high91.3Very high0 Ų062.2 Ų62.20%032%0.317CS..EExtended strand (participates in β ladder)trans-90.2105.1178-177.50000108.2D26 L27 H28 R29 V31 L48 L52 W58 F92V24-D26 WeakPolarHBondContact CG1-OD1 3.23Å; V24-D26 PolarHBondContact O-N 3.42Å; V24-L27 HydrophobicContact CB-CB 4.46Å; V24-L27 HydrophobicContact CG1-CB 4Å; V24-L27 HydrophobicContact CG1-CD1 4.14Å; V24-L27 HydrophobicContact CG1-CG 4.03Å; V24-L27 PolarHBondContact O-N 2.96Å; V24-H28 WeakPolarHBondContact O-CA 3.33Å; V24-H28 PolarHBondContact O-N 3.07Å; V24-R29 PolarHBondContact N-O 3.3Å; V24-R29 PolarHBondContact O-N 3.37Å; V24-V31 HydrophobicContact CG2-CG2 4.26Å; V24-L48 HydrophobicContact CG2-CD1 4.43Å; V24-L48 HydrophobicContact CG2-CD2 4.36Å; V24-L52 HydrophobicContact CG1-CD1 4.39Å; V24-L52 HydrophobicContact CG2-CD1 4Å; V24-L52 HydrophobicContact CG2-CD2 4.25Å; V24-W58 HydrophobicContact CG1-CH2 4.07Å; V24-W58 HydrophobicContact CG1-CZ3 4.07Å; V24-F92 WeakPolarHBondContact CA-O 3.39Å; V24-F92 HydrophobicContact CG1-CD1 4.26Å; V24-F92 HydrophobicContact CG2-CB 4.32Å; V24-F92 HydrophobicContact CG2-CD1 4.32Å
25T93.2Very high92.8Very high33 Ų3360.4 Ų60.420%0.20230%0.302CS..THydrogen-bonded Turntrans-66.5-35.7-16254.90000113.9H28 L91 F92 T93T25-H28 PolarHBondContact O-CE1 3.16Å; T25-H28 PolarHBondContact O-ND1 2.95Å; T25-H28 VanDerWaalsContact O-ND1 3.14Å; T25-L91 HydrophobicContact CG2-CB 4.17Å; T25-L91 HydrophobicContact CG2-CD1 4.4Å; T25-F92 PolarHBondContact N-O 2.84Å; T25-F92 PolarHBondContact OG1-O 2.86Å; T25-T93 WeakPolarHBondContact OG1-CA 2.86Å; T25-T93 WeakPolarHBondContact OG1-CB 3.45Å; T25-T93 PolarHBondContact OG1-OG1 3.34Å
26D89.4Confident93.6Very high45 Ų4558 Ų5824%0.24129%0.291CS..THydrogen-bonded Turntrans-83.9-20.1-176.557.2-32.9000113.6V24 K56 H61V24-D26 WeakPolarHBondContact CG1-OD1 3.23Å; V24-D26 PolarHBondContact O-N 3.42Å; D26-K56 WeakPolarHBondContact OD2-CE 2.93Å; D26-K56 IonicContact OD2-NZ 2.67Å; D26-K56 PolarHBondContact OD2-NZ 3.44Å; D26-H61 IonicContact OD1-NE2 3.92Å; D26-H61 PolarHBondContact OD1-NE2 3.06Å; D26-H61 IonicContact OD2-CE1 3.49Å; D26-H61 IonicContact OD2-NE2 2.72Å; D26-H61 PolarHBondContact OD2-NE2 3.25Å
27L92.1Very high94.2Very high63 Ų6356 Ų5633%0.3327%0.269SS..THydrogen-bonded Turntrans-100.1-4.2171.8-61.5-175.8000112.7V24 R29 L52 V54 W58V24-L27 HydrophobicContact CB-CB 4.46Å; V24-L27 HydrophobicContact CG1-CB 4Å; V24-L27 HydrophobicContact CG1-CD1 4.14Å; V24-L27 HydrophobicContact CG1-CG 4.03Å; V24-L27 PolarHBondContact O-N 2.96Å; L27-R29 HydrophobicContact CB-CB 4.17Å; L27-R29 PolarHBondContact O-N 2.81Å; L27-R29 VanDerWaalsContact O-N 3.16Å; L27-L52 HydrophobicContact CD1-CD2 4.28Å; L27-V54 HydrophobicContact CD1-CG2 4.27Å; L27-W58 HydrophobicContact CD1-CH2 3.75Å; L27-W58 HydrophobicContact CD1-CZ2 4.27Å; L27-W58 HydrophobicContact CG-CH2 4.29Å
28H93.2Very high94.4Very high156 Ų15661.4 Ų61.472%0.72229%0.292SS*.THydrogen-bonded Turntrans46.740.6-172.4-60.4-58.9000113.1V24 T25V24-H28 WeakPolarHBondContact O-CA 3.33Å; V24-H28 PolarHBondContact O-N 3.07Å; T25-H28 PolarHBondContact O-CE1 3.16Å; T25-H28 PolarHBondContact O-ND1 2.95Å; T25-H28 VanDerWaalsContact O-ND1 3.14Å
29R93.8Very high94.5Very high118 Ų11860.3 Ų60.345%0.44529%0.289SS..EExtended strand (participates in β ladder)trans-121.2131-171.9-174.7176.8177.6-172.3-1.2111.2V24 L27 V31V24-R29 PolarHBondContact N-O 3.3Å; V24-R29 PolarHBondContact O-N 3.37Å; L27-R29 HydrophobicContact CB-CB 4.17Å; L27-R29 PolarHBondContact O-N 2.81Å; L27-R29 VanDerWaalsContact O-N 3.16Å; R29-V31 HydrophobicContact CG-CG2 4.42Å
30D95.2Very high94.7Very high122 Ų12259.9 Ų59.965%0.65229%0.287SS*.EExtended strand (participates in β ladder)trans-86.8135.6170.6-68.2-33.2000111.1H23H23-D30 WeakPolarHBondContact CB-OD1 3.36Å; H23-D30 IonicContact CE1-OD1 3.6Å; H23-D30 IonicContact CG-OD1 2.63Å; H23-D30 IonicContact ND1-OD1 4Å; H23-D30 PolarHBondContact ND1-OD1 3.21Å
31V95.5Very high94.8Very high8 Ų859.9 Ų59.95%0.04829%0.287CS..EExtended strand (participates in β ladder)trans-130.5137.1177-173.20000108.9M22 V24 R29 L33 L48 K51 L52M22-V31 PolarHBondContact N-O 2.65Å; M22-V31 PolarHBondContact O-N 3.37Å; V24-V31 HydrophobicContact CG2-CG2 4.26Å; R29-V31 HydrophobicContact CG-CG2 4.42Å; V31-L33 HydrophobicContact CG1-CD2 4.41Å; V31-L48 HydrophobicContact CB-CD1 3.71Å; V31-L48 HydrophobicContact CG1-CD1 3.73Å; V31-L48 HydrophobicContact CG2-CD1 4.06Å; V31-K51 HydrophobicContact CG1-CD 3.69Å; V31-K51 HydrophobicContact CG1-CG 4.14Å; V31-L52 HydrophobicContact CG2-CD2 3.71Å; V31-L52 HydrophobicContact CG2-CG 4.44Å
32S95.2Very high94.8Very high40 Ų4055 Ų5528%0.2827%0.27SS..EExtended strand (participates in β ladder)trans-115.1132.1172.6-58.40000109.8L20 K51L20-S32 VanDerWaalsContact O-CA 3.31Å; L20-S32 WeakPolarHBondContact O-CA 3.48Å; S32-K51 PolarHBondContact O-NZ 3.18Å
33L95Very high94.8Very high12 Ų1255.2 Ų55.26%0.06327%0.273CS..EExtended strand (participates in β ladder)trans-119.7135.4178.1-65.7176.6000109.8E19 L20 M22 V31 V35 V44 K47 L48 K51E19-L33 WeakPolarHBondContact CA-O 3.47Å; L20-L33 PolarHBondContact N-O 2.68Å; L20-L33 PolarHBondContact O-N 3.01Å; M22-L33 HydrophobicContact SD-CD1 4.17Å; V31-L33 HydrophobicContact CG1-CD2 4.41Å; L33-V35 HydrophobicContact CB-CG1 4.1Å; L33-V44 HydrophobicContact CD1-CG1 4.29Å; L33-K47 HydrophobicContact CD1-CB 4.1Å; L33-K47 HydrophobicContact CD2-CB 4.48Å; L33-L48 HydrophobicContact CD1-CB 4.03Å; L33-L48 HydrophobicContact CD1-CD1 4.37Å; L33-K51 HydrophobicContact CD2-CB 4.26Å; L33-K51 HydrophobicContact CD2-CD 3.52Å
34R94Very high94.7Very high159 Ų15952.7 Ų52.760%0.626%0.261SS*.EExtended strand (participates in β ladder)trans-81.1121170.1-175.9158.2-77.8-162.3-1.8109.4T17 W18T17-R34 HydrophobicContact CG2-CG 4.38Å; T17-R34 WeakPolarHBondContact OG1-CD 3.34Å; W18-R34 WeakPolarHBondContact O-CA 3.45Å
35V95Very high94.7Very high3 Ų354.5 Ų54.52%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-137.5162.5-171.5-63.80000111.4T17 W18 L20 L33 I39 L79T17-V35 CarbonylContact C-O 3.54Å; T17-V35 WeakPolarHBondContact CA-O 3.22Å; W18-V35 HydrophobicContact CD2-CG2 3.92Å; W18-V35 HydrophobicContact CE3-CG2 3.9Å; W18-V35 HydrophobicContact CH2-CG2 3.82Å; W18-V35 HydrophobicContact CZ2-CG2 3.81Å; W18-V35 HydrophobicContact CZ3-CG2 3.89Å; W18-V35 PolarHBondContact N-O 2.64Å; W18-V35 PolarHBondContact O-N 2.95Å; L20-V35 HydrophobicContact CB-CG1 4.49Å; L20-V35 HydrophobicContact CB-CG2 3.74Å; L33-V35 HydrophobicContact CB-CG1 4.1Å; V35-I39 HydrophobicContact CB-CG2 4.03Å; V35-I39 HydrophobicContact CG1-CD1 4.31Å; V35-I39 HydrophobicContact CG1-CG2 4.27Å; V35-L79 HydrophobicContact CB-CD1 4.19Å; V35-L79 HydrophobicContact CG2-CD1 3.8Å
36T94.6Very high94.8Very high53 Ų5358.2 Ų58.233%0.32529%0.288SS..  trans-109.9162.2165.658.50000109.3T17 E38 I39T17-T36 HydrophobicContact CG2-CG2 3.67Å; T36-E38 PolarHBondContact O-N 2.8Å; T36-I39 VanDerWaalsContact O-CG2 3.25Å; T36-I39 WeakPolarHBondContact O-CG2 3.47Å; T36-I39 PolarHBondContact O-N 2.78Å
37G92.3Very high95.2Very high9 Ų960.6 Ų60.69%0.09330%0.296CS..THydrogen-bonded Turntrans-60.4-25.1176.700000114.5I39 L79 D80G37-I39 PolarHBondContact O-N 3.24Å; G37-L79 PolarHBondContact O-N 2.94Å; G37-D80 VanDerWaalsContact C-CG 3.5Å; G37-D80 VanDerWaalsContact C-OD2 3.27Å; G37-D80 VanDerWaalsContact CA-CG 3.42Å; G37-D80 VanDerWaalsContact CA-OD1 3.26Å; G37-D80 WeakPolarHBondContact CA-OD1 3.49Å; G37-D80 WeakPolarHBondContact CA-OD2 3.41Å; G37-D80 PolarHBondContact O-N 2.92Å
38E94.6Very high95.3Very high155 Ų15557.6 Ų57.672%0.72428%0.281SS*.THydrogen-bonded Turntrans-78.3-13.7-179.5-60.9-176.8166.200114.2T36 H40 T78T36-E38 PolarHBondContact O-N 2.8Å; E38-H40 PolarHBondContact O-N 2.97Å; E38-T78 VanDerWaalsContact O-CG2 3.24Å; E38-T78 WeakPolarHBondContact O-CG2 3.42Å
39I95.9Very high95.4Very high18 Ų1852.2 Ų52.29%0.09226%0.259CS..  trans-64.2135.8178.5-161173.5000109.9V35 T36 G37 V44 K47 T78 L79V35-I39 HydrophobicContact CB-CG2 4.03Å; V35-I39 HydrophobicContact CG1-CD1 4.31Å; V35-I39 HydrophobicContact CG1-CG2 4.27Å; T36-I39 VanDerWaalsContact O-CG2 3.25Å; T36-I39 WeakPolarHBondContact O-CG2 3.47Å; T36-I39 PolarHBondContact O-N 2.78Å; G37-I39 PolarHBondContact O-N 3.24Å; I39-V44 HydrophobicContact CD1-CG2 4.09Å; I39-V44 HydrophobicContact CG1-CG2 4.25Å; I39-V44 HydrophobicContact CG2-CG2 3.56Å; I39-K47 HydrophobicContact CD1-CD 3.94Å; I39-T78 CarbonylContact O-C 3.53Å; I39-T78 VanDerWaalsContact O-CA 3.31Å; I39-T78 WeakPolarHBondContact O-CA 3.18Å; I39-L79 HydrophobicContact CG2-CD1 3.37Å; I39-L79 HydrophobicContact CG2-CG 3.68Å; I39-L79 PolarHBondContact O-N 2.86Å
40H97.3Very high95.4Very high90 Ų9053.4 Ų53.442%0.41727%0.269SS..BIsolated β-bridgetrans-80.1151.7175.858.9-82.4000111.2E38 G42 G43 V44 W77E38-H40 PolarHBondContact O-N 2.97Å; H40-G42 VanDerWaalsContact C-N 3.29Å; H40-G42 PolarHBondContact O-N 3.3Å; H40-G43 PolarHBondContact CD2-N 3.38Å; H40-G43 WeakPolarHBondContact NE2-CA 3.24Å; H40-G43 PolarHBondContact NE2-N 3.2Å; H40-G43 VanDerWaalsContact NE2-N 3.1Å; H40-G43 WeakPolarHBondContact O-CA 3.08Å; H40-G43 PolarHBondContact O-N 2.77Å; H40-V44 PolarHBondContact O-N 2.98Å; H40-V44 VanDerWaalsContact O-N 3.09Å; H40-W77 CarbonylContact C-O 3.52Å; H40-W77 VanDerWaalsContact CA-O 3.24Å; H40-W77 WeakPolarHBondContact CA-O 3.32Å
41I97.4Very high95.3Very high0 Ų053 Ų530%026%0.262CS..Hα-helixtrans-54.4-42.9-178.5-65.7-55.3000112.4G43 V44 M45 L63 L72 T75 W77 L79 Y82 I84I41-G43 VanDerWaalsContact C-N 3.26Å; I41-G43 PolarHBondContact O-N 3.23Å; I41-V44 WeakPolarHBondContact O-CB 2.99Å; I41-V44 PolarHBondContact O-N 2.99Å; I41-V44 VanDerWaalsContact O-N 3.15Å; I41-M45 HydrophobicContact CG2-SD 4.13Å; I41-M45 WeakPolarHBondContact O-CG 3.06Å; I41-M45 PolarHBondContact O-N 2.89Å; I41-L63 HydrophobicContact CD1-CD1 4.45Å; I41-L63 HydrophobicContact CG2-CD1 3.95Å; I41-L72 HydrophobicContact CD1-CB 4.19Å; I41-L72 HydrophobicContact CD1-CD1 3.9Å; I41-L72 HydrophobicContact CG1-CB 4.32Å; I41-L72 HydrophobicContact CG2-CB 4.3Å; I41-L72 WeakPolarHBondContact CG2-O 3.47Å; I41-T75 PolarHBondContact N-O 2.65Å; I41-W77 WeakPolarHBondContact CG1-O 3.3Å; I41-W77 PolarHBondContact N-O 2.84Å; I41-L79 HydrophobicContact CD1-CD2 3.68Å; I41-Y82 HydrophobicContact CD1-CD2 4.08Å; I41-Y82 HydrophobicContact CD1-CE2 4.34Å; I41-Y82 HydrophobicContact CG1-CD2 3.88Å; I41-Y82 HydrophobicContact CG1-CE2 3.71Å; I41-I84 HydrophobicContact CD1-CD1 4.34Å
42G96.2Very high95.2Very high14 Ų1453 Ų5314%0.14426%0.261CS..Hα-helixtrans-59.8-37176.600000112.8H40 M45 L46 T75H40-G42 VanDerWaalsContact C-N 3.29Å; H40-G42 PolarHBondContact O-N 3.3Å; G42-M45 PolarHBondContact O-N 3.11Å; G42-L46 WeakPolarHBondContact O-CG 3.23Å; G42-L46 PolarHBondContact O-N 3.11Å; G42-T75 PolarHBondContact N-O 3.47Å
43G96.6Very high95Very high8 Ų858 Ų588%0.08229%0.285CS..Hα-helixtrans-70.9-33.5177.500000112.3H40 I41 K47H40-G43 PolarHBondContact CD2-N 3.38Å; H40-G43 WeakPolarHBondContact NE2-CA 3.24Å; H40-G43 PolarHBondContact NE2-N 3.2Å; H40-G43 VanDerWaalsContact NE2-N 3.1Å; H40-G43 WeakPolarHBondContact O-CA 3.08Å; H40-G43 PolarHBondContact O-N 2.77Å; I41-G43 VanDerWaalsContact C-N 3.26Å; I41-G43 PolarHBondContact O-N 3.23Å; G43-K47 WeakPolarHBondContact O-CB 3.37Å; G43-K47 WeakPolarHBondContact O-CG 3.35Å; G43-K47 PolarHBondContact O-N 2.98Å
44V96.7Very high94.9Very high0 Ų060.2 Ų60.20%030%0.299CS..Hα-helixtrans-63.5-46.1170.4178.30000110.5L20 M22 L33 I39 H40 I41 K47 L48 L63 L79L20-V44 HydrophobicContact CD2-CG1 3.83Å; M22-V44 HydrophobicContact CE-CG1 4.31Å; M22-V44 HydrophobicContact SD-CG1 3.69Å; L33-V44 HydrophobicContact CD1-CG1 4.29Å; I39-V44 HydrophobicContact CD1-CG2 4.09Å; I39-V44 HydrophobicContact CG1-CG2 4.25Å; I39-V44 HydrophobicContact CG2-CG2 3.56Å; H40-V44 PolarHBondContact O-N 2.98Å; H40-V44 VanDerWaalsContact O-N 3.09Å; I41-V44 WeakPolarHBondContact O-CB 2.99Å; I41-V44 PolarHBondContact O-N 2.99Å; I41-V44 VanDerWaalsContact O-N 3.15Å; V44-K47 PolarHBondContact O-N 3.36Å; V44-L48 WeakPolarHBondContact O-CB 3.39Å; V44-L48 PolarHBondContact O-N 3.07Å; V44-L63 HydrophobicContact CB-CD1 4.46Å; V44-L63 HydrophobicContact CG1-CD1 4.11Å; V44-L79 HydrophobicContact CG2-CD1 4.29Å; V44-L79 HydrophobicContact CG2-CD2 4.27Å; V44-L79 HydrophobicContact CG2-CG 4.39Å
45M96.4Very high94.6Very high38 Ų3863.1 Ų63.119%0.18732%0.316CS..Hα-helixtrans-62-43.8178.1-66.8169.167.800111.9I41 G42 L48 V49 H61 L63 F92I41-M45 HydrophobicContact CG2-SD 4.13Å; I41-M45 WeakPolarHBondContact O-CG 3.06Å; I41-M45 PolarHBondContact O-N 2.89Å; G42-M45 PolarHBondContact O-N 3.11Å; M45-L48 WeakPolarHBondContact O-CB 3.35Å; M45-L48 PolarHBondContact O-N 3.49Å; M45-V49 WeakPolarHBondContact O-CG2 3.46Å; M45-V49 PolarHBondContact O-N 2.57Å; M45-H61 VanDerWaalsContact CE-O 3.28Å; M45-H61 WeakPolarHBondContact CE-O 3.34Å; M45-L63 HydrophobicContact CG-CD1 4.22Å; M45-L63 HydrophobicContact CG-CG 4.16Å; M45-F92 HydrophobicContact CE-CE2 4.02Å; M45-F92 HydrophobicContact CG-CE2 4.21Å
46L95.4Very high94.3Very high111 Ų11167.5 Ų67.558%0.58134%0.335SS*.Hα-helixtrans-60.8-51.3176.5-71.9172.1000111.8G42 L48 V49 E50G42-L46 WeakPolarHBondContact O-CG 3.23Å; G42-L46 PolarHBondContact O-N 3.11Å; L46-L48 PolarHBondContact O-N 3.14Å; L46-V49 PolarHBondContact O-N 3.28Å; L46-E50 WeakPolarHBondContact O-CG 3.28Å; L46-E50 PolarHBondContact O-N 2.75Å
47K95.9Very high94.1Very high96 Ų9670.4 Ų70.442%0.41735%0.348SS..Hα-helixtrans-59.4-34.5176.8-75.7-175.5176.9-174.40112.7L33 I39 G43 V44 K51L33-K47 HydrophobicContact CD1-CB 4.1Å; L33-K47 HydrophobicContact CD2-CB 4.48Å; I39-K47 HydrophobicContact CD1-CD 3.94Å; G43-K47 WeakPolarHBondContact O-CB 3.37Å; G43-K47 WeakPolarHBondContact O-CG 3.35Å; G43-K47 PolarHBondContact O-N 2.98Å; V44-K47 PolarHBondContact O-N 3.36Å; K47-K51 VanDerWaalsContact O-CB 3.29Å; K47-K51 WeakPolarHBondContact O-CB 3.49Å; K47-K51 PolarHBondContact O-N 2.98Å; K47-K51 VanDerWaalsContact O-N 3.07Å
48L95.6Very high94.1Very high0 Ų071.3 Ų71.30%035%0.349CS..Hα-helixtrans-65.4-50.6176-178.574.1000111.2M22 V24 V31 L33 V44 M45 L46 E50 K51 L52 F92M22-L48 HydrophobicContact CE-CB 4.24Å; M22-L48 HydrophobicContact CE-CD1 3.77Å; M22-L48 HydrophobicContact CE-CD2 3.35Å; M22-L48 HydrophobicContact CE-CG 3.96Å; M22-L48 HydrophobicContact SD-CD1 4.33Å; V24-L48 HydrophobicContact CG2-CD1 4.43Å; V24-L48 HydrophobicContact CG2-CD2 4.36Å; V31-L48 HydrophobicContact CB-CD1 3.71Å; V31-L48 HydrophobicContact CG1-CD1 3.73Å; V31-L48 HydrophobicContact CG2-CD1 4.06Å; L33-L48 HydrophobicContact CD1-CB 4.03Å; L33-L48 HydrophobicContact CD1-CD1 4.37Å; V44-L48 WeakPolarHBondContact O-CB 3.39Å; V44-L48 PolarHBondContact O-N 3.07Å; M45-L48 WeakPolarHBondContact O-CB 3.35Å; M45-L48 PolarHBondContact O-N 3.49Å; L46-L48 PolarHBondContact O-N 3.14Å; L48-E50 VanDerWaalsContact C-N 3.35Å; L48-K51 PolarHBondContact O-N 3.47Å; L48-L52 HydrophobicContact CD2-CD1 4.45Å; L48-L52 HydrophobicContact CG-CD1 4.06Å; L48-L52 HydrophobicContact CG-CG 4.5Å; L48-L52 WeakPolarHBondContact O-CG 3.29Å; L48-L52 PolarHBondContact O-N 3.17Å; L48-F92 HydrophobicContact CD2-CB 3.74Å; L48-F92 HydrophobicContact CD2-CD1 3.24Å; L48-F92 HydrophobicContact CD2-CD2 3.95Å; L48-F92 HydrophobicContact CD2-CE1 3.65Å; L48-F92 HydrophobicContact CD2-CE2 4.32Å; L48-F92 HydrophobicContact CD2-CG 3.37Å; L48-F92 HydrophobicContact CD2-CZ 4.17Å
49V94.3Very high93.8Very high43 Ų4368.3 Ų68.326%0.26135%0.345SS..Hα-helixtrans-63-42.7-178.9172.30000110.8M45 L46 K51 L52 D53 W58 F92M45-V49 WeakPolarHBondContact O-CG2 3.46Å; M45-V49 PolarHBondContact O-N 2.57Å; L46-V49 PolarHBondContact O-N 3.28Å; V49-K51 VanDerWaalsContact C-N 3.32Å; V49-K51 PolarHBondContact O-N 2.68Å; V49-L52 PolarHBondContact O-N 3.44Å; V49-D53 PolarHBondContact O-N 3.03Å; V49-W58 HydrophobicContact CG1-CG 4.42Å; V49-W58 HydrophobicContact CG2-CB 4.27Å; V49-W58 HydrophobicContact CG2-CD2 4.21Å; V49-W58 HydrophobicContact CG2-CG 3.86Å; V49-F92 HydrophobicContact CG2-CE1 4.5Å; V49-F92 HydrophobicContact CG2-CZ 4.45Å
50E94.1Very high93.6Very high143 Ų14369 Ų6967%0.66835%0.348SS*.Hα-helixtrans-58.2-42.3173.2-73.2173.8-177.700112.1L46 L48L46-E50 WeakPolarHBondContact O-CG 3.28Å; L46-E50 PolarHBondContact O-N 2.75Å; L48-E50 VanDerWaalsContact C-N 3.35Å
51K93.9Very high93.6Very high114 Ų11465.1 Ų65.150%0.49633%0.331SS..Hα-helixtrans-72.9-27.7179-175.6166.2-177.5168.10113.5V31 S32 L33 K47 L48 V49V31-K51 HydrophobicContact CG1-CD 3.69Å; V31-K51 HydrophobicContact CG1-CG 4.14Å; S32-K51 PolarHBondContact O-NZ 3.18Å; L33-K51 HydrophobicContact CD2-CB 4.26Å; L33-K51 HydrophobicContact CD2-CD 3.52Å; K47-K51 VanDerWaalsContact O-CB 3.29Å; K47-K51 WeakPolarHBondContact O-CB 3.49Å; K47-K51 PolarHBondContact O-N 2.98Å; K47-K51 VanDerWaalsContact O-N 3.07Å; L48-K51 PolarHBondContact O-N 3.47Å; V49-K51 VanDerWaalsContact C-N 3.32Å; V49-K51 PolarHBondContact O-N 2.68Å
52L93.2Very high93.5Very high6 Ų665.4 Ų65.43%0.03133%0.333CS..Hα-helixtrans-72-36.6176.6-75.9170.4000111.6V24 L27 V31 L48 V49 V54 W58V24-L52 HydrophobicContact CG1-CD1 4.39Å; V24-L52 HydrophobicContact CG2-CD1 4Å; V24-L52 HydrophobicContact CG2-CD2 4.25Å; L27-L52 HydrophobicContact CD1-CD2 4.28Å; V31-L52 HydrophobicContact CG2-CD2 3.71Å; V31-L52 HydrophobicContact CG2-CG 4.44Å; L48-L52 HydrophobicContact CD2-CD1 4.45Å; L48-L52 HydrophobicContact CG-CD1 4.06Å; L48-L52 HydrophobicContact CG-CG 4.5Å; L48-L52 WeakPolarHBondContact O-CG 3.29Å; L48-L52 PolarHBondContact O-N 3.17Å; V49-L52 PolarHBondContact O-N 3.44Å; L52-V54 VanDerWaalsContact C-N 3.28Å; L52-V54 WeakPolarHBondContact O-CG2 3.06Å; L52-V54 PolarHBondContact O-N 3.19Å; L52-W58 HydrophobicContact CD1-CH2 3.75Å; L52-W58 HydrophobicContact CD1-CZ2 3.85Å; L52-W58 HydrophobicContact CD1-CZ3 4.48Å
53D91.6Very high93.6Very high147 Ų14764.7 Ų64.779%0.78633%0.326SS*.THydrogen-bonded Turntrans51.243.9-178.9-165.130.4000113.2V49V49-D53 PolarHBondContact O-N 3.03Å
54V91.9Very high93.7Very high58 Ų5864.7 Ų64.735%0.35232%0.323SS..  trans-115126.6177.5-177.50000109.5L27 L52 K56 W58L27-V54 HydrophobicContact CD1-CG2 4.27Å; L52-V54 VanDerWaalsContact C-N 3.28Å; L52-V54 WeakPolarHBondContact O-CG2 3.06Å; L52-V54 PolarHBondContact O-N 3.19Å; V54-K56 HydrophobicContact CG1-CB 4.17Å; V54-K56 PolarHBondContact O-N 3.25Å; V54-W58 HydrophobicContact CB-CZ2 4.45Å
55K88.3Confident93.6Very high220 Ų22065.1 Ų65.196%0.95733%0.325SS*.  trans-72.990.3171.1-66.7-174.9-178.3-1790109.9
56K88.9Confident93.4Very high95 Ų9569.4 Ų69.441%0.41334%0.344SS..  trans-142.7153.7177.8-175.4172.3-176.1170.40109.3D26 V54 W58D26-K56 WeakPolarHBondContact OD2-CE 2.93Å; D26-K56 IonicContact OD2-NZ 2.67Å; D26-K56 PolarHBondContact OD2-NZ 3.44Å; V54-K56 HydrophobicContact CG1-CB 4.17Å; V54-K56 PolarHBondContact O-N 3.25Å; K56-W58 HydrophobicContact CB-CZ2 4.19Å; K56-W58 HydrophobicContact CD-CH2 4.35Å; K56-W58 HydrophobicContact CD-CZ2 4.39Å; K56-W58 PolarHBondContact O-NE1 3.31Å
57D89.3Confident93.2Very high113 Ų11371.2 Ų71.260%0.60435%0.347SS*.  trans-75.1122.7167.4-175.616.5000110.5S59D57-S59 VanDerWaalsContact CG-OG 3.25Å; D57-S59 WeakPolarHBondContact OD1-CB 3.33Å; D57-S59 PolarHBondContact OD1-N 3.35Å; D57-S59 PolarHBondContact OD1-OG 3.28Å; D57-S59 PolarHBondContact OD2-OG 3.48Å
58W91.7Very high93.1Very high29 Ų2972.1 Ų72.111%0.1135%0.352CS..  trans-110.56.3-179.9-60.7104.9000112.3V24 L27 V49 L52 V54 K56 D60 H61 F92V24-W58 HydrophobicContact CG1-CH2 4.07Å; V24-W58 HydrophobicContact CG1-CZ3 4.07Å; L27-W58 HydrophobicContact CD1-CH2 3.75Å; L27-W58 HydrophobicContact CD1-CZ2 4.27Å; L27-W58 HydrophobicContact CG-CH2 4.29Å; V49-W58 HydrophobicContact CG1-CG 4.42Å; V49-W58 HydrophobicContact CG2-CB 4.27Å; V49-W58 HydrophobicContact CG2-CD2 4.21Å; V49-W58 HydrophobicContact CG2-CG 3.86Å; L52-W58 HydrophobicContact CD1-CH2 3.75Å; L52-W58 HydrophobicContact CD1-CZ2 3.85Å; L52-W58 HydrophobicContact CD1-CZ3 4.48Å; V54-W58 HydrophobicContact CB-CZ2 4.45Å; K56-W58 HydrophobicContact CB-CZ2 4.19Å; K56-W58 HydrophobicContact CD-CH2 4.35Å; K56-W58 HydrophobicContact CD-CZ2 4.39Å; K56-W58 PolarHBondContact O-NE1 3.31Å; W58-D60 PolarHBondContact O-N 3.06Å; W58-H61 HydrophobicContact CE3-CB 4.32Å; W58-H61 AromaticContact CE3-CD2 3.52Å; W58-H61 AromaticContact CE3-CE1 3.63Å; W58-H61 AromaticContact CE3-CG 3.66Å; W58-H61 AromaticContact CE3-ND1 3.75Å; W58-H61 AromaticContact CE3-NE2 3.5Å; W58-H61 AromaticContact CZ3-CD2 3.59Å; W58-H61 AromaticContact CZ3-CE1 3.95Å; W58-H61 AromaticContact CZ3-NE2 3.4Å; W58-H61 WeakPolarHBondContact CZ3-NE2 3.39Å; W58-H61 PolarHBondContact O-N 3.4Å; W58-F92 HydrophobicContact CD2-CE1 4.1Å; W58-F92 HydrophobicContact CE3-CD1 4.2Å; W58-F92 AromaticContact CE3-CE1 3.35Å; W58-F92 HydrophobicContact CE3-CE1 3.35Å; W58-F92 HydrophobicContact CE3-CZ 4.09Å; W58-F92 HydrophobicContact CZ3-CD1 4.04Å; W58-F92 AromaticContact CZ3-CE1 3.62Å; W58-F92 HydrophobicContact CZ3-CE1 3.62Å
59S90.1Very high93.1Very high92 Ų9275.6 Ų75.664%0.64337%0.367SS*.THydrogen-bonded Turntrans-59.3-31.4-175.465.30000113.6D57D57-S59 VanDerWaalsContact CG-OG 3.25Å; D57-S59 WeakPolarHBondContact OD1-CB 3.33Å; D57-S59 PolarHBondContact OD1-N 3.35Å; D57-S59 PolarHBondContact OD1-OG 3.28Å; D57-S59 PolarHBondContact OD2-OG 3.48Å
60D91.8Very high93.1Very high31 Ų3175.9 Ų75.917%0.16637%0.369CS..THydrogen-bonded Turntrans-86.2-10.6178.5-170.330.2000113W58 P94 Q95 H96W58-D60 PolarHBondContact O-N 3.06Å; D60-P94 CarbonylContact O-C 3.56Å; D60-Q95 WeakPolarHBondContact O-CB 3.21Å; D60-Q95 WeakPolarHBondContact O-CG 3.18Å; D60-Q95 PolarHBondContact O-N 2.78Å; D60-Q95 PolarHBondContact O-NE2 3.27Å; D60-Q95 PolarHBondContact OD1-N 3.27Å; D60-H96 IonicContact OD1-CE1 3.85Å; D60-H96 IonicContact OD1-CG 3.99Å; D60-H96 PolarHBondContact OD1-N 3.31Å; D60-H96 IonicContact OD1-ND1 3.53Å; D60-H96 PolarHBondContact OD1-ND1 3.33Å; D60-H96 WeakPolarHBondContact OD2-CB 3.26Å; D60-H96 IonicContact OD2-CG 3.73Å; D60-H96 PolarHBondContact OD2-N 3.06Å; D60-H96 IonicContact OD2-ND1 2.68Å
61H95.4Very high93.2Very high10 Ų1069.9 Ų69.95%0.04634%0.34CS..EExtended strand (participates in β ladder)trans-84.5139.8-174.9-67.664.1000112.5D26 M45 W58 F92 T93D26-H61 IonicContact OD1-NE2 3.92Å; D26-H61 PolarHBondContact OD1-NE2 3.06Å; D26-H61 IonicContact OD2-CE1 3.49Å; D26-H61 IonicContact OD2-NE2 2.72Å; D26-H61 PolarHBondContact OD2-NE2 3.25Å; M45-H61 VanDerWaalsContact CE-O 3.28Å; M45-H61 WeakPolarHBondContact CE-O 3.34Å; W58-H61 HydrophobicContact CE3-CB 4.32Å; W58-H61 AromaticContact CE3-CD2 3.52Å; W58-H61 AromaticContact CE3-CE1 3.63Å; W58-H61 AromaticContact CE3-CG 3.66Å; W58-H61 AromaticContact CE3-ND1 3.75Å; W58-H61 AromaticContact CE3-NE2 3.5Å; W58-H61 AromaticContact CZ3-CD2 3.59Å; W58-H61 AromaticContact CZ3-CE1 3.95Å; W58-H61 AromaticContact CZ3-NE2 3.4Å; W58-H61 WeakPolarHBondContact CZ3-NE2 3.39Å; W58-H61 PolarHBondContact O-N 3.4Å; H61-F92 HydrophobicContact CB-CD1 4.3Å; H61-F92 HydrophobicContact CB-CD2 4.1Å; H61-F92 HydrophobicContact CB-CE1 3.75Å; H61-F92 HydrophobicContact CB-CE2 3.5Å; H61-F92 VanDerWaalsContact CB-CE2 3.5Å; H61-F92 HydrophobicContact CB-CG 4.49Å; H61-F92 HydrophobicContact CB-CZ 3.31Å; H61-F92 AromaticContact CD2-CE1 3.96Å; H61-T93 WeakPolarHBondContact CA-O 3.39Å
62A97.2Very high93.3Very high5 Ų564.5 Ų64.54%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-138.6166.2173.100000111.1W71 L73 T93 Q95A62-W71 HydrophobicContact CB-CE3 3.95Å; A62-W71 HydrophobicContact CB-CZ3 3.89Å; A62-L73 HydrophobicContact CB-CD2 3.86Å; A62-T93 PolarHBondContact N-O 2.78Å; A62-T93 PolarHBondContact O-N 2.93Å; A62-Q95 HydrophobicContact CB-CG 3.69Å
63L97.8Very high93.4Very high0 Ų067.8 Ų67.80%033%0.334CS..EExtended strand (participates in β ladder)trans-86.4133.4175.7-61.7175.9000111.1M22 I41 V44 M45 L72 L90 L91 F92M22-L63 HydrophobicContact CE-CD2 3.24Å; M22-L63 HydrophobicContact SD-CD2 4.42Å; I41-L63 HydrophobicContact CD1-CD1 4.45Å; I41-L63 HydrophobicContact CG2-CD1 3.95Å; V44-L63 HydrophobicContact CB-CD1 4.46Å; V44-L63 HydrophobicContact CG1-CD1 4.11Å; M45-L63 HydrophobicContact CG-CD1 4.22Å; M45-L63 HydrophobicContact CG-CG 4.16Å; L63-L72 HydrophobicContact CB-CB 4.04Å; L63-L72 HydrophobicContact CB-CD1 3.85Å; L63-L72 HydrophobicContact CB-CG 4.2Å; L63-L72 HydrophobicContact CD1-CD1 4.29Å; L63-L72 PolarHBondContact O-N 2.85Å; L63-L90 HydrophobicContact CD1-CD1 4.25Å; L63-L91 CarbonylContact C-O 3.59Å; L63-L91 WeakPolarHBondContact CA-O 3.39Å; L63-F92 HydrophobicContact CD2-CB 4.09Å; L63-F92 HydrophobicContact CD2-CD2 3.72Å; L63-F92 HydrophobicContact CD2-CG 4.33Å; L63-F92 HydrophobicContact CG-CD2 4.39Å
64W97.4Very high93.6Very high8 Ų865.2 Ų65.23%0.0332%0.316CS..EExtended strand (participates in β ladder)trans-119.2132.2174.9168.9-104.3000110.8K69 W71 L90 L91 T93 M269 E270W64-K69 VanDerWaalsContact CH2-CA 3.42Å; W64-K69 HydrophobicContact CH2-CB 3.9Å; W64-K69 VanDerWaalsContact CZ2-CA 3.46Å; W64-K69 HydrophobicContact CZ2-CB 3.96Å; W64-K69 HydrophobicContact CZ2-CG 4.41Å; W64-W71 HydrophobicContact CB-CE3 4.2Å; W64-W71 HydrophobicContact CB-CZ3 4.32Å; W64-W71 HydrophobicContact CE3-CB 4.32Å; W64-W71 AromaticContact CE3-CD1 3.58Å; W64-W71 AromaticContact CE3-CD2 3.68Å; W64-W71 HydrophobicContact CE3-CD2 3.68Å; W64-W71 AromaticContact CE3-CE2 3.8Å; W64-W71 HydrophobicContact CE3-CE3 4.38Å; W64-W71 AromaticContact CE3-CG 3.59Å; W64-W71 HydrophobicContact CE3-CG 3.59Å; W64-W71 AromaticContact CE3-NE1 3.62Å; W64-W71 AromaticContact CZ3-CD1 3.37Å; W64-W71 HydrophobicContact CZ3-CD2 4.28Å; W64-W71 AromaticContact CZ3-CG 3.84Å; W64-W71 HydrophobicContact CZ3-CG 3.84Å; W64-W71 AromaticContact CZ3-NE1 3.52Å; W64-L90 CarbonylContact O-C 3.57Å; W64-L90 WeakPolarHBondContact O-CA 3.34Å; W64-L91 HydrophobicContact CB-CB 4.23Å; W64-L91 PolarHBondContact N-O 2.73Å; W64-L91 PolarHBondContact O-N 2.8Å; W64-T93 HydrophobicContact CB-CG2 4.28Å; W64-M269 HydrophobicContact CB-CE 3.51Å; W64-M269 HydrophobicContact CB-SD 4.48Å; W64-M269 HydrophobicContact CD2-CE 3.31Å; W64-M269 HydrophobicContact CD2-SD 3.36Å; W64-M269 HydrophobicContact CE3-CE 3.69Å; W64-M269 HydrophobicContact CE3-SD 3.98Å; W64-M269 HydrophobicContact CG-CE 3.22Å; W64-M269 HydrophobicContact CG-SD 3.59Å; W64-M269 VanDerWaalsContact CG-SD 3.59Å; W64-M269 HydrophobicContact CH2-CB 4.09Å; W64-M269 HydrophobicContact CH2-SD 4.23Å; W64-M269 HydrophobicContact CZ2-CB 4.34Å; W64-M269 HydrophobicContact CZ2-CG 4.47Å; W64-M269 HydrophobicContact CZ2-SD 3.66Å; W64-M269 HydrophobicContact CZ3-CB 4.21Å; W64-M269 HydrophobicContact CZ3-CE 4.48Å; W64-M269 HydrophobicContact CZ3-SD 4.38Å; W64-M269 PolarHBondContact NE1-SD 3.45Å; W64-E270 HydrophobicContact CH2-CB 4.38Å; W64-E270 HydrophobicContact CH2-CG 3.8Å; W64-E270 HydrophobicContact CZ3-CG 3.93Å
65W96.3Very high93.8Very high9 Ų966 Ų663%0.03432%0.321CS..EExtended strand (participates in β ladder)trans-105.4100.4175-170.411.4000111.1K67 K68 K69 T70 Y82 G83 I84 A88 L90W65-K67 PolarHBondContact O-N 2.87Å; W65-K68 HydrophobicContact CD2-CB 4.01Å; W65-K68 HydrophobicContact CD2-CD 4.34Å; W65-K68 HydrophobicContact CD2-CG 3.99Å; W65-K68 HydrophobicContact CE3-CB 4Å; W65-K68 HydrophobicContact CE3-CD 3.76Å; W65-K68 HydrophobicContact CE3-CG 3.91Å; W65-K68 HydrophobicContact CG-CB 4.42Å; W65-K68 HydrophobicContact CH2-CD 3.6Å; W65-K68 HydrophobicContact CH2-CG 3.97Å; W65-K68 HydrophobicContact CZ2-CD 4.18Å; W65-K68 HydrophobicContact CZ2-CG 4.01Å; W65-K68 HydrophobicContact CZ3-CB 4.47Å; W65-K68 HydrophobicContact CZ3-CD 3.37Å; W65-K68 HydrophobicContact CZ3-CG 3.92Å; W65-K68 PolarHBondContact O-N 2.85Å; W65-K69 WeakPolarHBondContact O-CA 3.28Å; W65-K69 PolarHBondContact O-N 3.41Å; W65-T70 PolarHBondContact N-O 2.83Å; W65-T70 PolarHBondContact O-N 3.01Å; W65-Y82 WeakPolarHBondContact CZ3-O 3.29Å; W65-G83 WeakPolarHBondContact CH2-O 3.47Å; W65-I84 HydrophobicContact CD2-CG1 4.48Å; W65-I84 HydrophobicContact CE3-CD1 4.5Å; W65-I84 HydrophobicContact CE3-CG1 3.84Å; W65-I84 HydrophobicContact CH2-CG1 4.1Å; W65-I84 HydrophobicContact CZ3-CG1 3.6Å; W65-A88 HydrophobicContact CZ2-CB 4.14Å; W65-L90 HydrophobicContact CB-CD2 3.62Å; W65-L90 HydrophobicContact CD2-CD2 4.39Å; W65-L90 HydrophobicContact CG-CD2 3.68Å
66E91.4Very high94.1Very high127 Ų12762 Ų6259%0.59331%0.305SS*.G310 helixtrans-62.7-42.1-174-170.6178.3-156.200113.1K68 K69E66-K68 VanDerWaalsContact C-N 3.3Å; E66-K68 PolarHBondContact O-N 2.88Å; E66-K69 WeakPolarHBondContact O-CG 3.5Å; E66-K69 PolarHBondContact O-N 3.23Å; E66-K69 VanDerWaalsContact O-N 3.1Å
67K92Very high94.5Very high149 Ų14960.2 Ų60.265%0.64830%0.296SS*.G310 helixtrans-59.2-38-178.6-175.5178.5177179.30112.8W65 D87W65-K67 PolarHBondContact O-N 2.87Å; K67-D87 IonicContact NZ-OD2 3.59Å; K67-D87 PolarHBondContact NZ-OD2 2.91Å
68K92.9Very high94.9Very high116 Ų11657 Ų5750%0.50428%0.28SS..G310 helixtrans-98.1-4.8176.9-70.8-158.6-175.2168.10113.7W65 E66 T70W65-K68 HydrophobicContact CD2-CB 4.01Å; W65-K68 HydrophobicContact CD2-CD 4.34Å; W65-K68 HydrophobicContact CD2-CG 3.99Å; W65-K68 HydrophobicContact CE3-CB 4Å; W65-K68 HydrophobicContact CE3-CD 3.76Å; W65-K68 HydrophobicContact CE3-CG 3.91Å; W65-K68 HydrophobicContact CG-CB 4.42Å; W65-K68 HydrophobicContact CH2-CD 3.6Å; W65-K68 HydrophobicContact CH2-CG 3.97Å; W65-K68 HydrophobicContact CZ2-CD 4.18Å; W65-K68 HydrophobicContact CZ2-CG 4.01Å; W65-K68 HydrophobicContact CZ3-CB 4.47Å; W65-K68 HydrophobicContact CZ3-CD 3.37Å; W65-K68 HydrophobicContact CZ3-CG 3.92Å; W65-K68 PolarHBondContact O-N 2.85Å; E66-K68 VanDerWaalsContact C-N 3.3Å; E66-K68 PolarHBondContact O-N 2.88Å; K68-T70 PolarHBondContact O-OG1 2.86Å
69K94.7Very high95.1Very high73 Ų7355.6 Ų55.632%0.31728%0.275SS..THydrogen-bonded Turntrans48.259.7-171.5-58.2-168.7-177.3-167.80111.9W64 W65 E66 E270 D272W64-K69 VanDerWaalsContact CH2-CA 3.42Å; W64-K69 HydrophobicContact CH2-CB 3.9Å; W64-K69 VanDerWaalsContact CZ2-CA 3.46Å; W64-K69 HydrophobicContact CZ2-CB 3.96Å; W64-K69 HydrophobicContact CZ2-CG 4.41Å; W65-K69 WeakPolarHBondContact O-CA 3.28Å; W65-K69 PolarHBondContact O-N 3.41Å; E66-K69 WeakPolarHBondContact O-CG 3.5Å; E66-K69 PolarHBondContact O-N 3.23Å; E66-K69 VanDerWaalsContact O-N 3.1Å; K69-E270 WeakPolarHBondContact O-CG 3.43Å; K69-D272 WeakPolarHBondContact CE-OD1 3.5Å; K69-D272 IonicContact NZ-OD1 3.43Å; K69-D272 PolarHBondContact NZ-OD1 3.33Å; K69-D272 IonicContact NZ-OD2 2.73Å; K69-D272 PolarHBondContact NZ-OD2 2.9Å
70T95.3Very high95.3Very high49 Ų4955.6 Ų55.630%0.30127%0.268SS..EExtended strand (participates in β ladder)trans-141.6138.1-177.3-49.40000111.9W65 K68W65-T70 PolarHBondContact N-O 2.83Å; W65-T70 PolarHBondContact O-N 3.01Å; K68-T70 PolarHBondContact O-OG1 2.86Å
71W96.8Very high95.5Very high16 Ų1659.9 Ų59.96%0.06129%0.285CS..EExtended strand (participates in β ladder)trans-81.4139.1170.5-70.597.4000111.8A62 W64 L73 T93 Q95 F115 S267 M269A62-W71 HydrophobicContact CB-CE3 3.95Å; A62-W71 HydrophobicContact CB-CZ3 3.89Å; W64-W71 HydrophobicContact CB-CE3 4.2Å; W64-W71 HydrophobicContact CB-CZ3 4.32Å; W64-W71 HydrophobicContact CE3-CB 4.32Å; W64-W71 AromaticContact CE3-CD1 3.58Å; W64-W71 AromaticContact CE3-CD2 3.68Å; W64-W71 HydrophobicContact CE3-CD2 3.68Å; W64-W71 AromaticContact CE3-CE2 3.8Å; W64-W71 HydrophobicContact CE3-CE3 4.38Å; W64-W71 AromaticContact CE3-CG 3.59Å; W64-W71 HydrophobicContact CE3-CG 3.59Å; W64-W71 AromaticContact CE3-NE1 3.62Å; W64-W71 AromaticContact CZ3-CD1 3.37Å; W64-W71 HydrophobicContact CZ3-CD2 4.28Å; W64-W71 AromaticContact CZ3-CG 3.84Å; W64-W71 HydrophobicContact CZ3-CG 3.84Å; W64-W71 AromaticContact CZ3-NE1 3.52Å; W71-L73 HydrophobicContact CB-CD1 4.25Å; W71-L73 HydrophobicContact CB-CD2 3.95Å; W71-L73 HydrophobicContact CB-CG 3.77Å; W71-L73 HydrophobicContact CE3-CD2 4.32Å; W71-L73 PolarHBondContact O-N 2.91Å; W71-T93 HydrophobicContact CH2-CG2 3.78Å; W71-T93 HydrophobicContact CZ3-CG2 3.86Å; W71-Q95 HydrophobicContact CH2-CG 4.15Å; W71-Q95 HydrophobicContact CZ3-CG 3.97Å; W71-F115 HydrophobicContact CZ2-CB 4.16Å; W71-F115 PolarHBondContact NE1-O 2.85Å; W71-F115 VanDerWaalsContact NE1-O 3.13Å; W71-S267 PolarHBondContact NE1-OG 2.88Å; W71-M269 HydrophobicContact CD2-CE 4.27Å; W71-M269 HydrophobicContact CE3-CE 4.41Å; W71-M269 HydrophobicContact CH2-CE 3.34Å; W71-M269 HydrophobicContact CZ2-CB 4.09Å; W71-M269 HydrophobicContact CZ2-CE 3.11Å; W71-M269 HydrophobicContact CZ2-CG 4.38Å; W71-M269 HydrophobicContact CZ3-CE 3.98Å
72L96.5Very high95.4Very high2 Ų261.2 Ų61.21%0.0129%0.29CS..  trans-99.967177.6-45.9177.3000110.1I41 L63 Y82 I84 L90I41-L72 HydrophobicContact CD1-CB 4.19Å; I41-L72 HydrophobicContact CD1-CD1 3.9Å; I41-L72 HydrophobicContact CG1-CB 4.32Å; I41-L72 HydrophobicContact CG2-CB 4.3Å; I41-L72 WeakPolarHBondContact CG2-O 3.47Å; L63-L72 HydrophobicContact CB-CB 4.04Å; L63-L72 HydrophobicContact CB-CD1 3.85Å; L63-L72 HydrophobicContact CB-CG 4.2Å; L63-L72 HydrophobicContact CD1-CD1 4.29Å; L63-L72 PolarHBondContact O-N 2.85Å; L72-Y82 HydrophobicContact CB-CE2 4.33Å; L72-Y82 HydrophobicContact CD2-CD1 3.5Å; L72-Y82 HydrophobicContact CD2-CD2 4.22Å; L72-Y82 HydrophobicContact CD2-CE1 3.67Å; L72-Y82 HydrophobicContact CD2-CE2 4.35Å; L72-Y82 HydrophobicContact CD2-CG 3.78Å; L72-I84 HydrophobicContact CD1-CD1 3.36Å; L72-I84 HydrophobicContact CD2-CD1 4.06Å; L72-I84 HydrophobicContact CG-CD1 4.37Å; L72-L90 HydrophobicContact CD1-CD1 3.98Å; L72-L90 HydrophobicContact CD1-CD2 4.14Å
73L95Very high95.3Very high74 Ų7462.4 Ų62.439%0.38730%0.302SS..  trans-81.4-18.1-173.9-55.3179.9000113.7A62 W71 T75A62-L73 HydrophobicContact CB-CD2 3.86Å; W71-L73 HydrophobicContact CB-CD1 4.25Å; W71-L73 HydrophobicContact CB-CD2 3.95Å; W71-L73 HydrophobicContact CB-CG 3.77Å; W71-L73 HydrophobicContact CE3-CD2 4.32Å; W71-L73 PolarHBondContact O-N 2.91Å; L73-T75 PolarHBondContact O-N 2.77Å
74K95.7Very high95.2Very high94 Ų9462.4 Ų62.441%0.40930%0.302SS..  trans-84.487.7-177.6-58.8-179.7-175.7176.90109.6H76 W77 Y82K74-H76 PolarHBondContact O-N 2.98Å; K74-W77 HydrophobicContact CB-CB 4.15Å; K74-W77 HydrophobicContact CB-CD2 3.93Å; K74-W77 HydrophobicContact CB-CG 3.71Å; K74-W77 HydrophobicContact CD-CD2 3.53Å; K74-W77 HydrophobicContact CD-CE3 3.91Å; K74-W77 HydrophobicContact CD-CG 4.17Å; K74-W77 HydrophobicContact CD-CH2 3.81Å; K74-W77 HydrophobicContact CD-CZ2 3.38Å; K74-W77 HydrophobicContact CD-CZ3 4.03Å; K74-W77 HydrophobicContact CG-CD2 4.36Å; K74-W77 WeakPolarHBondContact O-CB 3.33Å; K74-W77 PolarHBondContact O-N 3.44Å; K74-Y82 HydrophobicContact CB-CE2 4.43Å; K74-Y82 VanDerWaalsContact CB-OH 3.31Å; K74-Y82 WeakPolarHBondContact CB-OH 3.41Å; K74-Y82 PolarHBondContact N-OH 3.01Å; K74-Y82 VanDerWaalsContact N-OH 3.16Å
75T95.3Very high94.9Very high75 Ų7568 Ų6846%0.4633%0.329SS..THydrogen-bonded Turntrans-55.9-26.7-176.255.40000114.5I41 G42 L73I41-T75 PolarHBondContact N-O 2.65Å; G42-T75 PolarHBondContact N-O 3.47Å; L73-T75 PolarHBondContact O-N 2.77Å
76H95.3Very high94.6Very high136 Ų13670.4 Ų70.463%0.6335%0.351SS*.THydrogen-bonded Turntrans-86.4-7.7178.865.7-78.3000114.2K74K74-H76 PolarHBondContact O-N 2.98Å
77W97.6Very high94.6Very high56 Ų5668.7 Ų68.721%0.21235%0.346CS..SBendtrans-81.5146.9176.4-76.519.1000110.7H40 I41 K74 K81 Y82H40-W77 CarbonylContact C-O 3.52Å; H40-W77 VanDerWaalsContact CA-O 3.24Å; H40-W77 WeakPolarHBondContact CA-O 3.32Å; I41-W77 WeakPolarHBondContact CG1-O 3.3Å; I41-W77 PolarHBondContact N-O 2.84Å; K74-W77 HydrophobicContact CB-CB 4.15Å; K74-W77 HydrophobicContact CB-CD2 3.93Å; K74-W77 HydrophobicContact CB-CG 3.71Å; K74-W77 HydrophobicContact CD-CD2 3.53Å; K74-W77 HydrophobicContact CD-CE3 3.91Å; K74-W77 HydrophobicContact CD-CG 4.17Å; K74-W77 HydrophobicContact CD-CH2 3.81Å; K74-W77 HydrophobicContact CD-CZ2 3.38Å; K74-W77 HydrophobicContact CD-CZ3 4.03Å; K74-W77 HydrophobicContact CG-CD2 4.36Å; K74-W77 WeakPolarHBondContact O-CB 3.33Å; K74-W77 PolarHBondContact O-N 3.44Å; W77-K81 HydrophobicContact CB-CD 4.16Å; W77-K81 HydrophobicContact CD2-CD 3.59Å; W77-K81 HydrophobicContact CD2-CG 4.03Å; W77-K81 VanDerWaalsContact CE2-NZ 3.28Å; W77-K81 HydrophobicContact CE3-CD 3.99Å; W77-K81 HydrophobicContact CE3-CG 3.89Å; W77-K81 HydrophobicContact CG-CD 3.67Å; W77-K81 HydrophobicContact CG-CG 4.35Å; W77-K81 HydrophobicContact CZ2-CD 4.5Å; W77-K81 HydrophobicContact CZ3-CG 4.35Å; W77-K81 VanDerWaalsContact NE1-NZ 3.16Å; W77-Y82 HydrophobicContact CB-CD2 3.89Å; W77-Y82 HydrophobicContact CB-CE2 3.52Å; W77-Y82 HydrophobicContact CD2-CE2 4.22Å; W77-Y82 HydrophobicContact CE3-CD1 4.25Å; W77-Y82 HydrophobicContact CE3-CD2 4.1Å; W77-Y82 AromaticContact CE3-CE1 3.91Å; W77-Y82 HydrophobicContact CE3-CE1 3.91Å; W77-Y82 AromaticContact CE3-CE2 3.75Å; W77-Y82 HydrophobicContact CE3-CE2 3.75Å; W77-Y82 HydrophobicContact CE3-CG 4.35Å; W77-Y82 AromaticContact CE3-CZ 3.65Å; W77-Y82 HydrophobicContact CG-CE2 4.19Å; W77-Y82 HydrophobicContact CZ3-CE1 4.26Å
78T97.3Very high94.6Very high45 Ų4561.7 Ų61.728%0.27632%0.315SS..BIsolated β-bridgetrans-80.6160.417662.90000111.7E38 I39 D80 K81 Y82E38-T78 VanDerWaalsContact O-CG2 3.24Å; E38-T78 WeakPolarHBondContact O-CG2 3.42Å; I39-T78 CarbonylContact O-C 3.53Å; I39-T78 VanDerWaalsContact O-CA 3.31Å; I39-T78 WeakPolarHBondContact O-CA 3.18Å; T78-D80 VanDerWaalsContact C-N 3.25Å; T78-D80 PolarHBondContact O-N 2.87Å; T78-K81 PolarHBondContact O-N 2.75Å; T78-K81 WeakPolarHBondContact OG1-CB 3.4Å; T78-K81 PolarHBondContact OG1-N 2.8Å; T78-Y82 PolarHBondContact O-N 2.75Å
79L96.1Very high94.7Very high0 Ų065.2 Ų65.20%033%0.326CS..Hα-helixtrans-56.8-41.9172.1-68.8-179.3000111.2W18 L20 V35 G37 I39 I41 V44 K81 Y82 G83 I84W18-L79 HydrophobicContact CH2-CD1 3.87Å; W18-L79 HydrophobicContact CZ2-CD1 3.75Å; L20-L79 HydrophobicContact CD2-CD1 4.22Å; L20-L79 HydrophobicContact CD2-CD2 4.4Å; V35-L79 HydrophobicContact CB-CD1 4.19Å; V35-L79 HydrophobicContact CG2-CD1 3.8Å; G37-L79 PolarHBondContact O-N 2.94Å; I39-L79 HydrophobicContact CG2-CD1 3.37Å; I39-L79 HydrophobicContact CG2-CG 3.68Å; I39-L79 PolarHBondContact O-N 2.86Å; I41-L79 HydrophobicContact CD1-CD2 3.68Å; V44-L79 HydrophobicContact CG2-CD1 4.29Å; V44-L79 HydrophobicContact CG2-CD2 4.27Å; V44-L79 HydrophobicContact CG2-CG 4.39Å; L79-K81 VanDerWaalsContact C-N 3.33Å; L79-K81 PolarHBondContact O-N 2.67Å; L79-Y82 CarbonylContact O-C 3.51Å; L79-Y82 PolarHBondContact O-N 2.99Å; L79-G83 PolarHBondContact O-N 3.33Å; L79-I84 HydrophobicContact CB-CB 4.22Å; L79-I84 HydrophobicContact CD2-CB 4.13Å; L79-I84 HydrophobicContact CD2-CD1 3.7Å; L79-I84 HydrophobicContact CD2-CG2 4.14Å; L79-I84 PolarHBondContact O-N 3.15Å
80D94.6Very high94.8Very high93 Ų9361.9 Ų61.950%0.49731%0.311SS..Hα-helixtrans-62.3-37.8177.3-75.4-20.2000112.7G37 T78 Y82 G83G37-D80 VanDerWaalsContact C-CG 3.5Å; G37-D80 VanDerWaalsContact C-OD2 3.27Å; G37-D80 VanDerWaalsContact CA-CG 3.42Å; G37-D80 VanDerWaalsContact CA-OD1 3.26Å; G37-D80 WeakPolarHBondContact CA-OD1 3.49Å; G37-D80 WeakPolarHBondContact CA-OD2 3.41Å; G37-D80 PolarHBondContact O-N 2.92Å; T78-D80 VanDerWaalsContact C-N 3.25Å; T78-D80 PolarHBondContact O-N 2.87Å; D80-Y82 VanDerWaalsContact C-N 3.27Å; D80-Y82 PolarHBondContact O-N 3.09Å; D80-G83 WeakPolarHBondContact O-CA 3.42Å; D80-G83 PolarHBondContact O-N 3.2Å
81K95.7Very high94.9Very high121 Ų12161.4 Ų61.453%0.52631%0.306SS..Hα-helixtrans-65.5-32.4177.6-172.6169.2-178-1790112.5W77 T78 L79 G83W77-K81 HydrophobicContact CB-CD 4.16Å; W77-K81 HydrophobicContact CD2-CD 3.59Å; W77-K81 HydrophobicContact CD2-CG 4.03Å; W77-K81 VanDerWaalsContact CE2-NZ 3.28Å; W77-K81 HydrophobicContact CE3-CD 3.99Å; W77-K81 HydrophobicContact CE3-CG 3.89Å; W77-K81 HydrophobicContact CG-CD 3.67Å; W77-K81 HydrophobicContact CG-CG 4.35Å; W77-K81 HydrophobicContact CZ2-CD 4.5Å; W77-K81 HydrophobicContact CZ3-CG 4.35Å; W77-K81 VanDerWaalsContact NE1-NZ 3.16Å; T78-K81 PolarHBondContact O-N 2.75Å; T78-K81 WeakPolarHBondContact OG1-CB 3.4Å; T78-K81 PolarHBondContact OG1-N 2.8Å; L79-K81 VanDerWaalsContact C-N 3.33Å; L79-K81 PolarHBondContact O-N 2.67Å; K81-G83 VanDerWaalsContact C-N 3.28Å
82Y93.3Very high94.9Very high37 Ų3760.7 Ų60.715%0.14530%0.304CS..Hα-helixtrans-80.8-10.5169.9-82.4-73.2000113I41 W65 L72 K74 W77 T78 L79 D80I41-Y82 HydrophobicContact CD1-CD2 4.08Å; I41-Y82 HydrophobicContact CD1-CE2 4.34Å; I41-Y82 HydrophobicContact CG1-CD2 3.88Å; I41-Y82 HydrophobicContact CG1-CE2 3.71Å; W65-Y82 WeakPolarHBondContact CZ3-O 3.29Å; L72-Y82 HydrophobicContact CB-CE2 4.33Å; L72-Y82 HydrophobicContact CD2-CD1 3.5Å; L72-Y82 HydrophobicContact CD2-CD2 4.22Å; L72-Y82 HydrophobicContact CD2-CE1 3.67Å; L72-Y82 HydrophobicContact CD2-CE2 4.35Å; L72-Y82 HydrophobicContact CD2-CG 3.78Å; K74-Y82 HydrophobicContact CB-CE2 4.43Å; K74-Y82 VanDerWaalsContact CB-OH 3.31Å; K74-Y82 WeakPolarHBondContact CB-OH 3.41Å; K74-Y82 PolarHBondContact N-OH 3.01Å; K74-Y82 VanDerWaalsContact N-OH 3.16Å; W77-Y82 HydrophobicContact CB-CD2 3.89Å; W77-Y82 HydrophobicContact CB-CE2 3.52Å; W77-Y82 HydrophobicContact CD2-CE2 4.22Å; W77-Y82 HydrophobicContact CE3-CD1 4.25Å; W77-Y82 HydrophobicContact CE3-CD2 4.1Å; W77-Y82 AromaticContact CE3-CE1 3.91Å; W77-Y82 HydrophobicContact CE3-CE1 3.91Å; W77-Y82 AromaticContact CE3-CE2 3.75Å; W77-Y82 HydrophobicContact CE3-CE2 3.75Å; W77-Y82 HydrophobicContact CE3-CG 4.35Å; W77-Y82 AromaticContact CE3-CZ 3.65Å; W77-Y82 HydrophobicContact CG-CE2 4.19Å; W77-Y82 HydrophobicContact CZ3-CE1 4.26Å; T78-Y82 PolarHBondContact O-N 2.75Å; L79-Y82 CarbonylContact O-C 3.51Å; L79-Y82 PolarHBondContact O-N 2.99Å; D80-Y82 VanDerWaalsContact C-N 3.27Å; D80-Y82 PolarHBondContact O-N 3.09Å
83G94.6Very high94.9Very high30 Ų3060.8 Ų60.831%0.30931%0.305SS..THydrogen-bonded Turntrans69.631.9-175.400000112.9W65 L79 D80 K81W65-G83 WeakPolarHBondContact CH2-O 3.47Å; L79-G83 PolarHBondContact O-N 3.33Å; D80-G83 WeakPolarHBondContact O-CA 3.42Å; D80-G83 PolarHBondContact O-N 3.2Å; K81-G83 VanDerWaalsContact C-N 3.28Å
84I95.1Very high94.9Very high0 Ų058.5 Ų58.50%029%0.294CS..  trans-83.5127.6178.6-60.8169.9000108.7W18 L20 I41 W65 L72 L79 A88W18-I84 HydrophobicContact CH2-CG2 3.97Å; L20-I84 HydrophobicContact CD1-CG2 4.23Å; I41-I84 HydrophobicContact CD1-CD1 4.34Å; W65-I84 HydrophobicContact CD2-CG1 4.48Å; W65-I84 HydrophobicContact CE3-CD1 4.5Å; W65-I84 HydrophobicContact CE3-CG1 3.84Å; W65-I84 HydrophobicContact CH2-CG1 4.1Å; W65-I84 HydrophobicContact CZ3-CG1 3.6Å; L72-I84 HydrophobicContact CD1-CD1 3.36Å; L72-I84 HydrophobicContact CD2-CD1 4.06Å; L72-I84 HydrophobicContact CG-CD1 4.37Å; L79-I84 HydrophobicContact CB-CB 4.22Å; L79-I84 HydrophobicContact CD2-CB 4.13Å; L79-I84 HydrophobicContact CD2-CD1 3.7Å; L79-I84 HydrophobicContact CD2-CG2 4.14Å; L79-I84 PolarHBondContact O-N 3.15Å; I84-A88 HydrophobicContact CG2-CB 3.55Å
85Q91.8Very high94.9Very high127 Ų12755.8 Ų55.859%0.59328%0.283SS*.  trans-125.5-178.6-178.7-61.8-177.9-200110.7W18 D87 A88W18-Q85 WeakPolarHBondContact CZ3-O 3.13Å; Q85-D87 PolarHBondContact O-N 3.34Å; Q85-D87 VanDerWaalsContact O-N 3.12Å; Q85-A88 WeakPolarHBondContact O-CB 3.33Å; Q85-A88 PolarHBondContact O-N 3.49Å
86A90.3Very high94.8Very high59 Ų5953.9 Ų53.949%0.48827%0.269SS..THydrogen-bonded Turntrans-60.5-21.3-174.600000115.8W18 A88W18-A86 HydrophobicContact CB-CB 3.88Å; W18-A86 HydrophobicContact CD2-CB 4.03Å; W18-A86 HydrophobicContact CE3-CB 3.91Å; W18-A86 HydrophobicContact CG-CB 4.03Å; A86-A88 VanDerWaalsContact C-N 3.32Å
87D90.4Very high94.7Very high91 Ų9148.3 Ų48.349%0.48724%0.243SC..THydrogen-bonded Turntrans-83.7-8.4176.975.3-42000113.1K67 Q85K67-D87 IonicContact NZ-OD2 3.59Å; K67-D87 PolarHBondContact NZ-OD2 2.91Å; Q85-D87 PolarHBondContact O-N 3.34Å; Q85-D87 VanDerWaalsContact O-N 3.12Å
88A93.4Very high94.3Very high1 Ų146.7 Ų46.71%0.00824%0.238CC..  trans-69.3137-177.600000111.6W65 I84 Q85 A86W65-A88 HydrophobicContact CZ2-CB 4.14Å; I84-A88 HydrophobicContact CG2-CB 3.55Å; Q85-A88 WeakPolarHBondContact O-CB 3.33Å; Q85-A88 PolarHBondContact O-N 3.49Å; A86-A88 VanDerWaalsContact C-N 3.32Å
89R93.9Very high94Very high191 Ų19144.6 Ų44.672%0.72123%0.225SC*.EExtended strand (participates in β ladder)trans-116.4120.6170.5-61-178.3-174.5174.50.1107.6
90L96.9Very high93.9Very high2 Ų247.4 Ų47.41%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-108.9151.7180-53.5-179.4000110.2L20 K21 M22 H23 L63 W64 W65 L72L20-L90 HydrophobicContact CD1-CD1 3.86Å; L20-L90 HydrophobicContact CD1-CG 4.07Å; L20-L90 HydrophobicContact CD2-CD1 4Å; L20-L90 HydrophobicContact CG-CD1 4.34Å; K21-L90 PolarHBondContact O-N 3.37Å; K21-L90 VanDerWaalsContact O-N 3.1Å; M22-L90 CarbonylContact C-O 3.49Å; M22-L90 VanDerWaalsContact CA-O 3.26Å; M22-L90 WeakPolarHBondContact CA-O 3.39Å; M22-L90 HydrophobicContact CG-CB 4.22Å; H23-L90 PolarHBondContact N-O 3.23Å; L63-L90 HydrophobicContact CD1-CD1 4.25Å; W64-L90 CarbonylContact O-C 3.57Å; W64-L90 WeakPolarHBondContact O-CA 3.34Å; W65-L90 HydrophobicContact CB-CD2 3.62Å; W65-L90 HydrophobicContact CD2-CD2 4.39Å; W65-L90 HydrophobicContact CG-CD2 3.68Å; L72-L90 HydrophobicContact CD1-CD1 3.98Å; L72-L90 HydrophobicContact CD1-CD2 4.14Å
91L97.3Very high93.8Very high39 Ų3943 Ų4320%0.20421%0.212CC..EExtended strand (participates in β ladder)trans-103.3137.1165.8-51.7-177.8000108.1H23 T25 L63 W64H23-L91 HydrophobicContact CB-CD2 3.75Å; H23-L91 CarbonylContact O-C 3.22Å; H23-L91 WeakPolarHBondContact O-CA 3.43Å; T25-L91 HydrophobicContact CG2-CB 4.17Å; T25-L91 HydrophobicContact CG2-CD1 4.4Å; L63-L91 CarbonylContact C-O 3.59Å; L63-L91 WeakPolarHBondContact CA-O 3.39Å; W64-L91 HydrophobicContact CB-CB 4.23Å; W64-L91 PolarHBondContact N-O 2.73Å; W64-L91 PolarHBondContact O-N 2.8Å
92F97.5Very high93.7Very high1 Ų138.4 Ų38.40%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-104.3110.4164.9-173.6-123.1000107.6M22 H23 V24 T25 M45 L48 V49 W58 H61 L63M22-F92 HydrophobicContact CE-CB 4.24Å; H23-F92 PolarHBondContact O-N 2.78Å; V24-F92 WeakPolarHBondContact CA-O 3.39Å; V24-F92 HydrophobicContact CG1-CD1 4.26Å; V24-F92 HydrophobicContact CG2-CB 4.32Å; V24-F92 HydrophobicContact CG2-CD1 4.32Å; T25-F92 PolarHBondContact N-O 2.84Å; T25-F92 PolarHBondContact OG1-O 2.86Å; M45-F92 HydrophobicContact CE-CE2 4.02Å; M45-F92 HydrophobicContact CG-CE2 4.21Å; L48-F92 HydrophobicContact CD2-CB 3.74Å; L48-F92 HydrophobicContact CD2-CD1 3.24Å; L48-F92 HydrophobicContact CD2-CD2 3.95Å; L48-F92 HydrophobicContact CD2-CE1 3.65Å; L48-F92 HydrophobicContact CD2-CE2 4.32Å; L48-F92 HydrophobicContact CD2-CG 3.37Å; L48-F92 HydrophobicContact CD2-CZ 4.17Å; V49-F92 HydrophobicContact CG2-CE1 4.5Å; V49-F92 HydrophobicContact CG2-CZ 4.45Å; W58-F92 HydrophobicContact CD2-CE1 4.1Å; W58-F92 HydrophobicContact CE3-CD1 4.2Å; W58-F92 AromaticContact CE3-CE1 3.35Å; W58-F92 HydrophobicContact CE3-CE1 3.35Å; W58-F92 HydrophobicContact CE3-CZ 4.09Å; W58-F92 HydrophobicContact CZ3-CD1 4.04Å; W58-F92 AromaticContact CZ3-CE1 3.62Å; W58-F92 HydrophobicContact CZ3-CE1 3.62Å; H61-F92 HydrophobicContact CB-CD1 4.3Å; H61-F92 HydrophobicContact CB-CD2 4.1Å; H61-F92 HydrophobicContact CB-CE1 3.75Å; H61-F92 HydrophobicContact CB-CE2 3.5Å; H61-F92 VanDerWaalsContact CB-CE2 3.5Å; H61-F92 HydrophobicContact CB-CG 4.49Å; H61-F92 HydrophobicContact CB-CZ 3.31Å; H61-F92 AromaticContact CD2-CE1 3.96Å; L63-F92 HydrophobicContact CD2-CB 4.09Å; L63-F92 HydrophobicContact CD2-CD2 3.72Å; L63-F92 HydrophobicContact CD2-CG 4.33Å; L63-F92 HydrophobicContact CG-CD2 4.39Å
93T96.6Very high93.6Very high5 Ų536.7 Ų36.73%0.03119%0.186CC..EExtended strand (participates in β ladder)trans-145.4146.2-164.1-170.40000111.2T25 H61 A62 W64 W71 K97 M269T25-T93 WeakPolarHBondContact OG1-CA 2.86Å; T25-T93 WeakPolarHBondContact OG1-CB 3.45Å; T25-T93 PolarHBondContact OG1-OG1 3.34Å; H61-T93 WeakPolarHBondContact CA-O 3.39Å; A62-T93 PolarHBondContact N-O 2.78Å; A62-T93 PolarHBondContact O-N 2.93Å; W64-T93 HydrophobicContact CB-CG2 4.28Å; W71-T93 HydrophobicContact CH2-CG2 3.78Å; W71-T93 HydrophobicContact CZ3-CG2 3.86Å; T93-K97 PolarHBondContact OG1-NZ 2.68Å; T93-M269 HydrophobicContact CG2-CE 3.85Å
94P95.6Very high93.5Very high26 Ų2635.3 Ų35.317%0.16917%0.172CC..EExtended strand (participates in β ladder)trans-56.4139.4174-23.432000111.5D60 K97D60-P94 CarbonylContact O-C 3.56Å; P94-K97 PolarHBondContact O-NZ 3.35Å
95Q94.9Very high93.2Very high37 Ų3735.9 Ų35.917%0.17318%0.175CC..SBendtrans-73.7-39.7175.3-68.6174.492.600110.4D60 A62 W71 F115 S116D60-Q95 WeakPolarHBondContact O-CB 3.21Å; D60-Q95 WeakPolarHBondContact O-CG 3.18Å; D60-Q95 PolarHBondContact O-N 2.78Å; D60-Q95 PolarHBondContact O-NE2 3.27Å; D60-Q95 PolarHBondContact OD1-N 3.27Å; A62-Q95 HydrophobicContact CB-CG 3.69Å; W71-Q95 HydrophobicContact CH2-CG 4.15Å; W71-Q95 HydrophobicContact CZ3-CG 3.97Å; Q95-F115 PolarHBondContact O-N 2.88Å; Q95-S116 PolarHBondContact OE1-OG 3.3Å
96H93.4Very high92.9Very high35 Ų3531 Ų3116%0.16215%0.152CC..EExtended strand (participates in β ladder)trans-86.2117.7178.4-63.481.6000111.5D60 K112 V113 I180D60-H96 IonicContact OD1-CE1 3.85Å; D60-H96 IonicContact OD1-CG 3.99Å; D60-H96 PolarHBondContact OD1-N 3.31Å; D60-H96 IonicContact OD1-ND1 3.53Å; D60-H96 PolarHBondContact OD1-ND1 3.33Å; D60-H96 WeakPolarHBondContact OD2-CB 3.26Å; D60-H96 IonicContact OD2-CG 3.73Å; D60-H96 PolarHBondContact OD2-N 3.06Å; D60-H96 IonicContact OD2-ND1 2.68Å; H96-K112 HydrophobicContact CB-CD 4.13Å; H96-K112 HydrophobicContact CB-CG 3.99Å; H96-K112 WeakPolarHBondContact O-CE 3.39Å; H96-V113 CarbonylContact C-O 3.59Å; H96-V113 VanDerWaalsContact CA-O 3.29Å; H96-V113 WeakPolarHBondContact CA-O 3.47Å; H96-I180 PolarHBondContact CD2-O 3.44Å; H96-I180 PolarHBondContact NE2-O 3.16Å
97K92.8Very high92.6Very high18 Ų1828.9 Ų28.98%0.07813%0.132CC..EExtended strand (participates in β ladder)trans-126.3157.4-178.9-65.3176.2164.570.90111.1T93 P94 K112 V113 F115 E275T93-K97 PolarHBondContact OG1-NZ 2.68Å; P94-K97 PolarHBondContact O-NZ 3.35Å; K97-K112 WeakPolarHBondContact O-CA 3.36Å; K97-V113 PolarHBondContact N-O 3.39Å; K97-V113 PolarHBondContact O-N 3.47Å; K97-F115 HydrophobicContact CB-CD1 4.38Å; K97-F115 HydrophobicContact CB-CD2 3.71Å; K97-F115 HydrophobicContact CB-CE1 4.26Å; K97-F115 HydrophobicContact CB-CE2 3.58Å; K97-F115 HydrophobicContact CB-CG 4.11Å; K97-F115 HydrophobicContact CB-CZ 3.86Å; K97-F115 HydrophobicContact CD-CB 4.42Å; K97-F115 HydrophobicContact CD-CD1 3.82Å; K97-F115 HydrophobicContact CD-CD2 4.45Å; K97-F115 HydrophobicContact CD-CE1 4.12Å; K97-F115 HydrophobicContact CD-CG 3.99Å; K97-F115 HydrophobicContact CG-CD2 4.4Å; K97-F115 HydrophobicContact CG-CG 4.37Å; K97-E275 HydrophobicContact CB-CB 4.25Å; K97-E275 HydrophobicContact CB-CG 4.09Å; K97-E275 HydrophobicContact CD-CB 4.25Å
98L89.3Confident92.3Very high23 Ų2326.7 Ų26.712%0.1212%0.119CC..EExtended strand (participates in β ladder)trans-71.3134.2177.4-165.955.9000110.9K110 I177 E275 N276L98-K110 HydrophobicContact CD1-CB 4.04Å; L98-K110 HydrophobicContact CD2-CD 4.49Å; L98-I177 HydrophobicContact CD1-CG2 3.76Å; L98-I177 HydrophobicContact CD2-CD1 4.46Å; L98-E275 HydrophobicContact CB-CG 4.18Å; L98-E275 PolarHBondContact N-OE1 3.26Å; L98-N276 WeakPolarHBondContact CD2-OD1 3.47Å; L98-N276 WeakPolarHBondContact CG-OD1 3.46Å; L98-N276 PolarHBondContact O-N 3.47Å
99L90.5Very high91.8Very high0 Ų027.6 Ų27.60%012%0.123CC..EExtended strand (participates in β ladder)trans-129137.4175.8-175.969.3000109.1L101 V111 V113 F115 L268 V273 D277 L279L99-L101 HydrophobicContact CD2-CD2 3.5Å; L99-L101 HydrophobicContact CD2-CG 4.03Å; L99-L101 HydrophobicContact CG-CD2 4.04Å; L99-L101 HydrophobicContact CG-CG 4.29Å; L99-V111 PolarHBondContact N-O 3.19Å; L99-V111 PolarHBondContact O-N 3.49Å; L99-V113 HydrophobicContact CB-CG2 4.19Å; L99-V113 HydrophobicContact CD2-CG2 4.11Å; L99-F115 HydrophobicContact CB-CE2 4.34Å; L99-F115 HydrophobicContact CB-CZ 4.45Å; L99-F115 HydrophobicContact CD1-CZ 4.29Å; L99-L268 HydrophobicContact CD2-CD1 4.42Å; L99-V273 HydrophobicContact CD1-CG1 4.02Å; L99-D277 WeakPolarHBondContact CD1-O 3.47Å; L99-L279 HydrophobicContact CD1-CD1 3.82Å; L99-L279 HydrophobicContact CD1-CG 4.01Å; L99-L279 HydrophobicContact CD2-CD1 4.11Å
100R93.4Very high91.3Very high60 Ų6024.8 Ų24.823%0.22612%0.116CC..EExtended strand (participates in β ladder)trans-94.9115.3171.6-69.1-170.2-68.3155.8-9.1108.9M109 K110 E163 N276 D277 V278 L279R100-M109 CarbonylContact C-O 3.59Å; R100-M109 WeakPolarHBondContact CA-O 3.5Å; R100-K110 HydrophobicContact CG-CG 4.06Å; R100-E163 IonicContact NH1-OE1 2.73Å; R100-E163 PolarHBondContact NH1-OE1 2.97Å; R100-E163 VanDerWaalsContact NH1-OE1 3.11Å; R100-N276 PolarHBondContact NE-O 2.93Å; R100-N276 PolarHBondContact NH2-O 3.08Å; R100-D277 PolarHBondContact N-O 2.69Å; R100-V278 HydrophobicContact CB-CB 4.49Å; R100-V278 HydrophobicContact CB-CG2 3.94Å; R100-V278 CarbonylContact O-C 3.53Å; R100-V278 VanDerWaalsContact O-CA 3.28Å; R100-V278 WeakPolarHBondContact O-CA 3.45Å; R100-L279 PolarHBondContact O-N 3.26Å
101L92.5Very high90.7Very high0 Ų024.7 Ų24.70%012%0.115CC..EExtended strand (participates in β ladder)trans-103.2118.4179.3-68.7177.4000110.2L99 H108 M109 V111 I126 F130 L140 L279L99-L101 HydrophobicContact CD2-CD2 3.5Å; L99-L101 HydrophobicContact CD2-CG 4.03Å; L99-L101 HydrophobicContact CG-CD2 4.04Å; L99-L101 HydrophobicContact CG-CG 4.29Å; L101-H108 CarbonylContact O-C 3.53Å; L101-H108 WeakPolarHBondContact O-CA 3.5Å; L101-M109 PolarHBondContact N-O 3.48Å; L101-M109 PolarHBondContact O-N 3.49Å; L101-V111 HydrophobicContact CD1-CB 4.18Å; L101-V111 HydrophobicContact CD1-CG2 3.94Å; L101-I126 HydrophobicContact CD1-CD1 3.87Å; L101-I126 HydrophobicContact CD1-CG1 4.15Å; L101-I126 HydrophobicContact CD1-CG2 3.71Å; L101-F130 HydrophobicContact CD1-CE2 4.26Å; L101-L140 HydrophobicContact CD2-CD2 3.62Å; L101-L279 CarbonylContact C-O 3.58Å; L101-L279 WeakPolarHBondContact CA-O 3.17Å; L101-L279 HydrophobicContact CD2-CB 4.21Å
102Q93.6Very high90.1Very high24 Ų2425.1 Ų25.111%0.11212%0.116CC..EExtended strand (participates in β ladder)trans-84.6111166.4-168.4-178.6-9.400108.7M106 K107 V278 L279 L280 L281 R282Q102-M106 PolarHBondContact NE2-SD 3.31Å; Q102-K107 CarbonylContact C-O 3.47Å; Q102-K107 WeakPolarHBondContact CA-O 3.44Å; Q102-V278 HydrophobicContact CB-CG1 4.48Å; Q102-L279 PolarHBondContact N-O 3.35Å; Q102-L280 HydrophobicContact CB-CD2 3.64Å; Q102-L280 HydrophobicContact CG-CD2 4.16Å; Q102-L281 PolarHBondContact O-N 2.88Å; Q102-R282 PolarHBondContact O-NH1 3.11Å; Q102-R282 VanDerWaalsContact O-NH1 3.11Å
103L91.9Very high89.7Confident1 Ų125.2 Ų25.21%0.00512%0.116CC..  trans-71.1166.1177.4-67.7-174.4000111.8N105 M106 K107 M109 F130 L230 L281 R282L103-N105 VanDerWaalsContact CB-OD1 3.3Å; L103-N105 WeakPolarHBondContact CB-OD1 3.17Å; L103-N105 PolarHBondContact O-N 2.95Å; L103-M106 PolarHBondContact O-N 3.13Å; L103-K107 PolarHBondContact N-O 3.49Å; L103-M109 HydrophobicContact CD1-CG 4.07Å; L103-M109 HydrophobicContact CD1-SD 3.53Å; L103-M109 VanDerWaalsContact CD1-SD 3.53Å; L103-M109 HydrophobicContact CG-CG 4.35Å; L103-M109 HydrophobicContact CG-SD 4.27Å; L103-F130 HydrophobicContact CD2-CD2 4.23Å; L103-F130 HydrophobicContact CD2-CE2 3.86Å; L103-L230 HydrophobicContact CD1-CD2 3.55Å; L103-L281 HydrophobicContact CD2-CB 4.34Å; L103-L281 HydrophobicContact CD2-CD2 3.76Å; L103-R282 PolarHBondContact O-NH1 3.43Å
104P93.4Very high89.6Confident2 Ų225.8 Ų25.81%0.01312%0.119CC..THydrogen-bonded Turntrans-55.6-31.3173.7-32.239.6000115.1M106 L281 F283 Q302 Q306P104-M106 PolarHBondContact O-N 3.09Å; P104-M106 VanDerWaalsContact O-N 3.13Å; P104-L281 VanDerWaalsContact CD-O 3.31Å; P104-L281 WeakPolarHBondContact CD-O 3.36Å; P104-L281 WeakPolarHBondContact CG-O 3.48Å; P104-F283 HydrophobicContact CG-CD2 4.43Å; P104-F283 HydrophobicContact CG-CE2 4.36Å; P104-Q302 HydrophobicContact CB-CB 4.28Å; P104-Q302 WeakPolarHBondContact CB-O 3.45Å; P104-Q302 HydrophobicContact CG-CB 4.14Å; P104-Q306 HydrophobicContact CB-CB 4.05Å
105N87.1Confident89.6Confident12 Ų1224.5 Ų24.56%0.06411%0.111CC..THydrogen-bonded Turntrans-74.111.1173.371.24.2000114.8L103 K107 Q302 E305L103-N105 VanDerWaalsContact CB-OD1 3.3Å; L103-N105 WeakPolarHBondContact CB-OD1 3.17Å; L103-N105 PolarHBondContact O-N 2.95Å; N105-K107 PolarHBondContact O-N 2.91Å; N105-K107 VanDerWaalsContact OD1-CB 3.3Å; N105-K107 WeakPolarHBondContact OD1-CB 3.35Å; N105-K107 PolarHBondContact OD1-N 3.06Å; N105-Q302 PolarHBondContact ND2-NE2 3.11Å; N105-E305 HydrophobicContact CB-CB 3.95Å; N105-E305 HydrophobicContact CB-CG 3.69Å
106M86.2Confident89.7Confident24 Ų2423.3 Ų23.312%0.11811%0.107CC..SBendtrans67.60.7-178.6-56.5-66-175.500116.3Q102 L103 P104 W309 L313Q102-M106 PolarHBondContact NE2-SD 3.31Å; L103-M106 PolarHBondContact O-N 3.13Å; P104-M106 PolarHBondContact O-N 3.09Å; P104-M106 VanDerWaalsContact O-N 3.13Å; M106-W309 HydrophobicContact CB-CZ2 4.45Å; M106-W309 HydrophobicContact CE-CB 3.61Å; M106-W309 HydrophobicContact CE-CD2 3.7Å; M106-W309 HydrophobicContact CE-CE3 4.16Å; M106-W309 HydrophobicContact CE-CG 3.43Å; M106-W309 VanDerWaalsContact CE-CG 3.43Å; M106-W309 HydrophobicContact CG-CD2 3.87Å; M106-W309 VanDerWaalsContact CG-CE2 3.46Å; M106-W309 HydrophobicContact CG-CG 4.07Å; M106-W309 HydrophobicContact CG-CZ2 3.89Å; M106-L313 HydrophobicContact CE-CD1 4.18Å
107K84.6Confident89.7Confident14 Ų1424 Ų246%0.06111%0.112CC..  trans-78.1149.3175-62.5-178.7174.2-179.50111.5Q102 L103 N105Q102-K107 CarbonylContact C-O 3.47Å; Q102-K107 WeakPolarHBondContact CA-O 3.44Å; L103-K107 PolarHBondContact N-O 3.49Å; N105-K107 PolarHBondContact O-N 2.91Å; N105-K107 VanDerWaalsContact OD1-CB 3.3Å; N105-K107 WeakPolarHBondContact OD1-CB 3.35Å; N105-K107 PolarHBondContact OD1-N 3.06Å
108H84.1Confident89.9Confident45 Ų4528.7 Ų28.721%0.20813%0.129CC..EExtended strand (participates in β ladder)trans-97.3137.2173.6-66.382.8000110.8L101L101-H108 CarbonylContact O-C 3.53Å; L101-H108 WeakPolarHBondContact O-CA 3.5Å
109M82.3Confident90.3Very high20 Ų2027.6 Ų27.610%0.09912%0.123CC..EExtended strand (participates in β ladder)trans-125.7134.6173.1-65.1-165.374.100109.9R100 L101 L103 V111 F130 L169 I178 L230R100-M109 CarbonylContact C-O 3.59Å; R100-M109 WeakPolarHBondContact CA-O 3.5Å; L101-M109 PolarHBondContact N-O 3.48Å; L101-M109 PolarHBondContact O-N 3.49Å; L103-M109 HydrophobicContact CD1-CG 4.07Å; L103-M109 HydrophobicContact CD1-SD 3.53Å; L103-M109 VanDerWaalsContact CD1-SD 3.53Å; L103-M109 HydrophobicContact CG-CG 4.35Å; L103-M109 HydrophobicContact CG-SD 4.27Å; M109-V111 HydrophobicContact CB-CG2 4.2Å; M109-F130 HydrophobicContact CB-CZ 4.26Å; M109-F130 HydrophobicContact CE-CD1 4.43Å; M109-F130 HydrophobicContact CE-CE1 3.53Å; M109-F130 HydrophobicContact CE-CZ 4.08Å; M109-F130 HydrophobicContact SD-CD1 4.31Å; M109-F130 HydrophobicContact SD-CE1 3.48Å; M109-F130 WeakPolarHBondContact SD-CE1 3.1Å; M109-F130 HydrophobicContact SD-CE2 4.5Å; M109-F130 HydrophobicContact SD-CZ 3.57Å; M109-F130 VanDerWaalsContact SD-CZ 3.57Å; M109-L169 HydrophobicContact CE-CD1 4.35Å; M109-I178 HydrophobicContact CE-CD1 3.93Å; M109-L230 HydrophobicContact SD-CD1 4.15Å; M109-L230 HydrophobicContact SD-CD2 3.98Å
110K83.9Confident90.5Very high132 Ų13227.9 Ų27.957%0.57412%0.124SC*.EExtended strand (participates in β ladder)trans-89.5119.1172.8-76.9177.3-176.3174.80108.6L98 R100L98-K110 HydrophobicContact CD1-CB 4.04Å; L98-K110 HydrophobicContact CD2-CD 4.49Å; R100-K110 HydrophobicContact CG-CG 4.06Å
111V83.8Confident90.5Very high0 Ų027.6 Ų27.60%013%0.125CC..EExtended strand (participates in β ladder)trans-132.5133.4-174.4-1750000109.5L99 L101 M109 V113 F130 I180L99-V111 PolarHBondContact N-O 3.19Å; L99-V111 PolarHBondContact O-N 3.49Å; L101-V111 HydrophobicContact CD1-CB 4.18Å; L101-V111 HydrophobicContact CD1-CG2 3.94Å; M109-V111 HydrophobicContact CB-CG2 4.2Å; V111-V113 HydrophobicContact CB-CG2 4.19Å; V111-V113 HydrophobicContact CG1-CG2 3.76Å; V111-F130 HydrophobicContact CG2-CE1 4.48Å; V111-F130 HydrophobicContact CG2-CZ 3.74Å; V111-I180 HydrophobicContact CG1-CD1 3.12Å; V111-I180 HydrophobicContact CG1-CG1 3.68Å
112K84.8Confident90.6Very high49 Ų4927.7 Ų27.721%0.21313%0.126CC..EExtended strand (participates in β ladder)trans-86.3114.5173-163.7-180-176-174.70109.1H96 K97 I177 I178 F179 I180H96-K112 HydrophobicContact CB-CD 4.13Å; H96-K112 HydrophobicContact CB-CG 3.99Å; H96-K112 WeakPolarHBondContact O-CE 3.39Å; K97-K112 WeakPolarHBondContact O-CA 3.36Å; K112-I177 HydrophobicContact CB-CG2 3.71Å; K112-I178 WeakPolarHBondContact CB-O 3.23Å; K112-I178 PolarHBondContact N-O 2.69Å; K112-F179 HydrophobicContact CD-CD1 3.76Å; K112-F179 HydrophobicContact CD-CE1 3.82Å; K112-I180 VanDerWaalsContact O-CB 3.24Å; K112-I180 WeakPolarHBondContact O-CB 3.26Å; K112-I180 PolarHBondContact O-N 3.15Å
113V89.9Confident90.7Very high2 Ų226.7 Ų26.71%0.01212%0.121CC..EExtended strand (participates in β ladder)trans-119.6150.1-173.4-175.70000109.6H96 K97 L99 V111 F115 A122 I126 L268H96-V113 CarbonylContact C-O 3.59Å; H96-V113 VanDerWaalsContact CA-O 3.29Å; H96-V113 WeakPolarHBondContact CA-O 3.47Å; K97-V113 PolarHBondContact N-O 3.39Å; K97-V113 PolarHBondContact O-N 3.47Å; L99-V113 HydrophobicContact CB-CG2 4.19Å; L99-V113 HydrophobicContact CD2-CG2 4.11Å; V111-V113 HydrophobicContact CB-CG2 4.19Å; V111-V113 HydrophobicContact CG1-CG2 3.76Å; V113-F115 HydrophobicContact CB-CE2 4.48Å; V113-F115 VanDerWaalsContact O-CD2 3.31Å; V113-F115 WeakPolarHBondContact O-CD2 3.48Å; V113-F115 PolarHBondContact O-N 3.47Å; V113-A122 HydrophobicContact CG1-CB 3.86Å; V113-I126 HydrophobicContact CG1-CD1 4.19Å; V113-I126 HydrophobicContact CG1-CG1 4.49Å; V113-I126 HydrophobicContact CG2-CD1 3.97Å; V113-I126 HydrophobicContact CG2-CG1 3.99Å; V113-L268 HydrophobicContact CG1-CD1 4.03Å
114N93Very high90.7Very high17 Ų1726.8 Ų26.89%0.09112%0.122CC..EExtended strand (participates in β ladder)trans-73.2117.3171.7-171-9.3000111.4S116 D117N114-S116 VanDerWaalsContact C-N 3.35Å; N114-S116 PolarHBondContact ND2-OG 3.09Å; N114-S116 WeakPolarHBondContact OD1-CB 3.36Å; N114-S116 PolarHBondContact OD1-N 2.89Å; N114-S116 PolarHBondContact OD1-OG 3.32Å; N114-D117 HydrophobicContact CB-CB 4.21Å; N114-D117 WeakPolarHBondContact CB-OD2 3.22Å; N114-D117 PolarHBondContact ND2-OD1 2.86Å; N114-D117 PolarHBondContact ND2-OD2 3.48Å
115F96.8Very high90.4Very high0 Ų028.2 Ų28.20%013%0.129CC..SBendtrans-86.1-5.6179.1-81.5-133.4000113.2W71 Q95 K97 L99 V113 S267 L268 M269 V273W71-F115 HydrophobicContact CZ2-CB 4.16Å; W71-F115 PolarHBondContact NE1-O 2.85Å; W71-F115 VanDerWaalsContact NE1-O 3.13Å; Q95-F115 PolarHBondContact O-N 2.88Å; K97-F115 HydrophobicContact CB-CD1 4.38Å; K97-F115 HydrophobicContact CB-CD2 3.71Å; K97-F115 HydrophobicContact CB-CE1 4.26Å; K97-F115 HydrophobicContact CB-CE2 3.58Å; K97-F115 HydrophobicContact CB-CG 4.11Å; K97-F115 HydrophobicContact CB-CZ 3.86Å; K97-F115 HydrophobicContact CD-CB 4.42Å; K97-F115 HydrophobicContact CD-CD1 3.82Å; K97-F115 HydrophobicContact CD-CD2 4.45Å; K97-F115 HydrophobicContact CD-CE1 4.12Å; K97-F115 HydrophobicContact CD-CG 3.99Å; K97-F115 HydrophobicContact CG-CD2 4.4Å; K97-F115 HydrophobicContact CG-CG 4.37Å; L99-F115 HydrophobicContact CB-CE2 4.34Å; L99-F115 HydrophobicContact CB-CZ 4.45Å; L99-F115 HydrophobicContact CD1-CZ 4.29Å; V113-F115 HydrophobicContact CB-CE2 4.48Å; V113-F115 VanDerWaalsContact O-CD2 3.31Å; V113-F115 WeakPolarHBondContact O-CD2 3.48Å; V113-F115 PolarHBondContact O-N 3.47Å; F115-S267 VanDerWaalsContact O-CB 3.28Å; F115-S267 WeakPolarHBondContact O-CB 3.3Å; F115-S267 PolarHBondContact O-OG 3.48Å; F115-L268 HydrophobicContact CB-CB 4.34Å; F115-L268 HydrophobicContact CD1-CB 3.93Å; F115-L268 HydrophobicContact CD2-CB 4.47Å; F115-L268 HydrophobicContact CD2-CD1 3.74Å; F115-L268 HydrophobicContact CE1-CB 4.38Å; F115-L268 HydrophobicContact CE2-CD1 3.85Å; F115-L268 HydrophobicContact CG-CB 3.99Å; F115-L268 HydrophobicContact CG-CD1 4.12Å; F115-L268 HydrophobicContact CZ-CD1 4.32Å; F115-M269 HydrophobicContact CB-CB 4.48Å; F115-M269 PolarHBondContact O-N 3.27Å; F115-V273 HydrophobicContact CE1-CB 4.42Å; F115-V273 HydrophobicContact CE1-CG1 3.98Å; F115-V273 HydrophobicContact CZ-CG1 4.3Å
116S95.8Very high90.4Very high12 Ų1227.6 Ų27.68%0.08413%0.126CC..SBendtrans-92.9-25.6174.881.40000113.5Q95 N114 S267Q95-S116 PolarHBondContact OE1-OG 3.3Å; N114-S116 VanDerWaalsContact C-N 3.35Å; N114-S116 PolarHBondContact ND2-OG 3.09Å; N114-S116 WeakPolarHBondContact OD1-CB 3.36Å; N114-S116 PolarHBondContact OD1-N 2.89Å; N114-S116 PolarHBondContact OD1-OG 3.32Å; S116-S267 WeakPolarHBondContact O-CB 3.48Å
117D95Very high90.6Very high49 Ų4926.5 Ų26.526%0.26212%0.12SC..SBendtrans-69.2150.1173.9-74.6-26.3000111.8N114 K121 S267N114-D117 HydrophobicContact CB-CB 4.21Å; N114-D117 WeakPolarHBondContact CB-OD2 3.22Å; N114-D117 PolarHBondContact ND2-OD1 2.86Å; N114-D117 PolarHBondContact ND2-OD2 3.48Å; D117-K121 HydrophobicContact CB-CB 4.41Å; D117-K121 HydrophobicContact CB-CG 4.22Å; D117-S267 WeakPolarHBondContact O-CA 3.3Å; D117-S267 VanDerWaalsContact O-CB 3.3Å; D117-S267 WeakPolarHBondContact O-CB 3.42Å
118R95.8Very high90.6Very high116 Ų11631.4 Ų31.444%0.43814%0.142SC..BIsolated β-bridgetrans-60.2144.3170.6-62.9-178.6177.5173.6-0.8109.7F120 K121 A122 S265 Y688R118-F120 PolarHBondContact O-N 3.26Å; R118-F120 VanDerWaalsContact O-N 3.15Å; R118-K121 WeakPolarHBondContact O-CA 3.15Å; R118-K121 WeakPolarHBondContact O-CB 3.26Å; R118-K121 PolarHBondContact O-N 2.78Å; R118-A122 PolarHBondContact O-N 3.09Å; R118-S265 WeakPolarHBondContact CD-O 3.18Å; R118-S265 WeakPolarHBondContact CG-O 3.33Å; R118-S265 PolarHBondContact NE-O 3.32Å; R118-Y688 HydrophobicContact CB-CE1 4.24Å; R118-Y688 VanDerWaalsContact CD-CE1 3.44Å; R118-Y688 VanDerWaalsContact CD-CZ 3.48Å; R118-Y688 HydrophobicContact CG-CE1 4.49Å
119V97.2Very high90.4Very high0 Ų030.6 Ų30.60%014%0.14CC..Hα-helixtrans-55.8-36.9-176.3162.50000112.4K121 A122 V123 L140 L262 S264 R266 L268V119-K121 VanDerWaalsContact C-N 3.33Å; V119-K121 PolarHBondContact O-N 2.92Å; V119-A122 PolarHBondContact O-N 2.96Å; V119-V123 HydrophobicContact CG1-CG2 4.07Å; V119-V123 WeakPolarHBondContact O-CB 3.46Å; V119-V123 WeakPolarHBondContact O-CG2 3.48Å; V119-V123 PolarHBondContact O-N 3.01Å; V119-L140 HydrophobicContact CG1-CD1 4.37Å; V119-L262 HydrophobicContact CG1-CB 4.16Å; V119-L262 HydrophobicContact CG2-CB 4.29Å; V119-L262 HydrophobicContact CG2-CD1 4.17Å; V119-S264 PolarHBondContact N-O 2.9Å; V119-R266 WeakPolarHBondContact CG2-O 3.23Å; V119-R266 PolarHBondContact N-O 3.32Å; V119-L268 HydrophobicContact CG2-CD2 3.8Å; V119-L268 HydrophobicContact CG2-CG 4.2Å
120F96.2Very high90.4Very high7 Ų729.7 Ų29.73%0.03114%0.135CC..Hα-helixtrans-57.3-45.5175.1-171.4-114.1000112.8R118 V123 S124 E136 S264 L682 E684 F687 Y688R118-F120 PolarHBondContact O-N 3.26Å; R118-F120 VanDerWaalsContact O-N 3.15Å; F120-V123 PolarHBondContact O-N 2.9Å; F120-S124 WeakPolarHBondContact O-CB 3.45Å; F120-S124 PolarHBondContact O-N 3.42Å; F120-E136 HydrophobicContact CE2-CB 3.97Å; F120-E136 HydrophobicContact CZ-CB 4.05Å; F120-S264 WeakPolarHBondContact CB-O 3.41Å; F120-S264 PolarHBondContact N-O 3.3Å; F120-L682 HydrophobicContact CE1-CD2 3.51Å; F120-L682 HydrophobicContact CE1-CG 4.19Å; F120-L682 HydrophobicContact CZ-CD1 4.19Å; F120-L682 HydrophobicContact CZ-CD2 3.55Å; F120-L682 HydrophobicContact CZ-CG 4.12Å; F120-E684 HydrophobicContact CD1-CG 4.43Å; F120-E684 HydrophobicContact CE1-CB 4.24Å; F120-E684 HydrophobicContact CE1-CG 4.02Å; F120-F687 HydrophobicContact CB-CD1 4.39Å; F120-F687 HydrophobicContact CB-CE1 4.02Å; F120-F687 AromaticContact CD1-CD1 3.88Å; F120-F687 HydrophobicContact CD1-CD1 3.88Å; F120-F687 HydrophobicContact CD1-CE1 4.26Å; F120-F687 HydrophobicContact CD1-CG 4.44Å; F120-F687 AromaticContact CD2-CD1 3.73Å; F120-F687 HydrophobicContact CD2-CD1 3.73Å; F120-F687 HydrophobicContact CD2-CD2 4.43Å; F120-F687 AromaticContact CD2-CE1 3.36Å; F120-F687 HydrophobicContact CD2-CE1 3.36Å; F120-F687 HydrophobicContact CD2-CE2 4.12Å; F120-F687 HydrophobicContact CD2-CG 4.25Å; F120-F687 AromaticContact CD2-CZ 3.57Å; F120-F687 HydrophobicContact CD2-CZ 3.57Å; F120-F687 HydrophobicContact CE1-CB 4.2Å; F120-F687 AromaticContact CE1-CD1 3.94Å; F120-F687 HydrophobicContact CE1-CD1 3.94Å; F120-F687 HydrophobicContact CE1-CG 4.04Å; F120-F687 AromaticContact CE2-CD1 3.8Å; F120-F687 HydrophobicContact CE2-CD1 3.8Å; F120-F687 AromaticContact CE2-CD2 3.81Å; F120-F687 HydrophobicContact CE2-CD2 3.81Å; F120-F687 AromaticContact CE2-CE1 3.74Å; F120-F687 HydrophobicContact CE2-CE1 3.74Å; F120-F687 AromaticContact CE2-CE2 3.74Å; F120-F687 HydrophobicContact CE2-CE2 3.74Å; F120-F687 AromaticContact CE2-CG 3.84Å; F120-F687 HydrophobicContact CE2-CG 3.84Å; F120-F687 AromaticContact CE2-CZ 3.7Å; F120-F687 HydrophobicContact CE2-CZ 3.7Å; F120-F687 AromaticContact CG-CD1 3.75Å; F120-F687 HydrophobicContact CG-CD1 3.75Å; F120-F687 AromaticContact CG-CE1 3.63Å; F120-F687 HydrophobicContact CG-CE1 3.63Å; F120-F687 HydrophobicContact CG-CZ 4.31Å; F120-F687 HydrophobicContact CZ-CB 4.1Å; F120-F687 AromaticContact CZ-CD1 3.88Å; F120-F687 HydrophobicContact CZ-CD1 3.88Å; F120-F687 AromaticContact CZ-CD2 3.96Å; F120-F687 HydrophobicContact CZ-CD2 3.96Å; F120-F687 HydrophobicContact CZ-CE1 4.31Å; F120-F687 HydrophobicContact CZ-CE2 4.36Å; F120-F687 AromaticContact CZ-CG 3.69Å; F120-F687 HydrophobicContact CZ-CG 3.69Å; F120-Y688 HydrophobicContact CB-CE1 4.02Å; F120-Y688 HydrophobicContact CD1-CE1 4.48Å
121K93.6Very high90.2Very high54 Ų5424.6 Ų24.624%0.23511%0.114CC..Hα-helixtrans-68.8-43.3178.2176.656.8176.3144.60111.3D117 R118 V119 V123 S124 D125D117-K121 HydrophobicContact CB-CB 4.41Å; D117-K121 HydrophobicContact CB-CG 4.22Å; R118-K121 WeakPolarHBondContact O-CA 3.15Å; R118-K121 WeakPolarHBondContact O-CB 3.26Å; R118-K121 PolarHBondContact O-N 2.78Å; V119-K121 VanDerWaalsContact C-N 3.33Å; V119-K121 PolarHBondContact O-N 2.92Å; K121-V123 VanDerWaalsContact C-N 3.33Å; K121-V123 PolarHBondContact O-N 3.41Å; K121-S124 WeakPolarHBondContact O-CB 3.47Å; K121-S124 PolarHBondContact O-N 2.89Å; K121-D125 WeakPolarHBondContact CE-OD2 3.46Å; K121-D125 IonicContact NZ-OD1 2.66Å; K121-D125 PolarHBondContact NZ-OD1 2.9Å; K121-D125 IonicContact NZ-OD2 3.78Å; K121-D125 PolarHBondContact NZ-OD2 2.86Å; K121-D125 PolarHBondContact O-N 2.82Å
122A94.2Very high90.4Very high2 Ų225 Ų252%0.01712%0.116CC..Hα-helixtrans-58.7-43.5174.700000111.9V113 R118 V119 D125 I126V113-A122 HydrophobicContact CG1-CB 3.86Å; R118-A122 PolarHBondContact O-N 3.09Å; V119-A122 PolarHBondContact O-N 2.96Å; A122-D125 PolarHBondContact O-N 2.79Å; A122-I126 WeakPolarHBondContact O-CD1 3.47Å; A122-I126 WeakPolarHBondContact O-CG1 3.32Å; A122-I126 PolarHBondContact O-N 3.32Å
123V96.1Very high90.6Very high2 Ų225.2 Ų25.21%0.01212%0.116CC..Hα-helixtrans-63.9-43.9174.5173.10000110.9V119 F120 K121 D125 I126 C127 L138 L140 L281V119-V123 HydrophobicContact CG1-CG2 4.07Å; V119-V123 WeakPolarHBondContact O-CB 3.46Å; V119-V123 WeakPolarHBondContact O-CG2 3.48Å; V119-V123 PolarHBondContact O-N 3.01Å; F120-V123 PolarHBondContact O-N 2.9Å; K121-V123 VanDerWaalsContact C-N 3.33Å; K121-V123 PolarHBondContact O-N 3.41Å; V123-D125 VanDerWaalsContact C-N 3.26Å; V123-D125 PolarHBondContact O-N 2.66Å; V123-I126 PolarHBondContact O-N 3.44Å; V123-C127 WeakPolarHBondContact O-CB 3.39Å; V123-C127 PolarHBondContact O-N 3.31Å; V123-C127 PolarHBondContact O-SG 3.03Å; V123-C127 VanDerWaalsContact O-SG 3.37Å; V123-L138 HydrophobicContact CG1-CB 4.21Å; V123-L140 HydrophobicContact CG2-CD1 4.18Å; V123-L140 HydrophobicContact CG2-CG 3.79Å; V123-L281 HydrophobicContact CG1-CD1 4.48Å
124S91.3Very high90.7Very high4 Ų426.3 Ų26.33%0.02812%0.121CC..Hα-helixtrans-54.5-43.9175.2-172.20000111.9F120 K121 K128F120-S124 WeakPolarHBondContact O-CB 3.45Å; F120-S124 PolarHBondContact O-N 3.42Å; K121-S124 WeakPolarHBondContact O-CB 3.47Å; K121-S124 PolarHBondContact O-N 2.89Å; S124-K128 VanDerWaalsContact O-CG 3.24Å; S124-K128 WeakPolarHBondContact O-CG 3.48Å; S124-K128 PolarHBondContact O-N 3.11Å; S124-K128 VanDerWaalsContact OG-CE 3.31Å; S124-K128 WeakPolarHBondContact OG-CE 3.23Å; S124-K128 PolarHBondContact OG-NZ 3.47Å
125D86.4Confident90.7Very high31 Ų3126.4 Ų26.417%0.16612%0.123CC..Hα-helixtrans-75.8-37.3-178.6-63.9-21.1000112.2K121 A122 V123 C127 K128 T129 I180K121-D125 WeakPolarHBondContact CE-OD2 3.46Å; K121-D125 IonicContact NZ-OD1 2.66Å; K121-D125 PolarHBondContact NZ-OD1 2.9Å; K121-D125 IonicContact NZ-OD2 3.78Å; K121-D125 PolarHBondContact NZ-OD2 2.86Å; K121-D125 PolarHBondContact O-N 2.82Å; A122-D125 PolarHBondContact O-N 2.79Å; V123-D125 VanDerWaalsContact C-N 3.26Å; V123-D125 PolarHBondContact O-N 2.66Å; D125-C127 PolarHBondContact O-N 2.99Å; D125-K128 PolarHBondContact O-N 2.85Å; D125-K128 IonicContact OD1-NZ 2.75Å; D125-K128 PolarHBondContact OD1-NZ 2.86Å; D125-T129 PolarHBondContact O-N 2.85Å; D125-T129 PolarHBondContact O-OG1 2.83Å; D125-T129 VanDerWaalsContact O-OG1 3.11Å; D125-I180 HydrophobicContact CB-CG2 3.68Å
126I88.6Confident90.6Very high0 Ų026.5 Ų26.50%012%0.123CC..Hα-helixtrans-56.8-49.2169.1-70160.8000111L101 V113 A122 V123 T129 F130 I180 L281L101-I126 HydrophobicContact CD1-CD1 3.87Å; L101-I126 HydrophobicContact CD1-CG1 4.15Å; L101-I126 HydrophobicContact CD1-CG2 3.71Å; V113-I126 HydrophobicContact CG1-CD1 4.19Å; V113-I126 HydrophobicContact CG1-CG1 4.49Å; V113-I126 HydrophobicContact CG2-CD1 3.97Å; V113-I126 HydrophobicContact CG2-CG1 3.99Å; A122-I126 WeakPolarHBondContact O-CD1 3.47Å; A122-I126 WeakPolarHBondContact O-CG1 3.32Å; A122-I126 PolarHBondContact O-N 3.32Å; V123-I126 PolarHBondContact O-N 3.44Å; I126-T129 PolarHBondContact O-N 3.48Å; I126-F130 HydrophobicContact CG2-CD2 3.69Å; I126-F130 HydrophobicContact CG2-CE2 3.54Å; I126-F130 WeakPolarHBondContact O-CD2 3.27Å; I126-F130 PolarHBondContact O-N 3.37Å; I126-I180 HydrophobicContact CG1-CD1 4.06Å; I126-L281 HydrophobicContact CG2-CD2 4.2Å
127C89.6Confident90.6Very high0 Ų025.9 Ų25.90%012%0.119CC..Hα-helixtrans-65.1-39.7-179.7-75.60000112.1V123 D125 T129 F130 N131 I132 P135V123-C127 WeakPolarHBondContact O-CB 3.39Å; V123-C127 PolarHBondContact O-N 3.31Å; V123-C127 PolarHBondContact O-SG 3.03Å; V123-C127 VanDerWaalsContact O-SG 3.37Å; D125-C127 PolarHBondContact O-N 2.99Å; C127-T129 VanDerWaalsContact C-N 3.33Å; C127-T129 PolarHBondContact O-N 2.77Å; C127-F130 CarbonylContact O-C 3.6Å; C127-F130 PolarHBondContact O-N 3.11Å; C127-N131 PolarHBondContact O-N 3.15Å; C127-I132 HydrophobicContact CB-CB 4.09Å; C127-I132 HydrophobicContact CB-CG2 4.49Å; C127-I132 PolarHBondContact O-N 2.99Å; C127-P135 HydrophobicContact CB-CB 3.71Å
128K84.1Confident90.7Very high118 Ų11823.8 Ų23.851%0.51311%0.108SC..Hα-helixtrans-59.3-45.2172.5-74.8167.7-160.4154.70111.4S124 D125 F130 N131S124-K128 VanDerWaalsContact O-CG 3.24Å; S124-K128 WeakPolarHBondContact O-CG 3.48Å; S124-K128 PolarHBondContact O-N 3.11Å; S124-K128 VanDerWaalsContact OG-CE 3.31Å; S124-K128 WeakPolarHBondContact OG-CE 3.23Å; S124-K128 PolarHBondContact OG-NZ 3.47Å; D125-K128 PolarHBondContact O-N 2.85Å; D125-K128 IonicContact OD1-NZ 2.75Å; D125-K128 PolarHBondContact OD1-NZ 2.86Å; K128-F130 VanDerWaalsContact C-N 3.31Å; K128-F130 PolarHBondContact O-N 2.84Å; K128-N131 PolarHBondContact O-N 3.34Å; K128-N131 VanDerWaalsContact O-N 3.11Å
129T80.4Confident90.8Very high27 Ų2718.3 Ų18.317%0.1669%0.087CC..Hα-helixtrans-60.8-41176.9-61.50000111.6D125 I126 C127 N131 I178 I180 L222D125-T129 PolarHBondContact O-N 2.85Å; D125-T129 PolarHBondContact O-OG1 2.83Å; D125-T129 VanDerWaalsContact O-OG1 3.11Å; I126-T129 PolarHBondContact O-N 3.48Å; C127-T129 VanDerWaalsContact C-N 3.33Å; C127-T129 PolarHBondContact O-N 2.77Å; T129-N131 VanDerWaalsContact C-N 3.27Å; T129-N131 PolarHBondContact O-N 3.42Å; T129-I178 HydrophobicContact CG2-CG2 3.7Å; T129-I180 HydrophobicContact CG2-CD1 4.11Å; T129-I180 HydrophobicContact CG2-CG1 4.27Å; T129-I180 WeakPolarHBondContact OG1-CD1 3.47Å; T129-L222 WeakPolarHBondContact O-CD1 3.39Å
130F82.2Confident90.9Very high1 Ų118.3 Ų18.30%0.0049%0.087CC..THydrogen-bonded Turntrans-83.15.3176.5-63.2-37000115L101 L103 M109 V111 I126 C127 K128 I132 L230 L281 I298L101-F130 HydrophobicContact CD1-CE2 4.26Å; L103-F130 HydrophobicContact CD2-CD2 4.23Å; L103-F130 HydrophobicContact CD2-CE2 3.86Å; M109-F130 HydrophobicContact CB-CZ 4.26Å; M109-F130 HydrophobicContact CE-CD1 4.43Å; M109-F130 HydrophobicContact CE-CE1 3.53Å; M109-F130 HydrophobicContact CE-CZ 4.08Å; M109-F130 HydrophobicContact SD-CD1 4.31Å; M109-F130 HydrophobicContact SD-CE1 3.48Å; M109-F130 WeakPolarHBondContact SD-CE1 3.1Å; M109-F130 HydrophobicContact SD-CE2 4.5Å; M109-F130 HydrophobicContact SD-CZ 3.57Å; M109-F130 VanDerWaalsContact SD-CZ 3.57Å; V111-F130 HydrophobicContact CG2-CE1 4.48Å; V111-F130 HydrophobicContact CG2-CZ 3.74Å; I126-F130 HydrophobicContact CG2-CD2 3.69Å; I126-F130 HydrophobicContact CG2-CE2 3.54Å; I126-F130 WeakPolarHBondContact O-CD2 3.27Å; I126-F130 PolarHBondContact O-N 3.37Å; C127-F130 CarbonylContact O-C 3.6Å; C127-F130 PolarHBondContact O-N 3.11Å; K128-F130 VanDerWaalsContact C-N 3.31Å; K128-F130 PolarHBondContact O-N 2.84Å; F130-I132 VanDerWaalsContact C-N 3.3Å; F130-I132 HydrophobicContact CB-CD1 3.98Å; F130-I132 HydrophobicContact CB-CG1 4.09Å; F130-I132 PolarHBondContact O-N 2.96Å; F130-L230 HydrophobicContact CB-CD1 4.42Å; F130-L230 HydrophobicContact CD1-CD1 3.81Å; F130-L230 HydrophobicContact CE1-CD1 4.4Å; F130-L230 HydrophobicContact CG-CD1 4.29Å; F130-L281 HydrophobicContact CD2-CD2 4.37Å; F130-I298 WeakPolarHBondContact O-CD1 3.47Å
131N79.9Confident90.9Very high25 Ų2518.5 Ų18.513%0.1349%0.088CC..THydrogen-bonded Turntrans51.546.7-174.6-170.935000113.5C127 K128 T129 P200 Y202 F217 I298C127-N131 PolarHBondContact O-N 3.15Å; K128-N131 PolarHBondContact O-N 3.34Å; K128-N131 VanDerWaalsContact O-N 3.11Å; T129-N131 VanDerWaalsContact C-N 3.27Å; T129-N131 PolarHBondContact O-N 3.42Å; N131-P200 VanDerWaalsContact ND2-CB 3.33Å; N131-P200 WeakPolarHBondContact ND2-CB 3.41Å; N131-P200 WeakPolarHBondContact ND2-CG 3.28Å; N131-P200 WeakPolarHBondContact OD1-CG 3.3Å; N131-Y202 PolarHBondContact ND2-OH 3.22Å; N131-F217 HydrophobicContact CB-CZ 4.49Å; N131-I298 HydrophobicContact CB-CD1 4.13Å
132I87.8Confident90.9Very high8 Ų818.9 Ų18.94%0.0419%0.088CC..  trans-103.3109.5172.2-61.9173.5000107.3C127 F130 L138 I298 R299 Q302C127-I132 HydrophobicContact CB-CB 4.09Å; C127-I132 HydrophobicContact CB-CG2 4.49Å; C127-I132 PolarHBondContact O-N 2.99Å; F130-I132 VanDerWaalsContact C-N 3.3Å; F130-I132 HydrophobicContact CB-CD1 3.98Å; F130-I132 HydrophobicContact CB-CG1 4.09Å; F130-I132 PolarHBondContact O-N 2.96Å; I132-L138 HydrophobicContact CG2-CD1 3.82Å; I132-L138 HydrophobicContact CG2-CD2 4.42Å; I132-I298 HydrophobicContact CD1-CG2 4.44Å; I132-I298 HydrophobicContact CG1-CG2 3.93Å; I132-R299 HydrophobicContact CG2-CB 4.06Å; I132-R299 HydrophobicContact CG2-CG 4.14Å; I132-Q302 HydrophobicContact CD1-CG 4.45Å
133R89.3Confident90.4Very high55 Ų5522.8 Ų22.821%0.20811%0.105CC..SBendtrans-68164.1172.1-60.7-164.7-56.11403.7111D290 D296 R299R133-D290 IonicContact CZ-OD2 3.87Å; R133-D290 IonicContact NH1-OD2 2.72Å; R133-D290 PolarHBondContact NH1-OD2 3.19Å; R133-D290 VanDerWaalsContact NH1-OD2 3.08Å; R133-D290 PolarHBondContact NH2-O 3.36Å; R133-D290 IonicContact NH2-OD2 3.42Å; R133-D290 PolarHBondContact NH2-OD2 3.34Å; R133-D290 VanDerWaalsContact NH2-OD2 3.1Å; R133-D296 IonicContact CZ-OD1 3.66Å; R133-D296 IonicContact CZ-OD2 2.85Å; R133-D296 IonicContact NE-OD1 2.67Å; R133-D296 PolarHBondContact NE-OD1 2.73Å; R133-D296 IonicContact NE-OD2 3.53Å; R133-D296 VanDerWaalsContact NH2-CG 3.34Å; R133-D296 IonicContact NH2-OD1 3.76Å; R133-D296 PolarHBondContact NH2-OD1 2.92Å; R133-D296 IonicContact NH2-OD2 3.47Å; R133-D296 PolarHBondContact NH2-OD2 2.94Å; R133-R299 WeakPolarHBondContact O-CD 3.35Å
134H91.2Very high89.5Confident25 Ų2526.3 Ų26.312%0.11613%0.128CC..  trans54.556.9177.9-56.8-70.6000113.7E136 E137 F289 R299H134-E136 VanDerWaalsContact CA-OE2 3.22Å; H134-E136 WeakPolarHBondContact CA-OE2 3.39Å; H134-E136 IonicContact CG-OE1 2.9Å; H134-E136 IonicContact ND1-OE1 2.73Å; H134-E136 PolarHBondContact ND1-OE1 3.48Å; H134-E136 PolarHBondContact O-N 2.8Å; H134-E137 HydrophobicContact CB-CG 4.3Å; H134-E137 PolarHBondContact O-N 3.4Å; H134-E137 VanDerWaalsContact O-N 3.14Å; H134-F289 AromaticContact CE1-CD1 3.45Å; H134-F289 VanDerWaalsContact CE1-CD1 3.45Å; H134-F289 WeakPolarHBondContact CE1-CD1 3.4Å; H134-F289 AromaticContact CE1-CE1 3.91Å; H134-F289 AromaticContact ND1-CD1 3.84Å; H134-F289 AromaticContact NE2-CD1 3.98Å; H134-R299 PolarHBondContact CD2-NH1 2.95Å; H134-R299 VanDerWaalsContact CD2-NH1 3.28Å
135P93.9Very high87.9Confident19 Ų1936.9 Ų36.912%0.12317%0.167CC..G310 helixtrans-59.5-21.1-177.826.8-36.6000114C127 E137 L138 L682C127-P135 HydrophobicContact CB-CB 3.71Å; P135-E137 PolarHBondContact O-N 2.96Å; P135-E137 VanDerWaalsContact O-N 3.15Å; P135-L138 PolarHBondContact O-N 2.97Å; P135-L682 HydrophobicContact CG-CD2 4.38Å
136E94.1Very high86.3Confident1 Ų139.1 Ų39.11%0.00518%0.179CC..G310 helixtrans-61.7-16.5176.866-86.5-158.800114.4F120 H134 Y285 F670 L671 R674 L682F120-E136 HydrophobicContact CE2-CB 3.97Å; F120-E136 HydrophobicContact CZ-CB 4.05Å; H134-E136 VanDerWaalsContact CA-OE2 3.22Å; H134-E136 WeakPolarHBondContact CA-OE2 3.39Å; H134-E136 IonicContact CG-OE1 2.9Å; H134-E136 IonicContact ND1-OE1 2.73Å; H134-E136 PolarHBondContact ND1-OE1 3.48Å; H134-E136 PolarHBondContact O-N 2.8Å; E136-Y285 WeakPolarHBondContact O-CD2 3.24Å; E136-Y285 WeakPolarHBondContact O-CE2 3.4Å; E136-F670 HydrophobicContact CB-CE1 3.98Å; E136-F670 HydrophobicContact CG-CE1 4.15Å; E136-L671 HydrophobicContact CB-CD2 4.5Å; E136-L671 HydrophobicContact CG-CD2 3.61Å; E136-R674 VanDerWaalsContact CD-NH2 3.28Å; E136-R674 IonicContact OE1-CZ 3.36Å; E136-R674 IonicContact OE1-NE 3.46Å; E136-R674 PolarHBondContact OE1-NE 3.24Å; E136-R674 IonicContact OE1-NH2 3.78Å; E136-R674 PolarHBondContact OE1-NH2 3.16Å; E136-R674 IonicContact OE2-NH2 2.78Å; E136-R674 PolarHBondContact OE2-NH2 3.05Å; E136-L682 HydrophobicContact CB-CD1 3.88Å; E136-L682 HydrophobicContact CG-CD1 4.06Å; E136-L682 WeakPolarHBondContact OE2-CD1 3.18Å
137E95.8Very high84.2Confident0 Ų044.5 Ų44.50%021%0.214CC..G310 helixtrans-81.8-18.1175.5-62172.5178.400112.4H134 P135 F283 K284 Y285 F288 F289 R299 L671H134-E137 HydrophobicContact CB-CG 4.3Å; H134-E137 PolarHBondContact O-N 3.4Å; H134-E137 VanDerWaalsContact O-N 3.14Å; P135-E137 PolarHBondContact O-N 2.96Å; P135-E137 VanDerWaalsContact O-N 3.15Å; E137-F283 HydrophobicContact CB-CD1 4.35Å; E137-F283 CarbonylContact O-C 3.54Å; E137-K284 PolarHBondContact O-N 3.27Å; E137-Y285 PolarHBondContact O-N 3.48Å; E137-F288 WeakPolarHBondContact OE1-CA 3.36Å; E137-F289 PolarHBondContact OE1-N 3.38Å; E137-R299 IonicContact OE1-CZ 3.41Å; E137-R299 IonicContact OE1-NH2 2.77Å; E137-R299 PolarHBondContact OE1-NH2 2.89Å; E137-R299 IonicContact OE2-CZ 2.73Å; E137-R299 IonicContact OE2-NE 3.67Å; E137-R299 PolarHBondContact OE2-NE 3.37Å; E137-R299 IonicContact OE2-NH2 3.5Å; E137-R299 PolarHBondContact OE2-NH2 3.24Å; E137-L671 HydrophobicContact CG-CD2 4.11Å
138L97.5Very high82.1Confident5 Ų554 Ų543%0.02626%0.255CS..EExtended strand (participates in β ladder)trans-107157.4-176.5-62.395.5000111.5V123 I132 P135 L281 R282 F283V123-L138 HydrophobicContact CG1-CB 4.21Å; I132-L138 HydrophobicContact CG2-CD1 3.82Å; I132-L138 HydrophobicContact CG2-CD2 4.42Å; P135-L138 PolarHBondContact O-N 2.97Å; L138-L281 HydrophobicContact CB-CD1 4.21Å; L138-L281 HydrophobicContact CD2-CD1 4.18Å; L138-L281 HydrophobicContact CD2-CD2 4.3Å; L138-L281 HydrophobicContact CD2-CG 4.04Å; L138-R282 VanDerWaalsContact CA-O 3.3Å; L138-R282 WeakPolarHBondContact CA-O 3.33Å; L138-F283 HydrophobicContact CD1-CD1 4.06Å; L138-F283 HydrophobicContact CD1-CE1 3.83Å; L138-F283 HydrophobicContact CD1-CZ 4.4Å; L138-F283 HydrophobicContact CD2-CD1 4.38Å; L138-F283 HydrophobicContact CD2-CD2 4.32Å; L138-F283 HydrophobicContact CD2-CE1 4.25Å; L138-F283 HydrophobicContact CD2-CE2 4.17Å; L138-F283 HydrophobicContact CD2-CG 4.42Å; L138-F283 HydrophobicContact CD2-CZ 4.13Å; L138-F283 HydrophobicContact CG-CD1 3.91Å; L138-F283 HydrophobicContact CG-CE1 4.04Å; L138-F283 HydrophobicContact CG-CG 4.21Å; L138-F283 HydrophobicContact CG-CZ 4.43Å
139S98.1Very high80.1Confident1 Ų152.1 Ų52.11%0.00725%0.247CC..EExtended strand (participates in β ladder)trans-156.4179.1169.2-168.20000110.3R282S139-R282 PolarHBondContact N-O 3.45Å; S139-R282 PolarHBondContact O-N 2.9Å
140L97.9Very high78.2Confident0 Ų060.5 Ų60.50%028%0.281CS..EExtended strand (participates in β ladder)trans-98.9132.3178.7-63.5174.6000110.5L101 V119 V123 L262 L268 L279 L280 L281L101-L140 HydrophobicContact CD2-CD2 3.62Å; V119-L140 HydrophobicContact CG1-CD1 4.37Å; V123-L140 HydrophobicContact CG2-CD1 4.18Å; V123-L140 HydrophobicContact CG2-CG 3.79Å; L140-L262 HydrophobicContact CB-CD1 3.83Å; L140-L262 HydrophobicContact CB-CG 4.17Å; L140-L262 HydrophobicContact CD1-CD1 4.36Å; L140-L262 PolarHBondContact O-N 3.49Å; L140-L268 HydrophobicContact CD1-CD2 3.87Å; L140-L279 HydrophobicContact CB-CD1 4.3Å; L140-L279 HydrophobicContact CD1-CD1 4Å; L140-L279 HydrophobicContact CD2-CB 4.44Å; L140-L280 WeakPolarHBondContact CA-O 3.2Å; L140-L281 HydrophobicContact CD2-CD1 4.1Å
141L96.4Very high76Confident10 Ų1070.1 Ų70.15%0.05232%0.323CS..EExtended strand (participates in β ladder)trans-120.2133.2179.4171.870.1000109.1I257 W261 L280 R282L141-I257 HydrophobicContact CD2-CG2 4.02Å; L141-W261 HydrophobicContact CB-CD2 4.27Å; L141-W261 HydrophobicContact CB-CE3 3.91Å; L141-W261 HydrophobicContact CB-CH2 4.42Å; L141-W261 HydrophobicContact CB-CZ3 3.98Å; L141-W261 HydrophobicContact CD1-CD2 3.96Å; L141-W261 HydrophobicContact CD1-CE3 4.44Å; L141-W261 HydrophobicContact CD1-CG 4.02Å; L141-L280 HydrophobicContact CB-CB 4.13Å; L141-L280 HydrophobicContact CD2-CD1 3.88Å; L141-L280 HydrophobicContact CG-CD1 4.14Å; L141-L280 PolarHBondContact N-O 3.47Å; L141-L280 WeakPolarHBondContact O-CB 3.47Å; L141-L280 PolarHBondContact O-N 2.9Å; L141-R282 HydrophobicContact CD2-CG 4.44Å
142R94.1Very high74Confident62 Ų6275 Ų7523%0.23434%0.343CS..EExtended strand (participates in β ladder)trans-68.7138.5172.6-68.1-176.2-173.3-88.1-15.1110.5P144 G260 L262 Q271 V273 L279R142-P144 WeakPolarHBondContact O-CD 3.18Å; R142-G260 WeakPolarHBondContact CG-O 3.49Å; R142-G260 PolarHBondContact N-O 2.92Å; R142-L262 HydrophobicContact CG-CD2 3.83Å; R142-L262 VanDerWaalsContact NE-CD2 3.34Å; R142-L262 VanDerWaalsContact NH2-CD2 3.29Å; R142-Q271 PolarHBondContact NH2-O 3.25Å; R142-V273 VanDerWaalsContact NH2-CG2 3.27Å; R142-L279 HydrophobicContact CG-CD2 3.97Å
143K84.8Confident71.4Confident85 Ų8584.6 Ų84.637%0.3738%0.384SS..PPolyproline II helixtrans-60.6126.9170.1-166.4171.1-178.9178.10109.2R145 L280K143-R145 PolarHBondContact O-N 2.79Å; K143-L280 HydrophobicContact CB-CD2 4.48Å
144P75.3Confident68.8Low75 Ų7589.2 Ų89.249%0.48741%0.413SS..PPolyproline II helixtrans-56.1127.3176-24.933.7000110.4R142 D146 I257R142-P144 WeakPolarHBondContact O-CD 3.18Å; P144-D146 PolarHBondContact O-N 2.83Å; P144-I257 HydrophobicContact CG-CG1 4.26Å; P144-I257 HydrophobicContact CG-CG2 4.36Å
145R59.8Low66.2Low227 Ų22791.1 Ų91.186%0.85742%0.421SS*.PPolyproline II helixtrans-80117.8177.4-70.2179.9177.1162.3-0.8109.1K143 P147K143-R145 PolarHBondContact O-N 2.79Å; R145-P147 VanDerWaalsContact O-CD 3.26Å; R145-P147 WeakPolarHBondContact O-CD 3.14Å
146D52.4Low63.4Low78 Ų7897.5 Ų97.542%0.41745%0.449SS..  trans-64.5115.7174-99.3-34.8000109.9P144 K148 K149 K247P144-D146 PolarHBondContact O-N 2.83Å; D146-K148 PolarHBondContact O-N 2.78Å; D146-K148 VanDerWaalsContact O-N 3.13Å; D146-K149 HydrophobicContact CB-CD 4.36Å; D146-K149 HydrophobicContact CB-CG 4.27Å; D146-K149 PolarHBondContact O-N 3.49Å; D146-K247 IonicContact OD1-NZ 3.8Å; D146-K247 IonicContact OD2-NZ 3.64Å; D146-K247 PolarHBondContact OD2-NZ 3Å
147P43.9Very low60.4Low113 Ų113101.4 Ų101.473%0.73448%0.482SS*.G310 helixtrans-65.4-20.2-176.222.8-31000113.2R145 K149R145-P147 VanDerWaalsContact O-CD 3.26Å; R145-P147 WeakPolarHBondContact O-CD 3.14Å; P147-K149 VanDerWaalsContact C-N 3.34Å; P147-K149 PolarHBondContact O-N 3.09Å
148K45Very low57.5Low198 Ų198107.5 Ų107.586%0.86151%0.511SS*.G310 helixtrans-74.3-18178.5-68.1-177.5-179.8176.30113.9D146D146-K148 PolarHBondContact O-N 2.78Å; D146-K148 VanDerWaalsContact O-N 3.13Å
149K43.4Very low54.7Low80 Ų80110.7 Ų110.735%0.34853%0.525SS..G310 helixtrans-85.1-3.9-176.9-73.3-172.3171.4-171.20114.9D146 P147 K151 E159D146-K149 HydrophobicContact CB-CD 4.36Å; D146-K149 HydrophobicContact CB-CG 4.27Å; D146-K149 PolarHBondContact O-N 3.49Å; P147-K149 VanDerWaalsContact C-N 3.34Å; P147-K149 PolarHBondContact O-N 3.09Å; K149-K151 PolarHBondContact O-N 2.93Å; K149-E159 IonicContact NZ-OE1 3.09Å; K149-E159 PolarHBondContact NZ-OE1 3.13Å; K149-E159 IonicContact NZ-OE2 2.68Å; K149-E159 PolarHBondContact NZ-OE2 2.88Å
150K38.8Very low51.7Low203 Ų203115.5 Ų115.588%0.88355%0.551SS**G310 helixtrans-64.5-4.3176.2-101.3-176.5177.5178.80115.1
151K37.7Very low48.7Very low203 Ų203119.9 Ų119.988%0.88358%0.581SS**G310 helixtrans-117.22.3-175.7-95.5-174.3176.6-179.60117.2K149K149-K151 PolarHBondContact O-N 2.93Å
152K36.7Very low46Very low128 Ų128124.7 Ų124.756%0.55761%0.607SS**  trans-135.6102.8173.3-88.8-176.6177-1760111.6L154 E155K152-L154 PolarHBondContact O-N 3.35Å; K152-E155 HydrophobicContact CD-CG 4.26Å; K152-E155 WeakPolarHBondContact CD-OE1 3.48Å; K152-E155 IonicContact NZ-OE1 3.89Å; K152-E155 PolarHBondContact NZ-OE1 3.35Å
153K34.3Very low43.6Very low208 Ų208124.2 Ų124.290%0.90461%0.607SS**THydrogen-bonded Turntrans-68.916.3167.2-87.3-172.8170.4-172.80114
154L34.9Very low41.5Very low153 Ų153122.9 Ų122.980%0.80160%0.604SS**THydrogen-bonded Turntrans-116.5-7-175.1-95.1142.1000113.6K152K152-L154 PolarHBondContact O-N 3.35Å
155E35.7Very low39.5Very low64 Ų64126.2 Ų126.230%0.29961%0.613SS.*SBendtrans-100.6-2.2-177.7-75.9173.6-166.600113.8K152 A157 E158 E159K152-E155 HydrophobicContact CD-CG 4.26Å; K152-E155 WeakPolarHBondContact CD-OE1 3.48Å; K152-E155 IonicContact NZ-OE1 3.89Å; K152-E155 PolarHBondContact NZ-OE1 3.35Å; E155-A157 VanDerWaalsContact C-N 3.26Å; E155-A157 PolarHBondContact O-N 3.31Å; E155-E158 PolarHBondContact O-N 2.93Å; E155-E159 PolarHBondContact O-N 2.95Å
156E34.8Very low38.2Very low153 Ų153116.1 Ų116.172%0.71558%0.579SS**Hα-helixtrans-64.5-29.1175.4-84.4176.9167.300112.4
157A31.7Very low37.2Very low83 Ų83115.7 Ų115.769%0.68658%0.581SS**Hα-helixtrans-77-21.5177.900000114.1E155E155-A157 VanDerWaalsContact C-N 3.26Å; E155-A157 PolarHBondContact O-N 3.31Å
158E34.6Very low36.5Very low129 Ų129115.7 Ų115.760%0.60357%0.574SS**Hα-helixtrans-86.2-23.7175.7-76.8-175.5164.700112.1E155 S161E155-E158 PolarHBondContact O-N 2.93Å; E158-S161 PolarHBondContact O-N 2.98Å; E158-S161 PolarHBondContact O-OG 3.42Å
159E37.8Very low36.1Very low71 Ų71109.6 Ų109.633%0.33255%0.55SS.*Hα-helixtrans-72.1-32.1178-142.2168.6-168.900112.3K149 E155 S161 L162 E163K149-E159 IonicContact NZ-OE1 3.09Å; K149-E159 PolarHBondContact NZ-OE1 3.13Å; K149-E159 IonicContact NZ-OE2 2.68Å; K149-E159 PolarHBondContact NZ-OE2 2.88Å; E155-E159 PolarHBondContact O-N 2.95Å; E159-S161 PolarHBondContact O-N 2.73Å; E159-L162 PolarHBondContact O-N 2.75Å; E159-E163 PolarHBondContact O-N 3.41Å
160D36.5Very low35.4Very low103 Ų103110.4 Ų110.455%0.55156%0.562SS**THydrogen-bonded Turntrans-61.5-25.9169.4-84.6-11.2000112.2
161S35.2Very low35Very low91 Ų91103.2 Ų103.264%0.63654%0.536SS*.THydrogen-bonded Turntrans-83.8-9.9179.375.50000114.7E158 E159E158-S161 PolarHBondContact O-N 2.98Å; E158-S161 PolarHBondContact O-OG 3.42Å; E159-S161 PolarHBondContact O-N 2.73Å
162L39.3Very low34.4Very low112 Ų11296.9 Ų96.959%0.58653%0.529SS*.SBendtrans-111.5-0.9-178.1-69.2168.1000112.8E159 L164E159-L162 PolarHBondContact O-N 2.75Å; L162-L164 PolarHBondContact O-N 3.18Å
163E42.7Very low34.1Very low51 Ų5196.7 Ų96.724%0.23854%0.544CS..SBendtrans-59.4123.6164.4-61.6-166.4165.800106.6R100 E159 E165R100-E163 IonicContact NH1-OE1 2.73Å; R100-E163 PolarHBondContact NH1-OE1 2.97Å; R100-E163 VanDerWaalsContact NH1-OE1 3.11Å; E159-E163 PolarHBondContact O-N 3.41Å; E163-E165 PolarHBondContact O-N 3.3Å
164L40.8Very low33.7Very low58 Ų5890.8 Ų90.830%0.30453%0.534SS..  trans-62.690.9163.9-136.7108.6000104.2L162 G166 I241L162-L164 PolarHBondContact O-N 3.18Å; L164-G166 PolarHBondContact O-N 3.27Å; L164-I241 HydrophobicContact CD1-CD1 3.59Å; L164-I241 HydrophobicContact CD1-CG1 4.46Å; L164-I241 HydrophobicContact CD1-CG2 3.66Å
165E33Very low33.9Very low145 Ų14589.3 Ų89.368%0.67854%0.536SS*.  trans-60.787.9164.4-81.2-159.6153.600104.7E163E163-E165 PolarHBondContact O-N 3.3Å
166G33.1Very low33.8Very low14 Ų1493.7 Ų93.714%0.14456%0.556CS.*  trans-48.8144.2147.500000106.2L164 L168L164-G166 PolarHBondContact O-N 3.27Å; G166-L168 PolarHBondContact O-N 3.22Å
167P30.5Very low34.3Very low70 Ų7090 Ų9046%0.45554%0.541SS..  trans-48.4127.5-169.721.9-33.3000108.2L169 I229P167-L169 VanDerWaalsContact C-N 3.29Å; P167-L169 PolarHBondContact O-N 3.06Å; P167-I229 HydrophobicContact CB-CD1 4.49Å; P167-I229 HydrophobicContact CG-CD1 3.12Å
168L31Very low34.7Very low113 Ų11387.2 Ų87.259%0.59251%0.514SS*.  trans-41.2107.9157.9-89.8150000105.2G166 T170G166-L168 PolarHBondContact O-N 3.22Å; L168-T170 HydrophobicContact CB-CG2 3.94Å; L168-T170 HydrophobicContact CD2-CG2 3.86Å; L168-T170 HydrophobicContact CG-CG2 4.4Å; L168-T170 PolarHBondContact O-N 3.28Å
169L35.9Very low34.8Very low70 Ų7087 Ų8737%0.36651%0.512SS..  trans-68.376.8153.6-64.6175.8000103.5M109 P167 P171 I229M109-L169 HydrophobicContact CE-CD1 4.35Å; P167-L169 VanDerWaalsContact C-N 3.29Å; P167-L169 PolarHBondContact O-N 3.06Å; L169-P171 VanDerWaalsContact C-CD 3.44Å; L169-P171 VanDerWaalsContact O-CD 3.24Å; L169-P171 WeakPolarHBondContact O-CD 3.32Å; L169-I229 HydrophobicContact CD1-CG2 4.38Å; L169-I229 HydrophobicContact CD2-CG2 4.46Å
170T28.7Very low34.8Very low97 Ų9784.4 Ų84.460%0.59550%0.5SS*.  trans-91.497.4155.543.10000104.9L168L168-T170 HydrophobicContact CB-CG2 3.94Å; L168-T170 HydrophobicContact CD2-CG2 3.86Å; L168-T170 HydrophobicContact CG-CG2 4.4Å; L168-T170 PolarHBondContact O-N 3.28Å
171P29.7Very low34.7Very low51 Ų5181.4 Ų81.433%0.33149%0.493SS..  trans-60.8139.1144.35.211.9000106.6L169 S173 E224L169-P171 VanDerWaalsContact C-CD 3.44Å; L169-P171 VanDerWaalsContact O-CD 3.24Å; L169-P171 WeakPolarHBondContact O-CD 3.32Å; P171-S173 PolarHBondContact O-N 3.31Å; P171-E224 HydrophobicContact CB-CB 3.71Å; P171-E224 HydrophobicContact CG-CB 3.39Å; P171-E224 HydrophobicContact CG-CG 4.49Å; P171-E224 WeakPolarHBondContact CG-O 2.9Å
172G26.3Very low34.4Very low71 Ų7183 Ų8373%0.73250%0.502SS*.SBendtrans-42.9134.8-163.500000115.1
173S29.2Very low34Very low124 Ų12483.1 Ų83.187%0.86751%0.507SS*.SBendtrans40.6103.8155.9-59.20000117.3P171P171-S173 PolarHBondContact O-N 3.31Å
174A27.5Very low33.7Very low84 Ų8490.8 Ų90.869%0.69454%0.539SS*.SBendtrans92.387.7167.800000116.6
175S38.3Very low33.2Very low122 Ų12291.6 Ų91.685%0.85356%0.562SS**  trans67.361.2134.8-48.10000119
176E33.6Very low32.7Very low155 Ų15590 Ų9072%0.72457%0.567SS**  trans-127.6123.4169.8-65.1-162.2179.500114.3
177I44.8Very low32.7Very low75 Ų7595 Ų9539%0.38559%0.594SS.*  trans-97.1137.4-175.7-68.4167.7000107.1L98 K112 F179L98-I177 HydrophobicContact CD1-CG2 3.76Å; L98-I177 HydrophobicContact CD2-CD1 4.46Å; K112-I177 HydrophobicContact CB-CG2 3.71Å; I177-F179 WeakPolarHBondContact O-CD2 3.46Å; I177-F179 PolarHBondContact O-N 3.11Å
178I40.7Very low32.6Very low26 Ų26101.7 Ų101.713%0.13361%0.611CS.*EExtended strand (participates in β ladder)trans-65.3110.2173.5-58.3173.4000109.1M109 K112 T129 I180 P221 L222M109-I178 HydrophobicContact CE-CD1 3.93Å; K112-I178 WeakPolarHBondContact CB-O 3.23Å; K112-I178 PolarHBondContact N-O 2.69Å; T129-I178 HydrophobicContact CG2-CG2 3.7Å; I178-I180 HydrophobicContact CG2-CG1 4.41Å; I178-P221 HydrophobicContact CG2-CB 4.34Å; I178-P221 HydrophobicContact CG2-CG 4.37Å; I178-L222 HydrophobicContact CD1-CD2 4.36Å
179F35.8Very low32.4Very low125 Ų125101 Ų10155%0.54862%0.616SS.*EExtended strand (participates in β ladder)trans-80.6121.3175.9-77.1-96.5000110.7K112 I177K112-F179 HydrophobicContact CD-CD1 3.76Å; K112-F179 HydrophobicContact CD-CE1 3.82Å; I177-F179 WeakPolarHBondContact O-CD2 3.46Å; I177-F179 PolarHBondContact O-N 3.11Å
180I38.9Very low31.9Very low15 Ų15101.1 Ų101.18%0.07762%0.623CS.*  trans-112.6105.4171-52.6-168.6000108.6H96 V111 K112 D125 I126 T129 I178H96-I180 PolarHBondContact CD2-O 3.44Å; H96-I180 PolarHBondContact NE2-O 3.16Å; V111-I180 HydrophobicContact CG1-CD1 3.12Å; V111-I180 HydrophobicContact CG1-CG1 3.68Å; K112-I180 VanDerWaalsContact O-CB 3.24Å; K112-I180 WeakPolarHBondContact O-CB 3.26Å; K112-I180 PolarHBondContact O-N 3.15Å; D125-I180 HydrophobicContact CB-CG2 3.68Å; I126-I180 HydrophobicContact CG1-CD1 4.06Å; T129-I180 HydrophobicContact CG2-CD1 4.11Å; T129-I180 HydrophobicContact CG2-CG1 4.27Å; T129-I180 WeakPolarHBondContact OG1-CD1 3.47Å; I178-I180 HydrophobicContact CG2-CG1 4.41Å
181G33.9Very low32Very low40 Ų40100.4 Ų100.441%0.41262%0.62SS.*SBendtrans171.9160.3174.400000113.1V183G181-V183 PolarHBondContact O-N 2.84Å
182P28.2Very low32.4Very low126 Ų126101.5 Ų101.582%0.81864%0.641SS**  trans-77.4100.9176.430-29.6000110K184P182-K184 PolarHBondContact O-N 3.43Å
183V31.4Very low32.6Very low114 Ų114104.7 Ų104.769%0.69164%0.64SS**  trans-75111.4174.8-1740000108.9G181G181-V183 PolarHBondContact O-N 2.84Å
184K35.7Very low33Very low211 Ų211108.4 Ų108.492%0.91764%0.636SS**  trans-103.7109.8165.5-89.4-170.7176.2-178.40109.5P182P182-K184 PolarHBondContact O-N 3.43Å
185G30Very low33.4Very low76 Ų76107.2 Ų107.278%0.78462%0.623SS**SBendtrans117.769.1158.900000116
186S24.1Very low33.4Very low112 Ų112111.7 Ų111.778%0.78363%0.627SS**  trans-169.2145.1136.9-171.50000108.7
187V31.6Very low33.6Very low117 Ų117110.2 Ų110.271%0.70963%0.629SS**SBendtrans-61.3140.8176.5-178.60000108.4
188Y28.7Very low33.7Very low211 Ų211112.5 Ų112.583%0.82764%0.64SS**SBendtrans93.4102.2-171.8-55.6-74.5000115.7
189S26.4Very low34.5Very low99 Ų99113.9 Ų113.969%0.69265%0.649SS**  trans68.689.3155.7-470000118.3
190S25.4Very low35.6Very low72 Ų72109 Ų10950%0.50363%0.63SS.*  trans-73.8127.3161.8-57.90000110.6G192S190-G192 PolarHBondContact O-N 3.11Å
191P31.6Very low36.9Very low83 Ų83109.4 Ų109.454%0.53963%0.633SS.*THydrogen-bonded Turntrans-74110.5162.5-6.723.3000108.4
192G38Very low38.6Very low74 Ų74108 Ų10876%0.76362%0.616SS**THydrogen-bonded Turntrans100.725.2162.700000118.2S190S190-G192 PolarHBondContact O-N 3.11Å
193L31.7Very low40.5Very low138 Ų138104.4 Ų104.472%0.72359%0.59SS**  trans-9739.8166.5-85.5172.4000113.6
194Y36.4Very low42.1Very low201 Ų201101.9 Ų101.979%0.78858%0.577SS**SBendtrans-124.9104.8166.9-68.3-73.7000110.8
195S36.1Very low43.6Very low60 Ų60100.9 Ų100.942%0.4257%0.568SS.*  trans61.5108.7160.5-1700000118.4T197 M198S195-T197 PolarHBondContact O-N 3.05Å; S195-T197 VanDerWaalsContact OG-CA 3.28Å; S195-T197 WeakPolarHBondContact OG-CA 3.48Å; S195-T197 WeakPolarHBondContact OG-CB 3.38Å; S195-T197 PolarHBondContact OG-N 3.32Å; S195-T197 PolarHBondContact OG-OG1 3Å; S195-M198 PolarHBondContact O-N 2.86Å; S195-M198 PolarHBondContact OG-N 3.11Å
196K38.1Very low45.2Very low215 Ų21599.4 Ų99.494%0.93554%0.541SS*.THydrogen-bonded Turntrans-56.91.5154.6-91.7-179.2175179.50113.6
197T38.6Very low47Very low125 Ų12594.3 Ų94.377%0.76751%0.507SS*.THydrogen-bonded Turntrans-118-0.3-168.4-250000112.5S195S195-T197 PolarHBondContact O-N 3.05Å; S195-T197 VanDerWaalsContact OG-CA 3.28Å; S195-T197 WeakPolarHBondContact OG-CA 3.48Å; S195-T197 WeakPolarHBondContact OG-CB 3.38Å; S195-T197 PolarHBondContact OG-N 3.32Å; S195-T197 PolarHBondContact OG-OG1 3Å
198M46.5Very low48.7Very low122 Ų12290 Ų9060%0.60148%0.482SS*.  trans-122.3127.1-178.5-72.1-155.4118.600112.2S195 W216S195-M198 PolarHBondContact O-N 2.86Å; S195-M198 PolarHBondContact OG-N 3.11Å; M198-W216 HydrophobicContact CB-CH2 3.56Å; M198-W216 HydrophobicContact CB-CZ2 3.72Å; M198-W216 HydrophobicContact CB-CZ3 4.34Å; M198-W216 HydrophobicContact CE-CZ2 4.37Å; M198-W216 HydrophobicContact CG-CH2 4.49Å; M198-W216 HydrophobicContact CG-CZ2 4.29Å; M198-W216 HydrophobicContact SD-CH2 4.44Å; M198-W216 HydrophobicContact SD-CZ2 3.7Å
199T57.3Low50.4Low55 Ų5581.4 Ų81.434%0.33745%0.452SS..  trans-112.1131.3-176.4-51.80000110.1T201 W216 Y295T199-T201 PolarHBondContact O-N 3.31Å; T199-W216 VanDerWaalsContact C-CZ3 3.48Å; T199-Y295 HydrophobicContact CG2-CD1 3.41Å; T199-Y295 VanDerWaalsContact CG2-CD1 3.41Å; T199-Y295 HydrophobicContact CG2-CD2 4.42Å; T199-Y295 HydrophobicContact CG2-CE1 4.11Å; T199-Y295 HydrophobicContact CG2-CG 3.59Å
200P59.9Low52.4Low22 Ų2280 Ų8014%0.14344%0.436CS..  trans-61.2133.1-176.4-30.139.3000111.4N131 Y202 T213 W216 Y295N131-P200 VanDerWaalsContact ND2-CB 3.33Å; N131-P200 WeakPolarHBondContact ND2-CB 3.41Å; N131-P200 WeakPolarHBondContact ND2-CG 3.28Å; N131-P200 WeakPolarHBondContact OD1-CG 3.3Å; P200-Y202 HydrophobicContact CB-CE2 3.97Å; P200-T213 HydrophobicContact CB-CG2 3.77Å; P200-W216 VanDerWaalsContact CA-CZ3 3.42Å; P200-W216 HydrophobicContact CB-CE3 4.36Å; P200-W216 HydrophobicContact CB-CZ3 4.09Å; P200-W216 HydrophobicContact CG-CE3 3.96Å; P200-W216 HydrophobicContact CG-CZ3 3.74Å; P200-W216 VanDerWaalsContact N-CZ3 3.35Å; P200-Y295 WeakPolarHBondContact O-CA 3.45Å; P200-Y295 WeakPolarHBondContact O-CD1 3.47Å
201T64.8Low54.1Low24 Ų2480 Ų8015%0.14744%0.436CS..  trans-114.4143178.553.30000111.8T199 L210 T213 K294 Y295T199-T201 PolarHBondContact O-N 3.31Å; T201-L210 PolarHBondContact O-N 2.92Å; T201-T213 PolarHBondContact N-OG1 2.96Å; T201-T213 WeakPolarHBondContact O-CB 3.49Å; T201-T213 PolarHBondContact O-OG1 3.27Å; T201-T213 PolarHBondContact OG1-OG1 3.44Å; T201-K294 WeakPolarHBondContact CA-O 3.48Å; T201-K294 HydrophobicContact CG2-CG 4.17Å; T201-Y295 HydrophobicContact CG2-CD1 3.92Å; T201-Y295 HydrophobicContact CG2-CE1 3.71Å
202Y70.2Confident55.4Low10 Ų1079.4 Ų79.44%0.03943%0.432CS..BIsolated β-bridgetrans-128.7151.6-176.8-64.3-94.4000111.1N131 P200 S204 G207 S208 P209 T213 F217 K294 A297 I298N131-Y202 PolarHBondContact ND2-OH 3.22Å; P200-Y202 HydrophobicContact CB-CE2 3.97Å; Y202-S204 PolarHBondContact O-N 3.22Å; Y202-G207 WeakPolarHBondContact CD1-O 3.12Å; Y202-S208 CarbonylContact C-O 3.5Å; Y202-S208 VanDerWaalsContact CA-O 3.26Å; Y202-S208 WeakPolarHBondContact CA-O 3.24Å; Y202-P209 HydrophobicContact CD1-CB 4.09Å; Y202-P209 HydrophobicContact CE1-CB 3.94Å; Y202-T213 HydrophobicContact CE1-CG2 4.46Å; Y202-F217 HydrophobicContact CE1-CE2 4.24Å; Y202-F217 WeakPolarHBondContact OH-CE2 3.06Å; Y202-F217 VanDerWaalsContact OH-CZ 3.22Å; Y202-F217 WeakPolarHBondContact OH-CZ 3.09Å; Y202-K294 PolarHBondContact N-O 3.16Å; Y202-A297 HydrophobicContact CD1-CB 3.78Å; Y202-A297 HydrophobicContact CD2-CB 3.54Å; Y202-A297 HydrophobicContact CE1-CB 4.27Å; Y202-A297 HydrophobicContact CE2-CB 4.04Å; Y202-A297 HydrophobicContact CG-CB 3.38Å; Y202-I298 WeakPolarHBondContact OH-CD1 3.37Å
203D68.6Low56.5Low52 Ų5275.9 Ų75.928%0.27840%0.396SS..  trans-69.5128.9171.1-169.5-32.7000109.8R205 D206 G207 S208 L210D203-R205 VanDerWaalsContact C-N 3.27Å; D203-R205 PolarHBondContact O-N 3.47Å; D203-R205 WeakPolarHBondContact OD1-CB 3.5Å; D203-R205 PolarHBondContact OD1-N 3.27Å; D203-D206 WeakPolarHBondContact CB-OD1 3.41Å; D203-G207 WeakPolarHBondContact O-CA 3.26Å; D203-G207 PolarHBondContact O-N 3.47Å; D203-S208 PolarHBondContact N-O 3.4Å; D203-L210 HydrophobicContact CB-CD2 4.04Å
204S64.4Low57.8Low60 Ų6071.7 Ų71.742%0.4238%0.379SS..THydrogen-bonded Turntrans-64.2-25.7177.661.80000114.9Y202 I567Y202-S204 PolarHBondContact O-N 3.22Å; S204-I567 WeakPolarHBondContact O-CG2 3.47Å; S204-I567 PolarHBondContact O-N 3.42Å
205R66.6Low58.7Low191 Ų19165.2 Ų65.272%0.72137%0.366SS*.THydrogen-bonded Turntrans-79.1-44.7-172.8-68.4-178174.2-175.80.3112.2D203 L566D203-R205 VanDerWaalsContact C-N 3.27Å; D203-R205 PolarHBondContact O-N 3.47Å; D203-R205 WeakPolarHBondContact OD1-CB 3.5Å; D203-R205 PolarHBondContact OD1-N 3.27Å; R205-L566 WeakPolarHBondContact O-CB 3.34Å
206D64.6Low59.7Low44 Ų4466.8 Ų66.824%0.23536%0.363CS..THydrogen-bonded Turntrans-122.4-9.8-175.263.110.2000114.2D203 S208 L566D203-D206 WeakPolarHBondContact CB-OD1 3.41Å; D206-S208 VanDerWaalsContact C-N 3.27Å; D206-S208 VanDerWaalsContact OD1-CB 3.24Å; D206-S208 WeakPolarHBondContact OD1-CB 3.48Å; D206-S208 PolarHBondContact OD1-N 2.9Å; D206-S208 PolarHBondContact OD1-OG 3.38Å; D206-S208 PolarHBondContact OD2-OG 3.29Å; D206-L566 VanDerWaalsContact O-CD2 3.25Å; D206-L566 WeakPolarHBondContact O-CD2 3.24Å
207G60.4Low60.3Low6 Ų657.5 Ų57.56%0.06232%0.323CS..  trans76.412-178.400000114Y202 D203Y202-G207 WeakPolarHBondContact CD1-O 3.12Å; D203-G207 WeakPolarHBondContact O-CA 3.26Å; D203-G207 PolarHBondContact O-N 3.47Å
208S67.7Low60.5Low27 Ų2753.6 Ų53.619%0.18931%0.308CS..PPolyproline II helixtrans-70.3145.9176.364.80000111.3Y202 D203 D206 L210Y202-S208 CarbonylContact C-O 3.5Å; Y202-S208 VanDerWaalsContact CA-O 3.26Å; Y202-S208 WeakPolarHBondContact CA-O 3.24Å; D203-S208 PolarHBondContact N-O 3.4Å; D206-S208 VanDerWaalsContact C-N 3.27Å; D206-S208 VanDerWaalsContact OD1-CB 3.24Å; D206-S208 WeakPolarHBondContact OD1-CB 3.48Å; D206-S208 PolarHBondContact OD1-N 2.9Å; D206-S208 PolarHBondContact OD1-OG 3.38Å; D206-S208 PolarHBondContact OD2-OG 3.29Å; S208-L210 PolarHBondContact O-N 2.94Å
209P65.3Low60.3Low29 Ų2953.1 Ų53.119%0.18831%0.308CS..BIsolated β-bridgetrans-65.2132.9173.624.8-30000110.5Y202 T213 S214 F217Y202-P209 HydrophobicContact CD1-CB 4.09Å; Y202-P209 HydrophobicContact CE1-CB 3.94Å; P209-T213 HydrophobicContact CB-CG2 3.62Å; P209-S214 WeakPolarHBondContact CB-OG 3.48Å; P209-S214 WeakPolarHBondContact CG-OG 3.49Å; P209-S214 PolarHBondContact O-OG 3.01Å; P209-F217 HydrophobicContact CB-CD2 4.04Å; P209-F217 HydrophobicContact CB-CE2 4.08Å; P209-F217 HydrophobicContact CG-CD2 4.36Å
210L67.3Low59.6Low69 Ų6951.9 Ų51.936%0.36130%0.301SS..PPolyproline II helixtrans-67.2158.4172.6-65.4-179000110.5T201 D203 S208 P212 T213 S214T201-L210 PolarHBondContact O-N 2.92Å; D203-L210 HydrophobicContact CB-CD2 4.04Å; S208-L210 PolarHBondContact O-N 2.94Å; L210-P212 VanDerWaalsContact C-CD 3.45Å; L210-P212 VanDerWaalsContact O-N 3.11Å; L210-T213 CarbonylContact O-C 3.53Å; L210-T213 WeakPolarHBondContact O-CA 3.39Å; L210-T213 VanDerWaalsContact O-CB 3.24Å; L210-T213 WeakPolarHBondContact O-CB 3.45Å; L210-T213 PolarHBondContact O-N 3.34Å; L210-S214 PolarHBondContact O-N 2.99Å; L210-S214 PolarHBondContact O-OG 2.85Å
211S61.6Low58.9Low73 Ų7352.9 Ų52.951%0.5131%0.308SS..Hα-helixtrans-44.5-46.2-174.8179.10000115.1T213 S214 A215S211-T213 PolarHBondContact O-N 2.87Å; S211-S214 PolarHBondContact O-N 3.19Å; S211-A215 PolarHBondContact O-N 3.36Å
212P58.8Low57.8Low70 Ų7052 Ų5246%0.45530%0.302SS..Hα-helixtrans-61.3-42.8175.3-21.333.1000112.8L210 A215 W216L210-P212 VanDerWaalsContact C-CD 3.45Å; L210-P212 VanDerWaalsContact O-N 3.11Å; P212-A215 PolarHBondContact O-N 2.85Å; P212-W216 HydrophobicContact CB-CZ2 4.35Å; P212-W216 PolarHBondContact O-N 3.18Å; P212-W216 VanDerWaalsContact O-N 3.08Å; P212-W216 PolarHBondContact O-NE1 3.41Å; P212-W216 VanDerWaalsContact O-NE1 3.16Å
213T61Low56.4Low0 Ų053.9 Ų53.90%032%0.317CS..Hα-helixtrans-67.4-38.6177.7-53.50000112P200 T201 Y202 P209 L210 S211 W216 F217P200-T213 HydrophobicContact CB-CG2 3.77Å; T201-T213 PolarHBondContact N-OG1 2.96Å; T201-T213 WeakPolarHBondContact O-CB 3.49Å; T201-T213 PolarHBondContact O-OG1 3.27Å; T201-T213 PolarHBondContact OG1-OG1 3.44Å; Y202-T213 HydrophobicContact CE1-CG2 4.46Å; P209-T213 HydrophobicContact CB-CG2 3.62Å; L210-T213 CarbonylContact O-C 3.53Å; L210-T213 WeakPolarHBondContact O-CA 3.39Å; L210-T213 VanDerWaalsContact O-CB 3.24Å; L210-T213 WeakPolarHBondContact O-CB 3.45Å; L210-T213 PolarHBondContact O-N 3.34Å; S211-T213 PolarHBondContact O-N 2.87Å; T213-W216 WeakPolarHBondContact O-CB 3.48Å; T213-W216 PolarHBondContact O-N 3.44Å; T213-F217 HydrophobicContact CG2-CD2 3.79Å; T213-F217 HydrophobicContact CG2-CE2 3.4Å; T213-F217 VanDerWaalsContact CG2-CE2 3.4Å; T213-F217 HydrophobicContact CG2-CZ 4.37Å; T213-F217 WeakPolarHBondContact O-CD2 3.5Å; T213-F217 PolarHBondContact O-N 3.17Å
214S58.8Low55.2Low51 Ų5156.4 Ų56.436%0.35733%0.327SS..Hα-helixtrans-64.8-41.2176-65.50000111.7P209 L210 S211 W216 F217 G218P209-S214 WeakPolarHBondContact CB-OG 3.48Å; P209-S214 WeakPolarHBondContact CG-OG 3.49Å; P209-S214 PolarHBondContact O-OG 3.01Å; L210-S214 PolarHBondContact O-N 2.99Å; L210-S214 PolarHBondContact O-OG 2.85Å; S211-S214 PolarHBondContact O-N 3.19Å; S214-W216 VanDerWaalsContact C-N 3.33Å; S214-W216 PolarHBondContact O-N 3.2Å; S214-F217 PolarHBondContact O-N 2.8Å; S214-G218 PolarHBondContact O-N 2.93Å
215A55.8Low54.2Low64 Ų6453.8 Ų53.853%0.52931%0.31SS..Hα-helixtrans-63.2-37.5172.400000112.1S211 P212 F217 G218S211-A215 PolarHBondContact O-N 3.36Å; P212-A215 PolarHBondContact O-N 2.85Å; A215-F217 VanDerWaalsContact C-N 3.35Å; A215-G218 PolarHBondContact O-N 3.43Å
216W56.3Low53.4Low93 Ų9350.3 Ų50.335%0.35231%0.305SS..Hα-helixtrans-67.6-36.1174.9-57.4-11.3000112.8M198 T199 P200 P212 T213 S214 G218M198-W216 HydrophobicContact CB-CH2 3.56Å; M198-W216 HydrophobicContact CB-CZ2 3.72Å; M198-W216 HydrophobicContact CB-CZ3 4.34Å; M198-W216 HydrophobicContact CE-CZ2 4.37Å; M198-W216 HydrophobicContact CG-CH2 4.49Å; M198-W216 HydrophobicContact CG-CZ2 4.29Å; M198-W216 HydrophobicContact SD-CH2 4.44Å; M198-W216 HydrophobicContact SD-CZ2 3.7Å; T199-W216 VanDerWaalsContact C-CZ3 3.48Å; P200-W216 VanDerWaalsContact CA-CZ3 3.42Å; P200-W216 HydrophobicContact CB-CE3 4.36Å; P200-W216 HydrophobicContact CB-CZ3 4.09Å; P200-W216 HydrophobicContact CG-CE3 3.96Å; P200-W216 HydrophobicContact CG-CZ3 3.74Å; P200-W216 VanDerWaalsContact N-CZ3 3.35Å; P212-W216 HydrophobicContact CB-CZ2 4.35Å; P212-W216 PolarHBondContact O-N 3.18Å; P212-W216 VanDerWaalsContact O-N 3.08Å; P212-W216 PolarHBondContact O-NE1 3.41Å; P212-W216 VanDerWaalsContact O-NE1 3.16Å; T213-W216 WeakPolarHBondContact O-CB 3.48Å; T213-W216 PolarHBondContact O-N 3.44Å; S214-W216 VanDerWaalsContact C-N 3.33Å; S214-W216 PolarHBondContact O-N 3.2Å; W216-G218 PolarHBondContact O-N 3.24Å
217F52.3Low52.6Low20 Ų2048.9 Ų48.99%0.08830%0.299CS..Hα-helixtrans-68-27.3173.7-78.1-57.5000112.2N131 Y202 P209 T213 S214 A215 D219 S220 L222 S223 P227N131-F217 HydrophobicContact CB-CZ 4.49Å; Y202-F217 HydrophobicContact CE1-CE2 4.24Å; Y202-F217 WeakPolarHBondContact OH-CE2 3.06Å; Y202-F217 VanDerWaalsContact OH-CZ 3.22Å; Y202-F217 WeakPolarHBondContact OH-CZ 3.09Å; P209-F217 HydrophobicContact CB-CD2 4.04Å; P209-F217 HydrophobicContact CB-CE2 4.08Å; P209-F217 HydrophobicContact CG-CD2 4.36Å; T213-F217 HydrophobicContact CG2-CD2 3.79Å; T213-F217 HydrophobicContact CG2-CE2 3.4Å; T213-F217 VanDerWaalsContact CG2-CE2 3.4Å; T213-F217 HydrophobicContact CG2-CZ 4.37Å; T213-F217 WeakPolarHBondContact O-CD2 3.5Å; T213-F217 PolarHBondContact O-N 3.17Å; S214-F217 PolarHBondContact O-N 2.8Å; A215-F217 VanDerWaalsContact C-N 3.35Å; F217-D219 PolarHBondContact O-N 3.35Å; F217-S220 PolarHBondContact O-N 3.43Å; F217-S220 VanDerWaalsContact O-N 3.17Å; F217-L222 HydrophobicContact CD1-CB 4.29Å; F217-L222 HydrophobicContact CD1-CD1 4.43Å; F217-L222 HydrophobicContact CE1-CD1 3.99Å; F217-S223 WeakPolarHBondContact O-CA 3.15Å; F217-S223 WeakPolarHBondContact O-CB 3.29Å; F217-S223 PolarHBondContact O-N 3.33Å; F217-P227 HydrophobicContact CB-CG 3.57Å; F217-P227 HydrophobicContact CD1-CB 3.58Å; F217-P227 HydrophobicContact CD1-CG 3.45Å; F217-P227 VanDerWaalsContact CD1-CG 3.45Å; F217-P227 HydrophobicContact CD2-CB 4.05Å; F217-P227 HydrophobicContact CD2-CG 3.93Å; F217-P227 HydrophobicContact CE1-CB 3.69Å; F217-P227 HydrophobicContact CE1-CG 4.12Å; F217-P227 HydrophobicContact CE2-CB 4.13Å; F217-P227 HydrophobicContact CG-CB 3.8Å; F217-P227 HydrophobicContact CG-CG 3.37Å; F217-P227 HydrophobicContact CZ-CB 3.99Å
218G43.3Very low52.3Low44 Ų4449.1 Ų49.145%0.45430%0.301SS..Hα-helixtrans-54.9-30.6176.500000115S214 A215 W216 S223S214-G218 PolarHBondContact O-N 2.93Å; A215-G218 PolarHBondContact O-N 3.43Å; W216-G218 PolarHBondContact O-N 3.24Å; G218-S223 WeakPolarHBondContact O-CB 3.18Å; G218-S223 PolarHBondContact O-OG 3.39Å
219D40.4Very low52.4Low111 Ų11149.2 Ų49.259%0.59430%0.299SS*.THydrogen-bonded Turntrans-1040.6-179-74.6-24.3000114.1F217F217-D219 PolarHBondContact O-N 3.35Å
220S43.8Very low53Low29 Ų2948.1 Ų48.120%0.20329%0.292CS..SBendtrans-89.7152.9-179.8-179.30000111F217 L222 S223F217-S220 PolarHBondContact O-N 3.43Å; F217-S220 VanDerWaalsContact O-N 3.17Å; S220-L222 PolarHBondContact O-N 3.03Å; S220-L222 PolarHBondContact OG-N 2.78Å; S220-S223 WeakPolarHBondContact O-CB 3.36Å; S220-S223 PolarHBondContact O-N 2.95Å; S220-S223 PolarHBondContact O-OG 3.31Å
221P44Very low53.3Low44 Ų4444.9 Ų44.929%0.28628%0.275SS..THydrogen-bonded Turntrans-60.9-5.6167.623-32.4000113.8I178I178-P221 HydrophobicContact CG2-CB 4.34Å; I178-P221 HydrophobicContact CG2-CG 4.37Å
222L41.8Very low54.1Low4 Ų443.2 Ų43.22%0.02126%0.261CS..THydrogen-bonded Turntrans-84.1-12165.9-67.1179.1000114.1T129 I178 F217 S220 E224 G225 P227T129-L222 WeakPolarHBondContact O-CD1 3.39Å; I178-L222 HydrophobicContact CD1-CD2 4.36Å; F217-L222 HydrophobicContact CD1-CB 4.29Å; F217-L222 HydrophobicContact CD1-CD1 4.43Å; F217-L222 HydrophobicContact CE1-CD1 3.99Å; S220-L222 PolarHBondContact O-N 3.03Å; S220-L222 PolarHBondContact OG-N 2.78Å; L222-E224 VanDerWaalsContact C-N 3.26Å; L222-E224 PolarHBondContact O-N 3.01Å; L222-G225 CarbonylContact O-C 3.58Å; L222-G225 PolarHBondContact O-N 3.48Å; L222-G225 VanDerWaalsContact O-N 3.12Å; L222-P227 HydrophobicContact CB-CB 4.22Å; L222-P227 HydrophobicContact CB-CG 4.15Å; L222-P227 VanDerWaalsContact O-CD 3.29Å; L222-P227 WeakPolarHBondContact O-CD 3.44Å; L222-P227 WeakPolarHBondContact O-CG 3.18Å
223S41.7Very low55.2Low51 Ų5140 Ų4036%0.35724%0.241SC..THydrogen-bonded Turntrans-59.8-39.818089.80000111.6F217 G218 S220 G225F217-S223 WeakPolarHBondContact O-CA 3.15Å; F217-S223 WeakPolarHBondContact O-CB 3.29Å; F217-S223 PolarHBondContact O-N 3.33Å; G218-S223 WeakPolarHBondContact O-CB 3.18Å; G218-S223 PolarHBondContact O-OG 3.39Å; S220-S223 WeakPolarHBondContact O-CB 3.36Å; S220-S223 PolarHBondContact O-N 2.95Å; S220-S223 PolarHBondContact O-OG 3.31Å; S223-G225 PolarHBondContact O-N 3.32Å
224E43.1Very low55.9Low104 Ų10443.9 Ų43.949%0.48626%0.259SS..THydrogen-bonded Turntrans-75.1-19.4-178.7-54.3-165.4149.700112P171 L222P171-E224 HydrophobicContact CB-CB 3.71Å; P171-E224 HydrophobicContact CG-CB 3.39Å; P171-E224 HydrophobicContact CG-CG 4.49Å; P171-E224 WeakPolarHBondContact CG-O 2.9Å; L222-E224 VanDerWaalsContact C-N 3.26Å; L222-E224 PolarHBondContact O-N 3.01Å
225G44.7Very low56.8Low6 Ų645 Ų456%0.06227%0.267CS..SBendtrans-124.572.2-17800000112.5L222 S223 P227L222-G225 CarbonylContact O-C 3.58Å; L222-G225 PolarHBondContact O-N 3.48Å; L222-G225 VanDerWaalsContact O-N 3.12Å; S223-G225 PolarHBondContact O-N 3.32Å; G225-P227 VanDerWaalsContact O-N 3.11Å
226N49.5Very low57.9Low117 Ų11742.9 Ų42.963%0.62625%0.247SC*.  trans3.789.2176.6-168-12000114.5G228 I229N226-G228 PolarHBondContact O-N 2.93Å; N226-G228 PolarHBondContact OD1-N 3.48Å; N226-I229 WeakPolarHBondContact O-CB 3.24Å; N226-I229 VanDerWaalsContact O-CG2 3.28Å; N226-I229 WeakPolarHBondContact O-CG2 3.37Å; N226-I229 PolarHBondContact O-N 3.46Å
227P46.8Very low58.6Low14 Ų1442.7 Ų42.79%0.09126%0.264CS..G310 helixtrans-59.2-22.3-171.7-7.310.5000113.7F217 L222 G225 I229 L230F217-P227 HydrophobicContact CB-CG 3.57Å; F217-P227 HydrophobicContact CD1-CB 3.58Å; F217-P227 HydrophobicContact CD1-CG 3.45Å; F217-P227 VanDerWaalsContact CD1-CG 3.45Å; F217-P227 HydrophobicContact CD2-CB 4.05Å; F217-P227 HydrophobicContact CD2-CG 3.93Å; F217-P227 HydrophobicContact CE1-CB 3.69Å; F217-P227 HydrophobicContact CE1-CG 4.12Å; F217-P227 HydrophobicContact CE2-CB 4.13Å; F217-P227 HydrophobicContact CG-CB 3.8Å; F217-P227 HydrophobicContact CG-CG 3.37Å; F217-P227 HydrophobicContact CZ-CB 3.99Å; L222-P227 HydrophobicContact CB-CB 4.22Å; L222-P227 HydrophobicContact CB-CG 4.15Å; L222-P227 VanDerWaalsContact O-CD 3.29Å; L222-P227 WeakPolarHBondContact O-CD 3.44Å; L222-P227 WeakPolarHBondContact O-CG 3.18Å; G225-P227 VanDerWaalsContact O-N 3.11Å; P227-I229 PolarHBondContact O-N 3.01Å; P227-I229 VanDerWaalsContact O-N 3.15Å; P227-L230 PolarHBondContact O-N 3.14Å
228G55.5Low59.7Low11 Ų1143.3 Ų43.311%0.11327%0.271CS..G310 helixtrans-59.1-22.4175.200000113.4N226 L230 A231 V232N226-G228 PolarHBondContact O-N 2.93Å; N226-G228 PolarHBondContact OD1-N 3.48Å; G228-L230 PolarHBondContact O-N 3.22Å; G228-A231 PolarHBondContact O-N 2.97Å; G228-V232 WeakPolarHBondContact O-CG2 3.32Å; G228-V232 PolarHBondContact O-N 3.17Å
229I67.8Low61.5Low29 Ų2942.3 Ų42.315%0.14926%0.257CS..G310 helixtrans-64.1-26.4-177.5-161.2165.5000114.2P167 L169 N226 P227P167-I229 HydrophobicContact CB-CD1 4.49Å; P167-I229 HydrophobicContact CG-CD1 3.12Å; L169-I229 HydrophobicContact CD1-CG2 4.38Å; L169-I229 HydrophobicContact CD2-CG2 4.46Å; N226-I229 WeakPolarHBondContact O-CB 3.24Å; N226-I229 VanDerWaalsContact O-CG2 3.28Å; N226-I229 WeakPolarHBondContact O-CG2 3.37Å; N226-I229 PolarHBondContact O-N 3.46Å; P227-I229 PolarHBondContact O-N 3.01Å; P227-I229 VanDerWaalsContact O-N 3.15Å
230L78Confident63.4Low6 Ų642 Ų423%0.03126%0.255CS..G310 helixtrans-85.2-18.1177.8-62.8-176.2000112.5L103 M109 F130 P227 G228 I298 N301 Q302L103-L230 HydrophobicContact CD1-CD2 3.55Å; M109-L230 HydrophobicContact SD-CD1 4.15Å; M109-L230 HydrophobicContact SD-CD2 3.98Å; F130-L230 HydrophobicContact CB-CD1 4.42Å; F130-L230 HydrophobicContact CD1-CD1 3.81Å; F130-L230 HydrophobicContact CE1-CD1 4.4Å; F130-L230 HydrophobicContact CG-CD1 4.29Å; P227-L230 PolarHBondContact O-N 3.14Å; G228-L230 PolarHBondContact O-N 3.22Å; L230-I298 HydrophobicContact CB-CD1 4.41Å; L230-I298 HydrophobicContact CB-CG1 4.31Å; L230-I298 HydrophobicContact CB-CG2 3.92Å; L230-N301 PolarHBondContact O-ND2 2.85Å; L230-Q302 PolarHBondContact O-NE2 3.45Å
231A75.4Confident65.3Low1 Ų142.6 Ų42.61%0.00826%0.256CS..THydrogen-bonded Turntrans-89.2-23175.900000112.6G228 A297 I298 N301 K570G228-A231 PolarHBondContact O-N 2.97Å; A231-A297 HydrophobicContact CB-CB 4.29Å; A231-I298 HydrophobicContact CB-CG1 3.85Å; A231-N301 WeakPolarHBondContact O-CB 3.31Å; A231-N301 PolarHBondContact O-OD1 3.39Å; A231-K570 PolarHBondContact O-NZ 2.83Å
232V77Confident67.1Low38 Ų3840.6 Ų40.623%0.2324%0.243CC..SBendtrans-93137.5-178.8-179.30000111.3G228 N301G228-V232 WeakPolarHBondContact O-CG2 3.32Å; G228-V232 PolarHBondContact O-N 3.17Å; V232-N301 PolarHBondContact O-ND2 3.3Å
233S81.9Confident69.1Low4 Ų444.2 Ų44.23%0.02827%0.265CS..  trans-82.8140.9174.8168.50000109.3E305 N334S233-E305 PolarHBondContact OG-OE1 2.99Å; S233-E305 VanDerWaalsContact OG-OE1 3.11Å; S233-N334 PolarHBondContact OG-OD1 3.31Å
234Q76.7Confident71.2Confident81 Ų8148.2 Ų48.238%0.37928%0.276SS..  trans-110.7138.8174-70.3-173.2-19.200110.9
235S76.3Confident73.1Confident75 Ų7547.3 Ų47.352%0.52427%0.274SS..  trans-63.3146.3171.3-60.70000110.7A237 N334S235-A237 PolarHBondContact O-N 3.33Å; S235-N334 WeakPolarHBondContact OG-CB 3.28Å; S235-N334 PolarHBondContact OG-ND2 3.36Å
236I79.5Confident74.9Confident19 Ų1948.3 Ų48.310%0.09728%0.276CS..  trans-67.1120.1172.6-59.8178.7000108.2S238 I241 W309 L312 C528I236-S238 VanDerWaalsContact C-N 3.32Å; I236-S238 WeakPolarHBondContact CG2-O 3.22Å; I236-S238 PolarHBondContact O-N 3.22Å; I236-I241 HydrophobicContact CG2-CB 4.46Å; I236-W309 HydrophobicContact CD1-CH2 3.65Å; I236-W309 HydrophobicContact CD1-CZ2 4.3Å; I236-W309 HydrophobicContact CD1-CZ3 3.98Å; I236-W309 HydrophobicContact CG1-CH2 3.9Å; I236-W309 HydrophobicContact CG1-CZ2 4.24Å; I236-L312 HydrophobicContact CD1-CD1 3.64Å; I236-C528 HydrophobicContact CB-CB 4.17Å
237A70.5Confident76.4Confident88 Ų8847.9 Ų47.973%0.72727%0.268SS*.SBendtrans-62.5-34.7-172.400000113.7S235 I241S235-A237 PolarHBondContact O-N 3.33Å; A237-I241 HydrophobicContact CB-CD1 4.13Å
238S77Confident77.7Confident33 Ų3352 Ų5223%0.23130%0.295CS..  trans-148.6142.2177.1164.50000111.5I236 D240 I241I236-S238 VanDerWaalsContact C-N 3.32Å; I236-S238 WeakPolarHBondContact CG2-O 3.22Å; I236-S238 PolarHBondContact O-N 3.22Å; S238-D240 PolarHBondContact O-N 3.07Å; S238-D240 WeakPolarHBondContact OG-CB 3.07Å; S238-D240 PolarHBondContact OG-N 3.18Å; S238-D240 PolarHBondContact OG-OD2 2.93Å; S238-I241 WeakPolarHBondContact O-CB 3.48Å; S238-I241 PolarHBondContact O-N 3.36Å; S238-I241 VanDerWaalsContact O-N 3.15Å
239P79.9Confident79Confident24 Ų2455 Ų5516%0.15631%0.307CS..Hα-helixtrans-54.5-29.7170.7-24.333.7000113.6I241 L242 V243 E527P239-I241 PolarHBondContact O-N 3.15Å; P239-L242 PolarHBondContact O-N 3.5Å; P239-L242 VanDerWaalsContact O-N 3.14Å; P239-V243 WeakPolarHBondContact O-CG2 3.35Å; P239-V243 PolarHBondContact O-N 3.48Å; P239-E527 HydrophobicContact CB-CB 3.83Å; P239-E527 HydrophobicContact CG-CB 3.73Å; P239-E527 WeakPolarHBondContact CG-OE2 3.39Å
240D81.4Confident79.9Confident104 Ų10456.3 Ų56.356%0.55632%0.318SS*.Hα-helixtrans-60.5-31.9-179.8-66.6-39.3000112.3S238 V243 K244S238-D240 PolarHBondContact O-N 3.07Å; S238-D240 WeakPolarHBondContact OG-CB 3.07Å; S238-D240 PolarHBondContact OG-N 3.18Å; S238-D240 PolarHBondContact OG-OD2 2.93Å; D240-V243 PolarHBondContact O-N 3.46Å; D240-K244 WeakPolarHBondContact O-CB 3.38Å; D240-K244 WeakPolarHBondContact O-CG 3.32Å; D240-K244 PolarHBondContact O-N 2.94Å
241I82.2Confident80.2Confident42 Ų4257.4 Ų57.422%0.21532%0.324CS..Hα-helixtrans-65.6-47.9178.7-58.4174.6000109.3L164 I236 A237 S238 P239 V243 K244 L245L164-I241 HydrophobicContact CD1-CD1 3.59Å; L164-I241 HydrophobicContact CD1-CG1 4.46Å; L164-I241 HydrophobicContact CD1-CG2 3.66Å; I236-I241 HydrophobicContact CG2-CB 4.46Å; A237-I241 HydrophobicContact CB-CD1 4.13Å; S238-I241 WeakPolarHBondContact O-CB 3.48Å; S238-I241 PolarHBondContact O-N 3.36Å; S238-I241 VanDerWaalsContact O-N 3.15Å; P239-I241 PolarHBondContact O-N 3.15Å; I241-V243 VanDerWaalsContact C-N 3.34Å; I241-V243 PolarHBondContact O-N 3.13Å; I241-K244 PolarHBondContact O-N 3.22Å; I241-L245 HydrophobicContact CG2-CD1 3.97Å; I241-L245 WeakPolarHBondContact O-CB 3.48Å; I241-L245 WeakPolarHBondContact O-CG 3.45Å; I241-L245 PolarHBondContact O-N 3.16Å
242L83.1Confident80.7Confident1 Ų159.7 Ų59.71%0.00534%0.336CS..Hα-helixtrans-63-42.5177.9179.159.3000111P239 K244 L245 Y246 W309 L312 L313 P532P239-L242 PolarHBondContact O-N 3.5Å; P239-L242 VanDerWaalsContact O-N 3.14Å; L242-K244 PolarHBondContact O-N 3.33Å; L242-L245 PolarHBondContact O-N 2.93Å; L242-Y246 WeakPolarHBondContact O-CB 3.31Å; L242-Y246 PolarHBondContact O-N 3.46Å; L242-W309 HydrophobicContact CD1-CZ3 4.22Å; L242-L312 HydrophobicContact CD1-CB 3.86Å; L242-L312 HydrophobicContact CD2-CD2 4.39Å; L242-L313 HydrophobicContact CD1-CD2 3.95Å; L242-P532 HydrophobicContact CD2-CG 4.28Å; L242-P532 HydrophobicContact CG-CG 3.99Å
243V83.9Confident81.1Confident80 Ų8061.1 Ų61.149%0.48534%0.342SS..Hα-helixtrans-65.1-38.1178.1174.70000112.3P239 D240 I241 P532P239-V243 WeakPolarHBondContact O-CG2 3.35Å; P239-V243 PolarHBondContact O-N 3.48Å; D240-V243 PolarHBondContact O-N 3.46Å; I241-V243 VanDerWaalsContact C-N 3.34Å; I241-V243 PolarHBondContact O-N 3.13Å; V243-P532 HydrophobicContact CG2-CG 4.38Å
244K84.8Confident81.2Confident135 Ų13562.4 Ų62.459%0.58735%0.347SS*.Hα-helixtrans-68.2-39.3176.7-76.7172.2-177.6179.70112.6D240 I241 L242D240-K244 WeakPolarHBondContact O-CB 3.38Å; D240-K244 WeakPolarHBondContact O-CG 3.32Å; D240-K244 PolarHBondContact O-N 2.94Å; I241-K244 PolarHBondContact O-N 3.22Å; L242-K244 PolarHBondContact O-N 3.33Å
245L82.8Confident81.8Confident85 Ų8558.6 Ų58.645%0.44533%0.33SS..Hα-helixtrans-77.3-33179.7-68.7174.6000112.3I241 L242 K247 W309 L313I241-L245 HydrophobicContact CG2-CD1 3.97Å; I241-L245 WeakPolarHBondContact O-CB 3.48Å; I241-L245 WeakPolarHBondContact O-CG 3.45Å; I241-L245 PolarHBondContact O-N 3.16Å; L242-L245 PolarHBondContact O-N 2.93Å; L245-K247 PolarHBondContact O-N 3.09Å; L245-K247 VanDerWaalsContact O-N 3.09Å; L245-W309 HydrophobicContact CD1-CZ3 4.28Å; L245-L313 HydrophobicContact CB-CD2 3.88Å
246Y83.1Confident82.3Confident28 Ų2859.3 Ų59.311%0.1132%0.323CS..  trans-64.8109.3178.8177.5-99.2000111.2L242 P248 E314 P532L242-Y246 WeakPolarHBondContact O-CB 3.31Å; L242-Y246 PolarHBondContact O-N 3.46Å; Y246-P248 HydrophobicContact CE1-CG 3.73Å; Y246-E314 HydrophobicContact CE2-CB 4.16Å; Y246-E314 HydrophobicContact CE2-CG 3.84Å; Y246-E314 VanDerWaalsContact CE2-OE2 3.28Å; Y246-E314 WeakPolarHBondContact CE2-OE2 3.4Å; Y246-E314 PolarHBondContact OH-OE2 3.02Å; Y246-P532 HydrophobicContact CD1-CB 4.12Å; Y246-P532 HydrophobicContact CD1-CG 4.16Å; Y246-P532 HydrophobicContact CD2-CG 4.3Å; Y246-P532 HydrophobicContact CE1-CB 4.42Å; Y246-P532 HydrophobicContact CG-CB 4.3Å; Y246-P532 HydrophobicContact CG-CG 3.86Å
247K80.9Confident82.7Confident107 Ų10760.5 Ų60.547%0.46533%0.329SS..  trans-123.3114172.9-66.1178.6-178.1176.70107.3D146 L245 Q249D146-K247 IonicContact OD1-NZ 3.8Å; D146-K247 IonicContact OD2-NZ 3.64Å; D146-K247 PolarHBondContact OD2-NZ 3Å; L245-K247 PolarHBondContact O-N 3.09Å; L245-K247 VanDerWaalsContact O-N 3.09Å; K247-Q249 WeakPolarHBondContact O-CG 3.33Å; K247-Q249 PolarHBondContact O-N 2.96Å; K247-Q249 VanDerWaalsContact O-N 3.11Å
248P74Confident83.7Confident102 Ų10257.4 Ų57.466%0.66230%0.301SS*.  trans-56.5118.8172.6-22.631.8000109.6Y246Y246-P248 HydrophobicContact CE1-CG 3.73Å
249Q82.1Confident84.3Confident74 Ų7459.6 Ų59.635%0.34631%0.307SS..  trans-116.1134.5-178-76.8179.629.800110K247 D253 K254K247-Q249 WeakPolarHBondContact O-CG 3.33Å; K247-Q249 PolarHBondContact O-N 2.96Å; K247-Q249 VanDerWaalsContact O-N 3.11Å; Q249-D253 HydrophobicContact CB-CB 4.01Å; Q249-D253 HydrophobicContact CG-CB 4.17Å; Q249-K254 HydrophobicContact CB-CG 4.08Å
250S86.4Confident84.9Confident56 Ų5659.1 Ų59.139%0.39231%0.306SS..  trans-69.9161.8168.468.60000110.5L252 D253 K254S250-L252 PolarHBondContact O-N 3.06Å; S250-D253 WeakPolarHBondContact CB-OD2 3.43Å; S250-D253 PolarHBondContact N-OD2 2.85Å; S250-D253 VanDerWaalsContact N-OD2 3.11Å; S250-D253 WeakPolarHBondContact O-CB 3.41Å; S250-D253 PolarHBondContact O-N 2.96Å; S250-D253 PolarHBondContact OG-N 2.81Å; S250-D253 PolarHBondContact OG-OD2 3.41Å; S250-K254 PolarHBondContact O-N 3.05Å
251L84.7Confident85.6Confident28 Ų2855.2 Ų55.215%0.14728%0.284CS..Hα-helixtrans-55.3-34.5173.3-74171.4000112.3K254 A255 L600 G616L251-K254 HydrophobicContact CD2-CD 4.48Å; L251-K254 PolarHBondContact O-N 2.85Å; L251-A255 WeakPolarHBondContact O-CB 3.41Å; L251-A255 PolarHBondContact O-N 3.37Å; L251-L600 HydrophobicContact CB-CD1 4.05Å; L251-G616 VanDerWaalsContact CD1-CA 3.43Å
252L86.4Confident86.2Confident50 Ų5053.2 Ų53.226%0.26227%0.274SS..Hα-helixtrans-63.9-42.2174.3-69174.5000112.1S250 A255 K256 L589 L600 A613S250-L252 PolarHBondContact O-N 3.06Å; L252-A255 PolarHBondContact O-N 3.49Å; L252-K256 WeakPolarHBondContact O-CG 3.11Å; L252-K256 PolarHBondContact O-N 2.98Å; L252-K256 VanDerWaalsContact O-N 3.15Å; L252-L589 HydrophobicContact CD2-CD1 3.53Å; L252-L600 HydrophobicContact CD2-CD2 4.31Å; L252-A613 HydrophobicContact CD2-CB 4.06Å
253D85.6Confident86.8Confident67 Ų6754.2 Ų54.236%0.35828%0.279SS..Hα-helixtrans-66.9-39176.4-59.1-48.7000111.3Q249 S250 A255 K256Q249-D253 HydrophobicContact CB-CB 4.01Å; Q249-D253 HydrophobicContact CG-CB 4.17Å; S250-D253 WeakPolarHBondContact CB-OD2 3.43Å; S250-D253 PolarHBondContact N-OD2 2.85Å; S250-D253 VanDerWaalsContact N-OD2 3.11Å; S250-D253 WeakPolarHBondContact O-CB 3.41Å; S250-D253 PolarHBondContact O-N 2.96Å; S250-D253 PolarHBondContact OG-N 2.81Å; S250-D253 PolarHBondContact OG-OD2 3.41Å; D253-A255 VanDerWaalsContact C-N 3.35Å; D253-A255 PolarHBondContact O-N 3.24Å; D253-K256 WeakPolarHBondContact O-CB 3.49Å; D253-K256 PolarHBondContact O-N 2.91Å
254K84.7Confident87.4Confident31 Ų3150.5 Ų50.514%0.13526%0.257CS..Hα-helixtrans-61.9-42.2173.8-65.2179.1-176.9-175.30111.3Q249 S250 L251 K256 I257 E314 E315Q249-K254 HydrophobicContact CB-CG 4.08Å; S250-K254 PolarHBondContact O-N 3.05Å; L251-K254 HydrophobicContact CD2-CD 4.48Å; L251-K254 PolarHBondContact O-N 2.85Å; K254-K256 VanDerWaalsContact C-N 3.25Å; K254-K256 PolarHBondContact O-N 2.96Å; K254-I257 PolarHBondContact O-N 2.94Å; K254-E314 WeakPolarHBondContact CE-O 3.2Å; K254-E314 PolarHBondContact NZ-O 2.86Å; K254-E315 WeakPolarHBondContact CE-O 3.36Å; K254-E315 PolarHBondContact NZ-O 3Å
255A88.7Confident87.9Confident2 Ų245 Ų452%0.01724%0.235CC..Hα-helixtrans-63-30.9176.700000112.8L251 L252 D253 I257 N258 H587 L600L251-A255 WeakPolarHBondContact O-CB 3.41Å; L251-A255 PolarHBondContact O-N 3.37Å; L252-A255 PolarHBondContact O-N 3.49Å; D253-A255 VanDerWaalsContact C-N 3.35Å; D253-A255 PolarHBondContact O-N 3.24Å; A255-I257 VanDerWaalsContact C-N 3.3Å; A255-I257 PolarHBondContact O-N 3.44Å; A255-N258 PolarHBondContact O-N 3.13Å; A255-H587 WeakPolarHBondContact CA-O 3.39Å; A255-H587 HydrophobicContact CB-CB 4Å; A255-H587 WeakPolarHBondContact CB-O 3.48Å; A255-L600 HydrophobicContact CB-CD2 4.01Å
256K87.6Confident88.5Confident90 Ų9045.3 Ų45.339%0.39123%0.23SC..Hα-helixtrans-66.7-27.3175.8-72.8176.4-175.2-179.40113.6L252 D253 K254 N258 Q259 E655L252-K256 WeakPolarHBondContact O-CG 3.11Å; L252-K256 PolarHBondContact O-N 2.98Å; L252-K256 VanDerWaalsContact O-N 3.15Å; D253-K256 WeakPolarHBondContact O-CB 3.49Å; D253-K256 PolarHBondContact O-N 2.91Å; K254-K256 VanDerWaalsContact C-N 3.25Å; K254-K256 PolarHBondContact O-N 2.96Å; K256-N258 PolarHBondContact O-N 3.22Å; K256-Q259 WeakPolarHBondContact O-CG 3.42Å; K256-Q259 PolarHBondContact O-N 3.36Å; K256-E655 VanDerWaalsContact CE-OE1 3.26Å; K256-E655 WeakPolarHBondContact CE-OE1 3.47Å; K256-E655 WeakPolarHBondContact CE-OE2 3.45Å; K256-E655 WeakPolarHBondContact CG-OE2 3.35Å; K256-E655 IonicContact NZ-OE1 2.72Å
257I87.8Confident89.1Confident44 Ų4444 Ų4423%0.22623%0.225CC..Hα-helixtrans-63.7-33.2177.7-63.5173000110.1L141 P144 K254 A255 Q259 G260L141-I257 HydrophobicContact CD2-CG2 4.02Å; P144-I257 HydrophobicContact CG-CG1 4.26Å; P144-I257 HydrophobicContact CG-CG2 4.36Å; K254-I257 PolarHBondContact O-N 2.94Å; A255-I257 VanDerWaalsContact C-N 3.3Å; A255-I257 PolarHBondContact O-N 3.44Å; I257-Q259 PolarHBondContact O-N 2.94Å; I257-Q259 VanDerWaalsContact O-N 3.13Å; I257-G260 PolarHBondContact O-N 3.39Å
258N91.1Very high89.9Confident23 Ų2339 Ų3912%0.12320%0.203CC..G310 helixtrans-70.9-6.4-175.7-63.1-45.5000115A255 K256 W261 T586 H587 F588A255-N258 PolarHBondContact O-N 3.13Å; K256-N258 PolarHBondContact O-N 3.22Å; N258-W261 VanDerWaalsContact O-CD1 3.24Å; N258-W261 PolarHBondContact OD1-NE1 2.91Å; N258-T586 HydrophobicContact CB-CG2 4.36Å; N258-T586 WeakPolarHBondContact ND2-CG2 3.44Å; N258-H587 PolarHBondContact ND2-O 2.97Å; N258-F588 HydrophobicContact CB-CD1 4.1Å; N258-F588 HydrophobicContact CB-CE1 3.55Å; N258-F588 HydrophobicContact CB-CZ 4.08Å
259Q88.8Confident90.9Very high79 Ų7935.3 Ų35.337%0.36918%0.178SC..G310 helixtrans-77.1-14.3169.213-168.4-65.900112.3K256 I257 W261 E655 V656K256-Q259 WeakPolarHBondContact O-CG 3.42Å; K256-Q259 PolarHBondContact O-N 3.36Å; I257-Q259 PolarHBondContact O-N 2.94Å; I257-Q259 VanDerWaalsContact O-N 3.13Å; Q259-W261 VanDerWaalsContact C-N 3.29Å; Q259-W261 PolarHBondContact O-N 3.04Å; Q259-E655 PolarHBondContact NE2-OE2 3.39Å; Q259-E655 PolarHBondContact OE1-O 3.44Å; Q259-V656 HydrophobicContact CB-CB 4.28Å; Q259-V656 HydrophobicContact CB-CG1 4.24Å; Q259-V656 HydrophobicContact CB-CG2 3.7Å; Q259-V656 HydrophobicContact CG-CG2 3.72Å
260G92.3Very high91.6Very high13 Ų1333.7 Ų33.713%0.13417%0.17CC..G310 helixtrans-76.8-11.3179.300000114.5R142 I257 L262R142-G260 WeakPolarHBondContact CG-O 3.49Å; R142-G260 PolarHBondContact N-O 2.92Å; I257-G260 PolarHBondContact O-N 3.39Å; G260-L262 PolarHBondContact O-N 3.18Å
261W96Very high91.9Very high22 Ų2232.2 Ų32.28%0.08316%0.157CC..BIsolated β-bridgetrans-62.6128.8-176.8-74.8111.4000110L141 N258 Q259 R282 K284 V660 F664L141-W261 HydrophobicContact CB-CD2 4.27Å; L141-W261 HydrophobicContact CB-CE3 3.91Å; L141-W261 HydrophobicContact CB-CH2 4.42Å; L141-W261 HydrophobicContact CB-CZ3 3.98Å; L141-W261 HydrophobicContact CD1-CD2 3.96Å; L141-W261 HydrophobicContact CD1-CE3 4.44Å; L141-W261 HydrophobicContact CD1-CG 4.02Å; N258-W261 VanDerWaalsContact O-CD1 3.24Å; N258-W261 PolarHBondContact OD1-NE1 2.91Å; Q259-W261 VanDerWaalsContact C-N 3.29Å; Q259-W261 PolarHBondContact O-N 3.04Å; W261-R282 HydrophobicContact CH2-CB 3.72Å; W261-R282 HydrophobicContact CZ3-CB 4.31Å; W261-K284 HydrophobicContact CD2-CD 4.1Å; W261-K284 HydrophobicContact CD2-CG 4.18Å; W261-K284 HydrophobicContact CE3-CB 4.31Å; W261-K284 HydrophobicContact CE3-CD 3.79Å; W261-K284 HydrophobicContact CE3-CG 4.04Å; W261-K284 HydrophobicContact CH2-CB 3.48Å; W261-K284 VanDerWaalsContact CH2-CB 3.48Å; W261-K284 HydrophobicContact CH2-CD 4.43Å; W261-K284 HydrophobicContact CH2-CG 3.81Å; W261-K284 HydrophobicContact CZ2-CB 4.07Å; W261-K284 HydrophobicContact CZ2-CG 3.97Å; W261-K284 HydrophobicContact CZ3-CB 3.64Å; W261-K284 HydrophobicContact CZ3-CD 3.98Å; W261-K284 HydrophobicContact CZ3-CG 3.87Å; W261-V660 HydrophobicContact CB-CG1 4.13Å; W261-F664 AromaticContact CD1-CE2 3.76Å; W261-F664 AromaticContact CD1-CZ 4Å; W261-F664 HydrophobicContact CG-CE2 4.26Å; W261-F664 AromaticContact NE1-CZ 3.78Å
262L96.4Very high92.4Very high1 Ų135.3 Ų35.31%0.00517%0.174CC..  trans-72.7145.9175.8-61.9-167.1000110.7V119 L140 R142 G260 S264 L268 V273 L279V119-L262 HydrophobicContact CG1-CB 4.16Å; V119-L262 HydrophobicContact CG2-CB 4.29Å; V119-L262 HydrophobicContact CG2-CD1 4.17Å; L140-L262 HydrophobicContact CB-CD1 3.83Å; L140-L262 HydrophobicContact CB-CG 4.17Å; L140-L262 HydrophobicContact CD1-CD1 4.36Å; L140-L262 PolarHBondContact O-N 3.49Å; R142-L262 HydrophobicContact CG-CD2 3.83Å; R142-L262 VanDerWaalsContact NE-CD2 3.34Å; R142-L262 VanDerWaalsContact NH2-CD2 3.29Å; G260-L262 PolarHBondContact O-N 3.18Å; L262-S264 PolarHBondContact O-N 3.04Å; L262-L268 HydrophobicContact CD1-CD2 3.67Å; L262-V273 HydrophobicContact CD1-CG2 4.09Å; L262-L279 HydrophobicContact CD1-CD1 3.78Å; L262-L279 HydrophobicContact CD1-CD2 4.47Å
263D95.3Very high92.8Very high21 Ų2133 Ų3311%0.11216%0.162CC..  trans-69.7113.7172.2-180-14.6000108.9S265 R266 Q271 K659D263-S265 PolarHBondContact O-N 3.45Å; D263-S265 WeakPolarHBondContact OD1-CA 3.42Å; D263-S265 WeakPolarHBondContact OD1-CB 3.37Å; D263-S265 PolarHBondContact OD1-N 3.04Å; D263-S265 PolarHBondContact OD1-OG 2.86Å; D263-S265 PolarHBondContact OD2-OG 3.11Å; D263-R266 HydrophobicContact CB-CB 4.39Å; D263-R266 HydrophobicContact CB-CG 4.48Å; D263-R266 PolarHBondContact O-N 3.48Å; D263-R266 WeakPolarHBondContact OD2-CD 3.13Å; D263-Q271 PolarHBondContact O-NE2 3.5Å; D263-K659 WeakPolarHBondContact OD2-CE 3.39Å
264S96.6Very high93.1Very high3 Ų336.9 Ų36.92%0.02118%0.175CC..THydrogen-bonded Turntrans-65.5-18.1-176.6-65.70000113.4V119 F120 L262 E663V119-S264 PolarHBondContact N-O 2.9Å; F120-S264 WeakPolarHBondContact CB-O 3.41Å; F120-S264 PolarHBondContact N-O 3.3Å; L262-S264 PolarHBondContact O-N 3.04Å; S264-E663 WeakPolarHBondContact CB-OE1 3.28Å; S264-E663 PolarHBondContact N-OE2 3.19Å; S264-E663 VanDerWaalsContact N-OE2 3.13Å; S264-E663 PolarHBondContact OG-OE1 2.78Å
265S94.6Very high93.4Very high18 Ų1840.3 Ų40.313%0.12619%0.192CC..THydrogen-bonded Turntrans-89.9-8.5-178.571.90000114.7R118 D263R118-S265 WeakPolarHBondContact CD-O 3.18Å; R118-S265 WeakPolarHBondContact CG-O 3.33Å; R118-S265 PolarHBondContact NE-O 3.32Å; D263-S265 PolarHBondContact O-N 3.45Å; D263-S265 WeakPolarHBondContact OD1-CA 3.42Å; D263-S265 WeakPolarHBondContact OD1-CB 3.37Å; D263-S265 PolarHBondContact OD1-N 3.04Å; D263-S265 PolarHBondContact OD1-OG 2.86Å; D263-S265 PolarHBondContact OD2-OG 3.11Å
266R94.8Very high93.6Very high92 Ų9243.7 Ų43.735%0.34721%0.21SC..SBendtrans-114.8160.5-179.7-66.2-176.670.7-159.6-1111.3V119 D263 E270 Q271V119-R266 WeakPolarHBondContact CG2-O 3.23Å; V119-R266 PolarHBondContact N-O 3.32Å; D263-R266 HydrophobicContact CB-CB 4.39Å; D263-R266 HydrophobicContact CB-CG 4.48Å; D263-R266 PolarHBondContact O-N 3.48Å; D263-R266 WeakPolarHBondContact OD2-CD 3.13Å; R266-E270 VanDerWaalsContact CA-OE2 3.29Å; R266-E270 WeakPolarHBondContact CA-OE2 3.46Å; R266-E270 HydrophobicContact CB-CB 4.31Å; R266-E270 WeakPolarHBondContact CB-OE2 3.49Å; R266-E270 IonicContact NE-OE2 3.96Å; R266-E270 PolarHBondContact NH2-O 3.49Å; R266-Q271 HydrophobicContact CB-CG 4.24Å; R266-Q271 PolarHBondContact O-NE2 3.25Å
267S97Very high93.8Very high2 Ų241.8 Ų41.81%0.01420%0.204CC..BIsolated β-bridgetrans-76.6163.2177.7111.80000112.4W71 F115 S116 D117 M269 E270 Q271W71-S267 PolarHBondContact NE1-OG 2.88Å; F115-S267 VanDerWaalsContact O-CB 3.28Å; F115-S267 WeakPolarHBondContact O-CB 3.3Å; F115-S267 PolarHBondContact O-OG 3.48Å; S116-S267 WeakPolarHBondContact O-CB 3.48Å; D117-S267 WeakPolarHBondContact O-CA 3.3Å; D117-S267 VanDerWaalsContact O-CB 3.3Å; D117-S267 WeakPolarHBondContact O-CB 3.42Å; S267-M269 VanDerWaalsContact C-N 3.34Å; S267-M269 PolarHBondContact O-N 2.91Å; S267-M269 PolarHBondContact OG-N 3.48Å; S267-E270 PolarHBondContact N-OE2 2.93Å; S267-E270 PolarHBondContact O-N 2.98Å; S267-E270 PolarHBondContact OG-N 3.25Å; S267-Q271 WeakPolarHBondContact O-CG 3.37Å; S267-Q271 PolarHBondContact O-NE2 2.99Å
268L97.1Very high94.1Very high0 Ų041 Ų410%020%0.201CC..THydrogen-bonded Turntrans-59-44.5175-70172.6000111.7L99 V113 F115 V119 L140 L262 E270 Q271 V273 L279L99-L268 HydrophobicContact CD2-CD1 4.42Å; V113-L268 HydrophobicContact CG1-CD1 4.03Å; F115-L268 HydrophobicContact CB-CB 4.34Å; F115-L268 HydrophobicContact CD1-CB 3.93Å; F115-L268 HydrophobicContact CD2-CB 4.47Å; F115-L268 HydrophobicContact CD2-CD1 3.74Å; F115-L268 HydrophobicContact CE1-CB 4.38Å; F115-L268 HydrophobicContact CE2-CD1 3.85Å; F115-L268 HydrophobicContact CG-CB 3.99Å; F115-L268 HydrophobicContact CG-CD1 4.12Å; F115-L268 HydrophobicContact CZ-CD1 4.32Å; V119-L268 HydrophobicContact CG2-CD2 3.8Å; V119-L268 HydrophobicContact CG2-CG 4.2Å; L140-L268 HydrophobicContact CD1-CD2 3.87Å; L262-L268 HydrophobicContact CD1-CD2 3.67Å; L268-E270 VanDerWaalsContact C-N 3.34Å; L268-E270 PolarHBondContact O-N 2.97Å; L268-Q271 PolarHBondContact O-N 3.32Å; L268-V273 HydrophobicContact CB-CB 4.07Å; L268-V273 HydrophobicContact CB-CG1 4.48Å; L268-V273 HydrophobicContact CB-CG2 4.37Å; L268-V273 HydrophobicContact CD2-CB 4.45Å; L268-V273 HydrophobicContact CD2-CG1 4.46Å; L268-V273 HydrophobicContact CD2-CG2 4.09Å; L268-V273 WeakPolarHBondContact O-CB 3.34Å; L268-V273 WeakPolarHBondContact O-CG2 3.24Å; L268-V273 PolarHBondContact O-N 3.36Å; L268-V273 VanDerWaalsContact O-N 3.13Å; L268-L279 HydrophobicContact CD2-CD1 3.95Å
269M95.5Very high94.4Very high25 Ų2540 Ų4012%0.12320%0.196CC..G310 helixtrans-68.6-32.5-178.8-130.7-130-75.300112.7W64 W71 T93 F115 S267 Q271 D272W64-M269 HydrophobicContact CB-CE 3.51Å; W64-M269 HydrophobicContact CB-SD 4.48Å; W64-M269 HydrophobicContact CD2-CE 3.31Å; W64-M269 HydrophobicContact CD2-SD 3.36Å; W64-M269 HydrophobicContact CE3-CE 3.69Å; W64-M269 HydrophobicContact CE3-SD 3.98Å; W64-M269 HydrophobicContact CG-CE 3.22Å; W64-M269 HydrophobicContact CG-SD 3.59Å; W64-M269 VanDerWaalsContact CG-SD 3.59Å; W64-M269 HydrophobicContact CH2-CB 4.09Å; W64-M269 HydrophobicContact CH2-SD 4.23Å; W64-M269 HydrophobicContact CZ2-CB 4.34Å; W64-M269 HydrophobicContact CZ2-CG 4.47Å; W64-M269 HydrophobicContact CZ2-SD 3.66Å; W64-M269 HydrophobicContact CZ3-CB 4.21Å; W64-M269 HydrophobicContact CZ3-CE 4.48Å; W64-M269 HydrophobicContact CZ3-SD 4.38Å; W64-M269 PolarHBondContact NE1-SD 3.45Å; W71-M269 HydrophobicContact CD2-CE 4.27Å; W71-M269 HydrophobicContact CE3-CE 4.41Å; W71-M269 HydrophobicContact CH2-CE 3.34Å; W71-M269 HydrophobicContact CZ2-CB 4.09Å; W71-M269 HydrophobicContact CZ2-CE 3.11Å; W71-M269 HydrophobicContact CZ2-CG 4.38Å; W71-M269 HydrophobicContact CZ3-CE 3.98Å; T93-M269 HydrophobicContact CG2-CE 3.85Å; F115-M269 HydrophobicContact CB-CB 4.48Å; F115-M269 PolarHBondContact O-N 3.27Å; S267-M269 VanDerWaalsContact C-N 3.34Å; S267-M269 PolarHBondContact O-N 2.91Å; S267-M269 PolarHBondContact OG-N 3.48Å; M269-Q271 PolarHBondContact O-N 2.98Å; M269-D272 PolarHBondContact O-N 3.46Å; M269-D272 VanDerWaalsContact O-N 3.16Å
270E95.5Very high94.7Very high40 Ų4037 Ų3719%0.18718%0.182CC..G310 helixtrans-63.3-19.2174.8-66-173.6132.800113.9W64 K69 R266 S267 L268W64-E270 HydrophobicContact CH2-CB 4.38Å; W64-E270 HydrophobicContact CH2-CG 3.8Å; W64-E270 HydrophobicContact CZ3-CG 3.93Å; K69-E270 WeakPolarHBondContact O-CG 3.43Å; R266-E270 VanDerWaalsContact CA-OE2 3.29Å; R266-E270 WeakPolarHBondContact CA-OE2 3.46Å; R266-E270 HydrophobicContact CB-CB 4.31Å; R266-E270 WeakPolarHBondContact CB-OE2 3.49Å; R266-E270 IonicContact NE-OE2 3.96Å; R266-E270 PolarHBondContact NH2-O 3.49Å; S267-E270 PolarHBondContact N-OE2 2.93Å; S267-E270 PolarHBondContact O-N 2.98Å; S267-E270 PolarHBondContact OG-N 3.25Å; L268-E270 VanDerWaalsContact C-N 3.34Å; L268-E270 PolarHBondContact O-N 2.97Å
271Q94.4Very high95Very high25 Ų2536.3 Ų36.312%0.11718%0.176CC..G310 helixtrans-105.912.7-179.1-59.2-177.764.500112R142 D263 R266 S267 L268 M269 V273R142-Q271 PolarHBondContact NH2-O 3.25Å; D263-Q271 PolarHBondContact O-NE2 3.5Å; R266-Q271 HydrophobicContact CB-CG 4.24Å; R266-Q271 PolarHBondContact O-NE2 3.25Å; S267-Q271 WeakPolarHBondContact O-CG 3.37Å; S267-Q271 PolarHBondContact O-NE2 2.99Å; L268-Q271 PolarHBondContact O-N 3.32Å; M269-Q271 PolarHBondContact O-N 2.98Å; Q271-V273 VanDerWaalsContact C-N 3.31Å; Q271-V273 PolarHBondContact O-N 2.95Å
272D94.1Very high95.1Very high93 Ų9336.8 Ų36.850%0.49718%0.177SC..THydrogen-bonded Turntrans63.332.6-178-46.8-50.7000113.6K69 M269K69-D272 WeakPolarHBondContact CE-OD1 3.5Å; K69-D272 IonicContact NZ-OD1 3.43Å; K69-D272 PolarHBondContact NZ-OD1 3.33Å; K69-D272 IonicContact NZ-OD2 2.73Å; K69-D272 PolarHBondContact NZ-OD2 2.9Å; M269-D272 PolarHBondContact O-N 3.46Å; M269-D272 VanDerWaalsContact O-N 3.16Å
273V95.1Very high95.1Very high3 Ų336.9 Ų36.92%0.01818%0.178CC..PPolyproline II helixtrans-81.7126.9163.8-176.50000108.3L99 F115 R142 L262 L268 Q271 D277 L279L99-V273 HydrophobicContact CD1-CG1 4.02Å; F115-V273 HydrophobicContact CE1-CB 4.42Å; F115-V273 HydrophobicContact CE1-CG1 3.98Å; F115-V273 HydrophobicContact CZ-CG1 4.3Å; R142-V273 VanDerWaalsContact NH2-CG2 3.27Å; L262-V273 HydrophobicContact CD1-CG2 4.09Å; L268-V273 HydrophobicContact CB-CB 4.07Å; L268-V273 HydrophobicContact CB-CG1 4.48Å; L268-V273 HydrophobicContact CB-CG2 4.37Å; L268-V273 HydrophobicContact CD2-CB 4.45Å; L268-V273 HydrophobicContact CD2-CG1 4.46Å; L268-V273 HydrophobicContact CD2-CG2 4.09Å; L268-V273 WeakPolarHBondContact O-CB 3.34Å; L268-V273 WeakPolarHBondContact O-CG2 3.24Å; L268-V273 PolarHBondContact O-N 3.36Å; L268-V273 VanDerWaalsContact O-N 3.13Å; Q271-V273 VanDerWaalsContact C-N 3.31Å; Q271-V273 PolarHBondContact O-N 2.95Å; V273-D277 HydrophobicContact CG1-CB 4.07Å; V273-L279 HydrophobicContact CG1-CD1 3.99Å; V273-L279 HydrophobicContact CG2-CD1 4.21Å
274K92.6Very high95.2Very high147 Ų14736 Ų3664%0.63917%0.173SC*.PPolyproline II helixtrans-100.5164178.3-61.3-176.6-179.9-175.30111.2D277K274-D277 PolarHBondContact N-OD2 2.78Å; K274-D277 VanDerWaalsContact O-CB 3.32Å; K274-D277 WeakPolarHBondContact O-CB 3.33Å; K274-D277 PolarHBondContact O-N 3.18Å
275E91.4Very high95.2Very high104 Ų10436 Ų3649%0.48617%0.172SC..THydrogen-bonded Turntrans-59139.6170.2-173.2163.2-155.500110.5K97 L98 D277K97-E275 HydrophobicContact CB-CB 4.25Å; K97-E275 HydrophobicContact CB-CG 4.09Å; K97-E275 HydrophobicContact CD-CB 4.25Å; L98-E275 HydrophobicContact CB-CG 4.18Å; L98-E275 PolarHBondContact N-OE1 3.26Å; E275-D277 PolarHBondContact O-N 2.93Å
276N91.2Very high95.2Very high73 Ų7336.4 Ų36.439%0.3917%0.172SC..THydrogen-bonded Turntrans66.16-175-62.2-58.5000116.5L98 R100L98-N276 WeakPolarHBondContact CD2-OD1 3.47Å; L98-N276 WeakPolarHBondContact CG-OD1 3.46Å; L98-N276 PolarHBondContact O-N 3.47Å; R100-N276 PolarHBondContact NE-O 2.93Å; R100-N276 PolarHBondContact NH2-O 3.08Å
277D92.9Very high95.1Very high50 Ų5033.8 Ų33.827%0.26717%0.168SC..  trans-60.5149.6171-83.4-5.5000111L99 R100 V273 K274 E275L99-D277 WeakPolarHBondContact CD1-O 3.47Å; R100-D277 PolarHBondContact N-O 2.69Å; V273-D277 HydrophobicContact CG1-CB 4.07Å; K274-D277 PolarHBondContact N-OD2 2.78Å; K274-D277 VanDerWaalsContact O-CB 3.32Å; K274-D277 WeakPolarHBondContact O-CB 3.33Å; K274-D277 PolarHBondContact O-N 3.18Å; E275-D277 PolarHBondContact O-N 2.93Å
278V94Very high94.9Very high27 Ų2735.1 Ų35.116%0.16417%0.174CC..EExtended strand (participates in β ladder)trans-94121.9174.3-175.10000109.9R100 Q102R100-V278 HydrophobicContact CB-CB 4.49Å; R100-V278 HydrophobicContact CB-CG2 3.94Å; R100-V278 CarbonylContact O-C 3.53Å; R100-V278 VanDerWaalsContact O-CA 3.28Å; R100-V278 WeakPolarHBondContact O-CA 3.45Å; Q102-V278 HydrophobicContact CB-CG1 4.48Å
279L96.4Very high94.4Very high3 Ų337.4 Ų37.42%0.01618%0.184CC..EExtended strand (participates in β ladder)trans-119.7148.8170.4-65.1-179.9000110.3L99 R100 L101 Q102 L140 R142 L262 L268 V273L99-L279 HydrophobicContact CD1-CD1 3.82Å; L99-L279 HydrophobicContact CD1-CG 4.01Å; L99-L279 HydrophobicContact CD2-CD1 4.11Å; R100-L279 PolarHBondContact O-N 3.26Å; L101-L279 CarbonylContact C-O 3.58Å; L101-L279 WeakPolarHBondContact CA-O 3.17Å; L101-L279 HydrophobicContact CD2-CB 4.21Å; Q102-L279 PolarHBondContact N-O 3.35Å; L140-L279 HydrophobicContact CB-CD1 4.3Å; L140-L279 HydrophobicContact CD1-CD1 4Å; L140-L279 HydrophobicContact CD2-CB 4.44Å; R142-L279 HydrophobicContact CG-CD2 3.97Å; L262-L279 HydrophobicContact CD1-CD1 3.78Å; L262-L279 HydrophobicContact CD1-CD2 4.47Å; L268-L279 HydrophobicContact CD2-CD1 3.95Å; V273-L279 HydrophobicContact CG1-CD1 3.99Å; V273-L279 HydrophobicContact CG2-CD1 4.21Å
280L96.8Very high93.9Very high14 Ų1438.9 Ų38.97%0.07319%0.192CC..EExtended strand (participates in β ladder)trans-92.5123.3176.8-45.1179.3000108.2Q102 L140 L141 K143 R282Q102-L280 HydrophobicContact CB-CD2 3.64Å; Q102-L280 HydrophobicContact CG-CD2 4.16Å; L140-L280 WeakPolarHBondContact CA-O 3.2Å; L141-L280 HydrophobicContact CB-CB 4.13Å; L141-L280 HydrophobicContact CD2-CD1 3.88Å; L141-L280 HydrophobicContact CG-CD1 4.14Å; L141-L280 PolarHBondContact N-O 3.47Å; L141-L280 WeakPolarHBondContact O-CB 3.47Å; L141-L280 PolarHBondContact O-N 2.9Å; K143-L280 HydrophobicContact CB-CD2 4.48Å; L280-R282 HydrophobicContact CB-CG 4.11Å
281L97.2Very high93.6Very high0 Ų038.6 Ų38.60%019%0.192CC..EExtended strand (participates in β ladder)trans-85.4121.9165.2-176.666000107.6Q102 L103 P104 V123 I126 F130 L138 L140Q102-L281 PolarHBondContact O-N 2.88Å; L103-L281 HydrophobicContact CD2-CB 4.34Å; L103-L281 HydrophobicContact CD2-CD2 3.76Å; P104-L281 VanDerWaalsContact CD-O 3.31Å; P104-L281 WeakPolarHBondContact CD-O 3.36Å; P104-L281 WeakPolarHBondContact CG-O 3.48Å; V123-L281 HydrophobicContact CG1-CD1 4.48Å; I126-L281 HydrophobicContact CG2-CD2 4.2Å; F130-L281 HydrophobicContact CD2-CD2 4.37Å; L138-L281 HydrophobicContact CB-CD1 4.21Å; L138-L281 HydrophobicContact CD2-CD1 4.18Å; L138-L281 HydrophobicContact CD2-CD2 4.3Å; L138-L281 HydrophobicContact CD2-CG 4.04Å; L140-L281 HydrophobicContact CD2-CD1 4.1Å
282R97.5Very high93Very high32 Ų3239.5 Ų39.512%0.12120%0.197CC..EExtended strand (participates in β ladder)trans-140.8148.1-175.8-68.3-65.9-178.1-94.68110.7Q102 L103 L138 S139 L141 W261 L280 K284Q102-R282 PolarHBondContact O-NH1 3.11Å; Q102-R282 VanDerWaalsContact O-NH1 3.11Å; L103-R282 PolarHBondContact O-NH1 3.43Å; L138-R282 VanDerWaalsContact CA-O 3.3Å; L138-R282 WeakPolarHBondContact CA-O 3.33Å; S139-R282 PolarHBondContact N-O 3.45Å; S139-R282 PolarHBondContact O-N 2.9Å; L141-R282 HydrophobicContact CD2-CG 4.44Å; W261-R282 HydrophobicContact CH2-CB 3.72Å; W261-R282 HydrophobicContact CZ3-CB 4.31Å; L280-R282 HydrophobicContact CB-CG 4.11Å; R282-K284 PolarHBondContact O-N 2.96Å
283F97.8Very high92.4Very high3 Ų337.5 Ų37.51%0.01319%0.189CC..EExtended strand (participates in β ladder)trans-67.6111.6164-67-95.5000107.6P104 E137 L138 F288 R299 Q302 L303 Q306P104-F283 HydrophobicContact CG-CD2 4.43Å; P104-F283 HydrophobicContact CG-CE2 4.36Å; E137-F283 HydrophobicContact CB-CD1 4.35Å; E137-F283 CarbonylContact O-C 3.54Å; L138-F283 HydrophobicContact CD1-CD1 4.06Å; L138-F283 HydrophobicContact CD1-CE1 3.83Å; L138-F283 HydrophobicContact CD1-CZ 4.4Å; L138-F283 HydrophobicContact CD2-CD1 4.38Å; L138-F283 HydrophobicContact CD2-CD2 4.32Å; L138-F283 HydrophobicContact CD2-CE1 4.25Å; L138-F283 HydrophobicContact CD2-CE2 4.17Å; L138-F283 HydrophobicContact CD2-CG 4.42Å; L138-F283 HydrophobicContact CD2-CZ 4.13Å; L138-F283 HydrophobicContact CG-CD1 3.91Å; L138-F283 HydrophobicContact CG-CE1 4.04Å; L138-F283 HydrophobicContact CG-CG 4.21Å; L138-F283 HydrophobicContact CG-CZ 4.43Å; F283-F288 HydrophobicContact CB-CE1 4.24Å; F283-F288 HydrophobicContact CD1-CD1 4.28Å; F283-F288 AromaticContact CD1-CE1 3.92Å; F283-F288 HydrophobicContact CD1-CE1 3.92Å; F283-F288 HydrophobicContact CG-CE1 4.35Å; F283-R299 HydrophobicContact CE1-CG 4.21Å; F283-R299 HydrophobicContact CZ-CG 4.16Å; F283-Q302 HydrophobicContact CE2-CB 4.01Å; F283-Q302 HydrophobicContact CZ-CB 4.46Å; F283-L303 HydrophobicContact CB-CD1 4.37Å; F283-L303 HydrophobicContact CD1-CD1 4.09Å; F283-L303 HydrophobicContact CD2-CB 4.45Å; F283-L303 HydrophobicContact CD2-CD1 3.91Å; F283-L303 HydrophobicContact CE1-CB 4.37Å; F283-L303 HydrophobicContact CE1-CD1 4.35Å; F283-L303 HydrophobicContact CE2-CB 3.89Å; F283-L303 HydrophobicContact CE2-CD1 4.2Å; F283-L303 HydrophobicContact CG-CD1 3.86Å; F283-L303 HydrophobicContact CZ-CB 3.84Å; F283-L303 HydrophobicContact CZ-CD1 4.4Å; F283-Q306 PolarHBondContact O-NE2 2.89Å
284K97Very high91.5Very high1 Ų142.7 Ų42.70%0.00421%0.211CC..  trans-85.1-43.6-176.4-179.5173.5176.5171.30110.9E137 W261 R282 E663 F664E137-K284 PolarHBondContact O-N 3.27Å; W261-K284 HydrophobicContact CD2-CD 4.1Å; W261-K284 HydrophobicContact CD2-CG 4.18Å; W261-K284 HydrophobicContact CE3-CB 4.31Å; W261-K284 HydrophobicContact CE3-CD 3.79Å; W261-K284 HydrophobicContact CE3-CG 4.04Å; W261-K284 HydrophobicContact CH2-CB 3.48Å; W261-K284 VanDerWaalsContact CH2-CB 3.48Å; W261-K284 HydrophobicContact CH2-CD 4.43Å; W261-K284 HydrophobicContact CH2-CG 3.81Å; W261-K284 HydrophobicContact CZ2-CB 4.07Å; W261-K284 HydrophobicContact CZ2-CG 3.97Å; W261-K284 HydrophobicContact CZ3-CB 3.64Å; W261-K284 HydrophobicContact CZ3-CD 3.98Å; W261-K284 HydrophobicContact CZ3-CG 3.87Å; R282-K284 PolarHBondContact O-N 2.96Å; K284-E663 IonicContact NZ-OE1 2.65Å; K284-E663 PolarHBondContact NZ-OE1 3.26Å; K284-E663 IonicContact NZ-OE2 3.19Å; K284-F664 HydrophobicContact CD-CZ 4.19Å; K284-F664 VanDerWaalsContact CE-CE2 3.47Å; K284-F664 HydrophobicContact CG-CE1 3.79Å; K284-F664 HydrophobicContact CG-CE2 4.42Å; K284-F664 HydrophobicContact CG-CZ 3.62Å
285Y96.6Very high90.8Very high3 Ų338.8 Ų38.81%0.01219%0.193CC..SBendtrans-106.1124.2-175-56.6-79.4000110.8E136 E137 S287 F288 E663 F664 Y668 L671E136-Y285 WeakPolarHBondContact O-CD2 3.24Å; E136-Y285 WeakPolarHBondContact O-CE2 3.4Å; E137-Y285 PolarHBondContact O-N 3.48Å; Y285-S287 PolarHBondContact O-N 2.95Å; Y285-F288 WeakPolarHBondContact O-CE1 3.43Å; Y285-E663 PolarHBondContact OH-O 3.34Å; Y285-F664 HydrophobicContact CD1-CD1 4.29Å; Y285-F664 HydrophobicContact CE1-CD1 4.05Å; Y285-F664 HydrophobicContact CE1-CE1 4.49Å; Y285-Y668 AromaticContact CD1-CD1 3.86Å; Y285-Y668 HydrophobicContact CD1-CD1 3.86Å; Y285-Y668 HydrophobicContact CD1-CD2 4.21Å; Y285-Y668 AromaticContact CD1-CE1 3.85Å; Y285-Y668 HydrophobicContact CD1-CE1 3.85Å; Y285-Y668 HydrophobicContact CD1-CE2 4.2Å; Y285-Y668 HydrophobicContact CD1-CG 4.06Å; Y285-Y668 HydrophobicContact CG-CD1 4.49Å; Y285-Y668 HydrophobicContact CG-CE1 4.32Å; Y285-L671 HydrophobicContact CD1-CD1 3.91Å; Y285-L671 HydrophobicContact CD2-CD1 3.82Å; Y285-L671 HydrophobicContact CG-CD1 3.38Å
286H94.3Very high90.5Very high28 Ų2833.9 Ų33.913%0.1317%0.17CC..SBendtrans-87.847.6-175.7-6681000112.2W577 F583 G584 Y668H286-W577 AromaticContact CD2-CH2 3.53Å; H286-W577 AromaticContact CD2-CZ2 3.8Å; H286-W577 AromaticContact NE2-CH2 3.78Å; H286-W577 AromaticContact NE2-CZ2 3.81Å; H286-F583 HydrophobicContact CB-CE1 4.2Å; H286-F583 HydrophobicContact CB-CE2 4.37Å; H286-F583 HydrophobicContact CB-CZ 3.78Å; H286-F583 AromaticContact CD2-CE2 3.74Å; H286-G584 VanDerWaalsContact CB-CA 3.5Å; H286-Y668 PolarHBondContact N-OH 3.28Å
287S92.4Very high90.2Very high37 Ų3730.5 Ų30.526%0.25915%0.153SC..  trans-135.787177.4177.10000108.6Y285 F289Y285-S287 PolarHBondContact O-N 2.95Å; S287-F289 PolarHBondContact O-N 3.11Å
288F92.7Very high90Very high29 Ų2928.2 Ų28.213%0.12714%0.141CC..  trans-86111.3-173-46.1-60.3000110.9E137 F283 Y285 L303 W577 F583E137-F288 WeakPolarHBondContact OE1-CA 3.36Å; F283-F288 HydrophobicContact CB-CE1 4.24Å; F283-F288 HydrophobicContact CD1-CD1 4.28Å; F283-F288 AromaticContact CD1-CE1 3.92Å; F283-F288 HydrophobicContact CD1-CE1 3.92Å; F283-F288 HydrophobicContact CG-CE1 4.35Å; Y285-F288 WeakPolarHBondContact O-CE1 3.43Å; F288-L303 HydrophobicContact CD1-CD1 4.37Å; F288-L303 HydrophobicContact CD1-CD2 3.98Å; F288-L303 HydrophobicContact CD2-CD2 3.77Å; F288-L303 HydrophobicContact CE1-CD1 3.67Å; F288-L303 HydrophobicContact CE1-CD2 4.1Å; F288-L303 HydrophobicContact CE2-CD1 3.99Å; F288-L303 HydrophobicContact CE2-CD2 3.89Å; F288-L303 HydrophobicContact CE2-CG 4.49Å; F288-L303 HydrophobicContact CG-CD2 3.84Å; F288-L303 HydrophobicContact CZ-CD1 3.48Å; F288-L303 VanDerWaalsContact CZ-CD1 3.48Å; F288-L303 HydrophobicContact CZ-CD2 4.08Å; F288-L303 HydrophobicContact CZ-CG 4.4Å; F288-W577 HydrophobicContact CE2-CH2 4.44Å; F288-W577 AromaticContact CE2-CZ3 3.82Å; F288-W577 HydrophobicContact CE2-CZ3 3.82Å; F288-W577 HydrophobicContact CZ-CH2 4.14Å; F288-W577 AromaticContact CZ-CZ3 3.91Å; F288-W577 HydrophobicContact CZ-CZ3 3.91Å; F288-F583 HydrophobicContact CE2-CE2 4.41Å; F288-F583 AromaticContact CE2-CZ 3.96Å; F288-F583 HydrophobicContact CE2-CZ 3.96Å
289F86.9Confident89.9Confident49 Ų4927 Ų2722%0.21513%0.133CC..  trans-84.8135.7179.4-178.9-93.1000110.7H134 E137 S287 L291 R299 R674 K676H134-F289 AromaticContact CE1-CD1 3.45Å; H134-F289 VanDerWaalsContact CE1-CD1 3.45Å; H134-F289 WeakPolarHBondContact CE1-CD1 3.4Å; H134-F289 AromaticContact CE1-CE1 3.91Å; H134-F289 AromaticContact ND1-CD1 3.84Å; H134-F289 AromaticContact NE2-CD1 3.98Å; E137-F289 PolarHBondContact OE1-N 3.38Å; S287-F289 PolarHBondContact O-N 3.11Å; F289-L291 VanDerWaalsContact C-N 3.32Å; F289-L291 PolarHBondContact O-N 3.39Å; F289-L291 VanDerWaalsContact O-N 3.15Å; F289-R299 PolarHBondContact O-NH1 3.3Å; F289-R299 PolarHBondContact O-NH2 3.26Å; F289-R674 HydrophobicContact CD2-CB 3.96Å; F289-R674 HydrophobicContact CE2-CB 4.05Å; F289-R674 WeakPolarHBondContact CE2-O 2.8Å; F289-R674 HydrophobicContact CG-CB 4.41Å; F289-K676 HydrophobicContact CE2-CG 4.17Å; F289-K676 HydrophobicContact CZ-CG 4.05Å
290D85.9Confident89.8Confident56 Ų5626.8 Ų26.830%0.29913%0.132SC..SBendtrans45.348.9173.8-170.854.3000114.4R133 N292 R299R133-D290 IonicContact CZ-OD2 3.87Å; R133-D290 IonicContact NH1-OD2 2.72Å; R133-D290 PolarHBondContact NH1-OD2 3.19Å; R133-D290 VanDerWaalsContact NH1-OD2 3.08Å; R133-D290 PolarHBondContact NH2-O 3.36Å; R133-D290 IonicContact NH2-OD2 3.42Å; R133-D290 PolarHBondContact NH2-OD2 3.34Å; R133-D290 VanDerWaalsContact NH2-OD2 3.1Å; D290-N292 PolarHBondContact O-N 3.24Å; D290-R299 PolarHBondContact O-NH1 2.64Å
291L87.6Confident89.7Confident34 Ų3426.1 Ų26.118%0.17813%0.129CC..  trans-68.9101.2176.6-16965.9000109.7F289 D296 R299 V300 L303 M571 I574F289-L291 VanDerWaalsContact C-N 3.32Å; F289-L291 PolarHBondContact O-N 3.39Å; F289-L291 VanDerWaalsContact O-N 3.15Å; L291-D296 HydrophobicContact CD1-CB 4.36Å; L291-R299 HydrophobicContact CD1-CG 4.23Å; L291-V300 HydrophobicContact CD1-CG2 3.59Å; L291-V300 HydrophobicContact CD2-CG2 4.35Å; L291-V300 HydrophobicContact CG-CG2 3.88Å; L291-L303 HydrophobicContact CD2-CD2 3.99Å; L291-M571 HydrophobicContact CB-CE 4.36Å; L291-M571 HydrophobicContact CD2-CE 3.81Å; L291-M571 HydrophobicContact CD2-SD 3.57Å; L291-M571 VanDerWaalsContact CD2-SD 3.57Å; L291-M571 HydrophobicContact CG-CE 3.93Å; L291-M571 HydrophobicContact CG-SD 3.86Å; L291-I574 HydrophobicContact CD2-CD1 4.36Å; L291-I574 HydrophobicContact CD2-CG2 4.49Å
292N83.4Confident89.6Confident44 Ų4426.2 Ų26.224%0.23513%0.129CC..  trans-114112.6-168.5-170.2-35.2000111.5D290 K294 Y295 D296D290-N292 PolarHBondContact O-N 3.24Å; N292-K294 PolarHBondContact O-N 2.88Å; N292-K294 WeakPolarHBondContact OD1-CB 3.5Å; N292-K294 PolarHBondContact OD1-N 2.78Å; N292-Y295 HydrophobicContact CB-CD2 4.01Å; N292-Y295 WeakPolarHBondContact ND2-CD2 3.16Å; N292-Y295 WeakPolarHBondContact ND2-CE2 3.26Å; N292-Y295 PolarHBondContact O-N 3.28Å; N292-Y295 VanDerWaalsContact O-N 3.08Å; N292-D296 PolarHBondContact N-OD2 3.48Å; N292-D296 VanDerWaalsContact O-CB 3.26Å; N292-D296 WeakPolarHBondContact O-CB 3.43Å; N292-D296 PolarHBondContact O-N 3.32Å
293P80Confident89.6Confident50 Ų5024.7 Ų24.733%0.32512%0.123SC..THydrogen-bonded Turntrans-53.9-27.3-179.3-2936.8000115.2I567 M571P293-I567 HydrophobicContact CB-CG1 3.76Å; P293-I567 HydrophobicContact CB-CG2 4.06Å; P293-M571 HydrophobicContact CG-CE 4.2Å; P293-M571 HydrophobicContact CG-CG 4.11Å; P293-M571 HydrophobicContact CG-SD 4.44Å
294K76.8Confident89.5Confident112 Ų11224.5 Ų24.549%0.48712%0.122SC..THydrogen-bonded Turntrans-72.5-35.5-178.7-171.9172.9-178.6173.60112.5T201 Y202 N292T201-K294 WeakPolarHBondContact CA-O 3.48Å; T201-K294 HydrophobicContact CG2-CG 4.17Å; Y202-K294 PolarHBondContact N-O 3.16Å; N292-K294 PolarHBondContact O-N 2.88Å; N292-K294 WeakPolarHBondContact OD1-CB 3.5Å; N292-K294 PolarHBondContact OD1-N 2.78Å
295Y78.1Confident89.5Confident66 Ų6624.7 Ų24.726%0.25912%0.123SC..THydrogen-bonded Turntrans-111-24.2-170.4-53.6-59000113.6T199 P200 T201 N292T199-Y295 HydrophobicContact CG2-CD1 3.41Å; T199-Y295 VanDerWaalsContact CG2-CD1 3.41Å; T199-Y295 HydrophobicContact CG2-CD2 4.42Å; T199-Y295 HydrophobicContact CG2-CE1 4.11Å; T199-Y295 HydrophobicContact CG2-CG 3.59Å; P200-Y295 WeakPolarHBondContact O-CA 3.45Å; P200-Y295 WeakPolarHBondContact O-CD1 3.47Å; T201-Y295 HydrophobicContact CG2-CD1 3.92Å; T201-Y295 HydrophobicContact CG2-CE1 3.71Å; N292-Y295 HydrophobicContact CB-CD2 4.01Å; N292-Y295 WeakPolarHBondContact ND2-CD2 3.16Å; N292-Y295 WeakPolarHBondContact ND2-CE2 3.26Å; N292-Y295 PolarHBondContact O-N 3.28Å; N292-Y295 VanDerWaalsContact O-N 3.08Å
296D84.7Confident89.4Confident0 Ų025.8 Ų25.80%013%0.128CC..  trans-106.131.1-167.9-72.2-36.3000113.4R133 L291 N292 I298 R299 V300R133-D296 IonicContact CZ-OD1 3.66Å; R133-D296 IonicContact CZ-OD2 2.85Å; R133-D296 IonicContact NE-OD1 2.67Å; R133-D296 PolarHBondContact NE-OD1 2.73Å; R133-D296 IonicContact NE-OD2 3.53Å; R133-D296 VanDerWaalsContact NH2-CG 3.34Å; R133-D296 IonicContact NH2-OD1 3.76Å; R133-D296 PolarHBondContact NH2-OD1 2.92Å; R133-D296 IonicContact NH2-OD2 3.47Å; R133-D296 PolarHBondContact NH2-OD2 2.94Å; L291-D296 HydrophobicContact CD1-CB 4.36Å; N292-D296 PolarHBondContact N-OD2 3.48Å; N292-D296 VanDerWaalsContact O-CB 3.26Å; N292-D296 WeakPolarHBondContact O-CB 3.43Å; N292-D296 PolarHBondContact O-N 3.32Å; D296-I298 VanDerWaalsContact C-N 3.27Å; D296-I298 PolarHBondContact O-N 2.93Å; D296-R299 HydrophobicContact CB-CB 4Å; D296-R299 PolarHBondContact O-N 2.77Å; D296-R299 VanDerWaalsContact O-N 3.15Å; D296-R299 IonicContact OD1-NH1 3.94Å; D296-R299 IonicContact OD2-NH1 2.69Å; D296-R299 PolarHBondContact OD2-NH1 3.18Å; D296-V300 HydrophobicContact CB-CG2 3.88Å; D296-V300 VanDerWaalsContact O-CB 3.25Å; D296-V300 WeakPolarHBondContact O-CB 3.5Å; D296-V300 VanDerWaalsContact O-CG2 3.24Å; D296-V300 WeakPolarHBondContact O-CG2 3.32Å; D296-V300 PolarHBondContact O-N 3.1Å
297A86.1Confident89.5Confident3 Ų324.4 Ų24.43%0.02512%0.122CC..Hα-helixtrans-52.6-44.4-176.600000112.9Y202 A231 N301Y202-A297 HydrophobicContact CD1-CB 3.78Å; Y202-A297 HydrophobicContact CD2-CB 3.54Å; Y202-A297 HydrophobicContact CE1-CB 4.27Å; Y202-A297 HydrophobicContact CE2-CB 4.04Å; Y202-A297 HydrophobicContact CG-CB 3.38Å; A231-A297 HydrophobicContact CB-CB 4.29Å; A297-N301 VanDerWaalsContact O-CB 3.26Å; A297-N301 WeakPolarHBondContact O-CB 3.48Å; A297-N301 PolarHBondContact O-N 3.45Å
298I87.5Confident89.7Confident2 Ų222.9 Ų22.91%0.0111%0.111CC..Hα-helixtrans-70.9-48.4176.9-62.6170.3000111.3F130 N131 I132 Y202 L230 A231 D296 V300 N301 Q302F130-I298 WeakPolarHBondContact O-CD1 3.47Å; N131-I298 HydrophobicContact CB-CD1 4.13Å; I132-I298 HydrophobicContact CD1-CG2 4.44Å; I132-I298 HydrophobicContact CG1-CG2 3.93Å; Y202-I298 WeakPolarHBondContact OH-CD1 3.37Å; L230-I298 HydrophobicContact CB-CD1 4.41Å; L230-I298 HydrophobicContact CB-CG1 4.31Å; L230-I298 HydrophobicContact CB-CG2 3.92Å; A231-I298 HydrophobicContact CB-CG1 3.85Å; D296-I298 VanDerWaalsContact C-N 3.27Å; D296-I298 PolarHBondContact O-N 2.93Å; I298-V300 PolarHBondContact O-N 3.27Å; I298-N301 PolarHBondContact O-N 3.32Å; I298-Q302 HydrophobicContact CG2-CG 4.19Å; I298-Q302 WeakPolarHBondContact O-CG 3.38Å; I298-Q302 PolarHBondContact O-N 3.12Å
299R92.9Very high89.8Confident0 Ų022.1 Ų22.10%011%0.107CC..Hα-helixtrans-59.3-46.1179.3174.5-176.6174.1-140.83.8111.6I132 R133 H134 E137 F283 F289 D290 L291 D296 Q302 L303I132-R299 HydrophobicContact CG2-CB 4.06Å; I132-R299 HydrophobicContact CG2-CG 4.14Å; R133-R299 WeakPolarHBondContact O-CD 3.35Å; H134-R299 PolarHBondContact CD2-NH1 2.95Å; H134-R299 VanDerWaalsContact CD2-NH1 3.28Å; E137-R299 IonicContact OE1-CZ 3.41Å; E137-R299 IonicContact OE1-NH2 2.77Å; E137-R299 PolarHBondContact OE1-NH2 2.89Å; E137-R299 IonicContact OE2-CZ 2.73Å; E137-R299 IonicContact OE2-NE 3.67Å; E137-R299 PolarHBondContact OE2-NE 3.37Å; E137-R299 IonicContact OE2-NH2 3.5Å; E137-R299 PolarHBondContact OE2-NH2 3.24Å; F283-R299 HydrophobicContact CE1-CG 4.21Å; F283-R299 HydrophobicContact CZ-CG 4.16Å; F289-R299 PolarHBondContact O-NH1 3.3Å; F289-R299 PolarHBondContact O-NH2 3.26Å; D290-R299 PolarHBondContact O-NH1 2.64Å; L291-R299 HydrophobicContact CD1-CG 4.23Å; D296-R299 HydrophobicContact CB-CB 4Å; D296-R299 PolarHBondContact O-N 2.77Å; D296-R299 VanDerWaalsContact O-N 3.15Å; D296-R299 IonicContact OD1-NH1 3.94Å; D296-R299 IonicContact OD2-NH1 2.69Å; D296-R299 PolarHBondContact OD2-NH1 3.18Å; R299-Q302 PolarHBondContact O-N 2.91Å; R299-L303 VanDerWaalsContact O-CB 3.26Å; R299-L303 WeakPolarHBondContact O-CB 3.19Å; R299-L303 PolarHBondContact O-N 3.05Å
300V94Very high90.1Very high0 Ų020 Ų200%010%0.099CC..Hα-helixtrans-60.8-44.6174.3172.50000110.5L291 D296 I298 L303 Y304 I567 K570 M571 I574L291-V300 HydrophobicContact CD1-CG2 3.59Å; L291-V300 HydrophobicContact CD2-CG2 4.35Å; L291-V300 HydrophobicContact CG-CG2 3.88Å; D296-V300 HydrophobicContact CB-CG2 3.88Å; D296-V300 VanDerWaalsContact O-CB 3.25Å; D296-V300 WeakPolarHBondContact O-CB 3.5Å; D296-V300 VanDerWaalsContact O-CG2 3.24Å; D296-V300 WeakPolarHBondContact O-CG2 3.32Å; D296-V300 PolarHBondContact O-N 3.1Å; I298-V300 PolarHBondContact O-N 3.27Å; V300-L303 PolarHBondContact O-N 3.41Å; V300-Y304 VanDerWaalsContact O-CB 3.29Å; V300-Y304 WeakPolarHBondContact O-CB 3.47Å; V300-Y304 PolarHBondContact O-N 3.42Å; V300-I567 HydrophobicContact CB-CD1 3.87Å; V300-I567 HydrophobicContact CG1-CD1 3.57Å; V300-I567 HydrophobicContact CG1-CG1 4.47Å; V300-I567 HydrophobicContact CG2-CD1 4.33Å; V300-K570 HydrophobicContact CG1-CB 3.85Å; V300-K570 HydrophobicContact CG1-CD 4.5Å; V300-M571 HydrophobicContact CG1-CG 4.24Å; V300-M571 HydrophobicContact CG1-SD 3.91Å; V300-M571 HydrophobicContact CG2-SD 3.78Å; V300-I574 HydrophobicContact CG1-CD1 3.99Å
301N94.1Very high90.5Very high0 Ų017.4 Ų17.40%09%0.085CC..Hα-helixtrans-62.3-48.7177.9-171.857.6000112.2L230 A231 V232 A297 I298 L303 Y304 E305 K570L230-N301 PolarHBondContact O-ND2 2.85Å; A231-N301 WeakPolarHBondContact O-CB 3.31Å; A231-N301 PolarHBondContact O-OD1 3.39Å; V232-N301 PolarHBondContact O-ND2 3.3Å; A297-N301 VanDerWaalsContact O-CB 3.26Å; A297-N301 WeakPolarHBondContact O-CB 3.48Å; A297-N301 PolarHBondContact O-N 3.45Å; I298-N301 PolarHBondContact O-N 3.32Å; N301-L303 VanDerWaalsContact C-N 3.29Å; N301-L303 PolarHBondContact O-N 3.4Å; N301-Y304 WeakPolarHBondContact O-CB 3.41Å; N301-Y304 PolarHBondContact O-N 3.05Å; N301-E305 WeakPolarHBondContact O-CB 3.34Å; N301-E305 VanDerWaalsContact O-CG 3.24Å; N301-E305 WeakPolarHBondContact O-CG 3.44Å; N301-E305 PolarHBondContact O-N 2.93Å; N301-K570 WeakPolarHBondContact OD1-CE 3.31Å; N301-K570 PolarHBondContact OD1-NZ 2.93Å
302Q95Very high90.7Very high1 Ų115.8 Ų15.81%0.0058%0.076CC..Hα-helixtrans-65-34.8179.2-64.4-58.6-33.200111.9P104 N105 I132 L230 F283 I298 R299 E305 Q306P104-Q302 HydrophobicContact CB-CB 4.28Å; P104-Q302 WeakPolarHBondContact CB-O 3.45Å; P104-Q302 HydrophobicContact CG-CB 4.14Å; N105-Q302 PolarHBondContact ND2-NE2 3.11Å; I132-Q302 HydrophobicContact CD1-CG 4.45Å; L230-Q302 PolarHBondContact O-NE2 3.45Å; F283-Q302 HydrophobicContact CE2-CB 4.01Å; F283-Q302 HydrophobicContact CZ-CB 4.46Å; I298-Q302 HydrophobicContact CG2-CG 4.19Å; I298-Q302 WeakPolarHBondContact O-CG 3.38Å; I298-Q302 PolarHBondContact O-N 3.12Å; R299-Q302 PolarHBondContact O-N 2.91Å; Q302-E305 PolarHBondContact O-N 3.29Å; Q302-Q306 PolarHBondContact O-N 2.65Å
303L97Very high91.1Very high0 Ų014.8 Ų14.80%07%0.071CC..Hα-helixtrans-68.6-44.4175.1-176.656.9000111.9F283 F288 L291 R299 V300 N301 E305 Q306 A307 I574 W577F283-L303 HydrophobicContact CB-CD1 4.37Å; F283-L303 HydrophobicContact CD1-CD1 4.09Å; F283-L303 HydrophobicContact CD2-CB 4.45Å; F283-L303 HydrophobicContact CD2-CD1 3.91Å; F283-L303 HydrophobicContact CE1-CB 4.37Å; F283-L303 HydrophobicContact CE1-CD1 4.35Å; F283-L303 HydrophobicContact CE2-CB 3.89Å; F283-L303 HydrophobicContact CE2-CD1 4.2Å; F283-L303 HydrophobicContact CG-CD1 3.86Å; F283-L303 HydrophobicContact CZ-CB 3.84Å; F283-L303 HydrophobicContact CZ-CD1 4.4Å; F288-L303 HydrophobicContact CD1-CD1 4.37Å; F288-L303 HydrophobicContact CD1-CD2 3.98Å; F288-L303 HydrophobicContact CD2-CD2 3.77Å; F288-L303 HydrophobicContact CE1-CD1 3.67Å; F288-L303 HydrophobicContact CE1-CD2 4.1Å; F288-L303 HydrophobicContact CE2-CD1 3.99Å; F288-L303 HydrophobicContact CE2-CD2 3.89Å; F288-L303 HydrophobicContact CE2-CG 4.49Å; F288-L303 HydrophobicContact CG-CD2 3.84Å; F288-L303 HydrophobicContact CZ-CD1 3.48Å; F288-L303 VanDerWaalsContact CZ-CD1 3.48Å; F288-L303 HydrophobicContact CZ-CD2 4.08Å; F288-L303 HydrophobicContact CZ-CG 4.4Å; L291-L303 HydrophobicContact CD2-CD2 3.99Å; R299-L303 VanDerWaalsContact O-CB 3.26Å; R299-L303 WeakPolarHBondContact O-CB 3.19Å; R299-L303 PolarHBondContact O-N 3.05Å; V300-L303 PolarHBondContact O-N 3.41Å; N301-L303 VanDerWaalsContact C-N 3.29Å; N301-L303 PolarHBondContact O-N 3.4Å; L303-E305 VanDerWaalsContact C-N 3.31Å; L303-E305 PolarHBondContact O-N 3.01Å; L303-Q306 PolarHBondContact O-N 3.32Å; L303-A307 PolarHBondContact O-N 3.04Å; L303-I574 HydrophobicContact CB-CD1 4.12Å; L303-I574 HydrophobicContact CD2-CD1 4.04Å; L303-I574 HydrophobicContact CD2-CG2 3.98Å; L303-I574 HydrophobicContact CG-CD1 3.98Å; L303-I574 HydrophobicContact CG-CG1 4.23Å; L303-I574 HydrophobicContact CG-CG2 4.35Å; L303-W577 HydrophobicContact CD1-CH2 4.3Å; L303-W577 HydrophobicContact CD1-CZ3 3.84Å; L303-W577 HydrophobicContact CG-CZ3 4.47Å
304Y97Very high91.5Very high0 Ų014.2 Ų14.20%06%0.064CC..Hα-helixtrans-57.4-45.1171.8156.8-102.8000111.2V300 N301 A307 K308 Q330 I333 K570 F573V300-Y304 VanDerWaalsContact O-CB 3.29Å; V300-Y304 WeakPolarHBondContact O-CB 3.47Å; V300-Y304 PolarHBondContact O-N 3.42Å; N301-Y304 WeakPolarHBondContact O-CB 3.41Å; N301-Y304 PolarHBondContact O-N 3.05Å; Y304-A307 PolarHBondContact O-N 3.46Å; Y304-K308 HydrophobicContact CE1-CD 4.38Å; Y304-K308 HydrophobicContact CE2-CB 4.43Å; Y304-K308 VanDerWaalsContact O-CB 3.31Å; Y304-K308 WeakPolarHBondContact O-CB 3.33Å; Y304-K308 PolarHBondContact O-N 2.97Å; Y304-Q330 HydrophobicContact CE2-CG 4.5Å; Y304-I333 HydrophobicContact CD2-CD1 4.04Å; Y304-I333 HydrophobicContact CE1-CD1 4.36Å; Y304-I333 HydrophobicContact CE1-CG2 4.07Å; Y304-I333 HydrophobicContact CE2-CD1 3.41Å; Y304-I333 VanDerWaalsContact CE2-CD1 3.41Å; Y304-K570 HydrophobicContact CD1-CD 4.34Å; Y304-K570 HydrophobicContact CD1-CG 4.14Å; Y304-K570 HydrophobicContact CD2-CG 4.4Å; Y304-K570 HydrophobicContact CG-CB 4.31Å; Y304-K570 HydrophobicContact CG-CG 3.99Å; Y304-F573 HydrophobicContact CD2-CB 3.82Å; Y304-F573 AromaticContact CD2-CD1 3.72Å; Y304-F573 HydrophobicContact CD2-CD1 3.72Å; Y304-F573 HydrophobicContact CD2-CD2 4.13Å; Y304-F573 HydrophobicContact CD2-CE1 4.35Å; Y304-F573 AromaticContact CD2-CG 3.61Å; Y304-F573 HydrophobicContact CD2-CG 3.61Å; Y304-F573 HydrophobicContact CE2-CB 4.1Å; Y304-F573 HydrophobicContact CE2-CD1 4.02Å; Y304-F573 AromaticContact CE2-CD2 3.66Å; Y304-F573 HydrophobicContact CE2-CD2 3.66Å; Y304-F573 HydrophobicContact CE2-CE1 4.41Å; Y304-F573 HydrophobicContact CE2-CE2 4.08Å; Y304-F573 AromaticContact CE2-CG 3.65Å; Y304-F573 HydrophobicContact CE2-CG 3.65Å; Y304-F573 HydrophobicContact CE2-CZ 4.44Å
305E95.7Very high92.1Very high5 Ų513 Ų132%0.0236%0.06CC..Hα-helixtrans-62.4-43.4177.9-74.8-72.3148.300111.7N105 S233 N301 Q302 L303 A307 K308 W309N105-E305 HydrophobicContact CB-CB 3.95Å; N105-E305 HydrophobicContact CB-CG 3.69Å; S233-E305 PolarHBondContact OG-OE1 2.99Å; S233-E305 VanDerWaalsContact OG-OE1 3.11Å; N301-E305 WeakPolarHBondContact O-CB 3.34Å; N301-E305 VanDerWaalsContact O-CG 3.24Å; N301-E305 WeakPolarHBondContact O-CG 3.44Å; N301-E305 PolarHBondContact O-N 2.93Å; Q302-E305 PolarHBondContact O-N 3.29Å; L303-E305 VanDerWaalsContact C-N 3.31Å; L303-E305 PolarHBondContact O-N 3.01Å; E305-A307 VanDerWaalsContact C-N 3.34Å; E305-A307 PolarHBondContact O-N 3.32Å; E305-K308 PolarHBondContact O-N 3.35Å; E305-K308 IonicContact OE1-NZ 3.99Å; E305-K308 PolarHBondContact OE1-NZ 3.49Å; E305-K308 WeakPolarHBondContact OE2-CE 3.27Å; E305-K308 IonicContact OE2-NZ 3.1Å; E305-K308 PolarHBondContact OE2-NZ 3.43Å; E305-W309 PolarHBondContact O-N 3.35Å; E305-W309 PolarHBondContact OE2-NE1 3.01Å
306Q96.2Very high92.6Very high25 Ų2511 Ų1112%0.1175%0.053CC..Hα-helixtrans-58.9-46.5173.8-166.8165.9-64.500111.6P104 F283 Q302 L303 W309 A310P104-Q306 HydrophobicContact CB-CB 4.05Å; F283-Q306 PolarHBondContact O-NE2 2.89Å; Q302-Q306 PolarHBondContact O-N 2.65Å; L303-Q306 PolarHBondContact O-N 3.32Å; Q306-W309 PolarHBondContact O-N 2.97Å; Q306-A310 WeakPolarHBondContact O-CB 3.37Å; Q306-A310 PolarHBondContact O-N 3.36Å
307A96.6Very high92.8Very high0 Ų017.2 Ų17.20%08%0.082CC..Hα-helixtrans-63.2-44.8178.300000111.6L303 Y304 E305 W309 A310 I311 F573 W577L303-A307 PolarHBondContact O-N 3.04Å; Y304-A307 PolarHBondContact O-N 3.46Å; E305-A307 VanDerWaalsContact C-N 3.34Å; E305-A307 PolarHBondContact O-N 3.32Å; A307-W309 PolarHBondContact O-N 3.01Å; A307-A310 PolarHBondContact O-N 3.47Å; A307-I311 WeakPolarHBondContact O-CG1 3.26Å; A307-I311 PolarHBondContact O-N 2.89Å; A307-F573 HydrophobicContact CB-CD1 4.12Å; A307-F573 HydrophobicContact CB-CE1 3.84Å; A307-W577 HydrophobicContact CB-CB 4.15Å; A307-W577 HydrophobicContact CB-CD2 3.5Å; A307-W577 VanDerWaalsContact CB-CD2 3.5Å; A307-W577 HydrophobicContact CB-CE3 3.65Å; A307-W577 HydrophobicContact CB-CG 3.72Å; A307-W577 HydrophobicContact CB-CZ3 4.19Å
308K95.8Very high93Very high4 Ų417.8 Ų17.82%0.0179%0.086CC..Hα-helixtrans-55.7-51.9177.2-177-172.872.3-171.40110.8Y304 E305 A310 I311 L312 Q330 F573Y304-K308 HydrophobicContact CE1-CD 4.38Å; Y304-K308 HydrophobicContact CE2-CB 4.43Å; Y304-K308 VanDerWaalsContact O-CB 3.31Å; Y304-K308 WeakPolarHBondContact O-CB 3.33Å; Y304-K308 PolarHBondContact O-N 2.97Å; E305-K308 PolarHBondContact O-N 3.35Å; E305-K308 IonicContact OE1-NZ 3.99Å; E305-K308 PolarHBondContact OE1-NZ 3.49Å; E305-K308 WeakPolarHBondContact OE2-CE 3.27Å; E305-K308 IonicContact OE2-NZ 3.1Å; E305-K308 PolarHBondContact OE2-NZ 3.43Å; K308-A310 PolarHBondContact O-N 2.87Å; K308-I311 PolarHBondContact O-N 3.43Å; K308-L312 HydrophobicContact CD-CD1 4.47Å; K308-L312 HydrophobicContact CG-CD1 3.91Å; K308-L312 HydrophobicContact CG-CG 4.44Å; K308-L312 WeakPolarHBondContact O-CB 3.42Å; K308-L312 VanDerWaalsContact O-CG 3.32Å; K308-L312 WeakPolarHBondContact O-CG 3.36Å; K308-L312 PolarHBondContact O-N 3.45Å; K308-Q330 HydrophobicContact CD-CG 4.19Å; K308-Q330 HydrophobicContact CG-CG 4.13Å; K308-F573 HydrophobicContact CB-CE1 4.44Å; K308-F573 HydrophobicContact CB-CZ 4.26Å
309W94.1Very high93.2Very high13 Ų1321.1 Ų21.15%0.04911%0.106CC..Hα-helixtrans-66.2-37.7179.5-72.6113.3000112.5M106 I236 L242 L245 E305 Q306 A307 I311 L312 L313M106-W309 HydrophobicContact CB-CZ2 4.45Å; M106-W309 HydrophobicContact CE-CB 3.61Å; M106-W309 HydrophobicContact CE-CD2 3.7Å; M106-W309 HydrophobicContact CE-CE3 4.16Å; M106-W309 HydrophobicContact CE-CG 3.43Å; M106-W309 VanDerWaalsContact CE-CG 3.43Å; M106-W309 HydrophobicContact CG-CD2 3.87Å; M106-W309 VanDerWaalsContact CG-CE2 3.46Å; M106-W309 HydrophobicContact CG-CG 4.07Å; M106-W309 HydrophobicContact CG-CZ2 3.89Å; I236-W309 HydrophobicContact CD1-CH2 3.65Å; I236-W309 HydrophobicContact CD1-CZ2 4.3Å; I236-W309 HydrophobicContact CD1-CZ3 3.98Å; I236-W309 HydrophobicContact CG1-CH2 3.9Å; I236-W309 HydrophobicContact CG1-CZ2 4.24Å; L242-W309 HydrophobicContact CD1-CZ3 4.22Å; L245-W309 HydrophobicContact CD1-CZ3 4.28Å; E305-W309 PolarHBondContact O-N 3.35Å; E305-W309 PolarHBondContact OE2-NE1 3.01Å; Q306-W309 PolarHBondContact O-N 2.97Å; A307-W309 PolarHBondContact O-N 3.01Å; W309-I311 VanDerWaalsContact C-N 3.29Å; W309-I311 PolarHBondContact O-N 2.76Å; W309-L312 PolarHBondContact O-N 2.93Å; W309-L313 HydrophobicContact CB-CD1 4.49Å; W309-L313 HydrophobicContact CE3-CD1 4.3Å; W309-L313 HydrophobicContact CE3-CG 4.29Å; W309-L313 VanDerWaalsContact O-CB 3.22Å; W309-L313 WeakPolarHBondContact O-CB 3.47Å; W309-L313 VanDerWaalsContact O-CG 3.28Å; W309-L313 WeakPolarHBondContact O-CG 3.38Å; W309-L313 PolarHBondContact O-N 3.48Å
310A93.4Very high92.9Very high5 Ų522.3 Ų22.34%0.04111%0.112CC..Hα-helixtrans-60.7-38.1175.400000112.4Q306 A307 K308 E314 E315 I316Q306-A310 WeakPolarHBondContact O-CB 3.37Å; Q306-A310 PolarHBondContact O-N 3.36Å; A307-A310 PolarHBondContact O-N 3.47Å; K308-A310 PolarHBondContact O-N 2.87Å; A310-E314 PolarHBondContact O-N 3.48Å; A310-E315 HydrophobicContact CB-CB 4.17Å; A310-E315 PolarHBondContact O-N 3.29Å; A310-I316 HydrophobicContact CB-CD1 4.38Å; A310-I316 PolarHBondContact O-N 3.49Å
311I94.3Very high92.6Very high1 Ų128.1 Ų28.11%0.00514%0.139CC..Hα-helixtrans-73.8-46.5176.7-64.6-62.5000111.8A307 K308 W309 L313 E314 M323 F326 L580A307-I311 WeakPolarHBondContact O-CG1 3.26Å; A307-I311 PolarHBondContact O-N 2.89Å; K308-I311 PolarHBondContact O-N 3.43Å; W309-I311 VanDerWaalsContact C-N 3.29Å; W309-I311 PolarHBondContact O-N 2.76Å; I311-L313 PolarHBondContact O-N 3.02Å; I311-E314 PolarHBondContact O-N 2.81Å; I311-M323 HydrophobicContact CG2-CE 3.54Å; I311-M323 HydrophobicContact CG2-SD 3.98Å; I311-F326 HydrophobicContact CD1-CD2 4.49Å; I311-F326 HydrophobicContact CD1-CE2 4.01Å; I311-F326 HydrophobicContact CD1-CZ 4.3Å; I311-F326 HydrophobicContact CG1-CD2 4.49Å; I311-F326 HydrophobicContact CG1-CE2 4.35Å; I311-F326 HydrophobicContact CG1-CZ 4.48Å; I311-F326 HydrophobicContact CG2-CD2 4.06Å; I311-F326 HydrophobicContact CG2-CG 4.42Å; I311-L580 HydrophobicContact CD1-CD1 3.48Å; I311-L580 VanDerWaalsContact CD1-CD1 3.48Å
312L92.6Very high92.5Very high0 Ų030.8 Ų30.80%015%0.152CC..Hα-helixtrans-66.1-37.5-178.5-70.6177.9000112.6I236 L242 K308 W309 E314 L529 S531I236-L312 HydrophobicContact CD1-CD1 3.64Å; L242-L312 HydrophobicContact CD1-CB 3.86Å; L242-L312 HydrophobicContact CD2-CD2 4.39Å; K308-L312 HydrophobicContact CD-CD1 4.47Å; K308-L312 HydrophobicContact CG-CD1 3.91Å; K308-L312 HydrophobicContact CG-CG 4.44Å; K308-L312 WeakPolarHBondContact O-CB 3.42Å; K308-L312 VanDerWaalsContact O-CG 3.32Å; K308-L312 WeakPolarHBondContact O-CG 3.36Å; K308-L312 PolarHBondContact O-N 3.45Å; W309-L312 PolarHBondContact O-N 2.93Å; L312-E314 VanDerWaalsContact C-N 3.31Å; L312-L529 WeakPolarHBondContact CD2-O 3.26Å; L312-S531 VanDerWaalsContact O-CB 3.26Å; L312-S531 WeakPolarHBondContact O-CB 3.47Å; L312-S531 PolarHBondContact O-OG 2.94Å
313L91.1Very high92.4Very high23 Ų2330.8 Ų30.812%0.1215%0.152CC..THydrogen-bonded Turntrans-860.4178.8-59.6176.7000113.5M106 L242 L245 W309 I311 E315M106-L313 HydrophobicContact CE-CD1 4.18Å; L242-L313 HydrophobicContact CD1-CD2 3.95Å; L245-L313 HydrophobicContact CB-CD2 3.88Å; W309-L313 HydrophobicContact CB-CD1 4.49Å; W309-L313 HydrophobicContact CE3-CD1 4.3Å; W309-L313 HydrophobicContact CE3-CG 4.29Å; W309-L313 VanDerWaalsContact O-CB 3.22Å; W309-L313 WeakPolarHBondContact O-CB 3.47Å; W309-L313 VanDerWaalsContact O-CG 3.28Å; W309-L313 WeakPolarHBondContact O-CG 3.38Å; W309-L313 PolarHBondContact O-N 3.48Å; I311-L313 PolarHBondContact O-N 3.02Å; L313-E315 HydrophobicContact CB-CG 4.27Å; L313-E315 PolarHBondContact O-N 3.23Å
314E88.8Confident92.1Very high38 Ų3831.1 Ų31.118%0.17815%0.153CC..THydrogen-bonded Turntrans56.235.3-177.3-56.6-175.2148.900113.3Y246 K254 A310 I311 L312 I316 S531 R533Y246-E314 HydrophobicContact CE2-CB 4.16Å; Y246-E314 HydrophobicContact CE2-CG 3.84Å; Y246-E314 VanDerWaalsContact CE2-OE2 3.28Å; Y246-E314 WeakPolarHBondContact CE2-OE2 3.4Å; Y246-E314 PolarHBondContact OH-OE2 3.02Å; K254-E314 WeakPolarHBondContact CE-O 3.2Å; K254-E314 PolarHBondContact NZ-O 2.86Å; A310-E314 PolarHBondContact O-N 3.48Å; I311-E314 PolarHBondContact O-N 2.81Å; L312-E314 VanDerWaalsContact C-N 3.31Å; E314-I316 VanDerWaalsContact C-N 3.26Å; E314-S531 VanDerWaalsContact CG-OG 3.22Å; E314-S531 WeakPolarHBondContact CG-OG 3.32Å; E314-S531 PolarHBondContact OE1-OG 3.43Å; E314-R533 WeakPolarHBondContact OE1-CB 3.36Å; E314-R533 VanDerWaalsContact OE1-CD 3.29Å; E314-R533 WeakPolarHBondContact OE1-CD 3.43Å; E314-R533 IonicContact OE1-CZ 3.76Å; E314-R533 IonicContact OE1-NE 2.71Å; E314-R533 PolarHBondContact OE1-NE 3.46Å; E314-R533 IonicContact OE1-NH2 2.78Å; E314-R533 IonicContact OE2-NE 2.77Å
315E88.8Confident91.7Very high88 Ų8834.3 Ų34.341%0.41117%0.169SC..SBendtrans-67.2-34.6167-63.5-176177.200110.4K254 A310 L313K254-E315 WeakPolarHBondContact CE-O 3.36Å; K254-E315 PolarHBondContact NZ-O 3Å; A310-E315 HydrophobicContact CB-CB 4.17Å; A310-E315 PolarHBondContact O-N 3.29Å; L313-E315 HydrophobicContact CB-CG 4.27Å; L313-E315 PolarHBondContact O-N 3.23Å
316I89.9Confident91.7Very high22 Ų2234.1 Ų34.111%0.11317%0.168CC..SBendtrans-123.5132.8172.2-67.3166.7000108.7A310 E314 W577 L580 E582A310-I316 HydrophobicContact CB-CD1 4.38Å; A310-I316 PolarHBondContact O-N 3.49Å; E314-I316 VanDerWaalsContact C-N 3.26Å; I316-W577 HydrophobicContact CD1-CZ2 4.18Å; I316-L580 HydrophobicContact CG2-CB 4.27Å; I316-L580 HydrophobicContact CG2-CD1 3.69Å; I316-E582 HydrophobicContact CG2-CB 4.5Å
317E88.1Confident91.5Very high131 Ų13132.9 Ų32.961%0.61216%0.163SC*.  trans-79.8145179.6-61.1-169176.700112.2
318C90.4Very high91.2Very high16 Ų1632.9 Ų32.911%0.10816%0.163CC..  trans-141.1159.4170.6670000110.4E322 F326 Y534 L580C318-E322 HydrophobicContact CB-CB 4.03Å; C318-F326 HydrophobicContact CB-CE2 4.16Å; C318-Y534 PolarHBondContact O-OH 3.43Å; C318-L580 HydrophobicContact CB-CD1 4.22Å; C318-L580 HydrophobicContact CB-CD2 3.83Å
319T91Very high91Very high71 Ų7132.8 Ų32.844%0.43616%0.162SC..  trans-69.1167.717462.70000111.7E321 E322 M323 Y534T319-E321 VanDerWaalsContact C-N 3.33Å; T319-E321 PolarHBondContact O-N 2.85Å; T319-E322 WeakPolarHBondContact CB-OE2 3.38Å; T319-E322 WeakPolarHBondContact CG2-OE2 3.4Å; T319-E322 PolarHBondContact N-OE2 3.13Å; T319-E322 PolarHBondContact O-N 2.73Å; T319-E322 WeakPolarHBondContact OG1-CB 3.32Å; T319-E322 WeakPolarHBondContact OG1-CG 3.39Å; T319-E322 PolarHBondContact OG1-N 3.34Å; T319-E322 PolarHBondContact OG1-OE2 3.28Å; T319-M323 WeakPolarHBondContact O-CB 3.5Å; T319-M323 PolarHBondContact O-N 2.66Å; T319-Y534 PolarHBondContact O-OH 3.01Å
320E87.6Confident90.9Very high26 Ų2632.3 Ų32.312%0.12116%0.16CC..Hα-helixtrans-66.2-39.1179.9-172.8167.3168.500111.6M323 M324 Y534 K537 Y538 R553E320-M323 PolarHBondContact O-N 2.57Å; E320-M324 HydrophobicContact CG-CE 4.11Å; E320-M324 WeakPolarHBondContact O-CG 3.38Å; E320-M324 PolarHBondContact O-N 3.02Å; E320-Y534 HydrophobicContact CB-CE1 3.95Å; E320-Y534 HydrophobicContact CG-CD1 4.18Å; E320-Y534 HydrophobicContact CG-CE1 3.96Å; E320-K537 IonicContact OE2-NZ 2.68Å; E320-K537 PolarHBondContact OE2-NZ 2.89Å; E320-Y538 PolarHBondContact OE1-OH 2.82Å; E320-R553 IonicContact OE1-CZ 3.44Å; E320-R553 IonicContact OE1-NH1 3.35Å; E320-R553 PolarHBondContact OE1-NH1 3.29Å
321E87.9Confident90.8Very high122 Ų12233.5 Ų33.557%0.5716%0.164SC*.Hα-helixtrans-65.9-44.5177.9-68.562.7-143.700111.2T319 M324 M325 R553T319-E321 VanDerWaalsContact C-N 3.33Å; T319-E321 PolarHBondContact O-N 2.85Å; E321-M324 PolarHBondContact O-N 2.88Å; E321-M325 PolarHBondContact O-N 3.08Å; E321-M325 VanDerWaalsContact O-N 3.11Å; E321-R553 IonicContact OE1-NH2 3.99Å
322E91.4Very high90.5Very high55 Ų5533.8 Ų33.826%0.25717%0.165SC..Hα-helixtrans-62.4-41.6173.8-73.5161.5156.300111.4C318 T319 M324 M325 F326C318-E322 HydrophobicContact CB-CB 4.03Å; T319-E322 WeakPolarHBondContact CB-OE2 3.38Å; T319-E322 WeakPolarHBondContact CG2-OE2 3.4Å; T319-E322 PolarHBondContact N-OE2 3.13Å; T319-E322 PolarHBondContact O-N 2.73Å; T319-E322 WeakPolarHBondContact OG1-CB 3.32Å; T319-E322 WeakPolarHBondContact OG1-CG 3.39Å; T319-E322 PolarHBondContact OG1-N 3.34Å; T319-E322 PolarHBondContact OG1-OE2 3.28Å; E322-M324 PolarHBondContact O-N 3.43Å; E322-M325 PolarHBondContact O-N 3.3Å; E322-M325 VanDerWaalsContact O-N 3.17Å; E322-F326 HydrophobicContact CB-CD2 4.39Å; E322-F326 HydrophobicContact CB-CE2 4.15Å; E322-F326 WeakPolarHBondContact O-CD2 3.49Å; E322-F326 WeakPolarHBondContact O-CG 3.45Å; E322-F326 PolarHBondContact O-N 2.58Å
323M92.4Very high90.4Very high1 Ų133.8 Ų33.81%0.00517%0.165CC..Hα-helixtrans-60.6-42.1176-179.959.977.800112.2I311 T319 E320 M325 F326 A327 V530 Y534I311-M323 HydrophobicContact CG2-CE 3.54Å; I311-M323 HydrophobicContact CG2-SD 3.98Å; T319-M323 WeakPolarHBondContact O-CB 3.5Å; T319-M323 PolarHBondContact O-N 2.66Å; E320-M323 PolarHBondContact O-N 2.57Å; M323-M325 VanDerWaalsContact C-N 3.29Å; M323-M325 PolarHBondContact O-N 3.19Å; M323-F326 PolarHBondContact O-N 3.36Å; M323-A327 WeakPolarHBondContact O-CB 3.37Å; M323-A327 PolarHBondContact O-N 3.45Å; M323-V530 HydrophobicContact CG-CB 4.21Å; M323-V530 HydrophobicContact CG-CG1 4.14Å; M323-V530 HydrophobicContact SD-CB 4.24Å; M323-V530 HydrophobicContact SD-CG1 4.44Å; M323-Y534 HydrophobicContact CB-CE1 4.46Å; M323-Y534 HydrophobicContact CB-CE2 4.01Å; M323-Y534 HydrophobicContact CE-CD2 3.96Å; M323-Y534 HydrophobicContact CE-CE2 3.49Å; M323-Y534 VanDerWaalsContact CE-CE2 3.49Å; M323-Y534 HydrophobicContact CG-CD2 3.86Å; M323-Y534 HydrophobicContact CG-CE2 3.72Å; M323-Y534 HydrophobicContact CG-CG 4.38Å; M323-Y534 HydrophobicContact SD-CE2 4.43Å
324M90.3Very high90.3Very high7 Ų733.7 Ų33.73%0.03417%0.165CC..Hα-helixtrans-63.4-38.1175.9-61.8-53.9136.100111.5E320 E321 E322 A327 A328 I550 R553 I554E320-M324 HydrophobicContact CG-CE 4.11Å; E320-M324 WeakPolarHBondContact O-CG 3.38Å; E320-M324 PolarHBondContact O-N 3.02Å; E321-M324 PolarHBondContact O-N 2.88Å; E322-M324 PolarHBondContact O-N 3.43Å; M324-A327 PolarHBondContact O-N 2.8Å; M324-A328 WeakPolarHBondContact O-CB 3.24Å; M324-A328 PolarHBondContact O-N 3.06Å; M324-I550 HydrophobicContact SD-CG2 4.27Å; M324-R553 HydrophobicContact CG-CB 4.25Å; M324-R553 HydrophobicContact SD-CB 4.09Å; M324-I554 HydrophobicContact SD-CG1 4.32Å
325M89.4Confident90.1Very high67 Ų6736.5 Ų36.533%0.3318%0.177SC..Hα-helixtrans-67-43.6175.7-170.7-90.1-75.500112E321 E322 M323 A327 A328 L329 A576E321-M325 PolarHBondContact O-N 3.08Å; E321-M325 VanDerWaalsContact O-N 3.11Å; E322-M325 PolarHBondContact O-N 3.3Å; E322-M325 VanDerWaalsContact O-N 3.17Å; M323-M325 VanDerWaalsContact C-N 3.29Å; M323-M325 PolarHBondContact O-N 3.19Å; M325-A327 VanDerWaalsContact C-N 3.33Å; M325-A327 PolarHBondContact O-N 2.75Å; M325-A328 PolarHBondContact O-N 2.72Å; M325-L329 PolarHBondContact O-N 3.43Å; M325-L329 HydrophobicContact SD-CD1 3.38Å; M325-L329 WeakPolarHBondContact SD-CD1 3.43Å; M325-L329 HydrophobicContact SD-CG 4.04Å; M325-A576 HydrophobicContact CE-CB 3.41Å; M325-A576 VanDerWaalsContact CE-CB 3.41Å; M325-A576 HydrophobicContact SD-CB 4.35Å
326F94.9Very high89.8Confident1 Ų134.2 Ų34.20%0.00417%0.167CC..Hα-helixtrans-60.4-41.4172.9-73.9-56000112.1I311 C318 E322 M323 L329 Q330 F573 A576 W577 L580I311-F326 HydrophobicContact CD1-CD2 4.49Å; I311-F326 HydrophobicContact CD1-CE2 4.01Å; I311-F326 HydrophobicContact CD1-CZ 4.3Å; I311-F326 HydrophobicContact CG1-CD2 4.49Å; I311-F326 HydrophobicContact CG1-CE2 4.35Å; I311-F326 HydrophobicContact CG1-CZ 4.48Å; I311-F326 HydrophobicContact CG2-CD2 4.06Å; I311-F326 HydrophobicContact CG2-CG 4.42Å; C318-F326 HydrophobicContact CB-CE2 4.16Å; E322-F326 HydrophobicContact CB-CD2 4.39Å; E322-F326 HydrophobicContact CB-CE2 4.15Å; E322-F326 WeakPolarHBondContact O-CD2 3.49Å; E322-F326 WeakPolarHBondContact O-CG 3.45Å; E322-F326 PolarHBondContact O-N 2.58Å; M323-F326 PolarHBondContact O-N 3.36Å; F326-L329 PolarHBondContact O-N 2.99Å; F326-Q330 WeakPolarHBondContact O-CB 3.15Å; F326-Q330 VanDerWaalsContact O-CG 3.31Å; F326-Q330 WeakPolarHBondContact O-CG 3.39Å; F326-Q330 PolarHBondContact O-N 2.86Å; F326-Q330 PolarHBondContact O-NE2 3.18Å; F326-F573 HydrophobicContact CB-CE2 3.73Å; F326-F573 HydrophobicContact CB-CZ 4.1Å; F326-F573 HydrophobicContact CD1-CD1 4.14Å; F326-F573 AromaticContact CD1-CD2 3.73Å; F326-F573 HydrophobicContact CD1-CD2 3.73Å; F326-F573 AromaticContact CD1-CE1 3.82Å; F326-F573 HydrophobicContact CD1-CE1 3.82Å; F326-F573 AromaticContact CD1-CE2 3.38Å; F326-F573 HydrophobicContact CD1-CE2 3.38Å; F326-F573 HydrophobicContact CD1-CG 4.09Å; F326-F573 AromaticContact CD1-CZ 3.42Å; F326-F573 HydrophobicContact CD1-CZ 3.42Å; F326-F573 VanDerWaalsContact CD1-CZ 3.42Å; F326-F573 HydrophobicContact CE1-CD1 4.22Å; F326-F573 HydrophobicContact CE1-CE1 4.03Å; F326-F573 HydrophobicContact CE1-CE2 4.35Å; F326-F573 HydrophobicContact CE1-CG 4.45Å; F326-F573 HydrophobicContact CE1-CZ 4.09Å; F326-F573 AromaticContact CG-CE2 3.96Å; F326-F573 HydrophobicContact CG-CE2 3.96Å; F326-F573 HydrophobicContact CG-CZ 4.02Å; F326-F573 WeakPolarHBondContact O-CE2 3.39Å; F326-A576 HydrophobicContact CD1-CB 4.45Å; F326-A576 HydrophobicContact CE1-CB 3.6Å; F326-A576 HydrophobicContact CZ-CB 3.94Å; F326-W577 HydrophobicContact CE1-CB 4.29Å; F326-W577 HydrophobicContact CZ-CB 4.39Å; F326-L580 HydrophobicContact CE2-CD1 4.18Å; F326-L580 HydrophobicContact CE2-CD2 4.42Å; F326-L580 HydrophobicContact CZ-CD1 4.1Å; F326-L580 HydrophobicContact CZ-CG 4.49Å
327A92.7Very high89.3Confident0 Ų033.4 Ų33.40%016%0.163CC..Hα-helixtrans-65.8-39.2176.900000112.1M323 M324 M325 Q330 Y331 L529 V530 I554M323-A327 WeakPolarHBondContact O-CB 3.37Å; M323-A327 PolarHBondContact O-N 3.45Å; M324-A327 PolarHBondContact O-N 2.8Å; M325-A327 VanDerWaalsContact C-N 3.33Å; M325-A327 PolarHBondContact O-N 2.75Å; A327-Q330 PolarHBondContact O-N 2.68Å; A327-Y331 WeakPolarHBondContact O-CB 3.34Å; A327-Y331 PolarHBondContact O-N 2.88Å; A327-L529 HydrophobicContact CB-CB 3.97Å; A327-V530 HydrophobicContact CB-CG1 3.85Å; A327-I554 HydrophobicContact CB-CD1 3.81Å; A327-I554 HydrophobicContact CB-CG1 3.83Å
328A89.8Confident88.4Confident0 Ų029 Ų290%015%0.153CC..Hα-helixtrans-65.2-42.6175.300000112.6M324 M325 Y331 H332 I554 A557 H558 V561M324-A328 WeakPolarHBondContact O-CB 3.24Å; M324-A328 PolarHBondContact O-N 3.06Å; M325-A328 PolarHBondContact O-N 2.72Å; A328-Y331 PolarHBondContact O-N 2.96Å; A328-H332 WeakPolarHBondContact O-CB 3.38Å; A328-H332 PolarHBondContact O-N 2.85Å; A328-I554 HydrophobicContact CB-CG2 4.37Å; A328-A557 HydrophobicContact CB-CB 3.71Å; A328-H558 HydrophobicContact CB-CB 4.31Å; A328-V561 HydrophobicContact CB-CG2 4.49Å
329L91.9Very high87Confident2 Ų233.6 Ų33.61%0.0117%0.174CC..Hα-helixtrans-63.4-45.5173.4-76.6173.8000111.7M325 F326 Y331 H332 I333 V561 M564 A569 R572 F573M325-L329 PolarHBondContact O-N 3.43Å; M325-L329 HydrophobicContact SD-CD1 3.38Å; M325-L329 WeakPolarHBondContact SD-CD1 3.43Å; M325-L329 HydrophobicContact SD-CG 4.04Å; F326-L329 PolarHBondContact O-N 2.99Å; L329-Y331 PolarHBondContact O-N 3.45Å; L329-H332 PolarHBondContact O-N 3.04Å; L329-I333 WeakPolarHBondContact O-CB 3.47Å; L329-I333 WeakPolarHBondContact O-CD1 3.48Å; L329-I333 WeakPolarHBondContact O-CG1 3.2Å; L329-I333 PolarHBondContact O-N 3.49Å; L329-V561 HydrophobicContact CD2-CB 3.97Å; L329-V561 HydrophobicContact CD2-CG1 3.65Å; L329-V561 HydrophobicContact CD2-CG2 4.38Å; L329-V561 HydrophobicContact CG-CG1 4.25Å; L329-M564 HydrophobicContact CD2-SD 4.34Å; L329-A569 HydrophobicContact CD2-CB 4.34Å; L329-R572 HydrophobicContact CD1-CB 4.42Å; L329-R572 HydrophobicContact CD2-CB 4.31Å; L329-F573 HydrophobicContact CB-CD2 3.85Å; L329-F573 HydrophobicContact CD1-CB 3.98Å; L329-F573 HydrophobicContact CD1-CD2 4.16Å; L329-F573 HydrophobicContact CD1-CG 4.47Å
330Q92.8Very high85.1Confident2 Ų231 Ų311%0.00916%0.16CC..Hα-helixtrans-58.7-46.2175.4-78.1173.577.800111.8Y304 K308 F326 A327 H332 I333 N334 L529 F573Y304-Q330 HydrophobicContact CE2-CG 4.5Å; K308-Q330 HydrophobicContact CD-CG 4.19Å; K308-Q330 HydrophobicContact CG-CG 4.13Å; F326-Q330 WeakPolarHBondContact O-CB 3.15Å; F326-Q330 VanDerWaalsContact O-CG 3.31Å; F326-Q330 WeakPolarHBondContact O-CG 3.39Å; F326-Q330 PolarHBondContact O-N 2.86Å; F326-Q330 PolarHBondContact O-NE2 3.18Å; A327-Q330 PolarHBondContact O-N 2.68Å; Q330-H332 VanDerWaalsContact C-N 3.35Å; Q330-H332 PolarHBondContact O-N 3.31Å; Q330-I333 PolarHBondContact O-N 2.95Å; Q330-N334 WeakPolarHBondContact O-CB 3.08Å; Q330-N334 PolarHBondContact O-N 2.81Å; Q330-N334 PolarHBondContact O-ND2 2.79Å; Q330-L529 HydrophobicContact CB-CD2 3.85Å; Q330-L529 PolarHBondContact NE2-O 3.37Å; Q330-F573 HydrophobicContact CG-CD2 4.36Å; Q330-F573 HydrophobicContact CG-CE2 3.69Å; Q330-F573 HydrophobicContact CG-CZ 4.46Å
331Y90.9Very high83.1Confident31 Ų3133.8 Ų33.812%0.12218%0.182CC..Hα-helixtrans-58.7-47176.7172.6-112.5000111.5A327 A328 L329 N334 K335 T522 I524 H558A327-Y331 WeakPolarHBondContact O-CB 3.34Å; A327-Y331 PolarHBondContact O-N 2.88Å; A328-Y331 PolarHBondContact O-N 2.96Å; L329-Y331 PolarHBondContact O-N 3.45Å; Y331-N334 PolarHBondContact O-N 3.4Å; Y331-K335 WeakPolarHBondContact O-CB 3.36Å; Y331-K335 PolarHBondContact O-N 3.36Å; Y331-T522 VanDerWaalsContact OH-CG2 3.27Å; Y331-T522 WeakPolarHBondContact OH-CG2 3.28Å; Y331-I524 HydrophobicContact CD1-CD1 4.47Å; Y331-I524 HydrophobicContact CD2-CG1 4.09Å; Y331-I524 HydrophobicContact CE1-CD1 4.06Å; Y331-I524 HydrophobicContact CE1-CG1 4.39Å; Y331-I524 HydrophobicContact CE2-CD1 4.15Å; Y331-I524 HydrophobicContact CE2-CG1 3.59Å; Y331-H558 AromaticContact CD1-CD2 3.72Å
332H88.7Confident80.7Confident6 Ų634.3 Ų34.33%0.02819%0.188CC..Hα-helixtrans-61.4-45.9177.8-169.558.4000112.4A328 L329 Q330 N334 K335 L336 H558 V561 A562 M564A328-H332 WeakPolarHBondContact O-CB 3.38Å; A328-H332 PolarHBondContact O-N 2.85Å; L329-H332 PolarHBondContact O-N 3.04Å; Q330-H332 VanDerWaalsContact C-N 3.35Å; Q330-H332 PolarHBondContact O-N 3.31Å; H332-N334 VanDerWaalsContact C-N 3.35Å; H332-N334 PolarHBondContact O-N 3.39Å; H332-K335 PolarHBondContact O-N 3.47Å; H332-L336 WeakPolarHBondContact NE2-CD1 3.19Å; H332-L336 WeakPolarHBondContact O-CG 3.22Å; H332-L336 PolarHBondContact O-N 3.31Å; H332-H558 AromaticContact CG-NE2 3.69Å; H332-H558 AromaticContact ND1-NE2 3.11Å; H332-H558 PolarHBondContact ND1-NE2 2.9Å; H332-H558 VanDerWaalsContact ND1-NE2 3.11Å; H332-V561 HydrophobicContact CB-CG2 4.3Å; H332-V561 PolarHBondContact NE2-O 2.9Å; H332-A562 PolarHBondContact CE1-O 3.38Å; H332-M564 PolarHBondContact NE2-O 2.85Å
333I89.9Confident78.1Confident0 Ų037.7 Ų37.70%021%0.208CC..Hα-helixtrans-59.7-45.4177.4-71.5163.1000110.8Y304 L329 Q330 L336 S337 L566 A569 K570Y304-I333 HydrophobicContact CD2-CD1 4.04Å; Y304-I333 HydrophobicContact CE1-CD1 4.36Å; Y304-I333 HydrophobicContact CE1-CG2 4.07Å; Y304-I333 HydrophobicContact CE2-CD1 3.41Å; Y304-I333 VanDerWaalsContact CE2-CD1 3.41Å; L329-I333 WeakPolarHBondContact O-CB 3.47Å; L329-I333 WeakPolarHBondContact O-CD1 3.48Å; L329-I333 WeakPolarHBondContact O-CG1 3.2Å; L329-I333 PolarHBondContact O-N 3.49Å; Q330-I333 PolarHBondContact O-N 2.95Å; I333-L336 PolarHBondContact O-N 3.15Å; I333-S337 VanDerWaalsContact O-CB 3.28Å; I333-S337 WeakPolarHBondContact O-CB 3.45Å; I333-S337 PolarHBondContact O-N 3.47Å; I333-S337 PolarHBondContact O-OG 3.27Å; I333-L566 HydrophobicContact CB-CD1 4.28Å; I333-L566 HydrophobicContact CG1-CD1 4.49Å; I333-L566 HydrophobicContact CG2-CD1 3.82Å; I333-L566 WeakPolarHBondContact O-CD1 3.47Å; I333-A569 HydrophobicContact CD1-CB 4.17Å; I333-A569 HydrophobicContact CG1-CB 3.64Å; I333-K570 HydrophobicContact CD1-CG 3.84Å; I333-K570 HydrophobicContact CG1-CG 4.18Å; I333-K570 HydrophobicContact CG2-CG 4.35Å
334N88.3Confident75.6Confident22 Ų2244.8 Ų44.812%0.11824%0.241CC..Hα-helixtrans-67.8-38.7179.8-70.1-16.3000111.7S233 S235 Q330 Y331 H332 S337 G338S233-N334 PolarHBondContact OG-OD1 3.31Å; S235-N334 WeakPolarHBondContact OG-CB 3.28Å; S235-N334 PolarHBondContact OG-ND2 3.36Å; Q330-N334 WeakPolarHBondContact O-CB 3.08Å; Q330-N334 PolarHBondContact O-N 2.81Å; Q330-N334 PolarHBondContact O-ND2 2.79Å; Y331-N334 PolarHBondContact O-N 3.4Å; H332-N334 VanDerWaalsContact C-N 3.35Å; H332-N334 PolarHBondContact O-N 3.39Å; N334-S337 PolarHBondContact O-N 3.37Å; N334-G338 PolarHBondContact O-N 3.34Å
335K85.3Confident72.6Confident96 Ų9652.6 Ų52.642%0.41728%0.279SS..Hα-helixtrans-60.2-49.7175.2-175.8-177.2178.3-175.40111.2Y331 H332 G338 M339Y331-K335 WeakPolarHBondContact O-CB 3.36Å; Y331-K335 PolarHBondContact O-N 3.36Å; H332-K335 PolarHBondContact O-N 3.47Å; K335-G338 PolarHBondContact O-N 3.13Å; K335-M339 HydrophobicContact CG-SD 4.01Å; K335-M339 VanDerWaalsContact O-CG 3.32Å; K335-M339 WeakPolarHBondContact O-CG 3.37Å; K335-M339 PolarHBondContact O-N 2.84Å
336L82.5Confident69.7Low41 Ų4156.3 Ų56.322%0.21530%0.301CS..Hα-helixtrans-65-40.1178.3-69.5179.9000112.2H332 I333 G338 M339 S340 L566H332-L336 WeakPolarHBondContact NE2-CD1 3.19Å; H332-L336 WeakPolarHBondContact O-CG 3.22Å; H332-L336 PolarHBondContact O-N 3.31Å; I333-L336 PolarHBondContact O-N 3.15Å; L336-G338 VanDerWaalsContact C-N 3.32Å; L336-G338 PolarHBondContact O-N 3.01Å; L336-M339 PolarHBondContact O-N 3.19Å; L336-S340 PolarHBondContact O-N 3.42Å; L336-S340 PolarHBondContact O-OG 3.06Å; L336-S340 VanDerWaalsContact O-OG 3.1Å; L336-L566 HydrophobicContact CB-CB 4.38Å; L336-L566 HydrophobicContact CB-CD1 4.07Å; L336-L566 HydrophobicContact CD1-CB 4.13Å
337S80.1Confident66.6Low5 Ų562.6 Ų62.64%0.03534%0.335CS..Hα-helixtrans-66.6-31.4178.4-58.70000112.9I333 N334 S340 S341 L566I333-S337 VanDerWaalsContact O-CB 3.28Å; I333-S337 WeakPolarHBondContact O-CB 3.45Å; I333-S337 PolarHBondContact O-N 3.47Å; I333-S337 PolarHBondContact O-OG 3.27Å; N334-S337 PolarHBondContact O-N 3.37Å; S337-S340 VanDerWaalsContact C-OG 3.28Å; S337-S340 WeakPolarHBondContact CA-OG 3.38Å; S337-S340 PolarHBondContact O-OG 3.11Å; S337-S341 PolarHBondContact O-OG 2.97Å; S337-L566 WeakPolarHBondContact OG-CD1 3.4Å
338G68.1Low63.6Low39 Ų3968.2 Ų68.240%0.40237%0.374SS..Hα-helixtrans-70.1-45.7173.600000112.4N334 K335 L336 S340 S341N334-G338 PolarHBondContact O-N 3.34Å; K335-G338 PolarHBondContact O-N 3.13Å; L336-G338 VanDerWaalsContact C-N 3.32Å; L336-G338 PolarHBondContact O-N 3.01Å; G338-S340 VanDerWaalsContact C-N 3.29Å; G338-S340 PolarHBondContact O-N 2.91Å; G338-S341 WeakPolarHBondContact O-CB 3.38Å; G338-S341 PolarHBondContact O-N 3.47Å; G338-S341 VanDerWaalsContact O-N 3.14Å; G338-S341 PolarHBondContact O-OG 3.04Å
339M60.2Low60.9Low111 Ų11176.4 Ų76.455%0.54741%0.412SS..Hα-helixtrans-64.2-30.4-178.8-67.6164.669.100113.3K335 L336 S341K335-M339 HydrophobicContact CG-SD 4.01Å; K335-M339 VanDerWaalsContact O-CG 3.32Å; K335-M339 WeakPolarHBondContact O-CG 3.37Å; K335-M339 PolarHBondContact O-N 2.84Å; L336-M339 PolarHBondContact O-N 3.19Å; M339-S341 VanDerWaalsContact C-N 3.25Å; M339-S341 PolarHBondContact O-N 3.03Å
340S51.7Low58.1Low18 Ų1883.4 Ų83.413%0.12644%0.442CS..Hα-helixtrans-69.9-17.1176.141.60000114.5L336 S337 G338L336-S340 PolarHBondContact O-N 3.42Å; L336-S340 PolarHBondContact O-OG 3.06Å; L336-S340 VanDerWaalsContact O-OG 3.1Å; S337-S340 VanDerWaalsContact C-OG 3.28Å; S337-S340 WeakPolarHBondContact CA-OG 3.38Å; S337-S340 PolarHBondContact O-OG 3.11Å; G338-S340 VanDerWaalsContact C-N 3.29Å; G338-S340 PolarHBondContact O-N 2.91Å
341S46.4Very low55.4Low84 Ų8492 Ų9259%0.58748%0.482SS*.Hα-helixtrans-77.1-27-178.9-53.30000112.9S337 G338 M339S337-S341 PolarHBondContact O-OG 2.97Å; G338-S341 WeakPolarHBondContact O-CB 3.38Å; G338-S341 PolarHBondContact O-N 3.47Å; G338-S341 VanDerWaalsContact O-N 3.14Å; G338-S341 PolarHBondContact O-OG 3.04Å; M339-S341 VanDerWaalsContact C-N 3.25Å; M339-S341 PolarHBondContact O-N 3.03Å
342D36Very low52.8Low132 Ų13295.9 Ų95.971%0.70651%0.509SS*.Hα-helixtrans-86.9-20-175.6-71.3-25.4000113.7H344D342-H344 VanDerWaalsContact C-N 3.33Å; D342-H344 PolarHBondContact O-N 3.15Å
343N37.9Very low50.6Low127 Ų127100.7 Ų100.768%0.67954%0.535SS*.G310 helixtrans-78.4-12.5-176.3-82.5-12.8000114.4M345N343-M345 VanDerWaalsContact C-N 3.31Å; N343-M345 PolarHBondContact O-N 3.35Å
344H38.8Very low48.8Very low150 Ų150106.6 Ų106.669%0.69456%0.563SS**G310 helixtrans-79.1-4.7-176.6-101.2-69.3000115.2D342D342-H344 VanDerWaalsContact C-N 3.33Å; D342-H344 PolarHBondContact O-N 3.15Å
345M28.1Very low46.7Very low170 Ų170109.8 Ų109.884%0.83758%0.583SS**G310 helixtrans-103.9-6.9178.7-76.7-57.5157.500115.9N343N343-M345 VanDerWaalsContact C-N 3.31Å; N343-M345 PolarHBondContact O-N 3.35Å
346N28.4Very low44.7Very low145 Ų145110 Ų11078%0.77559%0.589SS**SBendtrans-121.510.1-169.6-90.9-6.8000116.4
347N30.5Very low43.2Very low134 Ų134110.8 Ų110.872%0.71760%0.601SS**  trans-126.768.7-179.5-119.814.3000112.1
348S28.8Very low41.5Very low118 Ų118113 Ų11383%0.82562%0.619SS**  trans-95.212.4169.160.10000113.7
349E32.9Very low40.2Very low172 Ų172115.8 Ų115.880%0.80463%0.625SS**  trans-146.586.8177.9-72.5-172.7166.600110.9
350K33.8Very low39.4Very low149 Ų149113.5 Ų113.565%0.64862%0.619SS**  trans-167.965.2156.4-108.6173.8-172-163.60111.2V352K350-V352 PolarHBondContact O-N 3.18Å; K350-V352 VanDerWaalsContact O-N 3.15Å
351E35.5Very low39Very low181 Ų181117.7 Ų117.785%0.84664%0.641SS**THydrogen-bonded Turntrans-71.38.2171.9-99.4-175.2162.900114.2
352V36.9Very low38.7Very low114 Ų114118.3 Ų118.369%0.69164%0.637SS**THydrogen-bonded Turntrans-104.5-18.1-168.8-163.70000113.7K350K350-V352 PolarHBondContact O-N 3.18Å; K350-V352 VanDerWaalsContact O-N 3.15Å
353D42.7Very low38.9Very low107 Ų107117.7 Ų117.757%0.57263%0.63SS**Hα-helixtrans-87-14.8-179.2-81-32.9000113.9A357D353-A357 WeakPolarHBondContact O-CB 3.49Å; D353-A357 PolarHBondContact O-N 3.06Å
354E51.4Low39.2Very low123 Ų123117.7 Ų117.758%0.57563%0.628SS**Hα-helixtrans-79.2-28.1-175.3-62.8-171173.900113.1A358E354-A358 VanDerWaalsContact O-CB 3.23Å; E354-A358 WeakPolarHBondContact O-CB 3.3Å; E354-A358 PolarHBondContact O-N 3.33Å
355V44.7Very low39.3Very low89 Ų89116 Ų11654%0.53963%0.628SS.*Hα-helixtrans-73.7-39.6178-178.80000110.7A358 L359V355-A358 PolarHBondContact O-N 2.77Å; V355-L359 HydrophobicContact CG1-CD1 3.86Å; V355-L359 VanDerWaalsContact O-CB 3.28Å; V355-L359 WeakPolarHBondContact O-CB 3.27Å; V355-L359 WeakPolarHBondContact O-CD1 3.46Å; V355-L359 WeakPolarHBondContact O-CG 3.28Å; V355-L359 PolarHBondContact O-N 3.11Å
356D43.6Very low39.9Very low101 Ų101114.4 Ų114.454%0.5462%0.623SS.*Hα-helixtrans-74.2-32.5178.7-77.7-13.2000112.6S360D356-S360 WeakPolarHBondContact O-CB 3.47Å; D356-S360 PolarHBondContact O-N 2.91Å; D356-S360 PolarHBondContact O-OG 3.36Å
357A50.7Low40.4Very low57 Ų57113.8 Ų113.847%0.47162%0.615SS.*Hα-helixtrans-69.8-41.4171.700000112D353 S360 D361D353-A357 WeakPolarHBondContact O-CB 3.49Å; D353-A357 PolarHBondContact O-N 3.06Å; A357-S360 PolarHBondContact O-N 2.67Å; A357-D361 PolarHBondContact O-N 3.45Å
358A44.5Very low40.8Very low51 Ų51111.3 Ų111.342%0.42162%0.621SS.*Hα-helixtrans-68.5-33.6174.500000112.5E354 V355 L362E354-A358 VanDerWaalsContact O-CB 3.23Å; E354-A358 WeakPolarHBondContact O-CB 3.3Å; E354-A358 PolarHBondContact O-N 3.33Å; V355-A358 PolarHBondContact O-N 2.77Å; A358-L362 WeakPolarHBondContact O-CB 3.31Å; A358-L362 WeakPolarHBondContact O-CG 3.18Å; A358-L362 PolarHBondContact O-N 3.37Å
359L40.2Very low41.3Very low98 Ų98108.7 Ų108.751%0.51361%0.613SS.*Hα-helixtrans-68.1-38.9172.9-80.1163.3000111.8V355 L362 E363V355-L359 HydrophobicContact CG1-CD1 3.86Å; V355-L359 VanDerWaalsContact O-CB 3.28Å; V355-L359 WeakPolarHBondContact O-CB 3.27Å; V355-L359 WeakPolarHBondContact O-CD1 3.46Å; V355-L359 WeakPolarHBondContact O-CG 3.28Å; V355-L359 PolarHBondContact O-N 3.11Å; L359-L362 PolarHBondContact O-N 3.31Å; L359-E363 WeakPolarHBondContact O-CB 3.33Å; L359-E363 PolarHBondContact O-N 3Å
360S42.9Very low41.1Very low63 Ų63109.6 Ų109.644%0.44161%0.614SS.*Hα-helixtrans-66.3-40.8174.7-65.80000112.5D356 A357 E363 I364D356-S360 WeakPolarHBondContact O-CB 3.47Å; D356-S360 PolarHBondContact O-N 2.91Å; D356-S360 PolarHBondContact O-OG 3.36Å; A357-S360 PolarHBondContact O-N 2.67Å; S360-E363 PolarHBondContact O-N 3.3Å; S360-I364 WeakPolarHBondContact O-CD1 3.29Å; S360-I364 VanDerWaalsContact O-CG1 3.27Å; S360-I364 WeakPolarHBondContact O-CG1 3.4Å; S360-I364 PolarHBondContact O-N 3.19Å
361D43.8Very low41.1Very low107 Ų107109.5 Ų109.557%0.57263%0.626SS**Hα-helixtrans-71.2-31.8177.3-90.8-3.6000112.6A357 T365A357-D361 PolarHBondContact O-N 3.45Å; D361-T365 PolarHBondContact O-N 3.23Å; D361-T365 PolarHBondContact O-OG1 2.72Å
362L40.3Very low40.7Very low97 Ų97106 Ų10651%0.50862%0.621SS.*Hα-helixtrans-72.2-35.6171.3-85.3160.3000112.2A358 L359 T365 L366A358-L362 WeakPolarHBondContact O-CB 3.31Å; A358-L362 WeakPolarHBondContact O-CG 3.18Å; A358-L362 PolarHBondContact O-N 3.37Å; L359-L362 PolarHBondContact O-N 3.31Å; L362-T365 PolarHBondContact O-N 3.31Å; L362-L366 HydrophobicContact CD2-CD1 4.17Å; L362-L366 WeakPolarHBondContact O-CB 3.46Å; L362-L366 PolarHBondContact O-N 3.25Å
363E41Very low40.7Very low118 Ų118106 Ų10655%0.55163%0.627SS**Hα-helixtrans-64.5-41174.7-163.5165.7-148.600110.7L359 S360 T365 L366 E367L359-E363 WeakPolarHBondContact O-CB 3.33Å; L359-E363 PolarHBondContact O-N 3Å; S360-E363 PolarHBondContact O-N 3.3Å; E363-T365 VanDerWaalsContact C-N 3.31Å; E363-T365 PolarHBondContact O-N 3.44Å; E363-L366 PolarHBondContact O-N 3.48Å; E363-E367 HydrophobicContact CG-CG 4.38Å; E363-E367 VanDerWaalsContact O-CB 3.31Å; E363-E367 WeakPolarHBondContact O-CB 3.44Å; E363-E367 VanDerWaalsContact O-CG 3.28Å; E363-E367 WeakPolarHBondContact O-CG 3.26Å; E363-E367 PolarHBondContact O-N 2.9Å
364I43.3Very low40.2Very low127 Ų127107.3 Ų107.365%0.65164%0.639SS**Hα-helixtrans-66.6-31.6175.1-65.5164000112.3S360S360-I364 WeakPolarHBondContact O-CD1 3.29Å; S360-I364 VanDerWaalsContact O-CG1 3.27Å; S360-I364 WeakPolarHBondContact O-CG1 3.4Å; S360-I364 PolarHBondContact O-N 3.19Å
365T41.9Very low39.4Very low114 Ų114110.7 Ų110.770%0.69966%0.66SS**Hα-helixtrans-85.8-23.5-178.7-49.80000112.9D361 L362 E363D361-T365 PolarHBondContact O-N 3.23Å; D361-T365 PolarHBondContact O-OG1 2.72Å; L362-T365 PolarHBondContact O-N 3.31Å; E363-T365 VanDerWaalsContact C-N 3.31Å; E363-T365 PolarHBondContact O-N 3.44Å
366L39.9Very low39Very low137 Ų137109.4 Ų109.472%0.71767%0.665SS**Hα-helixtrans-101-8.8179-80.5150.9000114.3L362 E363 G368L362-L366 HydrophobicContact CD2-CD1 4.17Å; L362-L366 WeakPolarHBondContact O-CB 3.46Å; L362-L366 PolarHBondContact O-N 3.25Å; E363-L366 PolarHBondContact O-N 3.48Å; L366-G368 PolarHBondContact O-N 2.96Å
367E39.3Very low38.4Very low133 Ų133111 Ų11162%0.62167%0.673SS**  trans-81.810.5171.3-77.3-162.9152.100114.8E363 G369E363-E367 HydrophobicContact CG-CG 4.38Å; E363-E367 VanDerWaalsContact O-CB 3.31Å; E363-E367 WeakPolarHBondContact O-CB 3.44Å; E363-E367 VanDerWaalsContact O-CG 3.28Å; E363-E367 WeakPolarHBondContact O-CG 3.26Å; E363-E367 PolarHBondContact O-N 2.9Å; E367-G369 PolarHBondContact O-N 3.41Å
368G39.4Very low38Very low81 Ų81116.7 Ų116.784%0.83569%0.694SS**THydrogen-bonded Turntrans-68.260157.700000111.9L366L366-G368 PolarHBondContact O-N 2.96Å
369G38.5Very low38.1Very low63 Ų63120.2 Ų120.265%0.64971%0.71SS**THydrogen-bonded Turntrans168.238.3-175.700000118.1E367E367-G369 PolarHBondContact O-N 3.41Å
370K29.8Very low38.7Very low191 Ų191120 Ų12083%0.8372%0.717SS**  trans-136.896.1157.8-70.4-175.8-173.7160.80110.5S372K370-S372 PolarHBondContact O-N 2.71Å
371T32.2Very low39.6Very low147 Ų147121.2 Ų121.290%0.90272%0.718SS**  trans-57.2105163.749.90000108.9
372S28.3Very low41.3Very low107 Ų107118.7 Ų118.775%0.74871%0.707SS**  trans-76.6127.7157.979.70000107.7K370 T374K370-S372 PolarHBondContact O-N 2.71Å; S372-T374 PolarHBondContact O-N 3.15Å; S372-T374 VanDerWaalsContact O-N 3.16Å
373S36.2Very low43.4Very low116 Ų116118.9 Ų118.981%0.81171%0.706SS**SBendtrans-57.4108.6179.948.40000111.8
374T31.5Very low45.8Very low134 Ų134114.5 Ų114.582%0.82269%0.686SS**  trans-154.586.1144.1-4.90000107.9S372 G376S372-T374 PolarHBondContact O-N 3.15Å; S372-T374 VanDerWaalsContact O-N 3.16Å; T374-G376 PolarHBondContact O-N 2.85Å
375L36.2Very low48.1Very low193 Ų193110.1 Ų110.1100%1.0167%0.669SS**  trans-61.4101.7163.1-106.9122.1000107.6
376G34.7Very low50.5Low63 Ų63107.5 Ų107.565%0.64965%0.65SS**  trans-120.2117.8166.500000109T374T374-G376 PolarHBondContact O-N 2.85Å
377D32.2Very low53Low133 Ų133105 Ų10571%0.71163%0.632SS**  trans-9.8109176.6-79.7-44.6000119.2T379D377-T379 PolarHBondContact O-N 3.17Å
378I42.7Very low55.5Low177 Ų17798.8 Ų98.891%0.90860%0.603SS**THydrogen-bonded Turntrans-76.442.4167.8-57.4166.9000111
379T46.9Very low58.1Low125 Ų12597.8 Ų97.877%0.76758%0.576SS**THydrogen-bonded Turntrans-133.1-1.7173.359.20000113.7D377D377-T379 PolarHBondContact O-N 3.17Å
380S51.2Low60.5Low94 Ų9495.2 Ų95.266%0.65755%0.548SS*.PPolyproline II helixtrans-96121.2176.263.30000111P382S380-P382 WeakPolarHBondContact O-CD 3.24Å
381I62.6Low63.3Low89 Ų8987.9 Ų87.946%0.45652%0.516SS..PPolyproline II helixtrans-68.4119.8170.8-61.5168.8000106.8E383 K409 D410I381-E383 PolarHBondContact O-N 3.38Å; I381-K409 HydrophobicContact CG2-CG 4.01Å; I381-D410 WeakPolarHBondContact CG2-OD1 3.44Å
382P78.6Confident65.7Low54 Ų5485 Ų8535%0.35149%0.49SS..PPolyproline II helixtrans-62.8131.818021.8-29.4000110.5S380 M489 A490S380-P382 WeakPolarHBondContact O-CD 3.24Å; P382-M489 HydrophobicContact CB-CB 4.44Å; P382-M489 HydrophobicContact CG-CB 4.21Å; P382-M489 VanDerWaalsContact O-CE 3.24Å; P382-M489 WeakPolarHBondContact O-CE 3.48Å; P382-A490 HydrophobicContact CG-CB 3.95Å
383E86Confident67.7Low100 Ų10082.3 Ų82.347%0.46747%0.471SS..EExtended strand (participates in β ladder)trans-129133.1-177.5-178.9173.5175.400109.6I381 T407 F408I381-E383 PolarHBondContact O-N 3.38Å; E383-T407 VanDerWaalsContact OE1-CB 3.26Å; E383-T407 WeakPolarHBondContact OE1-CB 3.41Å; E383-T407 WeakPolarHBondContact OE1-CG2 3.5Å; E383-F408 WeakPolarHBondContact CA-O 3.43Å
384L90.9Very high69Low26 Ų2683.9 Ų83.914%0.13646%0.463CS..EExtended strand (participates in β ladder)trans-97.2135.3166-64.8169.8000108.5T407 F408 H475 A479 M489L384-T407 CarbonylContact O-C 3.55Å; L384-T407 VanDerWaalsContact O-CA 3.24Å; L384-T407 WeakPolarHBondContact O-CA 3.25Å; L384-F408 HydrophobicContact CB-CB 3.98Å; L384-F408 PolarHBondContact N-O 2.66Å; L384-F408 VanDerWaalsContact N-O 3.12Å; L384-F408 PolarHBondContact O-N 3.2Å; L384-H475 HydrophobicContact CD1-CB 4.28Å; L384-H475 HydrophobicContact CD2-CB 4.26Å; L384-A479 HydrophobicContact CD1-CB 3.84Å; L384-M489 HydrophobicContact CD1-CE 4.43Å; L384-M489 HydrophobicContact CD1-SD 3.43Å; L384-M489 WeakPolarHBondContact CD1-SD 3.38Å; L384-M489 HydrophobicContact CG-CE 4.02Å; L384-M489 HydrophobicContact CG-SD 3.54Å; L384-M489 VanDerWaalsContact CG-SD 3.54Å
385A91.3Very high69.8Low36 Ų3688 Ų8830%0.29847%0.47SS..EExtended strand (participates in β ladder)trans-143.8109.2179.900000110.6W405 C406 T407A385-W405 HydrophobicContact CB-CH2 4.26Å; A385-W405 HydrophobicContact CB-CZ2 3.61Å; A385-W405 WeakPolarHBondContact O-CH2 3.48Å; A385-C406 WeakPolarHBondContact CA-O 3.33Å; A385-T407 HydrophobicContact CB-CG2 3.94Å
386D92.5Very high70Confident58 Ų5886.8 Ų86.831%0.3146%0.463SS..EExtended strand (participates in β ladder)trans-146.7162.9-176.8-67.5-56.2000111.9V388 C406 W476D386-V388 HydrophobicContact CB-CG2 4.33Å; D386-V388 PolarHBondContact O-N 2.94Å; D386-C406 PolarHBondContact N-O 3.45Å; D386-C406 PolarHBondContact O-N 3.08Å; D386-W476 HydrophobicContact CB-CZ2 4.05Å; D386-W476 PolarHBondContact OD2-NE1 2.82Å
387Y92.8Very high70.5Confident86 Ų8688 Ų8834%0.33746%0.458SS..EExtended strand (participates in β ladder)trans-75.3121.7163.9-75.5-73.9000110.5Q403 Y404 W405 K419 Q472Y387-Q403 HydrophobicContact CD1-CG 4.14Å; Y387-Y404 WeakPolarHBondContact CA-O 3.48Å; Y387-W405 HydrophobicContact CD1-CB 4.25Å; Y387-W405 HydrophobicContact CD1-CE3 4.08Å; Y387-W405 AromaticContact CD2-CE3 3.58Å; Y387-W405 HydrophobicContact CD2-CE3 3.58Å; Y387-W405 AromaticContact CD2-CZ3 3.75Å; Y387-W405 HydrophobicContact CD2-CZ3 3.75Å; Y387-W405 HydrophobicContact CE1-CB 3.91Å; Y387-W405 AromaticContact CE1-CE3 4Å; Y387-W405 HydrophobicContact CE1-CE3 4Å; Y387-W405 AromaticContact CE2-CE3 3.49Å; Y387-W405 HydrophobicContact CE2-CE3 3.49Å; Y387-W405 VanDerWaalsContact CE2-CE3 3.49Å; Y387-W405 AromaticContact CE2-CZ3 3.76Å; Y387-W405 HydrophobicContact CE2-CZ3 3.76Å; Y387-W405 AromaticContact CG-CE3 3.88Å; Y387-W405 HydrophobicContact CG-CE3 3.88Å; Y387-W405 HydrophobicContact CG-CZ3 4.39Å; Y387-W405 AromaticContact CZ-CE3 3.7Å; Y387-K419 PolarHBondContact OH-N 2.71Å; Y387-Q472 PolarHBondContact O-NE2 3.18Å
388V92.1Very high71Confident1 Ų190.2 Ų90.21%0.00647%0.469CS..EExtended strand (participates in β ladder)trans-131.9140.8-179.9-177.40000109.4D386 Y404 C406 L465 R466 W476D386-V388 HydrophobicContact CB-CG2 4.33Å; D386-V388 PolarHBondContact O-N 2.94Å; V388-Y404 PolarHBondContact N-O 3.27Å; V388-Y404 PolarHBondContact O-N 2.98Å; V388-C406 HydrophobicContact CB-CB 4.33Å; V388-C406 HydrophobicContact CG2-CB 4.35Å; V388-L465 HydrophobicContact CG1-CB 4.03Å; V388-L465 HydrophobicContact CG1-CD2 4.43Å; V388-R466 WeakPolarHBondContact CG1-O 3.19Å; V388-W476 HydrophobicContact CG2-CD2 4.09Å; V388-W476 HydrophobicContact CG2-CE3 4.38Å; V388-W476 HydrophobicContact CG2-CH2 4.03Å; V388-W476 HydrophobicContact CG2-CZ2 3.66Å; V388-W476 HydrophobicContact CG2-CZ3 4.35Å
389K92.6Very high71.5Confident61 Ų6188.4 Ų88.427%0.26545%0.454SS..EExtended strand (participates in β ladder)trans-84.6119.3176.6-73.5165.2-171.8142.60109.5Y401 K402 Q403 L465 R466 D468K389-Y401 HydrophobicContact CB-CD1 4.09Å; K389-K402 CarbonylContact C-O 3.51Å; K389-K402 WeakPolarHBondContact CA-O 3.46Å; K389-Q403 HydrophobicContact CG-CB 4.28Å; K389-L465 CarbonylContact O-C 3.55Å; K389-L465 WeakPolarHBondContact O-CA 3.34Å; K389-R466 HydrophobicContact CB-CB 3.99Å; K389-R466 PolarHBondContact N-O 3.39Å; K389-R466 VanDerWaalsContact N-O 3.09Å; K389-R466 PolarHBondContact O-N 3.4Å; K389-D468 IonicContact NZ-OD1 2.69Å; K389-D468 PolarHBondContact NZ-OD1 2.85Å; K389-D468 IonicContact NZ-OD2 2.76Å
390V90.5Very high72.6Confident9 Ų985 Ų856%0.05545%0.445CS..EExtended strand (participates in β ladder)trans-110.4133.7-178.1-172.20000110.2K402 Y404 I463 W464 L465V390-K402 PolarHBondContact N-O 3.4Å; V390-K402 PolarHBondContact O-N 3.15Å; V390-Y404 HydrophobicContact CB-CD2 3.78Å; V390-Y404 HydrophobicContact CB-CE2 4.11Å; V390-Y404 HydrophobicContact CG2-CD2 3.85Å; V390-I463 HydrophobicContact CG1-CG2 3.77Å; V390-W464 CarbonylContact C-O 3.57Å; V390-W464 WeakPolarHBondContact CA-O 3.41Å; V390-L465 HydrophobicContact CB-CD2 4.41Å; V390-L465 HydrophobicContact CG1-CD2 4.14Å; V390-L465 HydrophobicContact CG2-CD2 3.79Å
391F88Confident74.1Confident36 Ų3684 Ų8416%0.15843%0.427CS..EExtended strand (participates in β ladder)trans-125.9135.8174172.1-102.8000110.4P393 K399 Y401 W464F391-P393 HydrophobicContact CE1-CB 4.02Å; F391-P393 HydrophobicContact CE1-CG 4.25Å; F391-P393 HydrophobicContact CZ-CB 4.24Å; F391-K399 VanDerWaalsContact CD2-O 3.23Å; F391-K399 WeakPolarHBondContact CD2-O 3.48Å; F391-K399 WeakPolarHBondContact CE2-O 3.41Å; F391-Y401 HydrophobicContact CB-CD1 3.52Å; F391-Y401 HydrophobicContact CB-CD2 4.27Å; F391-Y401 HydrophobicContact CB-CE1 3.62Å; F391-Y401 HydrophobicContact CB-CE2 4.35Å; F391-Y401 HydrophobicContact CB-CG 3.88Å; F391-W464 HydrophobicContact CB-CB 4.26Å; F391-W464 HydrophobicContact CD1-CB 4.26Å; F391-W464 AromaticContact CD1-CD2 3.8Å; F391-W464 HydrophobicContact CD1-CD2 3.8Å; F391-W464 AromaticContact CD1-CE3 3.69Å; F391-W464 HydrophobicContact CD1-CE3 3.69Å; F391-W464 HydrophobicContact CD1-CG 4.07Å; F391-W464 HydrophobicContact CD1-CZ3 4.35Å; F391-W464 HydrophobicContact CE1-CD2 4.25Å; F391-W464 HydrophobicContact CE1-CE3 4.04Å; F391-W464 HydrophobicContact CE1-CZ3 4.28Å; F391-W464 PolarHBondContact N-O 3.21Å; F391-W464 PolarHBondContact O-N 3.3Å
392K82.2Confident75.3Confident86 Ų8684.6 Ų84.637%0.37443%0.426SS..  trans-129.9106.2178.7-173.7174.5-174.4166.80109.2K394 N461K392-K394 PolarHBondContact O-N 2.89Å; K392-N461 WeakPolarHBondContact CE-OD1 3.36Å; K392-N461 PolarHBondContact NZ-ND2 2.6Å; K392-N461 VanDerWaalsContact NZ-ND2 3.18Å; K392-N461 PolarHBondContact NZ-OD1 2.81Å
393P69.9Low75.9Confident52 Ų5287.1 Ų87.134%0.33843%0.433SS..  trans-64.8125.5178.423.4-30.1000110.6F391 E462F391-P393 HydrophobicContact CE1-CB 4.02Å; F391-P393 HydrophobicContact CE1-CG 4.25Å; F391-P393 HydrophobicContact CZ-CB 4.24Å; P393-E462 WeakPolarHBondContact CD-O 3.43Å; P393-E462 HydrophobicContact CG-CB 4.1Å; P393-E462 HydrophobicContact CG-CG 4.09Å
394K63.2Low76.2Confident148 Ų14883.8 Ų83.864%0.64342%0.417SS*.BIsolated β-bridgetrans-113.8138.6170.5-72.5-170.1177.9-172.20109.4K392 L396K392-K394 PolarHBondContact O-N 2.89Å; K394-L396 PolarHBondContact O-N 3.48Å
395K49.3Very low76.3Confident222 Ų22283.9 Ų83.997%0.96542%0.415SS*.THydrogen-bonded Turntrans-53.8-17-175.8-72.5-175.6176.3179.50115.9
396L41.1Very low76.4Confident166 Ų16682.1 Ų82.187%0.86940%0.401SS*.THydrogen-bonded Turntrans-138.39.7-171.3-86.9157.3000116.5K394K394-L396 PolarHBondContact O-N 3.48Å
397T44Very low76.4Confident88 Ų8879.9 Ų79.954%0.5439%0.389SS..BIsolated β-bridgetrans-152.3124.217253.60000112.1K399T397-K399 PolarHBondContact O-N 3.26Å
398L43.9Very low76.4Confident180 Ų18075.8 Ų75.894%0.94237%0.373SS*.  trans-71.5104.8168.7-82.3150.8000109.7
399K52.5Low76.3Confident139 Ų13980 Ų8060%0.60439%0.391SS*.  trans-122.5117.3159-73.5-169179.5-179.50108.4F391 T397F391-K399 VanDerWaalsContact CD2-O 3.23Å; F391-K399 WeakPolarHBondContact CD2-O 3.48Å; F391-K399 WeakPolarHBondContact CE2-O 3.41Å; T397-K399 PolarHBondContact O-N 3.26Å
400G69.9Low76.1Confident55 Ų5580.6 Ų80.657%0.56740%0.397SS*.  trans-64.6-178178.300000113.6K402G400-K402 PolarHBondContact O-N 3.33Å
401Y82.9Confident76.1Confident72 Ų7281.3 Ų81.328%0.28240%0.401SS..  trans-50.9135.5179.4-73.2-90.4000112.4K389 F391 N449 W464 R466K389-Y401 HydrophobicContact CB-CD1 4.09Å; F391-Y401 HydrophobicContact CB-CD1 3.52Å; F391-Y401 HydrophobicContact CB-CD2 4.27Å; F391-Y401 HydrophobicContact CB-CE1 3.62Å; F391-Y401 HydrophobicContact CB-CE2 4.35Å; F391-Y401 HydrophobicContact CB-CG 3.88Å; Y401-N449 PolarHBondContact OH-ND2 3.27Å; Y401-N449 VanDerWaalsContact OH-ND2 3.09Å; Y401-W464 HydrophobicContact CE1-CB 4.3Å; Y401-R466 HydrophobicContact CD1-CB 4.05Å; Y401-R466 HydrophobicContact CE1-CB 3.7Å
402K87.6Confident76.3Confident102 Ų10281 Ų8144%0.44340%0.402SS..EExtended strand (participates in β ladder)trans-121.1137.3172.1-70.5-174.6173.8-165.10110K389 V390 G400 Y404K389-K402 CarbonylContact C-O 3.51Å; K389-K402 WeakPolarHBondContact CA-O 3.46Å; V390-K402 PolarHBondContact N-O 3.4Å; V390-K402 PolarHBondContact O-N 3.15Å; G400-K402 PolarHBondContact O-N 3.33Å; K402-Y404 HydrophobicContact CB-CD2 4.29Å; K402-Y404 HydrophobicContact CB-CE2 3.6Å; K402-Y404 VanDerWaalsContact O-CD2 3.29Å; K402-Y404 WeakPolarHBondContact O-CD2 3.47Å
403Q91.4Very high76.8Confident106 Ų10676.9 Ų76.950%0.49538%0.384SS..EExtended strand (participates in β ladder)trans-79.6132.2177.3-171.6168.2-11.900110.1Y387 K389Y387-Q403 HydrophobicContact CD1-CG 4.14Å; K389-Q403 HydrophobicContact CG-CB 4.28Å
404Y91.7Very high77.9Confident31 Ų3175 Ų7512%0.12237%0.372CS..EExtended strand (participates in β ladder)trans-132.2151.6176.4-68.1-83.3000109.5Y387 V388 V390 K402 C406 C415 Y416 A427Y387-Y404 WeakPolarHBondContact CA-O 3.48Å; V388-Y404 PolarHBondContact N-O 3.27Å; V388-Y404 PolarHBondContact O-N 2.98Å; V390-Y404 HydrophobicContact CB-CD2 3.78Å; V390-Y404 HydrophobicContact CB-CE2 4.11Å; V390-Y404 HydrophobicContact CG2-CD2 3.85Å; K402-Y404 HydrophobicContact CB-CD2 4.29Å; K402-Y404 HydrophobicContact CB-CE2 3.6Å; K402-Y404 VanDerWaalsContact O-CD2 3.29Å; K402-Y404 WeakPolarHBondContact O-CD2 3.47Å; Y404-C406 PolarHBondContact O-N 2.7Å; Y404-C415 HydrophobicContact CG-CB 4.23Å; Y404-Y416 CarbonylContact C-O 3.57Å; Y404-Y416 WeakPolarHBondContact CA-O 3.36Å; Y404-Y416 WeakPolarHBondContact CB-O 3.5Å; Y404-Y416 WeakPolarHBondContact CD1-O 3.37Å; Y404-A427 HydrophobicContact CE1-CB 4.39Å
405W93.2Very high79.3Confident27 Ų2768 Ų6810%0.10234%0.341CS..EExtended strand (participates in β ladder)trans-77110.8163-179.6-102.7000108A385 Y387 Y416 K419A385-W405 HydrophobicContact CB-CH2 4.26Å; A385-W405 HydrophobicContact CB-CZ2 3.61Å; A385-W405 WeakPolarHBondContact O-CH2 3.48Å; Y387-W405 HydrophobicContact CD1-CB 4.25Å; Y387-W405 HydrophobicContact CD1-CE3 4.08Å; Y387-W405 AromaticContact CD2-CE3 3.58Å; Y387-W405 HydrophobicContact CD2-CE3 3.58Å; Y387-W405 AromaticContact CD2-CZ3 3.75Å; Y387-W405 HydrophobicContact CD2-CZ3 3.75Å; Y387-W405 HydrophobicContact CE1-CB 3.91Å; Y387-W405 AromaticContact CE1-CE3 4Å; Y387-W405 HydrophobicContact CE1-CE3 4Å; Y387-W405 AromaticContact CE2-CE3 3.49Å; Y387-W405 HydrophobicContact CE2-CE3 3.49Å; Y387-W405 VanDerWaalsContact CE2-CE3 3.49Å; Y387-W405 AromaticContact CE2-CZ3 3.76Å; Y387-W405 HydrophobicContact CE2-CZ3 3.76Å; Y387-W405 AromaticContact CG-CE3 3.88Å; Y387-W405 HydrophobicContact CG-CE3 3.88Å; Y387-W405 HydrophobicContact CG-CZ3 4.39Å; Y387-W405 AromaticContact CZ-CE3 3.7Å; W405-Y416 PolarHBondContact N-O 2.78Å; W405-Y416 WeakPolarHBondContact O-CD2 3.35Å; W405-Y416 PolarHBondContact O-N 3.17Å; W405-K419 HydrophobicContact CD2-CB 3.78Å; W405-K419 HydrophobicContact CD2-CD 4.43Å; W405-K419 HydrophobicContact CD2-CG 3.95Å; W405-K419 HydrophobicContact CE3-CB 4.07Å; W405-K419 HydrophobicContact CE3-CD 4.37Å; W405-K419 HydrophobicContact CE3-CG 4.33Å; W405-K419 HydrophobicContact CG-CB 4.03Å; W405-K419 HydrophobicContact CG-CG 4.49Å; W405-K419 HydrophobicContact CH2-CD 3.78Å; W405-K419 HydrophobicContact CH2-CG 4.25Å; W405-K419 HydrophobicContact CZ2-CD 3.8Å; W405-K419 HydrophobicContact CZ2-CG 3.83Å; W405-K419 HydrophobicContact CZ3-CD 4.06Å; W405-K419 HydrophobicContact CZ3-CG 4.47Å
406C93.9Very high81.3Confident0 Ų058.5 Ų58.50%030%0.3CS..EExtended strand (participates in β ladder)trans-109.8132.3-174.7-60.10000109.8A385 D386 V388 Y404 S414 C415 W476A385-C406 WeakPolarHBondContact CA-O 3.33Å; D386-C406 PolarHBondContact N-O 3.45Å; D386-C406 PolarHBondContact O-N 3.08Å; V388-C406 HydrophobicContact CB-CB 4.33Å; V388-C406 HydrophobicContact CG2-CB 4.35Å; Y404-C406 PolarHBondContact O-N 2.7Å; C406-S414 CarbonylContact C-O 3.6Å; C406-S414 WeakPolarHBondContact CA-O 3.48Å; C406-C415 PolarHBondContact SG-SG 2.86Å; C406-W476 HydrophobicContact CB-CH2 3.38Å; C406-W476 HydrophobicContact CB-CZ2 4.16Å; C406-W476 HydrophobicContact CB-CZ3 4.05Å; C406-W476 WeakPolarHBondContact O-CH2 3.24Å
407T92.3Very high83.5Confident11 Ų1157.5 Ų57.57%0.06729%0.289CS..EExtended strand (participates in β ladder)trans-112.7137.1170.667.70000110.7E383 L384 A385 I413 S414 Y416E383-T407 VanDerWaalsContact OE1-CB 3.26Å; E383-T407 WeakPolarHBondContact OE1-CB 3.41Å; E383-T407 WeakPolarHBondContact OE1-CG2 3.5Å; L384-T407 CarbonylContact O-C 3.55Å; L384-T407 VanDerWaalsContact O-CA 3.24Å; L384-T407 WeakPolarHBondContact O-CA 3.25Å; A385-T407 HydrophobicContact CB-CG2 3.94Å; T407-I413 WeakPolarHBondContact O-CA 3.36Å; T407-S414 PolarHBondContact N-O 3.5Å; T407-S414 PolarHBondContact O-N 2.59Å; T407-Y416 HydrophobicContact CG2-CE2 4.19Å
408F93.1Very high85.5Confident0 Ų054.7 Ų54.70%027%0.272CS..EExtended strand (participates in β ladder)trans-112.7114.7175.6-163.5-65.8000108.1E383 L384 I413 L432 W476 A479 A483 M489E383-F408 WeakPolarHBondContact CA-O 3.43Å; L384-F408 HydrophobicContact CB-CB 3.98Å; L384-F408 PolarHBondContact N-O 2.66Å; L384-F408 VanDerWaalsContact N-O 3.12Å; L384-F408 PolarHBondContact O-N 3.2Å; F408-I413 HydrophobicContact CD2-CD1 3.88Å; F408-I413 HydrophobicContact CD2-CG1 3.42Å; F408-I413 VanDerWaalsContact CD2-CG1 3.42Å; F408-I413 HydrophobicContact CE2-CD1 3.97Å; F408-I413 HydrophobicContact CE2-CG1 3.72Å; F408-I413 HydrophobicContact CG-CG1 4.27Å; F408-L432 HydrophobicContact CE2-CD1 3.57Å; F408-L432 HydrophobicContact CZ-CD1 3.89Å; F408-W476 HydrophobicContact CB-CH2 4.46Å; F408-W476 HydrophobicContact CB-CZ3 4.44Å; F408-W476 HydrophobicContact CD2-CZ3 4.4Å; F408-A479 HydrophobicContact CD1-CB 4.21Å; F408-A479 HydrophobicContact CD2-CB 4.03Å; F408-A479 HydrophobicContact CE1-CB 3.97Å; F408-A479 HydrophobicContact CE2-CB 3.79Å; F408-A479 HydrophobicContact CG-CB 4.26Å; F408-A479 HydrophobicContact CZ-CB 3.75Å; F408-A479 WeakPolarHBondContact CZ-O 3.42Å; F408-A483 HydrophobicContact CE1-CB 4.27Å; F408-A483 HydrophobicContact CZ-CB 3.63Å; F408-M489 HydrophobicContact CB-CE 4.47Å; F408-M489 HydrophobicContact CD1-CE 3.73Å; F408-M489 HydrophobicContact CD1-SD 4Å; F408-M489 HydrophobicContact CE1-CE 4.49Å; F408-M489 HydrophobicContact CE1-CG 4.49Å; F408-M489 HydrophobicContact CE1-SD 4.44Å; F408-M489 HydrophobicContact CG-CE 4.46Å; F408-M489 WeakPolarHBondContact O-CE 3.4Å
409K89.5Confident87.6Confident89 Ų8951.6 Ų51.639%0.38725%0.251SS..EExtended strand (participates in β ladder)trans-135.6132.4179.3-168.5172.4-178.4169.90109.9I381 I411 T412I381-K409 HydrophobicContact CG2-CG 4.01Å; K409-I411 PolarHBondContact O-N 3.05Å; K409-T412 PolarHBondContact N-O 3.3Å; K409-T412 PolarHBondContact O-N 3.08Å
410D87.8Confident89.1Confident73 Ų7351.9 Ų51.939%0.3926%0.255SS..THydrogen-bonded Turntrans56.3-94.2-172.3-55-47.7000112.9I381 T488I381-D410 WeakPolarHBondContact CG2-OD1 3.44Å; D410-T488 HydrophobicContact CB-CG2 4.4Å
411I91.1Very high89.5Confident24 Ų2453.9 Ų53.912%0.12325%0.249CC..THydrogen-bonded Turntrans-132.713.9179.260.6171.9000112.2K409 N431 L432 R433 A483 T488K409-I411 PolarHBondContact O-N 3.05Å; I411-N431 WeakPolarHBondContact CD1-OD1 3.27Å; I411-L432 WeakPolarHBondContact O-CB 3.49Å; I411-L432 PolarHBondContact O-N 3.04Å; I411-R433 HydrophobicContact CD1-CB 4.14Å; I411-A483 HydrophobicContact CB-CB 3.92Å; I411-A483 HydrophobicContact CG2-CB 3.98Å; I411-T488 HydrophobicContact CG2-CG2 4.38Å
412T91Very high89Confident30 Ų3051.9 Ų51.918%0.18425%0.247CC..EExtended strand (participates in β ladder)trans-120.3134.8-171.6-55.10000110.7K409 Q429 M430K409-T412 PolarHBondContact N-O 3.3Å; K409-T412 PolarHBondContact O-N 3.08Å; T412-Q429 HydrophobicContact CG2-CG 3.58Å; T412-M430 WeakPolarHBondContact CA-O 3.49Å; T412-M430 WeakPolarHBondContact CG2-O 3.4Å
413I93.8Very high88.2Confident0 Ų055.6 Ų55.60%027%0.271CS..EExtended strand (participates in β ladder)trans-99.5127.5168.3-60.9177.1000108.7T407 F408 Q429 M430 L432 L452 L465 W476T407-I413 WeakPolarHBondContact O-CA 3.36Å; F408-I413 HydrophobicContact CD2-CD1 3.88Å; F408-I413 HydrophobicContact CD2-CG1 3.42Å; F408-I413 VanDerWaalsContact CD2-CG1 3.42Å; F408-I413 HydrophobicContact CE2-CD1 3.97Å; F408-I413 HydrophobicContact CE2-CG1 3.72Å; F408-I413 HydrophobicContact CG-CG1 4.27Å; I413-Q429 WeakPolarHBondContact O-CA 3.44Å; I413-M430 HydrophobicContact CB-CG 3.82Å; I413-M430 HydrophobicContact CB-SD 4.28Å; I413-M430 PolarHBondContact N-O 2.85Å; I413-M430 PolarHBondContact O-N 2.87Å; I413-L432 HydrophobicContact CD1-CD1 3.78Å; I413-L432 HydrophobicContact CD1-CD2 4.45Å; I413-L432 HydrophobicContact CG1-CD1 3.98Å; I413-L452 HydrophobicContact CD1-CD1 4.23Å; I413-L465 HydrophobicContact CD1-CD1 3.78Å; I413-W476 HydrophobicContact CD1-CZ3 4.29Å; I413-W476 HydrophobicContact CG2-CZ3 4.34Å
414S92.8Very high87.4Confident12 Ų1252.7 Ų52.78%0.08427%0.27CS..EExtended strand (participates in β ladder)trans-117123.4173.8-55.40000109.6C406 T407 H428C406-S414 CarbonylContact C-O 3.6Å; C406-S414 WeakPolarHBondContact CA-O 3.48Å; T407-S414 PolarHBondContact N-O 3.5Å; T407-S414 PolarHBondContact O-N 2.59Å; S414-H428 CarbonylContact C-O 3.55Å; S414-H428 WeakPolarHBondContact CA-O 3.29Å
415C91.9Very high86.8Confident0 Ų057.5 Ų57.50%030%0.302CS..EExtended strand (participates in β ladder)trans-110.7127.9-177.8-51.40000110.6Y404 C406 P426 A427 H428Y404-C415 HydrophobicContact CG-CB 4.23Å; C406-C415 PolarHBondContact SG-SG 2.86Å; C415-P426 CarbonylContact O-C 3.57Å; C415-A427 WeakPolarHBondContact O-CA 3.33Å; C415-A427 WeakPolarHBondContact O-CB 3.32Å; C415-A427 PolarHBondContact O-N 2.82Å; C415-H428 HydrophobicContact CB-CB 4.12Å; C415-H428 PolarHBondContact N-O 3.35Å; C415-H428 PolarHBondContact O-N 3.45Å
416Y91.4Very high86.4Confident24 Ų2458.1 Ų58.19%0.09431%0.31CS..EExtended strand (participates in β ladder)trans-117.4154.8179.3-52.6-90.1000110.1Y404 W405 T407 S418 E421 A422 G424 P426Y404-Y416 CarbonylContact C-O 3.57Å; Y404-Y416 WeakPolarHBondContact CA-O 3.36Å; Y404-Y416 WeakPolarHBondContact CB-O 3.5Å; Y404-Y416 WeakPolarHBondContact CD1-O 3.37Å; W405-Y416 PolarHBondContact N-O 2.78Å; W405-Y416 WeakPolarHBondContact O-CD2 3.35Å; W405-Y416 PolarHBondContact O-N 3.17Å; T407-Y416 HydrophobicContact CG2-CE2 4.19Å; Y416-S418 VanDerWaalsContact C-N 3.32Å; Y416-S418 PolarHBondContact O-N 3.44Å; Y416-E421 VanDerWaalsContact CD1-O 3.27Å; Y416-E421 WeakPolarHBondContact CD1-O 3.4Å; Y416-A422 HydrophobicContact CD2-CB 4.23Å; Y416-A422 HydrophobicContact CE2-CB 4.43Å; Y416-A422 HydrophobicContact CG-CB 4.4Å; Y416-G424 WeakPolarHBondContact CE1-O 3.36Å; Y416-P426 HydrophobicContact CD1-CB 4.15Å; Y416-P426 HydrophobicContact CE1-CB 3.66Å; Y416-P426 HydrophobicContact CE1-CG 4.4Å
417K86.9Confident85.9Confident145 Ų14560.3 Ų60.363%0.6333%0.328SS*.SBendtrans-68.5-34.1-179-65.1175.4-177166.40112.1E421K417-E421 WeakPolarHBondContact CB-OE2 3.47Å
418S87.3Confident85.5Confident28 Ų2863.2 Ų63.220%0.19634%0.341CS..SBendtrans-145.9168.417579.20000110.8Y416 E420 E421Y416-S418 VanDerWaalsContact C-N 3.32Å; Y416-S418 PolarHBondContact O-N 3.44Å; S418-E420 VanDerWaalsContact C-N 3.28Å; S418-E420 WeakPolarHBondContact CB-OE2 3.44Å; S418-E420 PolarHBondContact O-N 2.98Å; S418-E420 PolarHBondContact OG-OE2 3.48Å; S418-E421 PolarHBondContact O-N 3.28Å
419K86.9Confident85.3Confident116 Ų11669.7 Ų69.750%0.50437%0.371SS..G310 helixtrans-65-32.1179.3-177.1174.2-177.8179.90112.5Y387 W405 E421 A422Y387-K419 PolarHBondContact OH-N 2.71Å; W405-K419 HydrophobicContact CD2-CB 3.78Å; W405-K419 HydrophobicContact CD2-CD 4.43Å; W405-K419 HydrophobicContact CD2-CG 3.95Å; W405-K419 HydrophobicContact CE3-CB 4.07Å; W405-K419 HydrophobicContact CE3-CD 4.37Å; W405-K419 HydrophobicContact CE3-CG 4.33Å; W405-K419 HydrophobicContact CG-CB 4.03Å; W405-K419 HydrophobicContact CG-CG 4.49Å; W405-K419 HydrophobicContact CH2-CD 3.78Å; W405-K419 HydrophobicContact CH2-CG 4.25Å; W405-K419 HydrophobicContact CZ2-CD 3.8Å; W405-K419 HydrophobicContact CZ2-CG 3.83Å; W405-K419 HydrophobicContact CZ3-CD 4.06Å; W405-K419 HydrophobicContact CZ3-CG 4.47Å; K419-E421 VanDerWaalsContact C-N 3.26Å; K419-E421 PolarHBondContact O-N 3.39Å; K419-A422 WeakPolarHBondContact O-CB 3.46Å; K419-A422 PolarHBondContact O-N 3.42Å
420E84.1Confident85.3Confident145 Ų14566.1 Ų66.168%0.67836%0.356SS*.G310 helixtrans-69.3-26.2180-55.472-149.800111.9S418 A422S418-E420 VanDerWaalsContact C-N 3.28Å; S418-E420 WeakPolarHBondContact CB-OE2 3.44Å; S418-E420 PolarHBondContact O-N 2.98Å; S418-E420 PolarHBondContact OG-OE2 3.48Å; E420-A422 VanDerWaalsContact C-N 3.34Å
421E79.6Confident85.4Confident97 Ų9766.6 Ų66.645%0.45336%0.358SS..G310 helixtrans-86.10.8176.2-66.8-177.3-170.500113.5Y416 K417 S418 K419 L423 G424Y416-E421 VanDerWaalsContact CD1-O 3.27Å; Y416-E421 WeakPolarHBondContact CD1-O 3.4Å; K417-E421 WeakPolarHBondContact CB-OE2 3.47Å; S418-E421 PolarHBondContact O-N 3.28Å; K419-E421 VanDerWaalsContact C-N 3.26Å; K419-E421 PolarHBondContact O-N 3.39Å; E421-L423 PolarHBondContact O-N 2.89Å; E421-L423 VanDerWaalsContact O-N 3.13Å; E421-G424 PolarHBondContact O-N 3.1Å
422A73Confident85.4Confident29 Ų2965.4 Ų65.424%0.2435%0.352CS..THydrogen-bonded Turntrans-64.7-17.3-175.500000114.5Y416 K419 E420Y416-A422 HydrophobicContact CD2-CB 4.23Å; Y416-A422 HydrophobicContact CE2-CB 4.43Å; Y416-A422 HydrophobicContact CG-CB 4.4Å; K419-A422 WeakPolarHBondContact O-CB 3.46Å; K419-A422 PolarHBondContact O-N 3.42Å; E420-A422 VanDerWaalsContact C-N 3.34Å
423L69.8Low85.2Confident180 Ų18072 Ų7294%0.94237%0.374SS*.THydrogen-bonded Turntrans-87.6-7.6173.4-71.4159.8000113E421E421-L423 PolarHBondContact O-N 2.89Å; E421-L423 VanDerWaalsContact O-N 3.13Å
424G74.1Confident84.7Confident45 Ų4574.3 Ų74.346%0.46440%0.398SS..SBendtrans-94.5-164.1-179.700000113.4Y416 E421Y416-G424 WeakPolarHBondContact CE1-O 3.36Å; E421-G424 PolarHBondContact O-N 3.1Å
425T78.9Confident84.6Confident132 Ų13274.1 Ų74.181%0.8140%0.397SS*.  trans-75.4127.9175.551.70000111
426P86.3Confident84.4Confident40 Ų4079.6 Ų79.626%0.2642%0.422SS..  trans-65.2142179.625.9-33.4000111.5C415 Y416 H428 Q429C415-P426 CarbonylContact O-C 3.57Å; Y416-P426 HydrophobicContact CD1-CB 4.15Å; Y416-P426 HydrophobicContact CE1-CB 3.66Å; Y416-P426 HydrophobicContact CE1-CG 4.4Å; P426-H428 VanDerWaalsContact C-N 3.3Å; P426-Q429 HydrophobicContact CG-CB 4.07Å
427A83.3Confident84.5Confident46 Ų4679.9 Ų79.938%0.3843%0.426SS..SBendtrans-66.3-36.217400000111.4Y404 C415Y404-A427 HydrophobicContact CE1-CB 4.39Å; C415-A427 WeakPolarHBondContact O-CA 3.33Å; C415-A427 WeakPolarHBondContact O-CB 3.32Å; C415-A427 PolarHBondContact O-N 2.82Å
428H83.5Confident84.6Confident72 Ų7276.1 Ų76.133%0.33342%0.415SS..EExtended strand (participates in β ladder)trans-137.4135.5172.7-58.5-44.5000109.7S414 C415 P426 M430S414-H428 CarbonylContact C-O 3.55Å; S414-H428 WeakPolarHBondContact CA-O 3.29Å; C415-H428 HydrophobicContact CB-CB 4.12Å; C415-H428 PolarHBondContact N-O 3.35Å; C415-H428 PolarHBondContact O-N 3.45Å; P426-H428 VanDerWaalsContact C-N 3.3Å; H428-M430 HydrophobicContact CB-CE 4.36Å
429Q88.4Confident84.8Confident137 Ų13777.9 Ų77.964%0.6443%0.427SS*.EExtended strand (participates in β ladder)trans-131.1134.7171.7-168.9174.942.200108.6T412 I413 P426T412-Q429 HydrophobicContact CG2-CG 3.58Å; I413-Q429 WeakPolarHBondContact O-CA 3.44Å; P426-Q429 HydrophobicContact CG-CB 4.07Å
430M89.4Confident84.8Confident14 Ų1475.2 Ų75.27%0.06942%0.418CS..EExtended strand (participates in β ladder)trans-144.2128.4-176.266.2-166.179.700111.4T412 I413 H428 L432 I454 I463T412-M430 WeakPolarHBondContact CA-O 3.49Å; T412-M430 WeakPolarHBondContact CG2-O 3.4Å; I413-M430 HydrophobicContact CB-CG 3.82Å; I413-M430 HydrophobicContact CB-SD 4.28Å; I413-M430 PolarHBondContact N-O 2.85Å; I413-M430 PolarHBondContact O-N 2.87Å; H428-M430 HydrophobicContact CB-CE 4.36Å; M430-L432 HydrophobicContact CG-CD2 4.16Å; M430-I454 HydrophobicContact CB-CD1 3.69Å; M430-I454 HydrophobicContact CG-CD1 3.89Å; M430-I454 HydrophobicContact SD-CD1 3.74Å; M430-I463 HydrophobicContact CE-CD1 3.54Å; M430-I463 HydrophobicContact CE-CG2 4.26Å; M430-I463 HydrophobicContact SD-CD1 3.53Å; M430-I463 VanDerWaalsContact SD-CD1 3.53Å; M430-I463 HydrophobicContact SD-CG2 4.22Å
431N90.2Very high84.9Confident82 Ų8270.5 Ų70.544%0.43940%0.399SS..EExtended strand (participates in β ladder)trans-89.2129.9173.4-172.8-35.6000108.7I411 R433 I454I411-N431 WeakPolarHBondContact CD1-OD1 3.27Å; N431-R433 WeakPolarHBondContact OD1-CB 3.38Å; N431-R433 PolarHBondContact OD1-N 3.27Å; N431-I454 VanDerWaalsContact O-CG2 3.3Å; N431-I454 WeakPolarHBondContact O-CG2 3.28Å
432L90.9Very high85Confident0 Ų069.4 Ų69.40%040%0.396CS..  trans-94.1-0.9-174-59.5-175.7000114F408 I411 I413 M430 G434 C435 L452 I454 C480 A483 S484F408-L432 HydrophobicContact CE2-CD1 3.57Å; F408-L432 HydrophobicContact CZ-CD1 3.89Å; I411-L432 WeakPolarHBondContact O-CB 3.49Å; I411-L432 PolarHBondContact O-N 3.04Å; I413-L432 HydrophobicContact CD1-CD1 3.78Å; I413-L432 HydrophobicContact CD1-CD2 4.45Å; I413-L432 HydrophobicContact CG1-CD1 3.98Å; M430-L432 HydrophobicContact CG-CD2 4.16Å; L432-G434 PolarHBondContact O-N 3.02Å; L432-G434 VanDerWaalsContact O-N 3.16Å; L432-C435 VanDerWaalsContact O-CB 3.3Å; L432-C435 WeakPolarHBondContact O-CB 3.46Å; L432-C435 PolarHBondContact O-N 3.49Å; L432-C435 PolarHBondContact O-SG 3.15Å; L432-L452 HydrophobicContact CD2-CD1 4.03Å; L432-I454 HydrophobicContact CD2-CD1 3.73Å; L432-I454 HydrophobicContact CD2-CG1 4.25Å; L432-C480 HydrophobicContact CD1-CB 4.36Å; L432-A483 HydrophobicContact CB-CB 3.85Å; L432-A483 HydrophobicContact CD1-CB 4.09Å; L432-S484 VanDerWaalsContact O-CA 3.3Å; L432-S484 WeakPolarHBondContact O-CA 3.45Å
433R88Confident85.3Confident167 Ų16769 Ų6963%0.6339%0.39SS*.THydrogen-bonded Turntrans-57.8122.8-179.9179.2176-88.6-176.6-6.3111.1I411 N431 C435I411-R433 HydrophobicContact CD1-CB 4.14Å; N431-R433 WeakPolarHBondContact OD1-CB 3.38Å; N431-R433 PolarHBondContact OD1-N 3.27Å; R433-C435 VanDerWaalsContact C-N 3.28Å; R433-C435 PolarHBondContact O-N 3.14Å
434G82.6Confident85.6Confident50 Ų5066 Ų6652%0.51538%0.384SS..THydrogen-bonded Turntrans72.915.2-179.800000114.6L432 S484L432-G434 PolarHBondContact O-N 3.02Å; L432-G434 VanDerWaalsContact O-N 3.16Å; G434-S484 PolarHBondContact N-O 3.35Å
435C89.8Confident85.6Confident8 Ų866 Ų665%0.05438%0.383CS..  trans-77.6151.817479.50000112.1L432 R433 V437 L453 I454 S484L432-C435 VanDerWaalsContact O-CB 3.3Å; L432-C435 WeakPolarHBondContact O-CB 3.46Å; L432-C435 PolarHBondContact O-N 3.49Å; L432-C435 PolarHBondContact O-SG 3.15Å; R433-C435 VanDerWaalsContact C-N 3.28Å; R433-C435 PolarHBondContact O-N 3.14Å; C435-V437 VanDerWaalsContact SG-CG2 3.57Å; C435-L453 CarbonylContact C-O 3.58Å; C435-L453 VanDerWaalsContact CA-O 3.23Å; C435-L453 WeakPolarHBondContact CA-O 3.37Å; C435-L453 VanDerWaalsContact CB-O 3.32Å; C435-L453 WeakPolarHBondContact CB-O 3.32Å; C435-I454 HydrophobicContact CB-CG1 4.1Å; C435-S484 WeakPolarHBondContact O-CB 3.28Å
436E89.1Confident85.7Confident115 Ų11566.6 Ų66.654%0.53738%0.377SS..EExtended strand (participates in β ladder)trans-90.3129.6168.4-61.6176.6175.600109.4L452 L453E436-L452 WeakPolarHBondContact O-CA 3.19Å; E436-L453 HydrophobicContact CB-CB 4.13Å; E436-L453 PolarHBondContact N-O 3.13Å; E436-L453 PolarHBondContact O-N 3.38Å
437V92.1Very high85.7Confident29 Ų2968 Ų6818%0.17638%0.379CS..EExtended strand (participates in β ladder)trans-116.1113.5-176.7-174.10000108.9C435 I450 K451 L452 M477 C480 R481C435-V437 VanDerWaalsContact SG-CG2 3.57Å; V437-I450 HydrophobicContact CG1-CG2 3.82Å; V437-K451 WeakPolarHBondContact CA-O 3.24Å; V437-L452 HydrophobicContact CB-CD2 4.28Å; V437-L452 HydrophobicContact CG1-CD2 3.97Å; V437-L452 HydrophobicContact CG2-CD2 3.83Å; V437-M477 HydrophobicContact CG1-CE 4.24Å; V437-M477 HydrophobicContact CG1-SD 3.58Å; V437-M477 VanDerWaalsContact CG1-SD 3.58Å; V437-C480 HydrophobicContact CG1-CB 3.93Å; V437-C480 HydrophobicContact CG2-CB 4.2Å; V437-R481 HydrophobicContact CG1-CG 4.36Å
438T89.1Confident86.2Confident66 Ų6666 Ų6641%0.40536%0.362SS..EExtended strand (participates in β ladder)trans-117.1129.2-178-43.70000110.9K451T438-K451 PolarHBondContact N-O 3.39Å; T438-K451 PolarHBondContact O-N 3.18Å
439P91.1Very high86.6Confident66 Ų6662.8 Ų62.843%0.42935%0.347SS..EExtended strand (participates in β ladder)trans-73.3141.317228-31.2000111.6Y473 M477P439-Y473 WeakPolarHBondContact CB-OH 3.34Å; P439-M477 VanDerWaalsContact CA-CE 3.47Å; P439-M477 HydrophobicContact CB-CE 3.42Å; P439-M477 VanDerWaalsContact CB-CE 3.42Å; P439-M477 HydrophobicContact CG-CE 4.07Å
440D87.7Confident86.9Confident59 Ų5956.3 Ų56.332%0.31632%0.317SS..EExtended strand (participates in β ladder)trans-133.980.1166.7167.531.4000107.8K447 N449D440-K447 WeakPolarHBondContact OD1-CE 3.35Å; D440-K447 IonicContact OD1-NZ 3.75Å; D440-K447 PolarHBondContact OD1-NZ 3.35Å; D440-K447 WeakPolarHBondContact OD2-CE 3.44Å; D440-K447 IonicContact OD2-NZ 3.11Å; D440-K447 PolarHBondContact OD2-NZ 2.76Å; D440-N449 HydrophobicContact CB-CB 3.8Å; D440-N449 PolarHBondContact N-O 2.72Å; D440-N449 WeakPolarHBondContact O-CA 3.29Å; D440-N449 VanDerWaalsContact O-CB 3.29Å; D440-N449 WeakPolarHBondContact O-CB 3.25Å; D440-N449 PolarHBondContact O-N 3.16Å; D440-N449 PolarHBondContact OD2-ND2 3.17Å
441V86.2Confident87Confident46 Ų4658.8 Ų58.828%0.27933%0.327SS..EExtended strand (participates in β ladder)trans-113.2131.9-173.6-1780000111I443 K447 F448 Y473 L505V441-I443 HydrophobicContact CG1-CG1 4.05Å; V441-K447 CarbonylContact C-O 3.56Å; V441-K447 VanDerWaalsContact CA-O 3.24Å; V441-K447 WeakPolarHBondContact CA-O 3.4Å; V441-F448 HydrophobicContact CG1-CD1 3.75Å; V441-F448 HydrophobicContact CG1-CE1 4.02Å; V441-Y473 HydrophobicContact CG2-CD1 4.48Å; V441-Y473 HydrophobicContact CG2-CD2 4.29Å; V441-Y473 HydrophobicContact CG2-CE1 3.74Å; V441-Y473 HydrophobicContact CG2-CE2 3.5Å; V441-Y473 WeakPolarHBondContact CG2-OH 3.28Å; V441-L505 HydrophobicContact CG1-CD2 4.11Å
442N81.6Confident87.1Confident74 Ų7454.9 Ų54.940%0.39631%0.306SS..EExtended strand (participates in β ladder)trans-132.1108.3165.1176.5-11000108S444 G445 Q446 K447N442-S444 PolarHBondContact OD1-N 2.79Å; N442-S444 PolarHBondContact OD1-OG 3.04Å; N442-G445 CarbonylContact O-C 3.5Å; N442-G445 PolarHBondContact O-N 3.06Å; N442-G445 PolarHBondContact OD1-N 3.15Å; N442-Q446 PolarHBondContact O-N 3.29Å; N442-Q446 VanDerWaalsContact O-N 3.11Å; N442-K447 HydrophobicContact CB-CB 4.08Å; N442-K447 PolarHBondContact N-O 2.8Å; N442-K447 PolarHBondContact O-N 2.96Å
443I80.4Confident87.1Confident21 Ų2156.6 Ų56.611%0.10832%0.315CS..THydrogen-bonded Turntrans-68.4-45.7-175.7-61.7-174000111.5V441 G445 Q446 F448 L505 Q508 H509V441-I443 HydrophobicContact CG1-CG1 4.05Å; I443-G445 PolarHBondContact O-N 2.95Å; I443-Q446 PolarHBondContact O-N 3.34Å; I443-F448 HydrophobicContact CG1-CE1 4.43Å; I443-L505 HydrophobicContact CD1-CB 4.32Å; I443-L505 HydrophobicContact CD1-CD2 3.74Å; I443-L505 WeakPolarHBondContact CD1-O 3.35Å; I443-L505 HydrophobicContact CG1-CD2 4.11Å; I443-Q508 HydrophobicContact CD1-CB 3.41Å; I443-Q508 VanDerWaalsContact CD1-CB 3.41Å; I443-Q508 HydrophobicContact CD1-CG 4.23Å; I443-H509 VanDerWaalsContact CG2-CE1 3.5Å; I443-H509 WeakPolarHBondContact CG2-CE1 3.15Å; I443-H509 WeakPolarHBondContact CG2-NE2 3.31Å
444S75.4Confident87.1Confident117 Ų11749 Ų4982%0.81829%0.287SS*.THydrogen-bonded Turntrans-64.5-31.1179.460.40000112.2N442N442-S444 PolarHBondContact OD1-N 2.79Å; N442-S444 PolarHBondContact OD1-OG 3.04Å
445G74.6Confident87.1Confident44 Ų4449.6 Ų49.645%0.45428%0.282SS..THydrogen-bonded Turntrans-89.76.3173.800000115.7N442 I443 K447N442-G445 CarbonylContact O-C 3.5Å; N442-G445 PolarHBondContact O-N 3.06Å; N442-G445 PolarHBondContact OD1-N 3.15Å; I443-G445 PolarHBondContact O-N 2.95Å; G445-K447 PolarHBondContact O-N 3.47Å; G445-K447 VanDerWaalsContact O-N 3.11Å
446Q80.1Confident86.7Confident145 Ų14552.8 Ų52.868%0.67830%0.301SS*.THydrogen-bonded Turntrans44.741.9-174.2-63.2-172.8-500113.7N442 I443 F448N442-Q446 PolarHBondContact O-N 3.29Å; N442-Q446 VanDerWaalsContact O-N 3.11Å; I443-Q446 PolarHBondContact O-N 3.34Å; Q446-F448 HydrophobicContact CB-CE2 4.36Å
447K86.7Confident86.1Confident69 Ų6952.6 Ų52.630%0.332%0.319SS..EExtended strand (participates in β ladder)trans-104.9110179.6-171.9-171.6176.9-156.40107.9D440 V441 N442 G445 N449D440-K447 WeakPolarHBondContact OD1-CE 3.35Å; D440-K447 IonicContact OD1-NZ 3.75Å; D440-K447 PolarHBondContact OD1-NZ 3.35Å; D440-K447 WeakPolarHBondContact OD2-CE 3.44Å; D440-K447 IonicContact OD2-NZ 3.11Å; D440-K447 PolarHBondContact OD2-NZ 2.76Å; V441-K447 CarbonylContact C-O 3.56Å; V441-K447 VanDerWaalsContact CA-O 3.24Å; V441-K447 WeakPolarHBondContact CA-O 3.4Å; N442-K447 HydrophobicContact CB-CB 4.08Å; N442-K447 PolarHBondContact N-O 2.8Å; N442-K447 PolarHBondContact O-N 2.96Å; G445-K447 PolarHBondContact O-N 3.47Å; G445-K447 VanDerWaalsContact O-N 3.11Å; K447-N449 WeakPolarHBondContact CE-ND2 3.25Å
448F92.8Very high85Confident6 Ų659.3 Ų59.33%0.02635%0.354CS..EExtended strand (participates in β ladder)trans-120.178.2179.3-55.9-72000110.4V441 I443 Q446 R466 C467 E470 Y473V441-F448 HydrophobicContact CG1-CD1 3.75Å; V441-F448 HydrophobicContact CG1-CE1 4.02Å; I443-F448 HydrophobicContact CG1-CE1 4.43Å; Q446-F448 HydrophobicContact CB-CE2 4.36Å; F448-R466 WeakPolarHBondContact O-CA 3.35Å; F448-C467 HydrophobicContact CB-CB 4.12Å; F448-C467 PolarHBondContact O-N 2.92Å; F448-E470 HydrophobicContact CD1-CG 4.45Å; F448-E470 HydrophobicContact CE1-CG 3.5Å; F448-E470 VanDerWaalsContact CE1-CG 3.5Å; F448-E470 HydrophobicContact CE2-CG 4.28Å; F448-E470 HydrophobicContact CZ-CG 3.4Å; F448-Y473 HydrophobicContact CB-CD2 3.84Å; F448-Y473 HydrophobicContact CB-CG 3.96Å; F448-Y473 HydrophobicContact CD1-CG 4.28Å; F448-Y473 HydrophobicContact CG-CG 4.48Å
449N91.8Very high84.4Confident4 Ų458 Ų582%0.02135%0.354CS..EExtended strand (participates in β ladder)trans-100.8144.6-178.2-68-10.8000112.2Y401 D440 K447 L465 R466Y401-N449 PolarHBondContact OH-ND2 3.27Å; Y401-N449 VanDerWaalsContact OH-ND2 3.09Å; D440-N449 HydrophobicContact CB-CB 3.8Å; D440-N449 PolarHBondContact N-O 2.72Å; D440-N449 WeakPolarHBondContact O-CA 3.29Å; D440-N449 VanDerWaalsContact O-CB 3.29Å; D440-N449 WeakPolarHBondContact O-CB 3.25Å; D440-N449 PolarHBondContact O-N 3.16Å; D440-N449 PolarHBondContact OD2-ND2 3.17Å; K447-N449 WeakPolarHBondContact CE-ND2 3.25Å; N449-L465 CarbonylContact C-O 3.54Å; N449-L465 VanDerWaalsContact CA-O 3.26Å; N449-L465 WeakPolarHBondContact CA-O 3.26Å; N449-R466 VanDerWaalsContact OD1-CB 3.24Å; N449-R466 WeakPolarHBondContact OD1-CB 3.48Å; N449-R466 WeakPolarHBondContact OD1-CD 3.3Å; N449-R466 WeakPolarHBondContact OD1-CG 3.44Å
450I94.6Very high83.9Confident0 Ų060.4 Ų60.40%036%0.361CS..EExtended strand (participates in β ladder)trans-121.8117.9171.3-54.1167000107V437 L452 W464 L465 Y473 W476 M477V437-I450 HydrophobicContact CG1-CG2 3.82Å; I450-L452 HydrophobicContact CG2-CD2 3.91Å; I450-L452 HydrophobicContact CG2-CG 4.32Å; I450-W464 WeakPolarHBondContact O-CA 3.3Å; I450-L465 HydrophobicContact CB-CB 4.28Å; I450-L465 PolarHBondContact N-O 2.95Å; I450-L465 PolarHBondContact O-N 2.81Å; I450-Y473 HydrophobicContact CD1-CD2 4.16Å; I450-Y473 HydrophobicContact CD1-CE2 4.26Å; I450-Y473 HydrophobicContact CG1-CD2 3.87Å; I450-Y473 HydrophobicContact CG1-CE2 3.59Å; I450-W476 HydrophobicContact CD1-CB 3.95Å; I450-M477 HydrophobicContact CD1-CB 3.97Å; I450-M477 HydrophobicContact CG1-CB 4.42Å; I450-M477 HydrophobicContact CG1-SD 4.28Å; I450-M477 HydrophobicContact CG2-CE 4.47Å; I450-M477 HydrophobicContact CG2-SD 4.01Å
451K93.3Very high83.7Confident66 Ų6659.3 Ų59.329%0.28736%0.355SS..EExtended strand (participates in β ladder)trans-95.4126.7175.7177.3174.6174.3154.90109.4V437 T438 E462V437-K451 WeakPolarHBondContact CA-O 3.24Å; T438-K451 PolarHBondContact N-O 3.39Å; T438-K451 PolarHBondContact O-N 3.18Å; K451-E462 WeakPolarHBondContact CE-OE1 3.37Å; K451-E462 IonicContact NZ-OE1 3.96Å; K451-E462 PolarHBondContact NZ-OE1 3.45Å
452L92.4Very high83.8Confident0 Ų059.6 Ų59.60%035%0.353CS..EExtended strand (participates in β ladder)trans-117.2125.3-179.3-57.8175.4000109.7I413 L432 E436 V437 I450 I454 E462 I463 L465 C480I413-L452 HydrophobicContact CD1-CD1 4.23Å; L432-L452 HydrophobicContact CD2-CD1 4.03Å; E436-L452 WeakPolarHBondContact O-CA 3.19Å; V437-L452 HydrophobicContact CB-CD2 4.28Å; V437-L452 HydrophobicContact CG1-CD2 3.97Å; V437-L452 HydrophobicContact CG2-CD2 3.83Å; I450-L452 HydrophobicContact CG2-CD2 3.91Å; I450-L452 HydrophobicContact CG2-CG 4.32Å; L452-I454 HydrophobicContact CB-CG1 4.29Å; L452-E462 CarbonylContact O-C 3.55Å; L452-E462 WeakPolarHBondContact O-CA 3.35Å; L452-I463 WeakPolarHBondContact CB-O 3.35Å; L452-I463 PolarHBondContact N-O 3.43Å; L452-I463 PolarHBondContact O-N 3.48Å; L452-L465 HydrophobicContact CD1-CD1 3.73Å; L452-L465 HydrophobicContact CD1-CG 4.06Å; L452-C480 HydrophobicContact CD2-CB 4.17Å
453L89.8Confident84.2Confident37 Ų3756.5 Ų56.519%0.19434%0.336CS..EExtended strand (participates in β ladder)trans-111.2103.9171.3-83.6153.8000108.5C435 E436 M460 E462C435-L453 CarbonylContact C-O 3.58Å; C435-L453 VanDerWaalsContact CA-O 3.23Å; C435-L453 WeakPolarHBondContact CA-O 3.37Å; C435-L453 VanDerWaalsContact CB-O 3.32Å; C435-L453 WeakPolarHBondContact CB-O 3.32Å; E436-L453 HydrophobicContact CB-CB 4.13Å; E436-L453 PolarHBondContact N-O 3.13Å; E436-L453 PolarHBondContact O-N 3.38Å; L453-M460 HydrophobicContact CD2-CB 4.18Å; L453-E462 HydrophobicContact CD2-CB 4.18Å; L453-E462 HydrophobicContact CD2-CG 4.46Å
454I88.8Confident84.7Confident8 Ų859 Ų594%0.04135%0.345CS..EExtended strand (participates in β ladder)trans-103123.5-170.3-54.5178.8000109.7M430 N431 L432 C435 L452 V456 N461 I463M430-I454 HydrophobicContact CB-CD1 3.69Å; M430-I454 HydrophobicContact CG-CD1 3.89Å; M430-I454 HydrophobicContact SD-CD1 3.74Å; N431-I454 VanDerWaalsContact O-CG2 3.3Å; N431-I454 WeakPolarHBondContact O-CG2 3.28Å; L432-I454 HydrophobicContact CD2-CD1 3.73Å; L432-I454 HydrophobicContact CD2-CG1 4.25Å; C435-I454 HydrophobicContact CB-CG1 4.1Å; L452-I454 HydrophobicContact CB-CG1 4.29Å; I454-V456 PolarHBondContact O-N 3.48Å; I454-N461 PolarHBondContact N-O 3Å; I454-N461 PolarHBondContact O-N 3.38Å; I454-I463 HydrophobicContact CD1-CD1 4.15Å
455P82.7Confident85.6Confident62 Ų6253.5 Ų53.540%0.40331%0.306SS..EExtended strand (participates in β ladder)trans-69.3125.9176.627.9-33.1000110.8M460P455-M460 HydrophobicContact CB-SD 4.01Å
456V80.7Confident86.5Confident75 Ų7555.3 Ų55.346%0.45530%0.299SS..EExtended strand (participates in β ladder)trans-128163.1173.9-65.10000109.8I454 D458 G459 N461I454-V456 PolarHBondContact O-N 3.48Å; V456-D458 PolarHBondContact O-N 2.95Å; V456-G459 CarbonylContact C-O 3.47Å; V456-G459 WeakPolarHBondContact CG2-O 3.48Å; V456-G459 PolarHBondContact N-O 3.09Å; V456-G459 PolarHBondContact O-N 3.21Å; V456-N461 HydrophobicContact CG1-CB 4.16Å; V456-N461 HydrophobicContact CG2-CB 4.07Å
457A75.6Confident87.1Confident110 Ų11048.4 Ų48.491%0.90927%0.267SS*.THydrogen-bonded Turntrans-55.1-31-174.900000114.1
458D70.6Confident87.2Confident170 Ų17048.6 Ų48.691%0.90927%0.271SS*.THydrogen-bonded Turntrans-100.715.8-178.7-65.3-29.6000114.2V456V456-D458 PolarHBondContact O-N 2.95Å
459G76.4Confident87.2Confident40 Ų4051.9 Ų51.941%0.41229%0.292SS..EExtended strand (participates in β ladder)trans131.1-149.6176.500000114.5V456V456-G459 CarbonylContact C-O 3.47Å; V456-G459 WeakPolarHBondContact CG2-O 3.48Å; V456-G459 PolarHBondContact N-O 3.09Å; V456-G459 PolarHBondContact O-N 3.21Å
460M79.3Confident87Confident115 Ų11554 Ų5457%0.56730%0.302SS*.EExtended strand (participates in β ladder)trans-100.3131.2175.9-68-62.5-158.300110.6L453 P455L453-M460 HydrophobicContact CD2-CB 4.18Å; P455-M460 HydrophobicContact CB-SD 4.01Å
461N83.3Confident86.9Confident37 Ų3761.1 Ų61.120%0.19833%0.333CS..EExtended strand (participates in β ladder)trans-104.1114.9174.9-175.233.9000110.2K392 I454 V456K392-N461 WeakPolarHBondContact CE-OD1 3.36Å; K392-N461 PolarHBondContact NZ-ND2 2.6Å; K392-N461 VanDerWaalsContact NZ-ND2 3.18Å; K392-N461 PolarHBondContact NZ-OD1 2.81Å; I454-N461 PolarHBondContact N-O 3Å; I454-N461 PolarHBondContact O-N 3.38Å; V456-N461 HydrophobicContact CG1-CB 4.16Å; V456-N461 HydrophobicContact CG2-CB 4.07Å
462E88.9Confident86.9Confident51 Ų5159.2 Ų59.224%0.23832%0.324CS..EExtended strand (participates in β ladder)trans-89.3129.5-179-174.7177.9-167.900111.3P393 K451 L452 L453 W464P393-E462 WeakPolarHBondContact CD-O 3.43Å; P393-E462 HydrophobicContact CG-CB 4.1Å; P393-E462 HydrophobicContact CG-CG 4.09Å; K451-E462 WeakPolarHBondContact CE-OE1 3.37Å; K451-E462 IonicContact NZ-OE1 3.96Å; K451-E462 PolarHBondContact NZ-OE1 3.45Å; L452-E462 CarbonylContact O-C 3.55Å; L452-E462 WeakPolarHBondContact O-CA 3.35Å; L453-E462 HydrophobicContact CD2-CB 4.18Å; L453-E462 HydrophobicContact CD2-CG 4.46Å; E462-W464 PolarHBondContact OE1-NE1 2.98Å
463I90.1Very high87Confident9 Ų959.6 Ų59.65%0.04633%0.326CS..EExtended strand (participates in β ladder)trans-138.3133.7178.6-61.6-179.4000109.2V390 M430 L452 I454 L465V390-I463 HydrophobicContact CG1-CG2 3.77Å; M430-I463 HydrophobicContact CE-CD1 3.54Å; M430-I463 HydrophobicContact CE-CG2 4.26Å; M430-I463 HydrophobicContact SD-CD1 3.53Å; M430-I463 VanDerWaalsContact SD-CD1 3.53Å; M430-I463 HydrophobicContact SD-CG2 4.22Å; L452-I463 WeakPolarHBondContact CB-O 3.35Å; L452-I463 PolarHBondContact N-O 3.43Å; L452-I463 PolarHBondContact O-N 3.48Å; I454-I463 HydrophobicContact CD1-CD1 4.15Å; I463-L465 HydrophobicContact CG2-CD2 4.31Å
464W91.7Very high87.2Confident75 Ų7557.9 Ų57.928%0.28432%0.317SS..EExtended strand (participates in β ladder)trans-113.6126.8178.5-581.5000109.6V390 F391 Y401 I450 E462V390-W464 CarbonylContact C-O 3.57Å; V390-W464 WeakPolarHBondContact CA-O 3.41Å; F391-W464 HydrophobicContact CB-CB 4.26Å; F391-W464 HydrophobicContact CD1-CB 4.26Å; F391-W464 AromaticContact CD1-CD2 3.8Å; F391-W464 HydrophobicContact CD1-CD2 3.8Å; F391-W464 AromaticContact CD1-CE3 3.69Å; F391-W464 HydrophobicContact CD1-CE3 3.69Å; F391-W464 HydrophobicContact CD1-CG 4.07Å; F391-W464 HydrophobicContact CD1-CZ3 4.35Å; F391-W464 HydrophobicContact CE1-CD2 4.25Å; F391-W464 HydrophobicContact CE1-CE3 4.04Å; F391-W464 HydrophobicContact CE1-CZ3 4.28Å; F391-W464 PolarHBondContact N-O 3.21Å; F391-W464 PolarHBondContact O-N 3.3Å; Y401-W464 HydrophobicContact CE1-CB 4.3Å; I450-W464 WeakPolarHBondContact O-CA 3.3Å; E462-W464 PolarHBondContact OE1-NE1 2.98Å
465L93.1Very high87.5Confident0 Ų060.5 Ų60.50%033%0.329CS..EExtended strand (participates in β ladder)trans-102.5136.9172.1-53178.7000108.7V388 K389 V390 I413 N449 I450 L452 I463 W476V388-L465 HydrophobicContact CG1-CB 4.03Å; V388-L465 HydrophobicContact CG1-CD2 4.43Å; K389-L465 CarbonylContact O-C 3.55Å; K389-L465 WeakPolarHBondContact O-CA 3.34Å; V390-L465 HydrophobicContact CB-CD2 4.41Å; V390-L465 HydrophobicContact CG1-CD2 4.14Å; V390-L465 HydrophobicContact CG2-CD2 3.79Å; I413-L465 HydrophobicContact CD1-CD1 3.78Å; N449-L465 CarbonylContact C-O 3.54Å; N449-L465 VanDerWaalsContact CA-O 3.26Å; N449-L465 WeakPolarHBondContact CA-O 3.26Å; I450-L465 HydrophobicContact CB-CB 4.28Å; I450-L465 PolarHBondContact N-O 2.95Å; I450-L465 PolarHBondContact O-N 2.81Å; L452-L465 HydrophobicContact CD1-CD1 3.73Å; L452-L465 HydrophobicContact CD1-CG 4.06Å; I463-L465 HydrophobicContact CG2-CD2 4.31Å; L465-W476 HydrophobicContact CD1-CE3 4.35Å
466R93.1Very high88.1Confident82 Ų8257.5 Ų57.531%0.30931%0.31SS..EExtended strand (participates in β ladder)trans-122.8119.4173.6177.1171.2-174.8171.45.3109.5V388 K389 Y401 F448 N449V388-R466 WeakPolarHBondContact CG1-O 3.19Å; K389-R466 HydrophobicContact CB-CB 3.99Å; K389-R466 PolarHBondContact N-O 3.39Å; K389-R466 VanDerWaalsContact N-O 3.09Å; K389-R466 PolarHBondContact O-N 3.4Å; Y401-R466 HydrophobicContact CD1-CB 4.05Å; Y401-R466 HydrophobicContact CE1-CB 3.7Å; F448-R466 WeakPolarHBondContact O-CA 3.35Å; N449-R466 VanDerWaalsContact OD1-CB 3.24Å; N449-R466 WeakPolarHBondContact OD1-CB 3.48Å; N449-R466 WeakPolarHBondContact OD1-CD 3.3Å; N449-R466 WeakPolarHBondContact OD1-CG 3.44Å
467C93.9Very high88.8Confident1 Ų154 Ų541%0.00729%0.288CS..EExtended strand (participates in β ladder)trans-91.4156.5175.9-56.50000110F448 Q472F448-C467 HydrophobicContact CB-CB 4.12Å; F448-C467 PolarHBondContact O-N 2.92Å; C467-Q472 HydrophobicContact CB-CB 4.4Å; C467-Q472 HydrophobicContact CB-CG 4.2Å
468D89.4Confident89.7Confident73 Ų7348.7 Ų48.739%0.3925%0.245SC..SBendtrans-96.3-26.6-178.3-68.7-32.3000112.4K389K389-D468 IonicContact NZ-OD1 2.69Å; K389-D468 PolarHBondContact NZ-OD1 2.85Å; K389-D468 IonicContact NZ-OD2 2.76Å
469T91.1Very high90.8Very high74 Ų7440.7 Ų40.745%0.45420%0.202SC..SBendtrans-128.7157.4-179.769.90000112.7K471 Q472 Y473T469-K471 VanDerWaalsContact C-N 3.31Å; T469-K471 PolarHBondContact O-N 3.01Å; T469-Q472 PolarHBondContact O-N 3.37Å; T469-Q472 WeakPolarHBondContact OG1-CB 3.47Å; T469-Q472 PolarHBondContact OG1-N 3.29Å; T469-Q472 VanDerWaalsContact OG1-N 3.08Å; T469-Y473 WeakPolarHBondContact O-CB 3.48Å; T469-Y473 PolarHBondContact O-N 3.47Å
470E88.8Confident91.7Very high50 Ų5038.8 Ų38.823%0.23418%0.182CC..Hα-helixtrans-59-41.6174.4-72.7169.2-151.900112.7F448 Y473 A474 L505 H509F448-E470 HydrophobicContact CD1-CG 4.45Å; F448-E470 HydrophobicContact CE1-CG 3.5Å; F448-E470 VanDerWaalsContact CE1-CG 3.5Å; F448-E470 HydrophobicContact CE2-CG 4.28Å; F448-E470 HydrophobicContact CZ-CG 3.4Å; E470-Y473 PolarHBondContact O-N 2.92Å; E470-A474 WeakPolarHBondContact O-CB 3.25Å; E470-A474 PolarHBondContact O-N 2.99Å; E470-L505 HydrophobicContact CB-CD1 3.9Å; E470-L505 HydrophobicContact CG-CD1 4.16Å; E470-H509 IonicContact OE1-CD2 3.6Å; E470-H509 IonicContact OE1-CE1 3.08Å; E470-H509 IonicContact OE1-NE2 3.95Å; E470-H509 PolarHBondContact OE1-NE2 3.17Å; E470-H509 IonicContact OE2-CD2 3.35Å; E470-H509 IonicContact OE2-NE2 2.94Å; E470-H509 PolarHBondContact OE2-NE2 3.45Å
471K91.9Very high92.3Very high149 Ų14937.1 Ų37.165%0.64817%0.17SC*.Hα-helixtrans-63.2-48.5176.8-69.2-174.4-179.1-179.10110.7T469 Y473 A474 H475 L502T469-K471 VanDerWaalsContact C-N 3.31Å; T469-K471 PolarHBondContact O-N 3.01Å; K471-Y473 PolarHBondContact O-N 3.28Å; K471-A474 PolarHBondContact O-N 2.74Å; K471-H475 PolarHBondContact O-N 3.25Å; K471-H475 PolarHBondContact O-ND1 3.45Å; K471-L502 HydrophobicContact CG-CD2 4.17Å
472Q94Very high92.7Very high25 Ų2536 Ų3612%0.11716%0.163CC..Hα-helixtrans-59.5-48.7176.8-172.8-17433.900110.6Y387 C467 T469 A474 H475 W476Y387-Q472 PolarHBondContact O-NE2 3.18Å; C467-Q472 HydrophobicContact CB-CB 4.4Å; C467-Q472 HydrophobicContact CB-CG 4.2Å; T469-Q472 PolarHBondContact O-N 3.37Å; T469-Q472 WeakPolarHBondContact OG1-CB 3.47Å; T469-Q472 PolarHBondContact OG1-N 3.29Å; T469-Q472 VanDerWaalsContact OG1-N 3.08Å; Q472-A474 VanDerWaalsContact C-N 3.33Å; Q472-A474 PolarHBondContact O-N 3.32Å; Q472-H475 PolarHBondContact O-N 2.89Å; Q472-W476 PolarHBondContact O-N 2.78Å
473Y94.8Very high92.8Very high9 Ų933.5 Ų33.54%0.03515%0.152CC..Hα-helixtrans-56.2-44.3177.1170.7-95.3000112.7P439 V441 F448 I450 T469 E470 K471 H475 W476 M477 I501 L505P439-Y473 WeakPolarHBondContact CB-OH 3.34Å; V441-Y473 HydrophobicContact CG2-CD1 4.48Å; V441-Y473 HydrophobicContact CG2-CD2 4.29Å; V441-Y473 HydrophobicContact CG2-CE1 3.74Å; V441-Y473 HydrophobicContact CG2-CE2 3.5Å; V441-Y473 WeakPolarHBondContact CG2-OH 3.28Å; F448-Y473 HydrophobicContact CB-CD2 3.84Å; F448-Y473 HydrophobicContact CB-CG 3.96Å; F448-Y473 HydrophobicContact CD1-CG 4.28Å; F448-Y473 HydrophobicContact CG-CG 4.48Å; I450-Y473 HydrophobicContact CD1-CD2 4.16Å; I450-Y473 HydrophobicContact CD1-CE2 4.26Å; I450-Y473 HydrophobicContact CG1-CD2 3.87Å; I450-Y473 HydrophobicContact CG1-CE2 3.59Å; T469-Y473 WeakPolarHBondContact O-CB 3.48Å; T469-Y473 PolarHBondContact O-N 3.47Å; E470-Y473 PolarHBondContact O-N 2.92Å; K471-Y473 PolarHBondContact O-N 3.28Å; Y473-H475 PolarHBondContact O-N 3.37Å; Y473-W476 PolarHBondContact O-N 3.28Å; Y473-M477 HydrophobicContact CE1-CB 4.31Å; Y473-M477 HydrophobicContact CE1-CG 4.47Å; Y473-M477 HydrophobicContact CE2-CB 4.24Å; Y473-M477 HydrophobicContact CE2-CG 4.49Å; Y473-M477 WeakPolarHBondContact O-CB 3.38Å; Y473-M477 PolarHBondContact O-N 2.8Å; Y473-M477 WeakPolarHBondContact OH-CE 3.32Å; Y473-I501 HydrophobicContact CD1-CG2 4.23Å; Y473-I501 HydrophobicContact CE1-CG2 3.92Å; Y473-L505 HydrophobicContact CD1-CD1 3.93Å; Y473-L505 HydrophobicContact CE1-CD1 4.38Å
474A93.6Very high92.9Very high0 Ų034.2 Ų34.20%016%0.158CC..Hα-helixtrans-61.3-44.6-179.400000112.6E470 K471 Q472 A478 V498 I501 L502E470-A474 WeakPolarHBondContact O-CB 3.25Å; E470-A474 PolarHBondContact O-N 2.99Å; K471-A474 PolarHBondContact O-N 2.74Å; Q472-A474 VanDerWaalsContact C-N 3.33Å; Q472-A474 PolarHBondContact O-N 3.32Å; A474-A478 VanDerWaalsContact O-CB 3.28Å; A474-A478 WeakPolarHBondContact O-CB 3.16Å; A474-A478 PolarHBondContact O-N 3.22Å; A474-V498 HydrophobicContact CB-CG1 4.36Å; A474-I501 HydrophobicContact CB-CB 4.09Å; A474-I501 HydrophobicContact CB-CG2 3.75Å; A474-L502 HydrophobicContact CB-CD2 3.76Å; A474-L502 HydrophobicContact CB-CG 3.71Å
475H94.4Very high92.8Very high63 Ų6338.4 Ų38.429%0.29218%0.178SC..Hα-helixtrans-65.7-48.5177.8-68.778.4000111.5L384 K471 Q472 Y473 M477 A478 A479L384-H475 HydrophobicContact CD1-CB 4.28Å; L384-H475 HydrophobicContact CD2-CB 4.26Å; K471-H475 PolarHBondContact O-N 3.25Å; K471-H475 PolarHBondContact O-ND1 3.45Å; Q472-H475 PolarHBondContact O-N 2.89Å; Y473-H475 PolarHBondContact O-N 3.37Å; H475-M477 PolarHBondContact O-N 2.85Å; H475-A478 PolarHBondContact O-N 3.3Å; H475-A479 WeakPolarHBondContact O-CB 3.37Å; H475-A479 PolarHBondContact O-N 2.75Å
476W95.6Very high92.4Very high0 Ų039.6 Ų39.60%019%0.19CC..Hα-helixtrans-66.3-38.4-179-79.677.7000112.6D386 V388 C406 F408 I413 I450 L465 Q472 Y473 C480D386-W476 HydrophobicContact CB-CZ2 4.05Å; D386-W476 PolarHBondContact OD2-NE1 2.82Å; V388-W476 HydrophobicContact CG2-CD2 4.09Å; V388-W476 HydrophobicContact CG2-CE3 4.38Å; V388-W476 HydrophobicContact CG2-CH2 4.03Å; V388-W476 HydrophobicContact CG2-CZ2 3.66Å; V388-W476 HydrophobicContact CG2-CZ3 4.35Å; C406-W476 HydrophobicContact CB-CH2 3.38Å; C406-W476 HydrophobicContact CB-CZ2 4.16Å; C406-W476 HydrophobicContact CB-CZ3 4.05Å; C406-W476 WeakPolarHBondContact O-CH2 3.24Å; F408-W476 HydrophobicContact CB-CH2 4.46Å; F408-W476 HydrophobicContact CB-CZ3 4.44Å; F408-W476 HydrophobicContact CD2-CZ3 4.4Å; I413-W476 HydrophobicContact CD1-CZ3 4.29Å; I413-W476 HydrophobicContact CG2-CZ3 4.34Å; I450-W476 HydrophobicContact CD1-CB 3.95Å; L465-W476 HydrophobicContact CD1-CE3 4.35Å; Q472-W476 PolarHBondContact O-N 2.78Å; Y473-W476 PolarHBondContact O-N 3.28Å; W476-C480 WeakPolarHBondContact O-CB 3.38Å; W476-C480 PolarHBondContact O-N 3.37Å; W476-C480 PolarHBondContact O-SG 3.43Å
477M95.5Very high92.1Very high0 Ų040.1 Ų40.10%020%0.195CC..Hα-helixtrans-69.3-44.4177.7-179.253.5127.300111.9V437 P439 I450 Y473 H475 A479 C480 R481 I501V437-M477 HydrophobicContact CG1-CE 4.24Å; V437-M477 HydrophobicContact CG1-SD 3.58Å; V437-M477 VanDerWaalsContact CG1-SD 3.58Å; P439-M477 VanDerWaalsContact CA-CE 3.47Å; P439-M477 HydrophobicContact CB-CE 3.42Å; P439-M477 VanDerWaalsContact CB-CE 3.42Å; P439-M477 HydrophobicContact CG-CE 4.07Å; I450-M477 HydrophobicContact CD1-CB 3.97Å; I450-M477 HydrophobicContact CG1-CB 4.42Å; I450-M477 HydrophobicContact CG1-SD 4.28Å; I450-M477 HydrophobicContact CG2-CE 4.47Å; I450-M477 HydrophobicContact CG2-SD 4.01Å; Y473-M477 HydrophobicContact CE1-CB 4.31Å; Y473-M477 HydrophobicContact CE1-CG 4.47Å; Y473-M477 HydrophobicContact CE2-CB 4.24Å; Y473-M477 HydrophobicContact CE2-CG 4.49Å; Y473-M477 WeakPolarHBondContact O-CB 3.38Å; Y473-M477 PolarHBondContact O-N 2.8Å; Y473-M477 WeakPolarHBondContact OH-CE 3.32Å; H475-M477 PolarHBondContact O-N 2.85Å; M477-A479 VanDerWaalsContact C-N 3.33Å; M477-A479 PolarHBondContact O-N 2.77Å; M477-C480 PolarHBondContact O-N 3.2Å; M477-R481 WeakPolarHBondContact O-CB 3.14Å; M477-R481 WeakPolarHBondContact O-CG 3.45Å; M477-R481 PolarHBondContact O-N 3.42Å; M477-R481 HydrophobicContact SD-CG 4.15Å; M477-I501 HydrophobicContact CB-CD1 4.12Å; M477-I501 HydrophobicContact CG-CD1 3.96Å
478A94.6Very high91.8Very high0 Ų042.4 Ų42.40%021%0.209CC..Hα-helixtrans-58.9-45.8174.600000111.3A474 H475 C480 R481 L482 Y494 E497 V498 I501A474-A478 VanDerWaalsContact O-CB 3.28Å; A474-A478 WeakPolarHBondContact O-CB 3.16Å; A474-A478 PolarHBondContact O-N 3.22Å; H475-A478 PolarHBondContact O-N 3.3Å; A478-C480 PolarHBondContact O-N 2.79Å; A478-R481 PolarHBondContact O-N 2.83Å; A478-L482 PolarHBondContact O-N 3.39Å; A478-Y494 HydrophobicContact CB-CD2 4.05Å; A478-Y494 HydrophobicContact CB-CE2 3.83Å; A478-E497 HydrophobicContact CB-CB 4.07Å; A478-E497 HydrophobicContact CB-CG 3.73Å; A478-V498 HydrophobicContact CB-CG2 3.56Å; A478-I501 HydrophobicContact CB-CD1 3.97Å
479A94.1Very high91.8Very high1 Ų139.5 Ų39.51%0.00819%0.193CC..Hα-helixtrans-60.6-46.5177.800000112L384 F408 H475 M477 R481 L482 A483 M489 Y494L384-A479 HydrophobicContact CD1-CB 3.84Å; F408-A479 HydrophobicContact CD1-CB 4.21Å; F408-A479 HydrophobicContact CD2-CB 4.03Å; F408-A479 HydrophobicContact CE1-CB 3.97Å; F408-A479 HydrophobicContact CE2-CB 3.79Å; F408-A479 HydrophobicContact CG-CB 4.26Å; F408-A479 HydrophobicContact CZ-CB 3.75Å; F408-A479 WeakPolarHBondContact CZ-O 3.42Å; H475-A479 WeakPolarHBondContact O-CB 3.37Å; H475-A479 PolarHBondContact O-N 2.75Å; M477-A479 VanDerWaalsContact C-N 3.33Å; M477-A479 PolarHBondContact O-N 2.77Å; A479-R481 PolarHBondContact O-N 3.37Å; A479-L482 PolarHBondContact O-N 2.97Å; A479-A483 WeakPolarHBondContact O-CB 3.4Å; A479-A483 PolarHBondContact O-N 3.11Å; A479-M489 HydrophobicContact CB-CG 3.97Å; A479-M489 HydrophobicContact CB-SD 3.65Å; A479-Y494 HydrophobicContact CB-CE2 4.12Å
480C93.9Very high91.5Very high0 Ų039.5 Ų39.50%020%0.2CC..Hα-helixtrans-62.3-41.6177.4-67.50000112.4L432 V437 L452 W476 M477 A478 A483 S484L432-C480 HydrophobicContact CD1-CB 4.36Å; V437-C480 HydrophobicContact CG1-CB 3.93Å; V437-C480 HydrophobicContact CG2-CB 4.2Å; L452-C480 HydrophobicContact CD2-CB 4.17Å; W476-C480 WeakPolarHBondContact O-CB 3.38Å; W476-C480 PolarHBondContact O-N 3.37Å; W476-C480 PolarHBondContact O-SG 3.43Å; M477-C480 PolarHBondContact O-N 3.2Å; A478-C480 PolarHBondContact O-N 2.79Å; C480-A483 PolarHBondContact O-N 2.72Å; C480-S484 PolarHBondContact O-N 3.48Å
481R92.5Very high91.3Very high81 Ų8139.1 Ų39.131%0.30620%0.2SC..Hα-helixtrans-66.1-33.3178.4-77.9179.6174.9179.31.1113.7V437 M477 A478 A479 S484 E497V437-R481 HydrophobicContact CG1-CG 4.36Å; M477-R481 WeakPolarHBondContact O-CB 3.14Å; M477-R481 WeakPolarHBondContact O-CG 3.45Å; M477-R481 PolarHBondContact O-N 3.42Å; M477-R481 HydrophobicContact SD-CG 4.15Å; A478-R481 PolarHBondContact O-N 2.83Å; A479-R481 PolarHBondContact O-N 3.37Å; R481-S484 PolarHBondContact O-OG 2.72Å; R481-E497 VanDerWaalsContact CD-OE1 3.24Å; R481-E497 WeakPolarHBondContact CD-OE1 3.36Å; R481-E497 IonicContact CZ-OE1 2.94Å; R481-E497 IonicContact NE-OE1 3.68Å; R481-E497 IonicContact NH1-OE1 3.94Å; R481-E497 PolarHBondContact NH1-OE1 2.9Å
482L91.3Very high90.7Very high12 Ų1237.5 Ų37.56%0.06321%0.207CC..Hα-helixtrans-75.2-44.7174.4-72.8-177.4000111.2A478 A479 S484 K485 G486 K487 Y494A478-L482 PolarHBondContact O-N 3.39Å; A479-L482 PolarHBondContact O-N 2.97Å; L482-S484 VanDerWaalsContact C-N 3.3Å; L482-S484 PolarHBondContact O-N 3.04Å; L482-K485 CarbonylContact O-C 3.54Å; L482-K485 WeakPolarHBondContact O-CA 3.24Å; L482-K485 PolarHBondContact O-N 3.44Å; L482-G486 PolarHBondContact O-N 3.38Å; L482-K487 CarbonylContact C-O 3.58Å; L482-K487 VanDerWaalsContact C-O 3.24Å; L482-K487 HydrophobicContact CB-CB 4.14Å; L482-K487 HydrophobicContact CD2-CB 4.34Å; L482-K487 HydrophobicContact CD2-CD 4.22Å; L482-K487 PolarHBondContact O-N 3.36Å; L482-Y494 HydrophobicContact CD1-CD2 3.91Å; L482-Y494 HydrophobicContact CD1-CG 4.26Å
483A91.7Very high90.3Very high0 Ų038.1 Ų38.10%021%0.214CC..Hα-helixtrans-65.3-31.5-179.400000113.3F408 I411 L432 A479 C480 K485 G486 K487F408-A483 HydrophobicContact CE1-CB 4.27Å; F408-A483 HydrophobicContact CZ-CB 3.63Å; I411-A483 HydrophobicContact CB-CB 3.92Å; I411-A483 HydrophobicContact CG2-CB 3.98Å; L432-A483 HydrophobicContact CB-CB 3.85Å; L432-A483 HydrophobicContact CD1-CB 4.09Å; A479-A483 WeakPolarHBondContact O-CB 3.4Å; A479-A483 PolarHBondContact O-N 3.11Å; C480-A483 PolarHBondContact O-N 2.72Å; A483-K485 PolarHBondContact O-N 2.93Å; A483-G486 WeakPolarHBondContact O-CA 3.41Å; A483-G486 PolarHBondContact O-N 3.34Å; A483-K487 WeakPolarHBondContact CA-O 2.93Å; A483-K487 PolarHBondContact N-O 3.2Å
484S91.8Very high90Very high24 Ų2438.6 Ų38.617%0.16822%0.216CC..Hα-helixtrans-59.6-34.717266.90000113.2L432 G434 C435 C480 R481 L482 G486L432-S484 VanDerWaalsContact O-CA 3.3Å; L432-S484 WeakPolarHBondContact O-CA 3.45Å; G434-S484 PolarHBondContact N-O 3.35Å; C435-S484 WeakPolarHBondContact O-CB 3.28Å; C480-S484 PolarHBondContact O-N 3.48Å; R481-S484 PolarHBondContact O-OG 2.72Å; L482-S484 VanDerWaalsContact C-N 3.3Å; L482-S484 PolarHBondContact O-N 3.04Å; S484-G486 VanDerWaalsContact C-N 3.27Å; S484-G486 PolarHBondContact O-N 2.82Å
485K89.4Confident89.6Confident162 Ų16243.9 Ų43.970%0.70425%0.245SC*.THydrogen-bonded Turntrans-85.13.6174.6-60.1174.5-175.71730113.1L482 A483 K487L482-K485 CarbonylContact O-C 3.54Å; L482-K485 WeakPolarHBondContact O-CA 3.24Å; L482-K485 PolarHBondContact O-N 3.44Å; A483-K485 PolarHBondContact O-N 2.93Å; K485-K487 VanDerWaalsContact C-N 3.33Å
486G85.3Confident89.2Confident25 Ų2546 Ų4626%0.25826%0.258SS..THydrogen-bonded Turntrans75.915.3-177.900000114.9L482 A483 S484L482-G486 PolarHBondContact O-N 3.38Å; A483-G486 WeakPolarHBondContact O-CA 3.41Å; A483-G486 PolarHBondContact O-N 3.34Å; S484-G486 VanDerWaalsContact C-N 3.27Å; S484-G486 PolarHBondContact O-N 2.82Å
487K86.6Confident88.8Confident93 Ų9348.5 Ų48.540%0.40427%0.269SS..  trans-97.1153.1176.6-64-176.8163.8-1440111.1L482 A483 K485 D491L482-K487 CarbonylContact C-O 3.58Å; L482-K487 VanDerWaalsContact C-O 3.24Å; L482-K487 HydrophobicContact CB-CB 4.14Å; L482-K487 HydrophobicContact CD2-CB 4.34Å; L482-K487 HydrophobicContact CD2-CD 4.22Å; L482-K487 PolarHBondContact O-N 3.36Å; A483-K487 WeakPolarHBondContact CA-O 2.93Å; A483-K487 PolarHBondContact N-O 3.2Å; K485-K487 VanDerWaalsContact C-N 3.33Å; K487-D491 WeakPolarHBondContact CD-OD2 3.45Å; K487-D491 IonicContact NZ-OD2 2.84Å; K487-D491 PolarHBondContact NZ-OD2 3.09Å; K487-D491 VanDerWaalsContact NZ-OD2 3.09Å
488T88.8Confident88.5Confident49 Ų4948.6 Ų48.630%0.30127%0.27SS..  trans-102.8170.1-179.467.90000111.3D410 I411 A490 D491D410-T488 HydrophobicContact CB-CG2 4.4Å; I411-T488 HydrophobicContact CG2-CG2 4.38Å; T488-A490 PolarHBondContact O-N 3.23Å; T488-A490 PolarHBondContact OG1-N 2.69Å; T488-D491 WeakPolarHBondContact O-CB 3.34Å; T488-D491 PolarHBondContact O-N 3.1Å; T488-D491 VanDerWaalsContact O-N 3.15Å
489M88.8Confident88Confident13 Ų1354.2 Ų54.26%0.06430%0.296CS..THydrogen-bonded Turntrans-69-8.2174.5-62.6-178-62.800113.8P382 L384 F408 A479 D491 Y494P382-M489 HydrophobicContact CB-CB 4.44Å; P382-M489 HydrophobicContact CG-CB 4.21Å; P382-M489 VanDerWaalsContact O-CE 3.24Å; P382-M489 WeakPolarHBondContact O-CE 3.48Å; L384-M489 HydrophobicContact CD1-CE 4.43Å; L384-M489 HydrophobicContact CD1-SD 3.43Å; L384-M489 WeakPolarHBondContact CD1-SD 3.38Å; L384-M489 HydrophobicContact CG-CE 4.02Å; L384-M489 HydrophobicContact CG-SD 3.54Å; L384-M489 VanDerWaalsContact CG-SD 3.54Å; F408-M489 HydrophobicContact CB-CE 4.47Å; F408-M489 HydrophobicContact CD1-CE 3.73Å; F408-M489 HydrophobicContact CD1-SD 4Å; F408-M489 HydrophobicContact CE1-CE 4.49Å; F408-M489 HydrophobicContact CE1-CG 4.49Å; F408-M489 HydrophobicContact CE1-SD 4.44Å; F408-M489 HydrophobicContact CG-CE 4.46Å; F408-M489 WeakPolarHBondContact O-CE 3.4Å; A479-M489 HydrophobicContact CB-CG 3.97Å; A479-M489 HydrophobicContact CB-SD 3.65Å; M489-D491 VanDerWaalsContact C-N 3.27Å; M489-Y494 HydrophobicContact CB-CD1 4.18Å; M489-Y494 HydrophobicContact CB-CD2 4.24Å; M489-Y494 HydrophobicContact CB-CE1 4.36Å; M489-Y494 HydrophobicContact CB-CE2 4.41Å; M489-Y494 HydrophobicContact CB-CG 4.12Å; M489-Y494 HydrophobicContact CG-CD2 3.99Å; M489-Y494 HydrophobicContact CG-CE2 3.88Å; M489-Y494 HydrophobicContact CG-CG 4.38Å; M489-Y494 HydrophobicContact SD-CE2 4.12Å
490A84.3Confident87.5Confident73 Ų7358 Ų5860%0.60332%0.316SS*.THydrogen-bonded Turntrans-80.2-8.8172.300000112.8P382 T488P382-A490 HydrophobicContact CG-CB 3.95Å; T488-A490 PolarHBondContact O-N 3.23Å; T488-A490 PolarHBondContact OG1-N 2.69Å
491D84.2Confident87.3Confident43 Ų4358.5 Ų58.523%0.2332%0.319CS..SBendtrans-66.8137173.7-173.1-66.1000109.9K487 T488 M489 S493 Y494K487-D491 WeakPolarHBondContact CD-OD2 3.45Å; K487-D491 IonicContact NZ-OD2 2.84Å; K487-D491 PolarHBondContact NZ-OD2 3.09Å; K487-D491 VanDerWaalsContact NZ-OD2 3.09Å; T488-D491 WeakPolarHBondContact O-CB 3.34Å; T488-D491 PolarHBondContact O-N 3.1Å; T488-D491 VanDerWaalsContact O-N 3.15Å; M489-D491 VanDerWaalsContact C-N 3.27Å; D491-S493 PolarHBondContact O-N 3.3Å; D491-S493 VanDerWaalsContact OD1-CB 3.24Å; D491-S493 WeakPolarHBondContact OD1-CB 3.37Å; D491-S493 PolarHBondContact OD1-N 2.96Å; D491-S493 PolarHBondContact OD1-OG 3.17Å; D491-Y494 WeakPolarHBondContact O-CB 3.42Å; D491-Y494 PolarHBondContact O-N 2.9Å
492S80.3Confident87.1Confident115 Ų11555.6 Ų55.680%0.80431%0.309SS*.THydrogen-bonded Turntrans-58.9-21.7-177.554.60000113.3Y494S492-Y494 VanDerWaalsContact C-N 3.33Å; S492-Y494 PolarHBondContact O-N 3.45Å
493S84.5Confident86.6Confident37 Ų3757.4 Ų57.426%0.25932%0.323SS..Hα-helixtrans-75-14.4176.464.80000114.6D491 L496 E497D491-S493 PolarHBondContact O-N 3.3Å; D491-S493 VanDerWaalsContact OD1-CB 3.24Å; D491-S493 WeakPolarHBondContact OD1-CB 3.37Å; D491-S493 PolarHBondContact OD1-N 2.96Å; D491-S493 PolarHBondContact OD1-OG 3.17Å; S493-L496 PolarHBondContact O-N 3.35Å; S493-E497 WeakPolarHBondContact O-CB 3.3Å; S493-E497 PolarHBondContact O-N 2.99Å
494Y88.3Confident85.9Confident19 Ų1962.9 Ų62.98%0.07535%0.347CS..Hα-helixtrans-60.8-52-176.8174.1-111.2000112.6A478 A479 L482 M489 D491 S492 L496 E497 V498A478-Y494 HydrophobicContact CB-CD2 4.05Å; A478-Y494 HydrophobicContact CB-CE2 3.83Å; A479-Y494 HydrophobicContact CB-CE2 4.12Å; L482-Y494 HydrophobicContact CD1-CD2 3.91Å; L482-Y494 HydrophobicContact CD1-CG 4.26Å; M489-Y494 HydrophobicContact CB-CD1 4.18Å; M489-Y494 HydrophobicContact CB-CD2 4.24Å; M489-Y494 HydrophobicContact CB-CE1 4.36Å; M489-Y494 HydrophobicContact CB-CE2 4.41Å; M489-Y494 HydrophobicContact CB-CG 4.12Å; M489-Y494 HydrophobicContact CG-CD2 3.99Å; M489-Y494 HydrophobicContact CG-CE2 3.88Å; M489-Y494 HydrophobicContact CG-CG 4.38Å; M489-Y494 HydrophobicContact SD-CE2 4.12Å; D491-Y494 WeakPolarHBondContact O-CB 3.42Å; D491-Y494 PolarHBondContact O-N 2.9Å; S492-Y494 VanDerWaalsContact C-N 3.33Å; S492-Y494 PolarHBondContact O-N 3.45Å; Y494-L496 VanDerWaalsContact C-N 3.28Å; Y494-L496 PolarHBondContact O-N 3.36Å; Y494-E497 PolarHBondContact O-N 3.49Å; Y494-V498 HydrophobicContact CD2-CG2 4.29Å; Y494-V498 HydrophobicContact CE1-CG2 4.25Å; Y494-V498 HydrophobicContact CE2-CG2 3.84Å; Y494-V498 WeakPolarHBondContact O-CG2 3.22Å; Y494-V498 PolarHBondContact O-N 3.04Å
495N86.1Confident85.4Confident112 Ų11261.8 Ų61.860%0.59934%0.339SS*.Hα-helixtrans-63.7-36.1-179.9-71.1-47.2000111.9V498 Q499N495-V498 PolarHBondContact O-N 3.15Å; N495-Q499 WeakPolarHBondContact O-CG 3.2Å; N495-Q499 PolarHBondContact O-N 3.18Å
496L85.4Confident84.9Confident108 Ų10860.5 Ų60.557%0.56533%0.333SS*.Hα-helixtrans-65.6-43.7176.2-175.562.2000111.4S493 Y494 V498 Q499 N500S493-L496 PolarHBondContact O-N 3.35Å; Y494-L496 VanDerWaalsContact C-N 3.28Å; Y494-L496 PolarHBondContact O-N 3.36Å; L496-V498 PolarHBondContact O-N 3.13Å; L496-Q499 PolarHBondContact O-N 3.43Å; L496-N500 WeakPolarHBondContact O-CB 3.49Å; L496-N500 PolarHBondContact O-N 3.15Å; L496-N500 PolarHBondContact O-ND2 3.22Å
497E87.1Confident83.8Confident51 Ų5166.2 Ų66.224%0.23836%0.355CS..Hα-helixtrans-62.8-40.9176.2-17370.9-174.500111.6A478 R481 S493 Y494 N500 I501A478-E497 HydrophobicContact CB-CB 4.07Å; A478-E497 HydrophobicContact CB-CG 3.73Å; R481-E497 VanDerWaalsContact CD-OE1 3.24Å; R481-E497 WeakPolarHBondContact CD-OE1 3.36Å; R481-E497 IonicContact CZ-OE1 2.94Å; R481-E497 IonicContact NE-OE1 3.68Å; R481-E497 IonicContact NH1-OE1 3.94Å; R481-E497 PolarHBondContact NH1-OE1 2.9Å; S493-E497 WeakPolarHBondContact O-CB 3.3Å; S493-E497 PolarHBondContact O-N 2.99Å; Y494-E497 PolarHBondContact O-N 3.49Å; E497-N500 PolarHBondContact O-N 2.55Å; E497-I501 HydrophobicContact CG-CD1 4.09Å; E497-I501 VanDerWaalsContact O-CG1 3.27Å; E497-I501 WeakPolarHBondContact O-CG1 3.22Å; E497-I501 PolarHBondContact O-N 3.33Å
498V88.8Confident82.6Confident3 Ų366.4 Ų66.42%0.01836%0.358CS..Hα-helixtrans-61-45.9174.5173.70000111.1A474 A478 Y494 N495 L496 I501 L502A474-V498 HydrophobicContact CB-CG1 4.36Å; A478-V498 HydrophobicContact CB-CG2 3.56Å; Y494-V498 HydrophobicContact CD2-CG2 4.29Å; Y494-V498 HydrophobicContact CE1-CG2 4.25Å; Y494-V498 HydrophobicContact CE2-CG2 3.84Å; Y494-V498 WeakPolarHBondContact O-CG2 3.22Å; Y494-V498 PolarHBondContact O-N 3.04Å; N495-V498 PolarHBondContact O-N 3.15Å; L496-V498 PolarHBondContact O-N 3.13Å; V498-I501 PolarHBondContact O-N 3.35Å; V498-L502 HydrophobicContact CG1-CD1 4Å; V498-L502 WeakPolarHBondContact O-CB 3.44Å; V498-L502 WeakPolarHBondContact O-CG 3.28Å; V498-L502 PolarHBondContact O-N 3.12Å
499Q85.6Confident81Confident117 Ų11768.7 Ų68.755%0.54737%0.365SS..Hα-helixtrans-64.6-40177.6-68.6-57.9-26.900112.1N495 L496 I501 L502 S503N495-Q499 WeakPolarHBondContact O-CG 3.2Å; N495-Q499 PolarHBondContact O-N 3.18Å; L496-Q499 PolarHBondContact O-N 3.43Å; Q499-I501 VanDerWaalsContact C-N 3.35Å; Q499-I501 PolarHBondContact O-N 3.03Å; Q499-L502 PolarHBondContact O-N 2.99Å; Q499-S503 WeakPolarHBondContact O-CB 3.44Å; Q499-S503 PolarHBondContact O-N 2.65Å; Q499-S503 PolarHBondContact O-OG 3.43Å; Q499-S503 VanDerWaalsContact O-OG 3.13Å
500N83.9Confident78.5Confident80 Ų8075.2 Ų75.243%0.42840%0.397SS..Hα-helixtrans-62.7-39.6175.8-70.3-19.6000112.3L496 E497 S503 F504L496-N500 WeakPolarHBondContact O-CB 3.49Å; L496-N500 PolarHBondContact O-N 3.15Å; L496-N500 PolarHBondContact O-ND2 3.22Å; E497-N500 PolarHBondContact O-N 2.55Å; N500-S503 WeakPolarHBondContact CA-OG 3.5Å; N500-S503 PolarHBondContact O-OG 2.94Å; N500-F504 VanDerWaalsContact O-CB 3.31Å; N500-F504 WeakPolarHBondContact O-CB 3.44Å; N500-F504 PolarHBondContact O-N 2.9Å; N500-F504 VanDerWaalsContact O-N 3.09Å
501I88.3Confident76.4Confident11 Ų1177.7 Ų77.76%0.05640%0.4CS..Hα-helixtrans-70-40.9176.3-64.1164.1000110.5Y473 A474 M477 A478 E497 V498 Q499 F504 L505Y473-I501 HydrophobicContact CD1-CG2 4.23Å; Y473-I501 HydrophobicContact CE1-CG2 3.92Å; A474-I501 HydrophobicContact CB-CB 4.09Å; A474-I501 HydrophobicContact CB-CG2 3.75Å; M477-I501 HydrophobicContact CB-CD1 4.12Å; M477-I501 HydrophobicContact CG-CD1 3.96Å; A478-I501 HydrophobicContact CB-CD1 3.97Å; E497-I501 HydrophobicContact CG-CD1 4.09Å; E497-I501 VanDerWaalsContact O-CG1 3.27Å; E497-I501 WeakPolarHBondContact O-CG1 3.22Å; E497-I501 PolarHBondContact O-N 3.33Å; V498-I501 PolarHBondContact O-N 3.35Å; Q499-I501 VanDerWaalsContact C-N 3.35Å; Q499-I501 PolarHBondContact O-N 3.03Å; I501-F504 PolarHBondContact O-N 2.76Å; I501-L505 HydrophobicContact CG2-CD1 4.11Å; I501-L505 VanDerWaalsContact O-CG 3.28Å; I501-L505 WeakPolarHBondContact O-CG 3.43Å; I501-L505 PolarHBondContact O-N 2.95Å
502L87.8Confident74.4Confident21 Ų2180.6 Ų80.611%0.1142%0.421CS..Hα-helixtrans-66-40.5177.1-75.6173.1000112.9K471 A474 V498 Q499 F504 L505 K506K471-L502 HydrophobicContact CG-CD2 4.17Å; A474-L502 HydrophobicContact CB-CD2 3.76Å; A474-L502 HydrophobicContact CB-CG 3.71Å; V498-L502 HydrophobicContact CG1-CD1 4Å; V498-L502 WeakPolarHBondContact O-CB 3.44Å; V498-L502 WeakPolarHBondContact O-CG 3.28Å; V498-L502 PolarHBondContact O-N 3.12Å; Q499-L502 PolarHBondContact O-N 2.99Å; L502-F504 VanDerWaalsContact C-N 3.35Å; L502-L505 PolarHBondContact O-N 3.4Å; L502-K506 WeakPolarHBondContact O-CG 3.44Å; L502-K506 PolarHBondContact O-N 2.91Å
503S81.1Confident72.1Confident50 Ų5082 Ų8235%0.3542%0.42SS..Hα-helixtrans-65.4-40.9176.261.20000110.9Q499 N500 L505 K506 M507Q499-S503 WeakPolarHBondContact O-CB 3.44Å; Q499-S503 PolarHBondContact O-N 2.65Å; Q499-S503 PolarHBondContact O-OG 3.43Å; Q499-S503 VanDerWaalsContact O-OG 3.13Å; N500-S503 WeakPolarHBondContact CA-OG 3.5Å; N500-S503 PolarHBondContact O-OG 2.94Å; S503-L505 PolarHBondContact O-N 3.15Å; S503-K506 PolarHBondContact O-N 3.2Å; S503-M507 WeakPolarHBondContact O-CG 3.33Å; S503-M507 PolarHBondContact O-N 2.92Å
504F78.2Confident69.9Low114 Ų11485.9 Ų85.950%0.544%0.444SS..Hα-helixtrans-59.3-44.7173.1-179.2-97.5000112.7N500 I501 L502 M507 Q508N500-F504 VanDerWaalsContact O-CB 3.31Å; N500-F504 WeakPolarHBondContact O-CB 3.44Å; N500-F504 PolarHBondContact O-N 2.9Å; N500-F504 VanDerWaalsContact O-N 3.09Å; I501-F504 PolarHBondContact O-N 2.76Å; L502-F504 VanDerWaalsContact C-N 3.35Å; F504-M507 PolarHBondContact O-N 3.46Å; F504-Q508 VanDerWaalsContact CZ-NE2 3.3Å; F504-Q508 PolarHBondContact O-N 3.39Å
505L81.6Confident67.3Low2 Ų293 Ų931%0.0148%0.478CS..Hα-helixtrans-65.8-39.3176.7-67.6168.5000112.1V441 I443 E470 Y473 I501 L502 S503 Q508 H509V441-L505 HydrophobicContact CG1-CD2 4.11Å; I443-L505 HydrophobicContact CD1-CB 4.32Å; I443-L505 HydrophobicContact CD1-CD2 3.74Å; I443-L505 WeakPolarHBondContact CD1-O 3.35Å; I443-L505 HydrophobicContact CG1-CD2 4.11Å; E470-L505 HydrophobicContact CB-CD1 3.9Å; E470-L505 HydrophobicContact CG-CD1 4.16Å; Y473-L505 HydrophobicContact CD1-CD1 3.93Å; Y473-L505 HydrophobicContact CE1-CD1 4.38Å; I501-L505 HydrophobicContact CG2-CD1 4.11Å; I501-L505 VanDerWaalsContact O-CG 3.28Å; I501-L505 WeakPolarHBondContact O-CG 3.43Å; I501-L505 PolarHBondContact O-N 2.95Å; L502-L505 PolarHBondContact O-N 3.4Å; S503-L505 PolarHBondContact O-N 3.15Å; L505-Q508 PolarHBondContact O-N 2.9Å; L505-H509 PolarHBondContact O-CD2 3.1Å; L505-H509 PolarHBondContact O-N 3.28Å
506K76.9Confident64.6Low134 Ų13497.5 Ų97.558%0.58349%0.493SS*.Hα-helixtrans-67.7-37.3176.9-75.4177.2179.9-179.90113.2L502 S503 Q508 H509 M510L502-K506 WeakPolarHBondContact O-CG 3.44Å; L502-K506 PolarHBondContact O-N 2.91Å; S503-K506 PolarHBondContact O-N 3.2Å; K506-Q508 PolarHBondContact O-N 2.97Å; K506-H509 WeakPolarHBondContact O-CB 3.43Å; K506-H509 PolarHBondContact O-N 3.08Å; K506-M510 PolarHBondContact O-N 2.96Å
507M63.1Low62.1Low146 Ų14699.5 Ų99.572%0.71950%0.502SS*.Hα-helixtrans-62.6-31.2175.4-75.4-177.2-178.500111.8S503 F504 H509 M510S503-M507 WeakPolarHBondContact O-CG 3.33Å; S503-M507 PolarHBondContact O-N 2.92Å; F504-M507 PolarHBondContact O-N 3.46Å; M507-H509 VanDerWaalsContact C-N 3.33Å; M507-M510 PolarHBondContact O-N 3.35Å
508Q60.8Low59.2Low96 Ų96104.7 Ų104.745%0.44953%0.526SS..Hα-helixtrans-76.4-14.6174.4-69.8-171.6-10.500114.2I443 F504 L505 K506I443-Q508 HydrophobicContact CD1-CB 3.41Å; I443-Q508 VanDerWaalsContact CD1-CB 3.41Å; I443-Q508 HydrophobicContact CD1-CG 4.23Å; F504-Q508 VanDerWaalsContact CZ-NE2 3.3Å; F504-Q508 PolarHBondContact O-N 3.39Å; L505-Q508 PolarHBondContact O-N 2.9Å; K506-Q508 PolarHBondContact O-N 2.97Å
509H54.9Low56.5Low97 Ų97110.5 Ų110.545%0.44956%0.564SS.*Hα-helixtrans-82.8-20.7169.5-83.8-78.5000113.3I443 E470 L505 K506 M507 N511I443-H509 VanDerWaalsContact CG2-CE1 3.5Å; I443-H509 WeakPolarHBondContact CG2-CE1 3.15Å; I443-H509 WeakPolarHBondContact CG2-NE2 3.31Å; E470-H509 IonicContact OE1-CD2 3.6Å; E470-H509 IonicContact OE1-CE1 3.08Å; E470-H509 IonicContact OE1-NE2 3.95Å; E470-H509 PolarHBondContact OE1-NE2 3.17Å; E470-H509 IonicContact OE2-CD2 3.35Å; E470-H509 IonicContact OE2-NE2 2.94Å; E470-H509 PolarHBondContact OE2-NE2 3.45Å; L505-H509 PolarHBondContact O-CD2 3.1Å; L505-H509 PolarHBondContact O-N 3.28Å; K506-H509 WeakPolarHBondContact O-CB 3.43Å; K506-H509 PolarHBondContact O-N 3.08Å; M507-H509 VanDerWaalsContact C-N 3.33Å; H509-N511 PolarHBondContact O-N 3.31Å; H509-N511 VanDerWaalsContact O-N 3.15Å
510M37.8Very low54.2Low151 Ų151110.9 Ų110.974%0.74457%0.569SS**  trans-89.256.6178.4-66-84.490.100111.1K506 M507 P512K506-M510 PolarHBondContact O-N 2.96Å; M507-M510 PolarHBondContact O-N 3.35Å; M510-P512 WeakPolarHBondContact O-CD 3.33Å
511N39.4Very low52.1Low125 Ų125113.7 Ų113.767%0.66859%0.589SS**  trans-90.6109151.1-102.1-13000106.3H509H509-N511 PolarHBondContact O-N 3.31Å; H509-N511 VanDerWaalsContact O-N 3.15Å
512P41.8Very low50.4Low103 Ų103116.4 Ų116.467%0.66961%0.606SS**  trans-58.1152.4162.225.6-29.8000108.7M510M510-P512 WeakPolarHBondContact O-CD 3.33Å
513D33Very low49.3Very low146 Ų146122 Ų12278%0.78164%0.636SS**SBendtrans-38.1148.8174.3-89-47.3000112.3Q515D513-Q515 VanDerWaalsContact C-N 3.32Å; D513-Q515 PolarHBondContact O-N 3.27Å
514P38.3Very low49Very low118 Ų118120 Ų12077%0.76662%0.621SS**  trans-59.497179.725.6-32.2000109.1F516P514-F516 PolarHBondContact O-N 2.89Å; P514-F516 VanDerWaalsContact O-N 3.15Å
515Q32.2Very low49.2Very low167 Ų167117.1 Ų117.178%0.7861%0.611SS**  trans-59.1121.7161.4-74-177.8-9.400105.4D513 I517D513-Q515 VanDerWaalsContact C-N 3.32Å; D513-Q515 PolarHBondContact O-N 3.27Å; Q515-I517 PolarHBondContact O-N 2.83Å
516F30.7Very low49.2Very low208 Ų208117 Ų11791%0.91261%0.61SS**  trans-46.9105168.1-100.6-102.8000108P514 E518P514-F516 PolarHBondContact O-N 2.89Å; P514-F516 VanDerWaalsContact O-N 3.15Å; F516-E518 PolarHBondContact O-N 3.13Å
517I33.7Very low49.5Very low149 Ų149114.1 Ų114.176%0.76460%0.599SS**  trans-72.1107.5167.8-63.5173.4000104.3Q515Q515-I517 PolarHBondContact O-N 2.83Å
518E25.6Very low50.6Low161 Ų161107.8 Ų107.875%0.75257%0.569SS**  trans-49.2138.3162.6-74.2-172.1157.200108.4F516 I520F516-E518 PolarHBondContact O-N 3.13Å; E518-I520 VanDerWaalsContact C-N 3.26Å; E518-I520 PolarHBondContact O-N 2.82Å
519P31.5Very low52Low124 Ų124103.6 Ų103.681%0.80555%0.55SS*.  trans-68.389.2-178.227.9-31.5000109.1T521P519-T521 PolarHBondContact O-N 3.32Å; P519-T521 VanDerWaalsContact O-N 3.16Å
520I37.8Very low53.7Low126 Ų12699 Ų9965%0.64653%0.528SS*.  trans-65.8114163.7-56.9171.7000104.8E518 T522E518-I520 VanDerWaalsContact C-N 3.26Å; E518-I520 PolarHBondContact O-N 2.82Å; I520-T522 VanDerWaalsContact C-N 3.29Å; I520-T522 PolarHBondContact O-N 3.23Å; I520-T522 PolarHBondContact O-OG1 3.47Å
521T40Very low56.2Low138 Ų13891.8 Ų91.885%0.84749%0.493SS*.  trans-55.494.1171420000108.7P519 D523P519-T521 PolarHBondContact O-N 3.32Å; P519-T521 VanDerWaalsContact O-N 3.16Å; T521-D523 PolarHBondContact O-N 3.23Å
522T52.3Low58.5Low68 Ų6886 Ų8642%0.41746%0.462SS..  trans-89.796.2-178.322.70000107.6Y331 I520 I524Y331-T522 VanDerWaalsContact OH-CG2 3.27Å; Y331-T522 WeakPolarHBondContact OH-CG2 3.28Å; I520-T522 VanDerWaalsContact C-N 3.29Å; I520-T522 PolarHBondContact O-N 3.23Å; I520-T522 PolarHBondContact O-OG1 3.47Å; T522-I524 PolarHBondContact O-N 2.64Å
523D63.9Low60.6Low139 Ų13986.3 Ų86.374%0.74345%0.45SS*.  trans-73.280.8175.8-166.89.2000109.6T521 N525 R547T521-D523 PolarHBondContact O-N 3.23Å; D523-N525 PolarHBondContact O-N 3.3Å; D523-R547 IonicContact OD1-NH2 2.67Å; D523-R547 PolarHBondContact OD1-NH2 3.07Å
524I75.8Confident62.9Low8 Ų879.7 Ų79.74%0.04141%0.414CS..  trans-74124.8171.8-68.8175.1000108Y331 T522 P526 L529 R547 L555Y331-I524 HydrophobicContact CD1-CD1 4.47Å; Y331-I524 HydrophobicContact CD2-CG1 4.09Å; Y331-I524 HydrophobicContact CE1-CD1 4.06Å; Y331-I524 HydrophobicContact CE1-CG1 4.39Å; Y331-I524 HydrophobicContact CE2-CD1 4.15Å; Y331-I524 HydrophobicContact CE2-CG1 3.59Å; T522-I524 PolarHBondContact O-N 2.64Å; I524-P526 WeakPolarHBondContact O-CD 3.39Å; I524-L529 HydrophobicContact CG2-CD1 4.1Å; I524-R547 PolarHBondContact O-NH2 3.13Å; I524-L555 HydrophobicContact CD1-CD1 3.96Å; I524-L555 HydrophobicContact CD1-CD2 3.29Å; I524-L555 HydrophobicContact CD1-CG 3.41Å; I524-L555 VanDerWaalsContact CD1-CG 3.41Å
525N82.3Confident65Low53 Ų5376.2 Ų76.228%0.28339%0.389SS..  trans-100.390.7169.5-170.80.5000110.3D523 E527 C528D523-N525 PolarHBondContact O-N 3.3Å; N525-E527 PolarHBondContact O-N 2.83Å; N525-E527 WeakPolarHBondContact OD1-CB 3.21Å; N525-E527 PolarHBondContact OD1-N 3.17Å; N525-C528 PolarHBondContact O-N 3.29Å
526P81.7Confident67.2Low0 Ų073 Ų730%037%0.372CS..G310 helixtrans-65.4-24.1-176.728.1-35.5000112.2I524 C528 L529 V530 R547 I550 I554I524-P526 WeakPolarHBondContact O-CD 3.39Å; P526-C528 PolarHBondContact O-N 3.32Å; P526-L529 PolarHBondContact O-N 2.84Å; P526-V530 WeakPolarHBondContact O-CG2 3.34Å; P526-V530 PolarHBondContact O-N 3.42Å; P526-R547 HydrophobicContact CG-CB 4.49Å; P526-R547 HydrophobicContact CG-CG 3.6Å; P526-I550 HydrophobicContact CB-CB 4.27Å; P526-I550 HydrophobicContact CB-CG2 3.7Å; P526-I554 HydrophobicContact CB-CD1 4.01Å
527E83.6Confident69.2Low73 Ų7369.3 Ų69.334%0.34136%0.356SS..G310 helixtrans-65.4-20.1-177.7-53.9177.4-179.500113.2P239 N525 L535 R547P239-E527 HydrophobicContact CB-CB 3.83Å; P239-E527 HydrophobicContact CG-CB 3.73Å; P239-E527 WeakPolarHBondContact CG-OE2 3.39Å; N525-E527 PolarHBondContact O-N 2.83Å; N525-E527 WeakPolarHBondContact OD1-CB 3.21Å; N525-E527 PolarHBondContact OD1-N 3.17Å; E527-L535 HydrophobicContact CB-CD1 4.08Å; E527-L535 HydrophobicContact CG-CD1 4.16Å; E527-L535 HydrophobicContact CG-CD2 4.41Å; E527-R547 IonicContact OE1-NH1 3.91Å
528C86.5Confident70.8Confident13 Ų1364.2 Ų64.29%0.08833%0.327CS..G310 helixtrans-95.8-7.1174-70.80000113.8I236 N525 P526I236-C528 HydrophobicContact CB-CB 4.17Å; N525-C528 PolarHBondContact O-N 3.29Å; P526-C528 PolarHBondContact O-N 3.32Å
529L88.9Confident72.3Confident8 Ų863.5 Ų63.54%0.04232%0.322CS..THydrogen-bonded Turntrans-111.4-20-171.2-61.3173.4000113.3L312 A327 Q330 I524 P526 I554L312-L529 WeakPolarHBondContact CD2-O 3.26Å; A327-L529 HydrophobicContact CB-CB 3.97Å; Q330-L529 HydrophobicContact CB-CD2 3.85Å; Q330-L529 PolarHBondContact NE2-O 3.37Å; I524-L529 HydrophobicContact CG2-CD1 4.1Å; P526-L529 PolarHBondContact O-N 2.84Å; L529-I554 HydrophobicContact CD1-CD1 4.32Å
530V90.6Very high73.7Confident0 Ų065.8 Ų65.80%033%0.327CS..SBendtrans-120.1153.9178.9-55.30000111.3M323 A327 P526 L535 I550 I554M323-V530 HydrophobicContact CG-CB 4.21Å; M323-V530 HydrophobicContact CG-CG1 4.14Å; M323-V530 HydrophobicContact SD-CB 4.24Å; M323-V530 HydrophobicContact SD-CG1 4.44Å; A327-V530 HydrophobicContact CB-CG1 3.85Å; P526-V530 WeakPolarHBondContact O-CG2 3.34Å; P526-V530 PolarHBondContact O-N 3.42Å; V530-L535 HydrophobicContact CG2-CD2 3.81Å; V530-L535 HydrophobicContact CG2-CG 3.98Å; V530-I550 HydrophobicContact CG1-CG2 4.22Å; V530-I554 HydrophobicContact CG1-CD1 4.33Å
531S90.4Very high74.9Confident0 Ų064.2 Ų64.20%032%0.316CS..  trans-61.2144.2173.9179.80000112L312 E314 R533 Y534L312-S531 VanDerWaalsContact O-CB 3.26Å; L312-S531 WeakPolarHBondContact O-CB 3.47Å; L312-S531 PolarHBondContact O-OG 2.94Å; E314-S531 VanDerWaalsContact CG-OG 3.22Å; E314-S531 WeakPolarHBondContact CG-OG 3.32Å; E314-S531 PolarHBondContact OE1-OG 3.43Å; S531-R533 PolarHBondContact O-N 2.73Å; S531-Y534 PolarHBondContact O-N 2.99Å; S531-Y534 VanDerWaalsContact O-N 3.07Å
532P87.2Confident76.1Confident4 Ų464.9 Ų64.93%0.02631%0.309CS..Hα-helixtrans-54.5-23-179.8-29.337.3000115.5L242 V243 Y246 Y534 L535 K536L242-P532 HydrophobicContact CD2-CG 4.28Å; L242-P532 HydrophobicContact CG-CG 3.99Å; V243-P532 HydrophobicContact CG2-CG 4.38Å; Y246-P532 HydrophobicContact CD1-CB 4.12Å; Y246-P532 HydrophobicContact CD1-CG 4.16Å; Y246-P532 HydrophobicContact CD2-CG 4.3Å; Y246-P532 HydrophobicContact CE1-CB 4.42Å; Y246-P532 HydrophobicContact CG-CB 4.3Å; Y246-P532 HydrophobicContact CG-CG 3.86Å; P532-Y534 VanDerWaalsContact C-N 3.35Å; P532-Y534 PolarHBondContact O-N 3.08Å; P532-L535 PolarHBondContact O-N 3.34Å; P532-K536 WeakPolarHBondContact O-CG 3.46Å; P532-K536 PolarHBondContact O-N 2.94Å
533R86Confident76.5Confident110 Ų11066.6 Ų66.642%0.41532%0.321SS..Hα-helixtrans-62.1-40.2176.8-173178.863.8108.7-1112.6E314 S531 L535 K536 K537E314-R533 WeakPolarHBondContact OE1-CB 3.36Å; E314-R533 VanDerWaalsContact OE1-CD 3.29Å; E314-R533 WeakPolarHBondContact OE1-CD 3.43Å; E314-R533 IonicContact OE1-CZ 3.76Å; E314-R533 IonicContact OE1-NE 2.71Å; E314-R533 PolarHBondContact OE1-NE 3.46Å; E314-R533 IonicContact OE1-NH2 2.78Å; E314-R533 IonicContact OE2-NE 2.77Å; S531-R533 PolarHBondContact O-N 2.73Å; R533-L535 VanDerWaalsContact C-N 3.32Å; R533-L535 PolarHBondContact O-N 2.97Å; R533-K536 PolarHBondContact O-N 3.41Å; R533-K536 VanDerWaalsContact O-N 3.14Å; R533-K537 PolarHBondContact O-N 2.77Å
534Y82.6Confident76.8Confident6 Ų662 Ų622%0.02431%0.306CS..Hα-helixtrans-69.3-32.5-178-69.4-81.1000111.9C318 T319 E320 M323 S531 P532 Y538C318-Y534 PolarHBondContact O-OH 3.43Å; T319-Y534 PolarHBondContact O-OH 3.01Å; E320-Y534 HydrophobicContact CB-CE1 3.95Å; E320-Y534 HydrophobicContact CG-CD1 4.18Å; E320-Y534 HydrophobicContact CG-CE1 3.96Å; M323-Y534 HydrophobicContact CB-CE1 4.46Å; M323-Y534 HydrophobicContact CB-CE2 4.01Å; M323-Y534 HydrophobicContact CE-CD2 3.96Å; M323-Y534 HydrophobicContact CE-CE2 3.49Å; M323-Y534 VanDerWaalsContact CE-CE2 3.49Å; M323-Y534 HydrophobicContact CG-CD2 3.86Å; M323-Y534 HydrophobicContact CG-CE2 3.72Å; M323-Y534 HydrophobicContact CG-CG 4.38Å; M323-Y534 HydrophobicContact SD-CE2 4.43Å; S531-Y534 PolarHBondContact O-N 2.99Å; S531-Y534 VanDerWaalsContact O-N 3.07Å; P532-Y534 VanDerWaalsContact C-N 3.35Å; P532-Y534 PolarHBondContact O-N 3.08Å; Y534-Y538 WeakPolarHBondContact O-CD2 3.31Å
535L81Confident76.8Confident45 Ų4567.6 Ų67.624%0.23633%0.328CS..Hα-helixtrans-67.2-39171.2-55.4173.1000111.1E527 V530 P532 R533 I550E527-L535 HydrophobicContact CB-CD1 4.08Å; E527-L535 HydrophobicContact CG-CD1 4.16Å; E527-L535 HydrophobicContact CG-CD2 4.41Å; V530-L535 HydrophobicContact CG2-CD2 3.81Å; V530-L535 HydrophobicContact CG2-CG 3.98Å; P532-L535 PolarHBondContact O-N 3.34Å; R533-L535 VanDerWaalsContact C-N 3.32Å; R533-L535 PolarHBondContact O-N 2.97Å; L535-I550 HydrophobicContact CD2-CD1 3.79Å
536K78.7Confident76.5Confident101 Ų10165.7 Ų65.744%0.43932%0.318SS..Hα-helixtrans-72.5-25.3180-69.4177.4-177.5170.60113.8P532 R533 Y538 K539P532-K536 WeakPolarHBondContact O-CG 3.46Å; P532-K536 PolarHBondContact O-N 2.94Å; R533-K536 PolarHBondContact O-N 3.41Å; R533-K536 VanDerWaalsContact O-N 3.14Å; K536-Y538 PolarHBondContact O-N 3.49Å; K536-K539 HydrophobicContact CB-CD 4.34Å; K536-K539 WeakPolarHBondContact O-CB 3.48Å; K536-K539 WeakPolarHBondContact O-CD 3.2Å; K536-K539 WeakPolarHBondContact O-CG 3.16Å; K536-K539 PolarHBondContact O-N 3.15Å
537K73.4Confident76.4Confident129 Ų12969.2 Ų69.256%0.56133%0.332SS*.Hα-helixtrans-63.2-28-179.1-171.3177.9175.9-175.90112.8E320 R533E320-K537 IonicContact OE2-NZ 2.68Å; E320-K537 PolarHBondContact OE2-NZ 2.89Å; R533-K537 PolarHBondContact O-N 2.77Å
538Y66.4Low76.3Confident42 Ų4270.8 Ų70.817%0.16534%0.342CS..THydrogen-bonded Turntrans-102.217.6-177.1-61.5-77.8000114.2E320 Y534 K536 N540 K541 V546 L549E320-Y538 PolarHBondContact OE1-OH 2.82Å; Y534-Y538 WeakPolarHBondContact O-CD2 3.31Å; K536-Y538 PolarHBondContact O-N 3.49Å; Y538-N540 PolarHBondContact O-N 2.8Å; Y538-K541 PolarHBondContact O-N 3.37Å; Y538-V546 VanDerWaalsContact CB-CG2 3.47Å; Y538-V546 HydrophobicContact CD2-CG1 4.11Å; Y538-V546 HydrophobicContact CG-CG1 4.14Å; Y538-V546 WeakPolarHBondContact O-CG2 3.43Å; Y538-L549 HydrophobicContact CE1-CD2 4.25Å
539K57.9Low76.2Confident147 Ų14772.6 Ų72.664%0.63935%0.351SS*.THydrogen-bonded Turntrans-50.9-25.4-177-87.4174.1-178.5-1710116.6K536 K541K536-K539 HydrophobicContact CB-CD 4.34Å; K536-K539 WeakPolarHBondContact O-CB 3.48Å; K536-K539 WeakPolarHBondContact O-CD 3.2Å; K536-K539 WeakPolarHBondContact O-CG 3.16Å; K536-K539 PolarHBondContact O-N 3.15Å; K539-K541 PolarHBondContact O-N 3.17Å
540N60.2Low76Confident171 Ų17172.3 Ų72.391%0.91435%0.349SS*.THydrogen-bonded Turntrans-79.7-2.7179.9-67.3-15.1000113.2Y538Y538-N540 PolarHBondContact O-N 2.8Å
541K64Low75.9Confident94 Ų9473.1 Ų73.141%0.40936%0.355SS..SBendtrans-107156.3175.4-58.7-170.1-179.1-177.80109.9Y538 K539 Y545 V546Y538-K541 PolarHBondContact O-N 3.37Å; K539-K541 PolarHBondContact O-N 3.17Å; K541-Y545 HydrophobicContact CB-CD1 4.09Å; K541-Y545 HydrophobicContact CD-CD1 3.58Å; K541-Y545 HydrophobicContact CD-CE1 3.49Å; K541-Y545 VanDerWaalsContact CD-CE1 3.49Å; K541-Y545 HydrophobicContact CG-CD1 4.44Å; K541-V546 HydrophobicContact CB-CG2 3.91Å
542Q63.8Low75.7Confident151 Ų15175.8 Ų75.871%0.70638%0.377SS*.  trans-53.8132.8175.5-72.5-69.6-900110.2G544 Y545 V546Q542-G544 VanDerWaalsContact C-N 3.26Å; Q542-G544 PolarHBondContact O-N 2.8Å; Q542-G544 VanDerWaalsContact O-N 3.16Å; Q542-Y545 WeakPolarHBondContact O-CB 3.45Å; Q542-Y545 PolarHBondContact O-N 2.88Å; Q542-V546 PolarHBondContact O-N 2.89Å
543P62.6Low75.7Confident104 Ų10478.4 Ų78.468%0.67539%0.386SS*.Hα-helixtrans-52.4-39.5-174.8-29.134.5000114.3Y545 V546 R547P543-Y545 PolarHBondContact O-N 3.04Å; P543-V546 PolarHBondContact O-N 3.38Å; P543-R547 PolarHBondContact O-N 3.18Å
544G69.1Low75.8Confident42 Ų4273.1 Ų73.143%0.43337%0.366SS..Hα-helixtrans-61.2-42.4175.700000113Q542 V546 R547 D548Q542-G544 VanDerWaalsContact C-N 3.26Å; Q542-G544 PolarHBondContact O-N 2.8Å; Q542-G544 VanDerWaalsContact O-N 3.16Å; G544-V546 VanDerWaalsContact C-N 3.31Å; G544-V546 PolarHBondContact O-N 2.77Å; G544-R547 WeakPolarHBondContact O-CB 3.28Å; G544-R547 PolarHBondContact O-N 3.15Å; G544-D548 PolarHBondContact O-N 2.81Å
545Y75.7Confident76Confident127 Ų12776 Ų7650%0.49838%0.382SS..Hα-helixtrans-64.8-34.3178.8-179.1-89.3000112.7K541 Q542 P543 L549K541-Y545 HydrophobicContact CB-CD1 4.09Å; K541-Y545 HydrophobicContact CD-CD1 3.58Å; K541-Y545 HydrophobicContact CD-CE1 3.49Å; K541-Y545 VanDerWaalsContact CD-CE1 3.49Å; K541-Y545 HydrophobicContact CG-CD1 4.44Å; Q542-Y545 WeakPolarHBondContact O-CB 3.45Å; Q542-Y545 PolarHBondContact O-N 2.88Å; P543-Y545 PolarHBondContact O-N 3.04Å; Y545-L549 WeakPolarHBondContact O-CB 3.35Å; Y545-L549 PolarHBondContact O-N 3.5Å
546V76.7Confident76.2Confident12 Ų1280 Ų807%0.07340%0.399CS..Hα-helixtrans-68.1-43.9176.6178.90000111Y538 K541 Q542 P543 G544 L549 I550Y538-V546 VanDerWaalsContact CB-CG2 3.47Å; Y538-V546 HydrophobicContact CD2-CG1 4.11Å; Y538-V546 HydrophobicContact CG-CG1 4.14Å; Y538-V546 WeakPolarHBondContact O-CG2 3.43Å; K541-V546 HydrophobicContact CB-CG2 3.91Å; Q542-V546 PolarHBondContact O-N 2.89Å; P543-V546 PolarHBondContact O-N 3.38Å; G544-V546 VanDerWaalsContact C-N 3.31Å; G544-V546 PolarHBondContact O-N 2.77Å; V546-L549 PolarHBondContact O-N 3.39Å; V546-I550 HydrophobicContact CG1-CD1 3.91Å; V546-I550 WeakPolarHBondContact O-CG1 3.43Å; V546-I550 PolarHBondContact O-N 3.38Å; V546-I550 VanDerWaalsContact O-N 3.09Å
547R79.3Confident76.4Confident75 Ų7576.2 Ų76.228%0.28339%0.386SS..Hα-helixtrans-58.1-51176-174.6-176.4172.8126.1-8.1110.3D523 I524 P526 E527 P543 G544 L549 I550 S551D523-R547 IonicContact OD1-NH2 2.67Å; D523-R547 PolarHBondContact OD1-NH2 3.07Å; I524-R547 PolarHBondContact O-NH2 3.13Å; P526-R547 HydrophobicContact CG-CB 4.49Å; P526-R547 HydrophobicContact CG-CG 3.6Å; E527-R547 IonicContact OE1-NH1 3.91Å; P543-R547 PolarHBondContact O-N 3.18Å; G544-R547 WeakPolarHBondContact O-CB 3.28Å; G544-R547 PolarHBondContact O-N 3.15Å; R547-L549 VanDerWaalsContact C-N 3.35Å; R547-L549 PolarHBondContact O-N 3.14Å; R547-I550 PolarHBondContact O-N 3.33Å; R547-S551 WeakPolarHBondContact O-CB 3.45Å; R547-S551 PolarHBondContact O-N 2.93Å; R547-S551 PolarHBondContact O-OG 2.99Å; R547-S551 VanDerWaalsContact O-OG 3.09Å
548D81.6Confident76.9Confident106 Ų10671.1 Ų71.157%0.56737%0.365SS*.Hα-helixtrans-62-41.5-178.3-63-21.9000112.2G544 S551 A552G544-D548 PolarHBondContact O-N 2.81Å; D548-S551 PolarHBondContact O-N 2.97Å; D548-A552 WeakPolarHBondContact O-CB 3.49Å; D548-A552 PolarHBondContact O-N 3.41Å
549L84.4Confident77.6Confident51 Ų5176.3 Ų76.327%0.26739%0.391SS..Hα-helixtrans-62.6-46.1177.8178.965.1000112.2Y538 Y545 V546 R547 A552 R553Y538-L549 HydrophobicContact CE1-CD2 4.25Å; Y545-L549 WeakPolarHBondContact O-CB 3.35Å; Y545-L549 PolarHBondContact O-N 3.5Å; V546-L549 PolarHBondContact O-N 3.39Å; R547-L549 VanDerWaalsContact C-N 3.35Å; R547-L549 PolarHBondContact O-N 3.14Å; L549-A552 PolarHBondContact O-N 2.88Å; L549-R553 WeakPolarHBondContact O-CG 3.18Å; L549-R553 PolarHBondContact O-N 3.3Å; L549-R553 VanDerWaalsContact O-N 3.15Å
550I85.3Confident78.6Confident2 Ų275.6 Ų75.61%0.0139%0.393CS..Hα-helixtrans-68.2-44.1179.5-65.5171.5000109.8M324 P526 V530 L535 V546 R547 A552 R553 I554M324-I550 HydrophobicContact SD-CG2 4.27Å; P526-I550 HydrophobicContact CB-CB 4.27Å; P526-I550 HydrophobicContact CB-CG2 3.7Å; V530-I550 HydrophobicContact CG1-CG2 4.22Å; L535-I550 HydrophobicContact CD2-CD1 3.79Å; V546-I550 HydrophobicContact CG1-CD1 3.91Å; V546-I550 WeakPolarHBondContact O-CG1 3.43Å; V546-I550 PolarHBondContact O-N 3.38Å; V546-I550 VanDerWaalsContact O-N 3.09Å; R547-I550 PolarHBondContact O-N 3.33Å; I550-A552 VanDerWaalsContact C-N 3.32Å; I550-A552 PolarHBondContact O-N 3Å; I550-R553 PolarHBondContact O-N 3.18Å; I550-I554 HydrophobicContact CG2-CD1 3.77Å; I550-I554 HydrophobicContact CG2-CG1 4.29Å; I550-I554 VanDerWaalsContact O-CG1 3.31Å; I550-I554 WeakPolarHBondContact O-CG1 3.46Å; I550-I554 PolarHBondContact O-N 2.92Å
551S87.6Confident79.6Confident16 Ų1667.9 Ų67.911%0.11235%0.353CS..Hα-helixtrans-57.5-43.4175.3-67.60000112.2R547 D548 R553 I554 L555R547-S551 WeakPolarHBondContact O-CB 3.45Å; R547-S551 PolarHBondContact O-N 2.93Å; R547-S551 PolarHBondContact O-OG 2.99Å; R547-S551 VanDerWaalsContact O-OG 3.09Å; D548-S551 PolarHBondContact O-N 2.97Å; S551-R553 PolarHBondContact O-N 3.18Å; S551-I554 PolarHBondContact O-N 3.16Å; S551-L555 WeakPolarHBondContact O-CB 3.26Å; S551-L555 WeakPolarHBondContact O-CG 3.42Å; S551-L555 PolarHBondContact O-N 2.82Å
552A85.9Confident80.2Confident56 Ų5665.2 Ų65.246%0.46335%0.348SS..Hα-helixtrans-61.1-43.3176.600000112.2D548 L549 I550 L555 E556D548-A552 WeakPolarHBondContact O-CB 3.49Å; D548-A552 PolarHBondContact O-N 3.41Å; L549-A552 PolarHBondContact O-N 2.88Å; I550-A552 VanDerWaalsContact C-N 3.32Å; I550-A552 PolarHBondContact O-N 3Å; A552-L555 PolarHBondContact O-N 3.37Å; A552-E556 PolarHBondContact O-N 3.4Å
553R87.3Confident81Confident59 Ų5966 Ų6622%0.22335%0.352CS..Hα-helixtrans-67.5-36.6176.8-70.9-177.570.3-170.93.7113E320 E321 M324 L549 I550 S551 E556 A557E320-R553 IonicContact OE1-CZ 3.44Å; E320-R553 IonicContact OE1-NH1 3.35Å; E320-R553 PolarHBondContact OE1-NH1 3.29Å; E321-R553 IonicContact OE1-NH2 3.99Å; M324-R553 HydrophobicContact CG-CB 4.25Å; M324-R553 HydrophobicContact SD-CB 4.09Å; L549-R553 WeakPolarHBondContact O-CG 3.18Å; L549-R553 PolarHBondContact O-N 3.3Å; L549-R553 VanDerWaalsContact O-N 3.15Å; I550-R553 PolarHBondContact O-N 3.18Å; S551-R553 PolarHBondContact O-N 3.18Å; R553-E556 PolarHBondContact O-N 3.21Å; R553-A557 PolarHBondContact O-N 3.41Å
554I88.3Confident82Confident0 Ų062.9 Ų62.90%033%0.329CS..Hα-helixtrans-63.9-44173.7-68.6170.3000110M324 A327 A328 P526 L529 V530 I550 S551 A557 H558M324-I554 HydrophobicContact SD-CG1 4.32Å; A327-I554 HydrophobicContact CB-CD1 3.81Å; A327-I554 HydrophobicContact CB-CG1 3.83Å; A328-I554 HydrophobicContact CB-CG2 4.37Å; P526-I554 HydrophobicContact CB-CD1 4.01Å; L529-I554 HydrophobicContact CD1-CD1 4.32Å; V530-I554 HydrophobicContact CG1-CD1 4.33Å; I550-I554 HydrophobicContact CG2-CD1 3.77Å; I550-I554 HydrophobicContact CG2-CG1 4.29Å; I550-I554 VanDerWaalsContact O-CG1 3.31Å; I550-I554 WeakPolarHBondContact O-CG1 3.46Å; I550-I554 PolarHBondContact O-N 2.92Å; S551-I554 PolarHBondContact O-N 3.16Å; I554-A557 PolarHBondContact O-N 3.41Å; I554-H558 WeakPolarHBondContact O-CB 3.31Å; I554-H558 PolarHBondContact O-N 3.05Å
555L86.6Confident82.8Confident65 Ų6562.3 Ų62.334%0.3432%0.318SS..Hα-helixtrans-64.4-39.6177.6-77.9171.5000112.8I524 S551 A552 H558 Q559I524-L555 HydrophobicContact CD1-CD1 3.96Å; I524-L555 HydrophobicContact CD1-CD2 3.29Å; I524-L555 HydrophobicContact CD1-CG 3.41Å; I524-L555 VanDerWaalsContact CD1-CG 3.41Å; S551-L555 WeakPolarHBondContact O-CB 3.26Å; S551-L555 WeakPolarHBondContact O-CG 3.42Å; S551-L555 PolarHBondContact O-N 2.82Å; A552-L555 PolarHBondContact O-N 3.37Å; L555-H558 WeakPolarHBondContact O-CB 3.33Å; L555-H558 PolarHBondContact O-N 2.73Å; L555-Q559 PolarHBondContact O-N 2.88Å
556E85.1Confident83.2Confident131 Ų13156.4 Ų56.461%0.61230%0.295SS*.Hα-helixtrans-60.9-47.3173.8-175.4-177.7-174.600111A552 R553 H558 Q559A552-E556 PolarHBondContact O-N 3.4Å; R553-E556 PolarHBondContact O-N 3.21Å; E556-H558 VanDerWaalsContact C-N 3.3Å; E556-H558 PolarHBondContact O-N 3.18Å; E556-Q559 PolarHBondContact O-N 3.33Å
557A82.6Confident83.7Confident20 Ų2056.4 Ų56.417%0.16530%0.295CS..Hα-helixtrans-65.6-32.8175.200000112.5A328 R553 I554 Q559 N560A328-A557 HydrophobicContact CB-CB 3.71Å; R553-A557 PolarHBondContact O-N 3.41Å; I554-A557 PolarHBondContact O-N 3.41Å; A557-Q559 VanDerWaalsContact C-N 3.28Å; A557-Q559 PolarHBondContact O-N 2.84Å; A557-N560 PolarHBondContact O-N 3.1Å
558H85Confident84.1Confident22 Ų2256.4 Ų56.410%0.10230%0.298CS..Hα-helixtrans-61.6-33.3179.3-178.4-104000112.8A328 Y331 H332 I554 L555 E556 N560 V561 A562A328-H558 HydrophobicContact CB-CB 4.31Å; Y331-H558 AromaticContact CD1-CD2 3.72Å; H332-H558 AromaticContact CG-NE2 3.69Å; H332-H558 AromaticContact ND1-NE2 3.11Å; H332-H558 PolarHBondContact ND1-NE2 2.9Å; H332-H558 VanDerWaalsContact ND1-NE2 3.11Å; I554-H558 WeakPolarHBondContact O-CB 3.31Å; I554-H558 PolarHBondContact O-N 3.05Å; L555-H558 WeakPolarHBondContact O-CB 3.33Å; L555-H558 PolarHBondContact O-N 2.73Å; E556-H558 VanDerWaalsContact C-N 3.3Å; E556-H558 PolarHBondContact O-N 3.18Å; H558-N560 PolarHBondContact O-N 2.85Å; H558-N560 VanDerWaalsContact O-N 3.08Å; H558-V561 WeakPolarHBondContact O-CG2 3.19Å; H558-V561 PolarHBondContact O-N 2.81Å; H558-A562 PolarHBondContact O-N 2.87Å
559Q79.8Confident84.4Confident152 Ų15251.3 Ų51.371%0.7127%0.271SS*.THydrogen-bonded Turntrans-55.1-31.1176.7-66.2179.82.200112.7L555 E556 A557 V561L555-Q559 PolarHBondContact O-N 2.88Å; E556-Q559 PolarHBondContact O-N 3.33Å; A557-Q559 VanDerWaalsContact C-N 3.28Å; A557-Q559 PolarHBondContact O-N 2.84Å; Q559-V561 VanDerWaalsContact C-N 3.33Å
560N80.8Confident84.8Confident131 Ų13149 Ų4970%0.70126%0.259SS*.THydrogen-bonded Turntrans-79.2-14180-59.9-52.9000113.8A557 H558A557-N560 PolarHBondContact O-N 3.1Å; H558-N560 PolarHBondContact O-N 2.85Å; H558-N560 VanDerWaalsContact O-N 3.08Å
561V80.2Confident85.1Confident9 Ų950.2 Ų50.26%0.05527%0.265CS..THydrogen-bonded Turntrans-121.4-7-174.8-58.10000113.5A328 L329 H332 H558 Q559 Q563 M564A328-V561 HydrophobicContact CB-CG2 4.49Å; L329-V561 HydrophobicContact CD2-CB 3.97Å; L329-V561 HydrophobicContact CD2-CG1 3.65Å; L329-V561 HydrophobicContact CD2-CG2 4.38Å; L329-V561 HydrophobicContact CG-CG1 4.25Å; H332-V561 HydrophobicContact CB-CG2 4.3Å; H332-V561 PolarHBondContact NE2-O 2.9Å; H558-V561 WeakPolarHBondContact O-CG2 3.19Å; H558-V561 PolarHBondContact O-N 2.81Å; Q559-V561 VanDerWaalsContact C-N 3.33Å; V561-Q563 PolarHBondContact O-N 3.07Å; V561-M564 HydrophobicContact CB-CE 4.32Å; V561-M564 HydrophobicContact CB-SD 3.94Å; V561-M564 HydrophobicContact CG1-CE 4.01Å; V561-M564 HydrophobicContact CG1-SD 4.05Å; V561-M564 WeakPolarHBondContact O-CB 3.31Å; V561-M564 WeakPolarHBondContact O-CG 3.26Å; V561-M564 PolarHBondContact O-N 2.71Å
562A77.1Confident85.3Confident38 Ų3854.5 Ų54.531%0.31428%0.278SS..THydrogen-bonded Turntrans-58.2-23.5-172.700000115.3H332 H558H332-A562 PolarHBondContact CE1-O 3.38Å; H558-A562 PolarHBondContact O-N 2.87Å
563Q79.8Confident85.8Confident167 Ų16751.9 Ų51.978%0.7826%0.256SS*.THydrogen-bonded Turntrans-92.7-4.8-179.2-60.3-60.9-17.800113.9V561V561-Q563 PolarHBondContact O-N 3.07Å
564M83.1Confident86.1Confident39 Ų3949.1 Ų49.119%0.19225%0.246CC..  trans-74.7143.8-177.9-63.4177.3-178.300111.1L329 H332 V561 E568 A569 R572L329-M564 HydrophobicContact CD2-SD 4.34Å; H332-M564 PolarHBondContact NE2-O 2.85Å; V561-M564 HydrophobicContact CB-CE 4.32Å; V561-M564 HydrophobicContact CB-SD 3.94Å; V561-M564 HydrophobicContact CG1-CE 4.01Å; V561-M564 HydrophobicContact CG1-SD 4.05Å; V561-M564 WeakPolarHBondContact O-CB 3.31Å; V561-M564 WeakPolarHBondContact O-CG 3.26Å; V561-M564 PolarHBondContact O-N 2.71Å; M564-E568 HydrophobicContact CB-CB 4.39Å; M564-E568 HydrophobicContact CB-CG 4.32Å; M564-E568 HydrophobicContact CG-CG 4.38Å; M564-A569 HydrophobicContact CB-CB 4.33Å; M564-R572 HydrophobicContact CE-CG 4.17Å; M564-R572 HydrophobicContact SD-CB 4.39Å; M564-R572 HydrophobicContact SD-CG 3.84Å
565S86Confident86.4Confident31 Ų3153.4 Ų53.422%0.21727%0.266CS..  trans-67.3165.6168.2660000111.7I567 E568 A569S565-I567 PolarHBondContact O-N 2.82Å; S565-E568 PolarHBondContact O-N 2.98Å; S565-E568 WeakPolarHBondContact OG-CB 3.34Å; S565-E568 PolarHBondContact OG-N 2.96Å; S565-A569 WeakPolarHBondContact O-CB 3.39Å; S565-A569 PolarHBondContact O-N 2.72Å
566L85Confident86.6Confident2 Ų250.9 Ų50.91%0.0126%0.255CS..Hα-helixtrans-58.3-48-179.9177.864.9000111.8R205 D206 I333 L336 S337 A569 K570R205-L566 WeakPolarHBondContact O-CB 3.34Å; D206-L566 VanDerWaalsContact O-CD2 3.25Å; D206-L566 WeakPolarHBondContact O-CD2 3.24Å; I333-L566 HydrophobicContact CB-CD1 4.28Å; I333-L566 HydrophobicContact CG1-CD1 4.49Å; I333-L566 HydrophobicContact CG2-CD1 3.82Å; I333-L566 WeakPolarHBondContact O-CD1 3.47Å; L336-L566 HydrophobicContact CB-CB 4.38Å; L336-L566 HydrophobicContact CB-CD1 4.07Å; L336-L566 HydrophobicContact CD1-CB 4.13Å; S337-L566 WeakPolarHBondContact OG-CD1 3.4Å; L566-A569 PolarHBondContact O-N 2.81Å; L566-K570 WeakPolarHBondContact O-CG 3.47Å; L566-K570 PolarHBondContact O-N 2.82Å
567I86.8Confident87.1Confident13 Ų1344.8 Ų44.87%0.06723%0.226CC..Hα-helixtrans-70-36.4-178.6-161.265.1000111.5S204 P293 V300 S565 K570 M571S204-I567 WeakPolarHBondContact O-CG2 3.47Å; S204-I567 PolarHBondContact O-N 3.42Å; P293-I567 HydrophobicContact CB-CG1 3.76Å; P293-I567 HydrophobicContact CB-CG2 4.06Å; V300-I567 HydrophobicContact CB-CD1 3.87Å; V300-I567 HydrophobicContact CG1-CD1 3.57Å; V300-I567 HydrophobicContact CG1-CG1 4.47Å; V300-I567 HydrophobicContact CG2-CD1 4.33Å; S565-I567 PolarHBondContact O-N 2.82Å; I567-K570 PolarHBondContact O-N 2.81Å; I567-M571 VanDerWaalsContact O-CG 3.25Å; I567-M571 WeakPolarHBondContact O-CG 3.45Å; I567-M571 PolarHBondContact O-N 3.49Å
568E88Confident87.6Confident74 Ų7447.4 Ų47.435%0.34624%0.235SC..Hα-helixtrans-64.2-44.3176-176.1177-171.800111.1M564 S565 K570 M571 R572M564-E568 HydrophobicContact CB-CB 4.39Å; M564-E568 HydrophobicContact CB-CG 4.32Å; M564-E568 HydrophobicContact CG-CG 4.38Å; S565-E568 PolarHBondContact O-N 2.98Å; S565-E568 WeakPolarHBondContact OG-CB 3.34Å; S565-E568 PolarHBondContact OG-N 2.96Å; E568-K570 VanDerWaalsContact C-N 3.32Å; E568-K570 PolarHBondContact O-N 3.37Å; E568-M571 PolarHBondContact O-N 3.05Å; E568-M571 VanDerWaalsContact O-N 3.15Å; E568-R572 HydrophobicContact CG-CG 4.28Å; E568-R572 VanDerWaalsContact O-CG 3.29Å; E568-R572 WeakPolarHBondContact O-CG 3.21Å; E568-R572 PolarHBondContact O-N 2.59Å; E568-R572 IonicContact OE1-NE 3.96Å; E568-R572 IonicContact OE1-NH2 2.86Å
569A88.2Confident88Confident0 Ų050.4 Ų50.40%026%0.258CS..Hα-helixtrans-60-41.4177.400000111.9L329 I333 M564 S565 L566 R572 F573L329-A569 HydrophobicContact CD2-CB 4.34Å; I333-A569 HydrophobicContact CD1-CB 4.17Å; I333-A569 HydrophobicContact CG1-CB 3.64Å; M564-A569 HydrophobicContact CB-CB 4.33Å; S565-A569 WeakPolarHBondContact O-CB 3.39Å; S565-A569 PolarHBondContact O-N 2.72Å; L566-A569 PolarHBondContact O-N 2.81Å; A569-R572 PolarHBondContact O-N 2.95Å; A569-F573 PolarHBondContact O-N 3.21Å
570K93.6Very high88.6Confident3 Ų343.4 Ų43.41%0.01323%0.226CC..Hα-helixtrans-62.7-44.7173.3-70.1178.4-173.1178.90111.9A231 V300 N301 Y304 I333 L566 I567 E568 R572 F573 I574A231-K570 PolarHBondContact O-NZ 2.83Å; V300-K570 HydrophobicContact CG1-CB 3.85Å; V300-K570 HydrophobicContact CG1-CD 4.5Å; N301-K570 WeakPolarHBondContact OD1-CE 3.31Å; N301-K570 PolarHBondContact OD1-NZ 2.93Å; Y304-K570 HydrophobicContact CD1-CD 4.34Å; Y304-K570 HydrophobicContact CD1-CG 4.14Å; Y304-K570 HydrophobicContact CD2-CG 4.4Å; Y304-K570 HydrophobicContact CG-CB 4.31Å; Y304-K570 HydrophobicContact CG-CG 3.99Å; I333-K570 HydrophobicContact CD1-CG 3.84Å; I333-K570 HydrophobicContact CG1-CG 4.18Å; I333-K570 HydrophobicContact CG2-CG 4.35Å; L566-K570 WeakPolarHBondContact O-CG 3.47Å; L566-K570 PolarHBondContact O-N 2.82Å; I567-K570 PolarHBondContact O-N 2.81Å; E568-K570 VanDerWaalsContact C-N 3.32Å; E568-K570 PolarHBondContact O-N 3.37Å; K570-R572 VanDerWaalsContact C-N 3.35Å; K570-R572 PolarHBondContact O-N 2.85Å; K570-F573 WeakPolarHBondContact O-CB 3.35Å; K570-F573 PolarHBondContact O-N 3.23Å; K570-I574 WeakPolarHBondContact O-CG1 3.19Å; K570-I574 PolarHBondContact O-N 2.95Å
571M91.1Very high88.9Confident27 Ų2742.4 Ų42.413%0.13323%0.226CC..Hα-helixtrans-62.7-40.6177-70.8-67.8-73.900111.9L291 P293 V300 I567 E568 I574 Q575L291-M571 HydrophobicContact CB-CE 4.36Å; L291-M571 HydrophobicContact CD2-CE 3.81Å; L291-M571 HydrophobicContact CD2-SD 3.57Å; L291-M571 VanDerWaalsContact CD2-SD 3.57Å; L291-M571 HydrophobicContact CG-CE 3.93Å; L291-M571 HydrophobicContact CG-SD 3.86Å; P293-M571 HydrophobicContact CG-CE 4.2Å; P293-M571 HydrophobicContact CG-CG 4.11Å; P293-M571 HydrophobicContact CG-SD 4.44Å; V300-M571 HydrophobicContact CG1-CG 4.24Å; V300-M571 HydrophobicContact CG1-SD 3.91Å; V300-M571 HydrophobicContact CG2-SD 3.78Å; I567-M571 VanDerWaalsContact O-CG 3.25Å; I567-M571 WeakPolarHBondContact O-CG 3.45Å; I567-M571 PolarHBondContact O-N 3.49Å; E568-M571 PolarHBondContact O-N 3.05Å; E568-M571 VanDerWaalsContact O-N 3.15Å; M571-I574 PolarHBondContact O-N 3.23Å; M571-Q575 WeakPolarHBondContact O-CB 3.24Å; M571-Q575 VanDerWaalsContact O-CG 3.27Å; M571-Q575 WeakPolarHBondContact O-CG 3.42Å; M571-Q575 PolarHBondContact O-N 3Å
572R90.6Very high89.3Confident106 Ų10644.3 Ų44.340%0.424%0.235SC..Hα-helixtrans-64.7-39.1174.8-68.8-62-174.2164.64.5112L329 M564 E568 A569 K570 Q575 A576L329-R572 HydrophobicContact CD1-CB 4.42Å; L329-R572 HydrophobicContact CD2-CB 4.31Å; M564-R572 HydrophobicContact CE-CG 4.17Å; M564-R572 HydrophobicContact SD-CB 4.39Å; M564-R572 HydrophobicContact SD-CG 3.84Å; E568-R572 HydrophobicContact CG-CG 4.28Å; E568-R572 VanDerWaalsContact O-CG 3.29Å; E568-R572 WeakPolarHBondContact O-CG 3.21Å; E568-R572 PolarHBondContact O-N 2.59Å; E568-R572 IonicContact OE1-NE 3.96Å; E568-R572 IonicContact OE1-NH2 2.86Å; A569-R572 PolarHBondContact O-N 2.95Å; K570-R572 VanDerWaalsContact C-N 3.35Å; K570-R572 PolarHBondContact O-N 2.85Å; R572-Q575 PolarHBondContact O-N 3.43Å; R572-A576 WeakPolarHBondContact O-CB 3.03Å; R572-A576 PolarHBondContact O-N 2.99Å
573F96.3Very high90.1Very high0 Ų043.9 Ų43.90%023%0.226CC..Hα-helixtrans-59.8-48173.2-167.7-72.4000111Y304 A307 K308 F326 L329 Q330 A569 K570 Q575 A576 W577Y304-F573 HydrophobicContact CD2-CB 3.82Å; Y304-F573 AromaticContact CD2-CD1 3.72Å; Y304-F573 HydrophobicContact CD2-CD1 3.72Å; Y304-F573 HydrophobicContact CD2-CD2 4.13Å; Y304-F573 HydrophobicContact CD2-CE1 4.35Å; Y304-F573 AromaticContact CD2-CG 3.61Å; Y304-F573 HydrophobicContact CD2-CG 3.61Å; Y304-F573 HydrophobicContact CE2-CB 4.1Å; Y304-F573 HydrophobicContact CE2-CD1 4.02Å; Y304-F573 AromaticContact CE2-CD2 3.66Å; Y304-F573 HydrophobicContact CE2-CD2 3.66Å; Y304-F573 HydrophobicContact CE2-CE1 4.41Å; Y304-F573 HydrophobicContact CE2-CE2 4.08Å; Y304-F573 AromaticContact CE2-CG 3.65Å; Y304-F573 HydrophobicContact CE2-CG 3.65Å; Y304-F573 HydrophobicContact CE2-CZ 4.44Å; A307-F573 HydrophobicContact CB-CD1 4.12Å; A307-F573 HydrophobicContact CB-CE1 3.84Å; K308-F573 HydrophobicContact CB-CE1 4.44Å; K308-F573 HydrophobicContact CB-CZ 4.26Å; F326-F573 HydrophobicContact CB-CE2 3.73Å; F326-F573 HydrophobicContact CB-CZ 4.1Å; F326-F573 HydrophobicContact CD1-CD1 4.14Å; F326-F573 AromaticContact CD1-CD2 3.73Å; F326-F573 HydrophobicContact CD1-CD2 3.73Å; F326-F573 AromaticContact CD1-CE1 3.82Å; F326-F573 HydrophobicContact CD1-CE1 3.82Å; F326-F573 AromaticContact CD1-CE2 3.38Å; F326-F573 HydrophobicContact CD1-CE2 3.38Å; F326-F573 HydrophobicContact CD1-CG 4.09Å; F326-F573 AromaticContact CD1-CZ 3.42Å; F326-F573 HydrophobicContact CD1-CZ 3.42Å; F326-F573 VanDerWaalsContact CD1-CZ 3.42Å; F326-F573 HydrophobicContact CE1-CD1 4.22Å; F326-F573 HydrophobicContact CE1-CE1 4.03Å; F326-F573 HydrophobicContact CE1-CE2 4.35Å; F326-F573 HydrophobicContact CE1-CG 4.45Å; F326-F573 HydrophobicContact CE1-CZ 4.09Å; F326-F573 AromaticContact CG-CE2 3.96Å; F326-F573 HydrophobicContact CG-CE2 3.96Å; F326-F573 HydrophobicContact CG-CZ 4.02Å; F326-F573 WeakPolarHBondContact O-CE2 3.39Å; L329-F573 HydrophobicContact CB-CD2 3.85Å; L329-F573 HydrophobicContact CD1-CB 3.98Å; L329-F573 HydrophobicContact CD1-CD2 4.16Å; L329-F573 HydrophobicContact CD1-CG 4.47Å; Q330-F573 HydrophobicContact CG-CD2 4.36Å; Q330-F573 HydrophobicContact CG-CE2 3.69Å; Q330-F573 HydrophobicContact CG-CZ 4.46Å; A569-F573 PolarHBondContact O-N 3.21Å; K570-F573 WeakPolarHBondContact O-CB 3.35Å; K570-F573 PolarHBondContact O-N 3.23Å; F573-Q575 PolarHBondContact O-N 3.25Å; F573-A576 PolarHBondContact O-N 3.41Å; F573-W577 WeakPolarHBondContact O-CB 3.47Å; F573-W577 PolarHBondContact O-N 3.11Å
574I95.2Very high90.7Very high2 Ų236.1 Ų36.11%0.0119%0.19CC..Hα-helixtrans-62.2-43.5178-65.7161.4000110.7L291 V300 L303 K570 M571 A576 W577 Q578L291-I574 HydrophobicContact CD2-CD1 4.36Å; L291-I574 HydrophobicContact CD2-CG2 4.49Å; V300-I574 HydrophobicContact CG1-CD1 3.99Å; L303-I574 HydrophobicContact CB-CD1 4.12Å; L303-I574 HydrophobicContact CD2-CD1 4.04Å; L303-I574 HydrophobicContact CD2-CG2 3.98Å; L303-I574 HydrophobicContact CG-CD1 3.98Å; L303-I574 HydrophobicContact CG-CG1 4.23Å; L303-I574 HydrophobicContact CG-CG2 4.35Å; K570-I574 WeakPolarHBondContact O-CG1 3.19Å; K570-I574 PolarHBondContact O-N 2.95Å; M571-I574 PolarHBondContact O-N 3.23Å; I574-A576 PolarHBondContact O-N 3.48Å; I574-W577 HydrophobicContact CG2-CE3 4.36Å; I574-W577 WeakPolarHBondContact O-CB 3.29Å; I574-W577 PolarHBondContact O-N 3.11Å; I574-Q578 HydrophobicContact CG2-CG 4.42Å; I574-Q578 WeakPolarHBondContact O-CB 3.38Å; I574-Q578 VanDerWaalsContact O-CG 3.26Å; I574-Q578 WeakPolarHBondContact O-CG 3.33Å; I574-Q578 PolarHBondContact O-N 3.21Å
575Q93.4Very high91.3Very high90 Ų9035.5 Ų35.542%0.42119%0.187SC..Hα-helixtrans-62.1-42177.1-74.4171.36.300112.4M571 R572 F573 Q578 S579M571-Q575 WeakPolarHBondContact O-CB 3.24Å; M571-Q575 VanDerWaalsContact O-CG 3.27Å; M571-Q575 WeakPolarHBondContact O-CG 3.42Å; M571-Q575 PolarHBondContact O-N 3Å; R572-Q575 PolarHBondContact O-N 3.43Å; F573-Q575 PolarHBondContact O-N 3.25Å; Q575-Q578 PolarHBondContact O-N 3.5Å; Q575-S579 PolarHBondContact O-N 3.29Å; Q575-S579 VanDerWaalsContact O-N 3.16Å
576A91.1Very high91.7Very high12 Ų1234.5 Ų34.510%0.09918%0.18CC..Hα-helixtrans-63.7-43.8175.400000111.3M325 F326 R572 F573 I574 Q578 S579M325-A576 HydrophobicContact CE-CB 3.41Å; M325-A576 VanDerWaalsContact CE-CB 3.41Å; M325-A576 HydrophobicContact SD-CB 4.35Å; F326-A576 HydrophobicContact CD1-CB 4.45Å; F326-A576 HydrophobicContact CE1-CB 3.6Å; F326-A576 HydrophobicContact CZ-CB 3.94Å; R572-A576 WeakPolarHBondContact O-CB 3.03Å; R572-A576 PolarHBondContact O-N 2.99Å; F573-A576 PolarHBondContact O-N 3.41Å; I574-A576 PolarHBondContact O-N 3.48Å; A576-Q578 VanDerWaalsContact C-N 3.32Å; A576-Q578 PolarHBondContact O-N 3.25Å; A576-S579 PolarHBondContact O-N 3.16Å; A576-S579 VanDerWaalsContact O-N 3.11Å; A576-S579 PolarHBondContact O-OG 2.96Å
577W95.6Very high92.2Very high2 Ų235.1 Ų35.11%0.00818%0.183CC..Hα-helixtrans-59.9-40.5173.9172.960000112.5H286 F288 L303 A307 I316 F326 F573 I574 S579 L580 F583H286-W577 AromaticContact CD2-CH2 3.53Å; H286-W577 AromaticContact CD2-CZ2 3.8Å; H286-W577 AromaticContact NE2-CH2 3.78Å; H286-W577 AromaticContact NE2-CZ2 3.81Å; F288-W577 HydrophobicContact CE2-CH2 4.44Å; F288-W577 AromaticContact CE2-CZ3 3.82Å; F288-W577 HydrophobicContact CE2-CZ3 3.82Å; F288-W577 HydrophobicContact CZ-CH2 4.14Å; F288-W577 AromaticContact CZ-CZ3 3.91Å; F288-W577 HydrophobicContact CZ-CZ3 3.91Å; L303-W577 HydrophobicContact CD1-CH2 4.3Å; L303-W577 HydrophobicContact CD1-CZ3 3.84Å; L303-W577 HydrophobicContact CG-CZ3 4.47Å; A307-W577 HydrophobicContact CB-CB 4.15Å; A307-W577 HydrophobicContact CB-CD2 3.5Å; A307-W577 VanDerWaalsContact CB-CD2 3.5Å; A307-W577 HydrophobicContact CB-CE3 3.65Å; A307-W577 HydrophobicContact CB-CG 3.72Å; A307-W577 HydrophobicContact CB-CZ3 4.19Å; I316-W577 HydrophobicContact CD1-CZ2 4.18Å; F326-W577 HydrophobicContact CE1-CB 4.29Å; F326-W577 HydrophobicContact CZ-CB 4.39Å; F573-W577 WeakPolarHBondContact O-CB 3.47Å; F573-W577 PolarHBondContact O-N 3.11Å; I574-W577 HydrophobicContact CG2-CE3 4.36Å; I574-W577 WeakPolarHBondContact O-CB 3.29Å; I574-W577 PolarHBondContact O-N 3.11Å; W577-S579 PolarHBondContact O-N 2.97Å; W577-L580 WeakPolarHBondContact O-CB 3.4Å; W577-L580 PolarHBondContact O-N 2.9Å; W577-F583 AromaticContact CD2-CD2 3.83Å; W577-F583 HydrophobicContact CD2-CD2 3.83Å; W577-F583 AromaticContact CD2-CE2 3.77Å; W577-F583 HydrophobicContact CD2-CE2 3.77Å; W577-F583 AromaticContact CE2-CD2 3.72Å; W577-F583 AromaticContact CE2-CE2 3.8Å; W577-F583 HydrophobicContact CE3-CD2 4.14Å; W577-F583 AromaticContact CE3-CE2 3.6Å; W577-F583 HydrophobicContact CE3-CE2 3.6Å; W577-F583 HydrophobicContact CG-CD2 4.35Å; W577-F583 HydrophobicContact CH2-CD2 4.31Å; W577-F583 AromaticContact CH2-CE2 3.59Å; W577-F583 HydrophobicContact CH2-CE2 3.59Å; W577-F583 AromaticContact CZ2-CD2 3.96Å; W577-F583 HydrophobicContact CZ2-CD2 3.96Å; W577-F583 AromaticContact CZ2-CE2 3.7Å; W577-F583 HydrophobicContact CZ2-CE2 3.7Å; W577-F583 HydrophobicContact CZ3-CD2 4.39Å; W577-F583 AromaticContact CZ3-CE2 3.52Å; W577-F583 HydrophobicContact CZ3-CE2 3.52Å; W577-F583 HydrophobicContact CZ3-CZ 4.37Å
578Q93.9Very high92.5Very high75 Ų7534.5 Ų34.535%0.3518%0.18SC..Hα-helixtrans-64.9-24175.4-74176.8-39.600114I574 Q575 A576 L580 F583I574-Q578 HydrophobicContact CG2-CG 4.42Å; I574-Q578 WeakPolarHBondContact O-CB 3.38Å; I574-Q578 VanDerWaalsContact O-CG 3.26Å; I574-Q578 WeakPolarHBondContact O-CG 3.33Å; I574-Q578 PolarHBondContact O-N 3.21Å; Q575-Q578 PolarHBondContact O-N 3.5Å; A576-Q578 VanDerWaalsContact C-N 3.32Å; A576-Q578 PolarHBondContact O-N 3.25Å; Q578-L580 VanDerWaalsContact C-N 3.32Å; Q578-F583 HydrophobicContact CB-CD1 4.3Å; Q578-F583 HydrophobicContact CB-CE1 4.2Å; Q578-F583 HydrophobicContact CB-CE2 4.44Å; Q578-F583 HydrophobicContact CB-CG 4.49Å; Q578-F583 HydrophobicContact CB-CZ 4.29Å; Q578-F583 HydrophobicContact CG-CD1 4.41Å; Q578-F583 HydrophobicContact CG-CD2 4.35Å; Q578-F583 HydrophobicContact CG-CE1 3.87Å; Q578-F583 HydrophobicContact CG-CE2 3.79Å; Q578-F583 HydrophobicContact CG-CZ 3.55Å; Q578-F583 WeakPolarHBondContact O-CD1 3.42Å
579S92.1Very high92.8Very high85 Ų8531.4 Ų31.459%0.59417%0.166SC*.THydrogen-bonded Turntrans-82.7-10.1-179.975.30000113.7Q575 A576 W577Q575-S579 PolarHBondContact O-N 3.29Å; Q575-S579 VanDerWaalsContact O-N 3.16Å; A576-S579 PolarHBondContact O-N 3.16Å; A576-S579 VanDerWaalsContact O-N 3.11Å; A576-S579 PolarHBondContact O-OG 2.96Å; W577-S579 PolarHBondContact O-N 2.97Å
580L92.1Very high93.1Very high5 Ų531.4 Ų31.43%0.02617%0.166CC..SBendtrans-67143.3179.5-63.5176.6000111.3I311 I316 C318 F326 W577 Q578 E582 F583I311-L580 HydrophobicContact CD1-CD1 3.48Å; I311-L580 VanDerWaalsContact CD1-CD1 3.48Å; I316-L580 HydrophobicContact CG2-CB 4.27Å; I316-L580 HydrophobicContact CG2-CD1 3.69Å; C318-L580 HydrophobicContact CB-CD1 4.22Å; C318-L580 HydrophobicContact CB-CD2 3.83Å; F326-L580 HydrophobicContact CE2-CD1 4.18Å; F326-L580 HydrophobicContact CE2-CD2 4.42Å; F326-L580 HydrophobicContact CZ-CD1 4.1Å; F326-L580 HydrophobicContact CZ-CG 4.49Å; W577-L580 WeakPolarHBondContact O-CB 3.4Å; W577-L580 PolarHBondContact O-N 2.9Å; Q578-L580 VanDerWaalsContact C-N 3.32Å; L580-E582 VanDerWaalsContact C-N 3.3Å; L580-E582 PolarHBondContact O-N 3.36Å; L580-F583 HydrophobicContact CB-CB 4.47Å; L580-F583 WeakPolarHBondContact O-CB 3.48Å; L580-F583 PolarHBondContact O-N 3.35Å
581P88.9Confident93.1Very high111 Ų11136.4 Ų36.472%0.72119%0.187SC*.THydrogen-bonded Turntrans-59.1-36-174.6-26.735.1000115F583P581-F583 VanDerWaalsContact C-N 3.33Å
582E88.8Confident93.2Very high48 Ų4835.4 Ų35.422%0.22418%0.182CC..THydrogen-bonded Turntrans-89.32.3-179.2-59.4-167.3150.500113.4I316 L580 G584 I585I316-E582 HydrophobicContact CG2-CB 4.5Å; L580-E582 VanDerWaalsContact C-N 3.3Å; L580-E582 PolarHBondContact O-N 3.36Å; E582-G584 PolarHBondContact O-N 3.19Å; E582-I585 PolarHBondContact O-N 3.14Å
583F93.1Very high93.1Very high30 Ų3037.2 Ų37.213%0.13220%0.195CC..THydrogen-bonded Turntrans-57.5131.1-178.7172-98.9000111.7H286 F288 W577 Q578 L580 P581 I585H286-F583 HydrophobicContact CB-CE1 4.2Å; H286-F583 HydrophobicContact CB-CE2 4.37Å; H286-F583 HydrophobicContact CB-CZ 3.78Å; H286-F583 AromaticContact CD2-CE2 3.74Å; F288-F583 HydrophobicContact CE2-CE2 4.41Å; F288-F583 AromaticContact CE2-CZ 3.96Å; F288-F583 HydrophobicContact CE2-CZ 3.96Å; W577-F583 AromaticContact CD2-CD2 3.83Å; W577-F583 HydrophobicContact CD2-CD2 3.83Å; W577-F583 AromaticContact CD2-CE2 3.77Å; W577-F583 HydrophobicContact CD2-CE2 3.77Å; W577-F583 AromaticContact CE2-CD2 3.72Å; W577-F583 AromaticContact CE2-CE2 3.8Å; W577-F583 HydrophobicContact CE3-CD2 4.14Å; W577-F583 AromaticContact CE3-CE2 3.6Å; W577-F583 HydrophobicContact CE3-CE2 3.6Å; W577-F583 HydrophobicContact CG-CD2 4.35Å; W577-F583 HydrophobicContact CH2-CD2 4.31Å; W577-F583 AromaticContact CH2-CE2 3.59Å; W577-F583 HydrophobicContact CH2-CE2 3.59Å; W577-F583 AromaticContact CZ2-CD2 3.96Å; W577-F583 HydrophobicContact CZ2-CD2 3.96Å; W577-F583 AromaticContact CZ2-CE2 3.7Å; W577-F583 HydrophobicContact CZ2-CE2 3.7Å; W577-F583 HydrophobicContact CZ3-CD2 4.39Å; W577-F583 AromaticContact CZ3-CE2 3.52Å; W577-F583 HydrophobicContact CZ3-CE2 3.52Å; W577-F583 HydrophobicContact CZ3-CZ 4.37Å; Q578-F583 HydrophobicContact CB-CD1 4.3Å; Q578-F583 HydrophobicContact CB-CE1 4.2Å; Q578-F583 HydrophobicContact CB-CE2 4.44Å; Q578-F583 HydrophobicContact CB-CG 4.49Å; Q578-F583 HydrophobicContact CB-CZ 4.29Å; Q578-F583 HydrophobicContact CG-CD1 4.41Å; Q578-F583 HydrophobicContact CG-CD2 4.35Å; Q578-F583 HydrophobicContact CG-CE1 3.87Å; Q578-F583 HydrophobicContact CG-CE2 3.79Å; Q578-F583 HydrophobicContact CG-CZ 3.55Å; Q578-F583 WeakPolarHBondContact O-CD1 3.42Å; L580-F583 HydrophobicContact CB-CB 4.47Å; L580-F583 WeakPolarHBondContact O-CB 3.48Å; L580-F583 PolarHBondContact O-N 3.35Å; P581-F583 VanDerWaalsContact C-N 3.33Å; F583-I585 VanDerWaalsContact C-N 3.28Å; F583-I585 PolarHBondContact O-N 3.4Å
584G92.6Very high92.4Very high3 Ų341.2 Ų41.23%0.03124%0.236CC..THydrogen-bonded Turntrans72.115.517300000115.4H286 E582 T604H286-G584 VanDerWaalsContact CB-CA 3.5Å; E582-G584 PolarHBondContact O-N 3.19Å; G584-T604 WeakPolarHBondContact O-CA 3.34Å
585I94.8Very high91.9Very high26 Ų2641.9 Ų41.913%0.13324%0.243CC..  trans-92.2113.5172-48.6179.9000109.7E582 F583 H587 T604 I609 M611E582-I585 PolarHBondContact O-N 3.14Å; F583-I585 VanDerWaalsContact C-N 3.28Å; F583-I585 PolarHBondContact O-N 3.4Å; I585-H587 WeakPolarHBondContact CG2-NE2 3.22Å; I585-T604 HydrophobicContact CB-CG2 4.34Å; I585-T604 HydrophobicContact CG1-CG2 3.81Å; I585-T604 HydrophobicContact CG2-CG2 4.46Å; I585-I609 HydrophobicContact CD1-CD1 4.26Å; I585-M611 HydrophobicContact CG2-SD 4.17Å
586T95.5Very high91.2Very high10 Ų1047.5 Ų47.56%0.06127%0.266CS..EExtended strand (participates in β ladder)trans-95.3117.4170.5-52.60000109.8N258 F588 G602 I603 F664N258-T586 HydrophobicContact CB-CG2 4.36Å; N258-T586 WeakPolarHBondContact ND2-CG2 3.44Å; T586-F588 HydrophobicContact CG2-CE2 3.6Å; T586-F588 HydrophobicContact CG2-CZ 3.62Å; T586-G602 CarbonylContact O-C 3.55Å; T586-G602 WeakPolarHBondContact O-CA 3.24Å; T586-I603 PolarHBondContact N-O 3.5Å; T586-I603 PolarHBondContact O-N 3.15Å; T586-F664 HydrophobicContact CG2-CE1 3.98Å; T586-F664 HydrophobicContact CG2-CE2 4.27Å; T586-F664 HydrophobicContact CG2-CZ 3.78Å
587H93.9Very high91Very high16 Ų1654.7 Ų54.77%0.07430%0.296CS..EExtended strand (participates in β ladder)trans-91.9137.1-174.6-55.195.6000112.5A255 N258 I585A255-H587 WeakPolarHBondContact CA-O 3.39Å; A255-H587 HydrophobicContact CB-CB 4Å; A255-H587 WeakPolarHBondContact CB-O 3.48Å; N258-H587 PolarHBondContact ND2-O 2.97Å; I585-H587 WeakPolarHBondContact CG2-NE2 3.22Å
588F94.9Very high90.7Very high0 Ų059.8 Ų59.80%032%0.32CS..EExtended strand (participates in β ladder)trans-131.8140.9170.4-57.3-88.5000110.7N258 T586 A590 L600 I601 I603 V656 V660 V661 F664N258-F588 HydrophobicContact CB-CD1 4.1Å; N258-F588 HydrophobicContact CB-CE1 3.55Å; N258-F588 HydrophobicContact CB-CZ 4.08Å; T586-F588 HydrophobicContact CG2-CE2 3.6Å; T586-F588 HydrophobicContact CG2-CZ 3.62Å; F588-A590 PolarHBondContact O-N 2.83Å; F588-L600 CarbonylContact O-C 3.59Å; F588-L600 WeakPolarHBondContact O-CA 3.38Å; F588-I601 HydrophobicContact CB-CG2 3.7Å; F588-I601 HydrophobicContact CD2-CG2 4.49Å; F588-I601 PolarHBondContact N-O 3.01Å; F588-I601 PolarHBondContact O-N 2.92Å; F588-I603 HydrophobicContact CD2-CD1 3.89Å; F588-I603 HydrophobicContact CD2-CG1 4.12Å; F588-I603 HydrophobicContact CE2-CD1 3.6Å; F588-I603 HydrophobicContact CE2-CG1 4.04Å; F588-V656 HydrophobicContact CD1-CB 4.21Å; F588-V656 HydrophobicContact CD1-CG1 3.96Å; F588-V656 HydrophobicContact CD1-CG2 4.01Å; F588-V656 HydrophobicContact CE1-CG1 4.12Å; F588-V660 HydrophobicContact CE1-CG1 3.81Å; F588-V660 HydrophobicContact CZ-CG1 4.16Å; F588-V661 HydrophobicContact CB-CG2 4.3Å; F588-V661 HydrophobicContact CD1-CG2 3.85Å; F588-V661 HydrophobicContact CD2-CG2 3.98Å; F588-V661 HydrophobicContact CE1-CG2 4.15Å; F588-V661 HydrophobicContact CE2-CG2 4.28Å; F588-V661 HydrophobicContact CG-CG2 3.77Å; F588-V661 HydrophobicContact CZ-CG2 4.37Å; F588-F664 HydrophobicContact CE1-CE2 4.48Å; F588-F664 HydrophobicContact CE2-CD2 4.19Å; F588-F664 HydrophobicContact CE2-CG 4.48Å; F588-F664 AromaticContact CZ-CD2 3.54Å; F588-F664 HydrophobicContact CZ-CD2 3.54Å; F588-F664 AromaticContact CZ-CE2 3.63Å; F588-F664 HydrophobicContact CZ-CE2 3.63Å; F588-F664 HydrophobicContact CZ-CG 4.25Å; F588-F664 HydrophobicContact CZ-CZ 4.4Å
589L93.7Very high90.7Very high9 Ų957.4 Ų57.45%0.04731%0.308CS..EExtended strand (participates in β ladder)trans-75.1120.6173.3-169.962.5000110.1L252 E598 L600 C653 A654 E655L252-L589 HydrophobicContact CD2-CD1 3.53Å; L589-E598 HydrophobicContact CD1-CB 3.93Å; L589-E598 HydrophobicContact CG-CB 4.42Å; L589-L600 HydrophobicContact CD1-CD2 4.31Å; L589-C653 WeakPolarHBondContact O-CA 3.45Å; L589-A654 HydrophobicContact CD2-CB 4.07Å; L589-A654 HydrophobicContact CG-CB 4.06Å; L589-A654 PolarHBondContact O-N 3.38Å; L589-E655 HydrophobicContact CD2-CG 4.24Å
590A93.7Very high90.8Very high0 Ų053.4 Ų53.40%028%0.28CS..EExtended strand (participates in β ladder)trans-137.4150-173.200000112.9F588 F592 E599 I601 F651 I652F588-A590 PolarHBondContact O-N 2.83Å; A590-F592 HydrophobicContact CB-CE2 4.15Å; A590-F592 HydrophobicContact CB-CZ 4.46Å; A590-E599 PolarHBondContact N-O 3.48Å; A590-E599 PolarHBondContact O-N 3.42Å; A590-I601 HydrophobicContact CB-CB 4.11Å; A590-I601 HydrophobicContact CB-CG2 3.66Å; A590-F651 HydrophobicContact CB-CB 4.44Å; A590-F651 HydrophobicContact CB-CD2 3.87Å; A590-F651 HydrophobicContact CB-CG 4.49Å; A590-I652 CarbonylContact C-O 3.54Å; A590-I652 WeakPolarHBondContact CA-O 3.34Å
591K93.3Very high91Very high107 Ų10753.1 Ų53.147%0.46528%0.279SS..EExtended strand (participates in β ladder)trans-111.6112.2171.2-172175.9-176.91760109.1F651 I652K591-F651 WeakPolarHBondContact O-CA 3.4Å; K591-I652 PolarHBondContact N-O 3Å; K591-I652 PolarHBondContact O-N 3.4Å
592F93.9Very high91.3Very high7 Ų747.9 Ų47.93%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-80.5149.6-179.6-64.4-96.3000111.4A590 G594 G595 E599 I601 R610 L649 F651A590-F592 HydrophobicContact CB-CE2 4.15Å; A590-F592 HydrophobicContact CB-CZ 4.46Å; F592-G594 PolarHBondContact O-N 2.87Å; F592-G595 WeakPolarHBondContact O-CA 3.44Å; F592-G595 PolarHBondContact O-N 2.78Å; F592-E599 HydrophobicContact CD2-CB 4Å; F592-E599 WeakPolarHBondContact CD2-OE2 3.26Å; F592-E599 HydrophobicContact CE2-CB 3.81Å; F592-I601 HydrophobicContact CE1-CD1 4.17Å; F592-I601 HydrophobicContact CZ-CB 3.98Å; F592-I601 HydrophobicContact CZ-CD1 4.07Å; F592-R610 HydrophobicContact CD1-CG 4.4Å; F592-R610 HydrophobicContact CD2-CG 4.23Å; F592-R610 HydrophobicContact CE1-CB 3.93Å; F592-R610 HydrophobicContact CE1-CG 3.9Å; F592-R610 HydrophobicContact CE2-CB 4.42Å; F592-R610 HydrophobicContact CE2-CG 3.74Å; F592-R610 HydrophobicContact CZ-CB 3.75Å; F592-R610 HydrophobicContact CZ-CG 3.54Å; F592-L649 HydrophobicContact CD1-CD1 3.64Å; F592-L649 HydrophobicContact CE1-CD1 3.7Å; F592-F651 HydrophobicContact CD1-CB 3.93Å; F592-F651 HydrophobicContact CE1-CB 4.23Å; F592-F651 HydrophobicContact CE1-CG 4.5Å; F592-F651 HydrophobicContact CG-CB 4.28Å
593Q88.9Confident91.7Very high144 Ų14445.6 Ų45.667%0.67323%0.234SC*.THydrogen-bonded Turntrans-58.6128.4176.3-170.6177.64.900110.9G595 S650Q593-G595 PolarHBondContact O-N 2.69Å; Q593-S650 PolarHBondContact N-O 3.35Å
594G81.9Confident91.8Very high83 Ų8344.3 Ų44.386%0.85623%0.228SC*.THydrogen-bonded Turntrans80.8-8-174.700000114.9F592F592-G594 PolarHBondContact O-N 2.87Å
595G83.1Confident91.9Very high16 Ų1649.7 Ų49.717%0.16525%0.249CC..  trans-80.3132.3174.700000112.5F592 Q593F592-G595 WeakPolarHBondContact O-CA 3.44Å; F592-G595 PolarHBondContact O-N 2.78Å; Q593-G595 PolarHBondContact O-N 2.69Å
596K79.1Confident91.9Very high208 Ų20851 Ų5190%0.90426%0.256SS*.SBendtrans-88-21.6173-68.9-173.9179.4-179.80113.3
597K87.3Confident91.9Very high164 Ų16454.9 Ų54.971%0.71327%0.27SS*.SBendtrans-107.1154-177.2-64.4-176.9178.6-178.30110.6
598E89Confident92Very high109 Ų10954.1 Ų54.151%0.50927%0.266SS..  trans-76.5138.1166.7-64.7-179.4164.100109.3L589L589-E598 HydrophobicContact CD1-CB 3.93Å; L589-E598 HydrophobicContact CG-CB 4.42Å
599E93.6Very high92.1Very high25 Ų2554.5 Ų54.512%0.11727%0.268CS..EExtended strand (participates in β ladder)trans-136.9-179.7-175.6-70.4169.9173.500108.4A590 F592 R610A590-E599 PolarHBondContact N-O 3.48Å; A590-E599 PolarHBondContact O-N 3.42Å; F592-E599 HydrophobicContact CD2-CB 4Å; F592-E599 WeakPolarHBondContact CD2-OE2 3.26Å; F592-E599 HydrophobicContact CE2-CB 3.81Å; E599-R610 IonicContact OE1-CZ 3.76Å; E599-R610 IonicContact OE1-NE 3.85Å; E599-R610 IonicContact OE1-NH2 2.85Å; E599-R610 PolarHBondContact OE1-NH2 3.24Å; E599-R610 IonicContact OE2-CZ 3.09Å; E599-R610 IonicContact OE2-NE 2.64Å; E599-R610 PolarHBondContact OE2-NE 2.96Å; E599-R610 IonicContact OE2-NH2 2.76Å; E599-R610 PolarHBondContact OE2-NH2 2.62Å
600L94.4Very high92.2Very high0 Ų057 Ų570%028%0.277CS..EExtended strand (participates in β ladder)trans-105.6141.6177.7-68.5173.1000111.2L251 L252 A255 F588 L589 R610 M611 A613L251-L600 HydrophobicContact CB-CD1 4.05Å; L252-L600 HydrophobicContact CD2-CD2 4.31Å; A255-L600 HydrophobicContact CB-CD2 4.01Å; F588-L600 CarbonylContact O-C 3.59Å; F588-L600 WeakPolarHBondContact O-CA 3.38Å; L589-L600 HydrophobicContact CD1-CD2 4.31Å; L600-R610 WeakPolarHBondContact O-CA 3.44Å; L600-M611 HydrophobicContact CB-CB 4.07Å; L600-M611 PolarHBondContact N-O 2.92Å; L600-M611 PolarHBondContact O-N 3.37Å; L600-A613 HydrophobicContact CG-CB 4.33Å
601I95.9Very high92.2Very high0 Ų057.5 Ų57.50%028%0.279CS..EExtended strand (participates in β ladder)trans-107.6112.5161.2-174.565.2000107.9F588 A590 F592 L608 I609 L649 F651F588-I601 HydrophobicContact CB-CG2 3.7Å; F588-I601 HydrophobicContact CD2-CG2 4.49Å; F588-I601 PolarHBondContact N-O 3.01Å; F588-I601 PolarHBondContact O-N 2.92Å; A590-I601 HydrophobicContact CB-CB 4.11Å; A590-I601 HydrophobicContact CB-CG2 3.66Å; F592-I601 HydrophobicContact CE1-CD1 4.17Å; F592-I601 HydrophobicContact CZ-CB 3.98Å; F592-I601 HydrophobicContact CZ-CD1 4.07Å; I601-L608 HydrophobicContact CD1-CB 4.16Å; I601-I609 CarbonylContact C-O 3.24Å; I601-I609 WeakPolarHBondContact CA-O 3.24Å; I601-L649 HydrophobicContact CD1-CD2 4.45Å; I601-F651 HydrophobicContact CG1-CE1 4.44Å; I601-F651 HydrophobicContact CG1-CE2 4.32Å; I601-F651 HydrophobicContact CG1-CZ 4.11Å; I601-F651 HydrophobicContact CG2-CD2 4.28Å; I601-F651 HydrophobicContact CG2-CE2 3.91Å; I601-F651 HydrophobicContact CG2-CZ 4.48Å
602G96.1Very high92.1Very high0 Ų054.8 Ų54.80%027%0.27CS..EExtended strand (participates in β ladder)trans-88.7129.3170.600000110.2T586 L608 I609T586-G602 CarbonylContact O-C 3.55Å; T586-G602 WeakPolarHBondContact O-CA 3.24Å; G602-L608 CarbonylContact O-C 3.53Å; G602-L608 WeakPolarHBondContact O-CA 3.31Å; G602-I609 PolarHBondContact N-O 2.93Å; G602-I609 PolarHBondContact O-N 3.01Å
603I97.1Very high91.9Very high0 Ų054.8 Ų54.80%027%0.271CS..EExtended strand (participates in β ladder)trans-111.9126.7174.5-49.9-179.2000108.2T586 F588 L608 F624 V661 F664 I665 Y668T586-I603 PolarHBondContact N-O 3.5Å; T586-I603 PolarHBondContact O-N 3.15Å; F588-I603 HydrophobicContact CD2-CD1 3.89Å; F588-I603 HydrophobicContact CD2-CG1 4.12Å; F588-I603 HydrophobicContact CE2-CD1 3.6Å; F588-I603 HydrophobicContact CE2-CG1 4.04Å; I603-L608 HydrophobicContact CB-CD2 4.29Å; I603-L608 HydrophobicContact CG1-CD2 3.9Å; I603-L608 HydrophobicContact CG2-CD2 3.96Å; I603-F624 HydrophobicContact CG2-CZ 4.29Å; I603-V661 HydrophobicContact CD1-CB 4.4Å; I603-V661 HydrophobicContact CD1-CG1 3.81Å; I603-F664 HydrophobicContact CD1-CB 3.81Å; I603-F664 HydrophobicContact CG2-CB 4.32Å; I603-I665 HydrophobicContact CD1-CG1 4.5Å; I603-Y668 HydrophobicContact CG2-CD2 3.83Å; I603-Y668 HydrophobicContact CG2-CE2 3.91Å
604T96.1Very high91.8Very high3 Ų355.5 Ų55.52%0.01827%0.274CS..  trans-120.3178.3172.482.80000110.5G584 I585 N606 R607 I609 Y668G584-T604 WeakPolarHBondContact O-CA 3.34Å; I585-T604 HydrophobicContact CB-CG2 4.34Å; I585-T604 HydrophobicContact CG1-CG2 3.81Å; I585-T604 HydrophobicContact CG2-CG2 4.46Å; T604-N606 PolarHBondContact O-N 3.21Å; T604-N606 VanDerWaalsContact O-N 3.11Å; T604-N606 PolarHBondContact OG1-N 2.9Å; T604-N606 PolarHBondContact OG1-OD1 3.32Å; T604-R607 HydrophobicContact CG2-CG 4.11Å; T604-R607 PolarHBondContact N-O 3.23Å; T604-R607 WeakPolarHBondContact OG1-CG 3.24Å; T604-R607 PolarHBondContact OG1-N 3.49Å; T604-R607 PolarHBondContact OG1-O 2.97Å; T604-I609 HydrophobicContact CG2-CD1 3.94Å; T604-Y668 WeakPolarHBondContact O-CD2 3.41Å
605Y94.3Very high92Very high117 Ų11755.6 Ų55.646%0.45926%0.258SS..SBendtrans-60.3-20.7179.677.7-90.1000115.3Y668Y605-Y668 VanDerWaalsContact CA-CD1 3.42Å
606N93.9Very high92.1Very high54 Ų5455.3 Ų55.329%0.28926%0.255SS..SBendtrans-137.10.5-175.465.2-3.5000115.3T604 F624T604-N606 PolarHBondContact O-N 3.21Å; T604-N606 VanDerWaalsContact O-N 3.11Å; T604-N606 PolarHBondContact OG1-N 2.9Å; T604-N606 PolarHBondContact OG1-OD1 3.32Å; N606-F624 WeakPolarHBondContact O-CB 3.34Å; N606-F624 PolarHBondContact O-N 3.47Å
607R95.1Very high92.6Very high91 Ų9150.4 Ų50.434%0.34324%0.239SC..EExtended strand (participates in β ladder)trans-153.6154.8-177.256.6-179.1-179.8-116.66.8113.3T604 I609 T621 W622T604-R607 HydrophobicContact CG2-CG 4.11Å; T604-R607 PolarHBondContact N-O 3.23Å; T604-R607 WeakPolarHBondContact OG1-CG 3.24Å; T604-R607 PolarHBondContact OG1-N 3.49Å; T604-R607 PolarHBondContact OG1-O 2.97Å; R607-I609 HydrophobicContact CG-CD1 4.3Å; R607-I609 HydrophobicContact CG-CG1 4.11Å; R607-T621 HydrophobicContact CB-CG2 4.01Å; R607-T621 HydrophobicContact CG-CG2 4.31Å; R607-W622 CarbonylContact C-O 3.59Å; R607-W622 WeakPolarHBondContact CA-O 3.28Å; R607-W622 WeakPolarHBondContact CB-O 3.37Å
608L97.2Very high92.9Very high0 Ų045.8 Ų45.80%023%0.232CC..EExtended strand (participates in β ladder)trans-100.8139.9163-59.5-179.9000108.6I601 G602 I603 T621 W622 F624 M627 V641 L649 I665I601-L608 HydrophobicContact CD1-CB 4.16Å; G602-L608 CarbonylContact O-C 3.53Å; G602-L608 WeakPolarHBondContact O-CA 3.31Å; I603-L608 HydrophobicContact CB-CD2 4.29Å; I603-L608 HydrophobicContact CG1-CD2 3.9Å; I603-L608 HydrophobicContact CG2-CD2 3.96Å; L608-T621 CarbonylContact O-C 3.59Å; L608-T621 WeakPolarHBondContact O-CA 3.47Å; L608-W622 HydrophobicContact CB-CB 4.48Å; L608-W622 HydrophobicContact CB-CE3 4.41Å; L608-W622 PolarHBondContact N-O 3.08Å; L608-W622 PolarHBondContact O-N 2.87Å; L608-F624 HydrophobicContact CD2-CE1 3.73Å; L608-F624 HydrophobicContact CD2-CZ 4.18Å; L608-F624 HydrophobicContact CG-CD1 4.49Å; L608-F624 HydrophobicContact CG-CE1 3.74Å; L608-M627 HydrophobicContact CD1-CE 4.27Å; L608-V641 HydrophobicContact CD1-CG1 4.39Å; L608-V641 HydrophobicContact CD1-CG2 3.96Å; L608-L649 HydrophobicContact CB-CD2 4.45Å; L608-L649 HydrophobicContact CD1-CD2 3.89Å; L608-I665 HydrophobicContact CD2-CG1 4.31Å
609I96.4Very high93.1Very high7 Ų744.7 Ų44.74%0.03623%0.228CC..EExtended strand (participates in β ladder)trans-131.5120-177-44.7176.1000108.8I585 I601 G602 T604 R607 M611 A618 K620 T621I585-I609 HydrophobicContact CD1-CD1 4.26Å; I601-I609 CarbonylContact C-O 3.24Å; I601-I609 WeakPolarHBondContact CA-O 3.24Å; G602-I609 PolarHBondContact N-O 2.93Å; G602-I609 PolarHBondContact O-N 3.01Å; T604-I609 HydrophobicContact CG2-CD1 3.94Å; R607-I609 HydrophobicContact CG-CD1 4.3Å; R607-I609 HydrophobicContact CG-CG1 4.11Å; I609-M611 HydrophobicContact CB-CG 4.1Å; I609-M611 HydrophobicContact CB-SD 4.19Å; I609-M611 HydrophobicContact CG2-CG 3.52Å; I609-M611 HydrophobicContact CG2-SD 4.05Å; I609-A618 HydrophobicContact CG2-CB 3.71Å; I609-K620 CarbonylContact C-O 3.57Å; I609-K620 WeakPolarHBondContact CA-O 3.42Å; I609-T621 HydrophobicContact CG1-CG2 4.42Å
610R95.4Very high93.1Very high63 Ų6347.1 Ų47.124%0.23824%0.238CC..EExtended strand (participates in β ladder)trans-83.7125.3167.4174176.8-177-165.3-1.9107.9F592 E599 L600 I619 K620 W622F592-R610 HydrophobicContact CD1-CG 4.4Å; F592-R610 HydrophobicContact CD2-CG 4.23Å; F592-R610 HydrophobicContact CE1-CB 3.93Å; F592-R610 HydrophobicContact CE1-CG 3.9Å; F592-R610 HydrophobicContact CE2-CB 4.42Å; F592-R610 HydrophobicContact CE2-CG 3.74Å; F592-R610 HydrophobicContact CZ-CB 3.75Å; F592-R610 HydrophobicContact CZ-CG 3.54Å; E599-R610 IonicContact OE1-CZ 3.76Å; E599-R610 IonicContact OE1-NE 3.85Å; E599-R610 IonicContact OE1-NH2 2.85Å; E599-R610 PolarHBondContact OE1-NH2 3.24Å; E599-R610 IonicContact OE2-CZ 3.09Å; E599-R610 IonicContact OE2-NE 2.64Å; E599-R610 PolarHBondContact OE2-NE 2.96Å; E599-R610 IonicContact OE2-NH2 2.76Å; E599-R610 PolarHBondContact OE2-NH2 2.62Å; L600-R610 WeakPolarHBondContact O-CA 3.44Å; R610-I619 HydrophobicContact CG-CB 4.24Å; R610-I619 HydrophobicContact CG-CD1 4.35Å; R610-I619 WeakPolarHBondContact O-CA 3.41Å; R610-I619 WeakPolarHBondContact O-CB 3.45Å; R610-I619 PolarHBondContact O-N 2.95Å; R610-K620 PolarHBondContact N-O 3.43Å; R610-K620 PolarHBondContact O-N 2.99Å; R610-W622 HydrophobicContact CB-CH2 3.74Å; R610-W622 HydrophobicContact CB-CZ3 3.53Å
611M94.3Very high93.1Very high9 Ų950 Ų504%0.04426%0.256CS..EExtended strand (participates in β ladder)trans-130.5150.3-171.1-58.4166.973.200110.7I585 L600 I609 G616 D617I585-M611 HydrophobicContact CG2-SD 4.17Å; L600-M611 HydrophobicContact CB-CB 4.07Å; L600-M611 PolarHBondContact N-O 2.92Å; L600-M611 PolarHBondContact O-N 3.37Å; I609-M611 HydrophobicContact CB-CG 4.1Å; I609-M611 HydrophobicContact CB-SD 4.19Å; I609-M611 HydrophobicContact CG2-CG 3.52Å; I609-M611 HydrophobicContact CG2-SD 4.05Å; M611-G616 WeakPolarHBondContact CE-O 3.46Å; M611-D617 CarbonylContact C-O 3.55Å; M611-D617 VanDerWaalsContact CA-O 3.24Å; M611-D617 WeakPolarHBondContact CA-O 3.4Å
612D91.9Very high93.1Very high51 Ų5150.6 Ų50.627%0.27326%0.258SS..  trans-68.3136.4170.7-175.4-90.3000110.3H614 T615 G616 D617 I619D612-H614 VanDerWaalsContact C-N 3.3Å; D612-H614 PolarHBondContact O-N 3Å; D612-H614 WeakPolarHBondContact OD1-CA 3.26Å; D612-H614 WeakPolarHBondContact OD1-CB 3.22Å; D612-H614 PolarHBondContact OD1-N 3.24Å; D612-H614 IonicContact OD1-ND1 3.93Å; D612-T615 WeakPolarHBondContact CB-OG1 3.25Å; D612-T615 PolarHBondContact OD1-N 2.91Å; D612-G616 WeakPolarHBondContact O-CA 3.24Å; D612-G616 PolarHBondContact O-N 3.07Å; D612-D617 PolarHBondContact N-O 2.92Å; D612-I619 HydrophobicContact CB-CD1 4.31Å
613A89Confident93Very high6 Ų658.7 Ų58.75%0.0529%0.289CS..THydrogen-bonded Turntrans-70.5-22.2-175.400000114.6L252 L600L252-A613 HydrophobicContact CD2-CB 4.06Å; L600-A613 HydrophobicContact CG-CB 4.33Å
614H86.8Confident92.9Very high160 Ų16060 Ų6074%0.74129%0.294SS*.THydrogen-bonded Turntrans-102-42.9-176.1-58.685000111.9D612D612-H614 VanDerWaalsContact C-N 3.3Å; D612-H614 PolarHBondContact O-N 3Å; D612-H614 WeakPolarHBondContact OD1-CA 3.26Å; D612-H614 WeakPolarHBondContact OD1-CB 3.22Å; D612-H614 PolarHBondContact OD1-N 3.24Å; D612-H614 IonicContact OD1-ND1 3.93Å
615T85.8Confident92.7Very high84 Ų8464.3 Ų64.352%0.51533%0.325SS..THydrogen-bonded Turntrans-90.1-24.4-178.4700000113.1D612 D617D612-T615 WeakPolarHBondContact CB-OG1 3.25Å; D612-T615 PolarHBondContact OD1-N 2.91Å; T615-D617 WeakPolarHBondContact CB-OD2 3.38Å; T615-D617 PolarHBondContact O-N 3.07Å; T615-D617 WeakPolarHBondContact OG1-CB 3.48Å; T615-D617 VanDerWaalsContact OG1-CG 3.23Å; T615-D617 PolarHBondContact OG1-N 3.4Å; T615-D617 PolarHBondContact OG1-OD2 2.95Å
616G85.8Confident92.7Very high11 Ų1161.9 Ų61.911%0.11332%0.32CS..  trans75.44.7-17200000113.7L251 M611 D612L251-G616 VanDerWaalsContact CD1-CA 3.43Å; M611-G616 WeakPolarHBondContact CE-O 3.46Å; D612-G616 WeakPolarHBondContact O-CA 3.24Å; D612-G616 PolarHBondContact O-N 3.07Å
617D89.5Confident92.7Very high104 Ų10460.7 Ų60.756%0.55631%0.313SS*.  trans-69.5139.1-178.8-65.3-46.5000111.4M611 D612 T615 I619M611-D617 CarbonylContact C-O 3.55Å; M611-D617 VanDerWaalsContact CA-O 3.24Å; M611-D617 WeakPolarHBondContact CA-O 3.4Å; D612-D617 PolarHBondContact N-O 2.92Å; T615-D617 WeakPolarHBondContact CB-OD2 3.38Å; T615-D617 PolarHBondContact O-N 3.07Å; T615-D617 WeakPolarHBondContact OG1-CB 3.48Å; T615-D617 VanDerWaalsContact OG1-CG 3.23Å; T615-D617 PolarHBondContact OG1-N 3.4Å; T615-D617 PolarHBondContact OG1-OD2 2.95Å; D617-I619 PolarHBondContact O-N 2.71Å
618A92.9Very high92.6Very high68 Ų6863.2 Ų63.256%0.56233%0.327SS*.EExtended strand (participates in β ladder)trans-70.6117.3175.600000111I609I609-A618 HydrophobicContact CG2-CB 3.71Å
619I93.8Very high92.4Very high85 Ų8568.2 Ų68.244%0.43635%0.35SS..EExtended strand (participates in β ladder)trans-85.3-47.2176.2-58.7170.9000110.2R610 D612 D617R610-I619 HydrophobicContact CG-CB 4.24Å; R610-I619 HydrophobicContact CG-CD1 4.35Å; R610-I619 WeakPolarHBondContact O-CA 3.41Å; R610-I619 WeakPolarHBondContact O-CB 3.45Å; R610-I619 PolarHBondContact O-N 2.95Å; D612-I619 HydrophobicContact CB-CD1 4.31Å; D617-I619 PolarHBondContact O-N 2.71Å
620K93.4Very high92.3Very high77 Ų7770.2 Ų70.234%0.33536%0.357SS..EExtended strand (participates in β ladder)trans-151.9145.7178.4-175.7166.5176-174.60111.1I609 R610 W622 E646I609-K620 CarbonylContact C-O 3.57Å; I609-K620 WeakPolarHBondContact CA-O 3.42Å; R610-K620 PolarHBondContact N-O 3.43Å; R610-K620 PolarHBondContact O-N 2.99Å; K620-W622 HydrophobicContact CB-CH2 3.76Å; K620-W622 HydrophobicContact CB-CZ2 4.22Å; K620-W622 HydrophobicContact CB-CZ3 4.05Å; K620-W622 HydrophobicContact CD-CH2 3.92Å; K620-W622 HydrophobicContact CD-CZ2 3.43Å; K620-W622 VanDerWaalsContact CD-CZ2 3.43Å; K620-W622 HydrophobicContact CG-CD2 4.32Å; K620-W622 HydrophobicContact CG-CE3 4.36Å; K620-W622 HydrophobicContact CG-CH2 3.74Å; K620-W622 HydrophobicContact CG-CZ2 3.7Å; K620-W622 HydrophobicContact CG-CZ3 4.08Å; K620-W622 WeakPolarHBondContact O-CZ3 3.49Å; K620-E646 VanDerWaalsContact CE-OE2 3.23Å; K620-E646 WeakPolarHBondContact CE-OE2 3.31Å; K620-E646 IonicContact NZ-OE2 2.81Å; K620-E646 PolarHBondContact NZ-OE2 3.43Å
621T95.3Very high92.2Very high60 Ų6072.4 Ų72.437%0.36837%0.373SS..EExtended strand (participates in β ladder)trans-126.5135.5-177.9-61.30000110.7R607 L608 I609R607-T621 HydrophobicContact CB-CG2 4.01Å; R607-T621 HydrophobicContact CG-CG2 4.31Å; L608-T621 CarbonylContact O-C 3.59Å; L608-T621 WeakPolarHBondContact O-CA 3.47Å; I609-T621 HydrophobicContact CG1-CG2 4.42Å
622W95.8Very high92.1Very high12 Ų1272.4 Ų72.45%0.04537%0.374CS..EExtended strand (participates in β ladder)trans-121.5134.2174.4-59.6-100000110.3R607 L608 R610 K620 F643 L649R607-W622 CarbonylContact C-O 3.59Å; R607-W622 WeakPolarHBondContact CA-O 3.28Å; R607-W622 WeakPolarHBondContact CB-O 3.37Å; L608-W622 HydrophobicContact CB-CB 4.48Å; L608-W622 HydrophobicContact CB-CE3 4.41Å; L608-W622 PolarHBondContact N-O 3.08Å; L608-W622 PolarHBondContact O-N 2.87Å; R610-W622 HydrophobicContact CB-CH2 3.74Å; R610-W622 HydrophobicContact CB-CZ3 3.53Å; K620-W622 HydrophobicContact CB-CH2 3.76Å; K620-W622 HydrophobicContact CB-CZ2 4.22Å; K620-W622 HydrophobicContact CB-CZ3 4.05Å; K620-W622 HydrophobicContact CD-CH2 3.92Å; K620-W622 HydrophobicContact CD-CZ2 3.43Å; K620-W622 VanDerWaalsContact CD-CZ2 3.43Å; K620-W622 HydrophobicContact CG-CD2 4.32Å; K620-W622 HydrophobicContact CG-CE3 4.36Å; K620-W622 HydrophobicContact CG-CH2 3.74Å; K620-W622 HydrophobicContact CG-CZ2 3.7Å; K620-W622 HydrophobicContact CG-CZ3 4.08Å; K620-W622 WeakPolarHBondContact O-CZ3 3.49Å; W622-F643 HydrophobicContact CB-CD1 4.45Å; W622-F643 HydrophobicContact CB-CE1 3.67Å; W622-F643 HydrophobicContact CB-CE2 3.97Å; W622-F643 HydrophobicContact CB-CZ 3.38Å; W622-F643 AromaticContact CD1-CD2 3.64Å; W622-F643 AromaticContact CD1-CE2 3.31Å; W622-F643 AromaticContact CD1-CZ 3.7Å; W622-F643 HydrophobicContact CG-CD2 4.42Å; W622-F643 HydrophobicContact CG-CE1 4.32Å; W622-F643 AromaticContact CG-CE2 3.73Å; W622-F643 HydrophobicContact CG-CE2 3.73Å; W622-F643 AromaticContact CG-CZ 3.67Å; W622-F643 HydrophobicContact CG-CZ 3.67Å; W622-F643 AromaticContact NE1-CE2 3.94Å; W622-L649 HydrophobicContact CD2-CD2 4Å; W622-L649 HydrophobicContact CE3-CD2 3.9Å; W622-L649 HydrophobicContact CH2-CD1 3.84Å; W622-L649 HydrophobicContact CH2-CD2 4.3Å; W622-L649 HydrophobicContact CZ2-CB 4.42Å; W622-L649 HydrophobicContact CZ2-CD1 3.87Å; W622-L649 HydrophobicContact CZ2-CD2 4.36Å; W622-L649 HydrophobicContact CZ2-CG 4.44Å; W622-L649 HydrophobicContact CZ3-CD1 4.36Å; W622-L649 HydrophobicContact CZ3-CD2 4.07Å
623R94.3Very high92Very high170 Ų17073.3 Ų73.364%0.64238%0.379SS*.EExtended strand (participates in β ladder)trans-93140.8-178-63.9-174.8179.3-174.9-0.4111.8S625 N626R623-S625 PolarHBondContact O-N 2.85Å; R623-N626 PolarHBondContact O-N 2.75Å; R623-N626 VanDerWaalsContact O-N 3.15Å
624F93.3Very high91.9Very high27 Ų2778.8 Ų78.812%0.11840%0.398CS..G310 helixtrans-63.7-30.3175.9-80.631.9000111.7I603 N606 L608 N626 M627 I669I603-F624 HydrophobicContact CG2-CZ 4.29Å; N606-F624 WeakPolarHBondContact O-CB 3.34Å; N606-F624 PolarHBondContact O-N 3.47Å; L608-F624 HydrophobicContact CD2-CE1 3.73Å; L608-F624 HydrophobicContact CD2-CZ 4.18Å; L608-F624 HydrophobicContact CG-CD1 4.49Å; L608-F624 HydrophobicContact CG-CE1 3.74Å; F624-N626 PolarHBondContact O-N 3.42Å; F624-N626 VanDerWaalsContact O-N 3.11Å; F624-M627 HydrophobicContact CD1-CE 3.79Å; F624-M627 HydrophobicContact CE1-CE 3.94Å; F624-M627 HydrophobicContact CG-CE 4.16Å; F624-M627 HydrophobicContact CZ-CE 4.38Å; F624-M627 VanDerWaalsContact O-CB 3.23Å; F624-M627 WeakPolarHBondContact O-CB 3.5Å; F624-M627 PolarHBondContact O-N 3.03Å; F624-I669 HydrophobicContact CD2-CG1 3.98Å; F624-I669 HydrophobicContact CE2-CG1 4.15Å
625S92.6Very high92Very high95 Ų9579.7 Ų79.766%0.66440%0.403SS*.G310 helixtrans-57.4-25.9175.160.90000113.9R623R623-S625 PolarHBondContact O-N 2.85Å
626N93.8Very high92.1Very high65 Ų6580 Ų8035%0.34840%0.4SS..G310 helixtrans-101.6-0.7-178.7-62.411.2000111.6R623 F624 F643 A644R623-N626 PolarHBondContact O-N 2.75Å; R623-N626 VanDerWaalsContact O-N 3.15Å; F624-N626 PolarHBondContact O-N 3.42Å; F624-N626 VanDerWaalsContact O-N 3.11Å; N626-F643 HydrophobicContact CB-CD1 4.47Å; N626-F643 CarbonylContact O-C 3.55Å; N626-F643 VanDerWaalsContact O-CA 3.23Å; N626-F643 WeakPolarHBondContact O-CA 3.17Å; N626-A644 PolarHBondContact O-N 3.24Å
627M94.1Very high92.3Very high30 Ų3084.4 Ų84.415%0.14842%0.416CS..EExtended strand (participates in β ladder)trans-75.6128.9-179.9-171.1-173-68.900109.3L608 F624 W630 V641 F643 I665 I669L608-M627 HydrophobicContact CD1-CE 4.27Å; F624-M627 HydrophobicContact CD1-CE 3.79Å; F624-M627 HydrophobicContact CE1-CE 3.94Å; F624-M627 HydrophobicContact CG-CE 4.16Å; F624-M627 HydrophobicContact CZ-CE 4.38Å; F624-M627 VanDerWaalsContact O-CB 3.23Å; F624-M627 WeakPolarHBondContact O-CB 3.5Å; F624-M627 PolarHBondContact O-N 3.03Å; M627-W630 HydrophobicContact SD-CE3 4.17Å; M627-V641 HydrophobicContact CE-CG1 3.67Å; M627-V641 HydrophobicContact CG-CG1 3.71Å; M627-V641 HydrophobicContact SD-CG1 3.98Å; M627-F643 HydrophobicContact CB-CD1 4.22Å; M627-F643 HydrophobicContact CB-CE1 4.08Å; M627-F643 HydrophobicContact CG-CE1 4.36Å; M627-I665 HydrophobicContact CE-CG2 4.08Å; M627-I665 HydrophobicContact SD-CG2 4.14Å; M627-I669 HydrophobicContact SD-CD1 4.09Å
628K94.1Very high92.5Very high144 Ų14481.5 Ų81.563%0.62640%0.4SS*.EExtended strand (participates in β ladder)trans-90.8-51174.8-74.5174.6166.3158.20110.9E642 A644K628-E642 PolarHBondContact N-O 2.76Å; K628-A644 PolarHBondContact NZ-O 2.93Å
629Q93.1Very high92.6Very high105 Ų10578.2 Ų78.249%0.49137%0.373SS..EExtended strand (participates in β ladder)trans-159.8164.7-179.160.5-179.89.800110.2E642Q629-E642 HydrophobicContact CG-CB 4.1Å; Q629-E642 HydrophobicContact CG-CG 4.41Å; Q629-E642 WeakPolarHBondContact CG-OE2 3.33Å; Q629-E642 VanDerWaalsContact NE2-CD 3.31Å; Q629-E642 PolarHBondContact NE2-OE1 3.28Å; Q629-E642 PolarHBondContact NE2-OE2 2.84Å; Q629-E642 PolarHBondContact O-N 3.37Å
630W94.3Very high92.7Very high49 Ų4975.9 Ų75.919%0.18636%0.362CS..EExtended strand (participates in β ladder)trans-132.9148.3165.476.8101.2000109.7M627 T640 V641 H662 I665 I669 L690M627-W630 HydrophobicContact SD-CE3 4.17Å; W630-T640 CarbonylContact C-O 3.59Å; W630-T640 VanDerWaalsContact CA-O 3.28Å; W630-T640 WeakPolarHBondContact CA-O 3.41Å; W630-V641 HydrophobicContact CB-CB 4.44Å; W630-V641 HydrophobicContact CB-CG1 4.36Å; W630-V641 HydrophobicContact CB-CG2 4.03Å; W630-H662 AromaticContact CD1-ND1 3.71Å; W630-H662 AromaticContact CE2-CE1 3.82Å; W630-H662 AromaticContact CE2-ND1 3.86Å; W630-H662 AromaticContact CZ2-CE1 3.86Å; W630-H662 AromaticContact NE1-CE1 3.24Å; W630-H662 PolarHBondContact NE1-CE1 2.67Å; W630-H662 AromaticContact NE1-CG 3.9Å; W630-H662 AromaticContact NE1-ND1 2.86Å; W630-H662 PolarHBondContact NE1-ND1 3.06Å; W630-I665 HydrophobicContact CD2-CG2 3.81Å; W630-I665 HydrophobicContact CE3-CG2 4.04Å; W630-I665 HydrophobicContact CG-CG2 4.18Å; W630-I665 HydrophobicContact CZ2-CG2 4.41Å; W630-I665 HydrophobicContact CZ3-CG2 4.46Å; W630-I669 HydrophobicContact CE3-CD1 3.97Å; W630-I669 HydrophobicContact CH2-CD1 3.91Å; W630-I669 HydrophobicContact CZ3-CD1 3.38Å; W630-L690 HydrophobicContact CH2-CD2 3.97Å; W630-L690 WeakPolarHBondContact CZ2-O 3.23Å
631N92.3Very high92.8Very high108 Ų10872.2 Ų72.258%0.57835%0.346SS*.EExtended strand (participates in β ladder)trans-129.8145.9178.8-173.313.8000109.5T640N631-T640 PolarHBondContact N-O 2.95Å; N631-T640 PolarHBondContact O-N 3.36Å
632V91.8Very high92.9Very high9 Ų973.1 Ų73.16%0.05535%0.347CS..EExtended strand (participates in β ladder)trans-118.6115.2175.5-1740000108.1W634 M638 V639 C658 H662V632-W634 HydrophobicContact CB-CD2 4.44Å; V632-W634 HydrophobicContact CB-CH2 4.21Å; V632-W634 HydrophobicContact CB-CZ2 3.97Å; V632-W634 HydrophobicContact CG1-CD2 3.9Å; V632-W634 HydrophobicContact CG1-CE3 3.79Å; V632-W634 HydrophobicContact CG1-CH2 3.91Å; V632-W634 HydrophobicContact CG1-CZ2 4.04Å; V632-W634 HydrophobicContact CG1-CZ3 3.79Å; V632-W634 HydrophobicContact CG2-CZ2 4.49Å; V632-W634 PolarHBondContact O-N 3.02Å; V632-M638 WeakPolarHBondContact CA-O 3.46Å; V632-V639 HydrophobicContact CG2-CG2 4.33Å; V632-C658 HydrophobicContact CG1-CB 4.13Å; V632-H662 HydrophobicContact CG2-CB 3.91Å; V632-H662 WeakPolarHBondContact CG2-ND1 3.28Å
633N90.9Very high92.8Very high70 Ų7073.1 Ų73.137%0.37435%0.347SS..EExtended strand (participates in β ladder)trans-83.4102.8167.4-174.7-34.2000108.4E635 I636 K637 M638N633-E635 VanDerWaalsContact C-N 3.27Å; N633-E635 PolarHBondContact O-N 2.82Å; N633-E635 WeakPolarHBondContact OD1-CB 3.27Å; N633-E635 PolarHBondContact OD1-N 3.37Å; N633-I636 HydrophobicContact CB-CD1 4.31Å; N633-I636 HydrophobicContact CB-CG1 3.8Å; N633-I636 VanDerWaalsContact CG-CG1 3.5Å; N633-I636 PolarHBondContact OD1-N 2.72Å; N633-K637 CarbonylContact O-C 3.52Å; N633-K637 WeakPolarHBondContact O-CA 3.4Å; N633-K637 PolarHBondContact O-N 2.63Å; N633-M638 PolarHBondContact N-O 3.24Å; N633-M638 PolarHBondContact O-N 3.03Å; N633-M638 VanDerWaalsContact O-N 3.11Å
634W87.5Confident92.7Very high122 Ų12267 Ų6746%0.46233%0.332SS..THydrogen-bonded Turntrans-66.3-24.8-177.5-56.5106000113.9V632 K659V632-W634 HydrophobicContact CB-CD2 4.44Å; V632-W634 HydrophobicContact CB-CH2 4.21Å; V632-W634 HydrophobicContact CB-CZ2 3.97Å; V632-W634 HydrophobicContact CG1-CD2 3.9Å; V632-W634 HydrophobicContact CG1-CE3 3.79Å; V632-W634 HydrophobicContact CG1-CH2 3.91Å; V632-W634 HydrophobicContact CG1-CZ2 4.04Å; V632-W634 HydrophobicContact CG1-CZ3 3.79Å; V632-W634 HydrophobicContact CG2-CZ2 4.49Å; V632-W634 PolarHBondContact O-N 3.02Å; W634-K659 HydrophobicContact CH2-CB 4.37Å; W634-K659 HydrophobicContact CH2-CD 3.56Å; W634-K659 HydrophobicContact CZ3-CB 3.95Å; W634-K659 HydrophobicContact CZ3-CD 3.92Å
635E87.4Confident92.4Very high179 Ų17973 Ų7384%0.83637%0.366SS*.THydrogen-bonded Turntrans-72.4-45.5-179.3-174.1171.7-16800111.3N633N633-E635 VanDerWaalsContact C-N 3.27Å; N633-E635 PolarHBondContact O-N 2.82Å; N633-E635 WeakPolarHBondContact OD1-CB 3.27Å; N633-E635 PolarHBondContact OD1-N 3.37Å
636I88.9Confident92.1Very high89 Ų8971.7 Ų71.746%0.45635%0.349SS..THydrogen-bonded Turntrans-99.43.6177.664171.3000113.5N633 M638N633-I636 HydrophobicContact CB-CD1 4.31Å; N633-I636 HydrophobicContact CB-CG1 3.8Å; N633-I636 VanDerWaalsContact CG-CG1 3.5Å; N633-I636 PolarHBondContact OD1-N 2.72Å; I636-M638 HydrophobicContact CD1-CB 3.75Å; I636-M638 HydrophobicContact CD1-CE 3.93Å; I636-M638 HydrophobicContact CD1-SD 4.09Å; I636-M638 HydrophobicContact CG1-CB 3.74Å; I636-M638 PolarHBondContact O-N 3.04Å
637K90.4Very high91.9Very high105 Ų10573.1 Ų73.146%0.45736%0.362SS..THydrogen-bonded Turntrans52.435.6-177.8-57.8-173.2175.6-165.70114.3N633 D657 C658N633-K637 CarbonylContact O-C 3.52Å; N633-K637 WeakPolarHBondContact O-CA 3.4Å; N633-K637 PolarHBondContact O-N 2.63Å; K637-D657 IonicContact NZ-OD2 2.75Å; K637-C658 HydrophobicContact CB-CB 4.5Å
638M92.4Very high91.8Very high42 Ų4274.9 Ų74.921%0.20738%0.377CS..EExtended strand (participates in β ladder)trans-101.1128.1-176.7-172.7179.2-70.300110.7V632 N633 I636 F651 I652V632-M638 WeakPolarHBondContact CA-O 3.46Å; N633-M638 PolarHBondContact N-O 3.24Å; N633-M638 PolarHBondContact O-N 3.03Å; N633-M638 VanDerWaalsContact O-N 3.11Å; I636-M638 HydrophobicContact CD1-CB 3.75Å; I636-M638 HydrophobicContact CD1-CE 3.93Å; I636-M638 HydrophobicContact CD1-SD 4.09Å; I636-M638 HydrophobicContact CG1-CB 3.74Å; I636-M638 PolarHBondContact O-N 3.04Å; M638-F651 WeakPolarHBondContact CA-O 3.24Å; M638-I652 HydrophobicContact CB-CG1 3.89Å; M638-I652 HydrophobicContact CE-CD1 3.75Å; M638-I652 HydrophobicContact CE-CG1 3.93Å; M638-I652 HydrophobicContact CG-CG1 4.06Å
639V95.1Very high91.8Very high0 Ų068.4 Ų68.40%035%0.35CS..EExtended strand (participates in β ladder)trans-94.3128.3170.5-175.50000107.9V632 V641 S650 F651 C658 V661 I665V632-V639 HydrophobicContact CG2-CG2 4.33Å; V639-V641 HydrophobicContact CG1-CG2 4.18Å; V639-S650 WeakPolarHBondContact O-CA 3.16Å; V639-F651 HydrophobicContact CB-CE1 4.02Å; V639-F651 HydrophobicContact CB-CE2 4.14Å; V639-F651 HydrophobicContact CB-CZ 3.82Å; V639-F651 HydrophobicContact CG1-CE1 4.07Å; V639-F651 HydrophobicContact CG1-CZ 3.96Å; V639-F651 HydrophobicContact CG2-CE2 4.32Å; V639-F651 HydrophobicContact CG2-CZ 4.33Å; V639-F651 PolarHBondContact N-O 3.12Å; V639-F651 PolarHBondContact O-N 3.4Å; V639-C658 HydrophobicContact CG2-CB 3.98Å; V639-V661 HydrophobicContact CG2-CG1 4.42Å; V639-I665 HydrophobicContact CG1-CD1 4.39Å
640T95.5Very high91.9Very high35 Ų3563.9 Ų63.922%0.21533%0.33CS..EExtended strand (participates in β ladder)trans-122.2126.4174-62.60000109.6W630 N631 L649 S650W630-T640 CarbonylContact C-O 3.59Å; W630-T640 VanDerWaalsContact CA-O 3.28Å; W630-T640 WeakPolarHBondContact CA-O 3.41Å; N631-T640 PolarHBondContact N-O 2.95Å; N631-T640 PolarHBondContact O-N 3.36Å; T640-L649 CarbonylContact C-O 3.59Å; T640-L649 VanDerWaalsContact CA-O 3.3Å; T640-L649 WeakPolarHBondContact CA-O 3.13Å; T640-S650 WeakPolarHBondContact CG2-OG 3.12Å; T640-S650 PolarHBondContact OG1-OG 2.95Å
641V96.5Very high92Very high0 Ų061.6 Ų61.60%032%0.321CS..EExtended strand (participates in β ladder)trans-117.2126.8-179.1-171.60000108.9L608 M627 W630 V639 F643 S648 L649 I665L608-V641 HydrophobicContact CD1-CG1 4.39Å; L608-V641 HydrophobicContact CD1-CG2 3.96Å; M627-V641 HydrophobicContact CE-CG1 3.67Å; M627-V641 HydrophobicContact CG-CG1 3.71Å; M627-V641 HydrophobicContact SD-CG1 3.98Å; W630-V641 HydrophobicContact CB-CB 4.44Å; W630-V641 HydrophobicContact CB-CG1 4.36Å; W630-V641 HydrophobicContact CB-CG2 4.03Å; V639-V641 HydrophobicContact CG1-CG2 4.18Å; V641-F643 HydrophobicContact CB-CE2 3.99Å; V641-F643 HydrophobicContact CB-CZ 4Å; V641-F643 HydrophobicContact CG1-CE1 3.88Å; V641-F643 HydrophobicContact CG1-CE2 3.75Å; V641-F643 HydrophobicContact CG1-CZ 3.36Å; V641-S648 CarbonylContact O-C 3.55Å; V641-S648 VanDerWaalsContact O-CA 3.28Å; V641-S648 WeakPolarHBondContact O-CA 3.41Å; V641-L649 HydrophobicContact CB-CB 4.34Å; V641-L649 PolarHBondContact N-O 3.37Å; V641-L649 PolarHBondContact O-N 2.82Å; V641-I665 HydrophobicContact CG2-CD1 4.49Å
642E96.3Very high92Very high80 Ų8059.3 Ų59.337%0.37431%0.308SS..EExtended strand (participates in β ladder)trans-103135.9-179.7-68.2178.2-168.500111K628 Q629K628-E642 PolarHBondContact N-O 2.76Å; Q629-E642 HydrophobicContact CG-CB 4.1Å; Q629-E642 HydrophobicContact CG-CG 4.41Å; Q629-E642 WeakPolarHBondContact CG-OE2 3.33Å; Q629-E642 VanDerWaalsContact NE2-CD 3.31Å; Q629-E642 PolarHBondContact NE2-OE1 3.28Å; Q629-E642 PolarHBondContact NE2-OE2 2.84Å; Q629-E642 PolarHBondContact O-N 3.37Å
643F94.9Very high91.9Very high12 Ų1259.4 Ų59.45%0.05331%0.309CS..EExtended strand (participates in β ladder)trans-119.2163.3-178.5-60.7-78.6000111.3W622 N626 M627 V641 E646 L649W622-F643 HydrophobicContact CB-CD1 4.45Å; W622-F643 HydrophobicContact CB-CE1 3.67Å; W622-F643 HydrophobicContact CB-CE2 3.97Å; W622-F643 HydrophobicContact CB-CZ 3.38Å; W622-F643 AromaticContact CD1-CD2 3.64Å; W622-F643 AromaticContact CD1-CE2 3.31Å; W622-F643 AromaticContact CD1-CZ 3.7Å; W622-F643 HydrophobicContact CG-CD2 4.42Å; W622-F643 HydrophobicContact CG-CE1 4.32Å; W622-F643 AromaticContact CG-CE2 3.73Å; W622-F643 HydrophobicContact CG-CE2 3.73Å; W622-F643 AromaticContact CG-CZ 3.67Å; W622-F643 HydrophobicContact CG-CZ 3.67Å; W622-F643 AromaticContact NE1-CE2 3.94Å; N626-F643 HydrophobicContact CB-CD1 4.47Å; N626-F643 CarbonylContact O-C 3.55Å; N626-F643 VanDerWaalsContact O-CA 3.23Å; N626-F643 WeakPolarHBondContact O-CA 3.17Å; M627-F643 HydrophobicContact CB-CD1 4.22Å; M627-F643 HydrophobicContact CB-CE1 4.08Å; M627-F643 HydrophobicContact CG-CE1 4.36Å; V641-F643 HydrophobicContact CB-CE2 3.99Å; V641-F643 HydrophobicContact CB-CZ 4Å; V641-F643 HydrophobicContact CG1-CE1 3.88Å; V641-F643 HydrophobicContact CG1-CE2 3.75Å; V641-F643 HydrophobicContact CG1-CZ 3.36Å; F643-E646 HydrophobicContact CB-CB 3.94Å; F643-L649 HydrophobicContact CE2-CB 3.82Å
644A90.8Very high91.5Very high40 Ų4058.4 Ų58.433%0.33131%0.31SS..SBendtrans-64.1-53.9-175.900000113.9N626 K628N626-A644 PolarHBondContact O-N 3.24Å; K628-A644 PolarHBondContact NZ-O 2.93Å
645D87.4Confident90.9Very high154 Ų15456.6 Ų56.682%0.82431%0.307SS*.SBendtrans-124.918.4-170.9-54.4-51.7000112.2
646E86.1Confident90.7Very high68 Ų6848.4 Ų48.432%0.31827%0.269SS..SBendtrans-130.5152.6-177.8-77.3-161.6-137.700111.7K620 F643K620-E646 VanDerWaalsContact CE-OE2 3.23Å; K620-E646 WeakPolarHBondContact CE-OE2 3.31Å; K620-E646 IonicContact NZ-OE2 2.81Å; K620-E646 PolarHBondContact NZ-OE2 3.43Å; F643-E646 HydrophobicContact CB-CB 3.94Å
647P89.3Confident90.5Very high95 Ų9547.6 Ų47.662%0.61727%0.266SS*.PPolyproline II helixtrans-60.2146.2173.326.8-34.8000110.8
648S92.5Very high90.4Very high67 Ų6742.6 Ų42.647%0.46924%0.244SC..PPolyproline II helixtrans-57.8138.8177.156.40000111.3V641V641-S648 CarbonylContact O-C 3.55Å; V641-S648 VanDerWaalsContact O-CA 3.28Å; V641-S648 WeakPolarHBondContact O-CA 3.41Å
649L95.1Very high90.3Very high8 Ų841.9 Ų41.94%0.04224%0.24CC..EExtended strand (participates in β ladder)trans-92.9118.2173.6167.260.3000109.1F592 I601 L608 W622 T640 V641 F643 F651F592-L649 HydrophobicContact CD1-CD1 3.64Å; F592-L649 HydrophobicContact CE1-CD1 3.7Å; I601-L649 HydrophobicContact CD1-CD2 4.45Å; L608-L649 HydrophobicContact CB-CD2 4.45Å; L608-L649 HydrophobicContact CD1-CD2 3.89Å; W622-L649 HydrophobicContact CD2-CD2 4Å; W622-L649 HydrophobicContact CE3-CD2 3.9Å; W622-L649 HydrophobicContact CH2-CD1 3.84Å; W622-L649 HydrophobicContact CH2-CD2 4.3Å; W622-L649 HydrophobicContact CZ2-CB 4.42Å; W622-L649 HydrophobicContact CZ2-CD1 3.87Å; W622-L649 HydrophobicContact CZ2-CD2 4.36Å; W622-L649 HydrophobicContact CZ2-CG 4.44Å; W622-L649 HydrophobicContact CZ3-CD1 4.36Å; W622-L649 HydrophobicContact CZ3-CD2 4.07Å; T640-L649 CarbonylContact C-O 3.59Å; T640-L649 VanDerWaalsContact CA-O 3.3Å; T640-L649 WeakPolarHBondContact CA-O 3.13Å; V641-L649 HydrophobicContact CB-CB 4.34Å; V641-L649 PolarHBondContact N-O 3.37Å; V641-L649 PolarHBondContact O-N 2.82Å; F643-L649 HydrophobicContact CE2-CB 3.82Å; L649-F651 HydrophobicContact CD1-CD1 4.16Å; L649-F651 HydrophobicContact CD2-CD1 4.32Å; L649-F651 HydrophobicContact CD2-CE1 4.21Å; L649-F651 HydrophobicContact CG-CD1 3.96Å; L649-F651 HydrophobicContact CG-CE1 4.24Å
650S95.4Very high90.2Very high10 Ų1042.6 Ų42.67%0.0724%0.244CC..EExtended strand (participates in β ladder)trans-122.9131175.3-60.70000111.8Q593 V639 T640Q593-S650 PolarHBondContact N-O 3.35Å; V639-S650 WeakPolarHBondContact O-CA 3.16Å; T640-S650 WeakPolarHBondContact CG2-OG 3.12Å; T640-S650 PolarHBondContact OG1-OG 2.95Å
651F95Very high90.1Very high1 Ų141 Ų410%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-151.6157.4179.364.1-84.4000112.3A590 K591 F592 I601 M638 V639 L649 V661A590-F651 HydrophobicContact CB-CB 4.44Å; A590-F651 HydrophobicContact CB-CD2 3.87Å; A590-F651 HydrophobicContact CB-CG 4.49Å; K591-F651 WeakPolarHBondContact O-CA 3.4Å; F592-F651 HydrophobicContact CD1-CB 3.93Å; F592-F651 HydrophobicContact CE1-CB 4.23Å; F592-F651 HydrophobicContact CE1-CG 4.5Å; F592-F651 HydrophobicContact CG-CB 4.28Å; I601-F651 HydrophobicContact CG1-CE1 4.44Å; I601-F651 HydrophobicContact CG1-CE2 4.32Å; I601-F651 HydrophobicContact CG1-CZ 4.11Å; I601-F651 HydrophobicContact CG2-CD2 4.28Å; I601-F651 HydrophobicContact CG2-CE2 3.91Å; I601-F651 HydrophobicContact CG2-CZ 4.48Å; M638-F651 WeakPolarHBondContact CA-O 3.24Å; V639-F651 HydrophobicContact CB-CE1 4.02Å; V639-F651 HydrophobicContact CB-CE2 4.14Å; V639-F651 HydrophobicContact CB-CZ 3.82Å; V639-F651 HydrophobicContact CG1-CE1 4.07Å; V639-F651 HydrophobicContact CG1-CZ 3.96Å; V639-F651 HydrophobicContact CG2-CE2 4.32Å; V639-F651 HydrophobicContact CG2-CZ 4.33Å; V639-F651 PolarHBondContact N-O 3.12Å; V639-F651 PolarHBondContact O-N 3.4Å; L649-F651 HydrophobicContact CD1-CD1 4.16Å; L649-F651 HydrophobicContact CD2-CD1 4.32Å; L649-F651 HydrophobicContact CD2-CE1 4.21Å; L649-F651 HydrophobicContact CG-CD1 3.96Å; L649-F651 HydrophobicContact CG-CE1 4.24Å; F651-V661 HydrophobicContact CE2-CG1 3.85Å; F651-V661 HydrophobicContact CZ-CG1 3.73Å
652I93Very high90Very high60 Ų6041.4 Ų41.431%0.30824%0.236SC..EExtended strand (participates in β ladder)trans-116.3133.1173.7-61.8167.5000107.9A590 K591 M638A590-I652 CarbonylContact C-O 3.54Å; A590-I652 WeakPolarHBondContact CA-O 3.34Å; K591-I652 PolarHBondContact N-O 3Å; K591-I652 PolarHBondContact O-N 3.4Å; M638-I652 HydrophobicContact CB-CG1 3.89Å; M638-I652 HydrophobicContact CE-CD1 3.75Å; M638-I652 HydrophobicContact CE-CG1 3.93Å; M638-I652 HydrophobicContact CG-CG1 4.06Å
653C89.4Confident90Very high10 Ų1037.7 Ų37.77%0.06822%0.219CC..EExtended strand (participates in β ladder)trans-79.2131173.8-630000109.6L589 V656 V661L589-C653 WeakPolarHBondContact O-CA 3.45Å; C653-V656 HydrophobicContact CB-CB 4.48Å; C653-V656 WeakPolarHBondContact CB-O 3.29Å; C653-V661 WeakPolarHBondContact SG-CG2 3.36Å
654A82.1Confident90.1Very high49 Ų4937.1 Ų37.141%0.40522%0.216SC..SBendtrans-75.2-54.2-172.500000111.8L589L589-A654 HydrophobicContact CD2-CB 4.07Å; L589-A654 HydrophobicContact CG-CB 4.06Å; L589-A654 PolarHBondContact O-N 3.38Å
655E76.1Confident90.3Very high85 Ų8535.2 Ų35.240%0.39720%0.201SC..SBendtrans-110.5-19.8-172.8-59.1-179.2162.200113.1K256 Q259 L589K256-E655 VanDerWaalsContact CE-OE1 3.26Å; K256-E655 WeakPolarHBondContact CE-OE1 3.47Å; K256-E655 WeakPolarHBondContact CE-OE2 3.45Å; K256-E655 WeakPolarHBondContact CG-OE2 3.35Å; K256-E655 IonicContact NZ-OE1 2.72Å; Q259-E655 PolarHBondContact NE2-OE2 3.39Å; Q259-E655 PolarHBondContact OE1-O 3.44Å; L589-E655 HydrophobicContact CD2-CG 4.24Å
656V82Confident90.7Very high7 Ų727.9 Ų27.94%0.04216%0.161CC..SBendtrans-98.7140-178.9-176.10000109.5Q259 F588 C653 C658 V660Q259-V656 HydrophobicContact CB-CB 4.28Å; Q259-V656 HydrophobicContact CB-CG1 4.24Å; Q259-V656 HydrophobicContact CB-CG2 3.7Å; Q259-V656 HydrophobicContact CG-CG2 3.72Å; F588-V656 HydrophobicContact CD1-CB 4.21Å; F588-V656 HydrophobicContact CD1-CG1 3.96Å; F588-V656 HydrophobicContact CD1-CG2 4.01Å; F588-V656 HydrophobicContact CE1-CG1 4.12Å; C653-V656 HydrophobicContact CB-CB 4.48Å; C653-V656 WeakPolarHBondContact CB-O 3.29Å; V656-C658 PolarHBondContact O-N 3.16Å; V656-V660 HydrophobicContact CG1-CB 3.72Å; V656-V660 HydrophobicContact CG1-CG1 4.21Å; V656-V660 HydrophobicContact CG1-CG2 3.88Å
657D85.5Confident91.1Very high71 Ų7124.7 Ų24.738%0.3815%0.146SC..  trans-63.7132.7171.9-160.3-59.9000110.1K637 K659 V660K637-D657 IonicContact NZ-OD2 2.75Å; D657-K659 HydrophobicContact CB-CB 4.42Å; D657-K659 PolarHBondContact O-N 3.07Å; D657-K659 WeakPolarHBondContact OD1-CB 3.4Å; D657-K659 PolarHBondContact OD1-N 3.17Å; D657-V660 PolarHBondContact O-N 3.09Å
658C88.8Confident91.5Very high1 Ų120.2 Ų20.21%0.00712%0.117CC..Hα-helixtrans-52.8-22.5175.557.80000113.1V632 K637 V639 V656 V660 V661 H662V632-C658 HydrophobicContact CG1-CB 4.13Å; K637-C658 HydrophobicContact CB-CB 4.5Å; V639-C658 HydrophobicContact CG2-CB 3.98Å; V656-C658 PolarHBondContact O-N 3.16Å; C658-V660 VanDerWaalsContact C-N 3.3Å; C658-V660 PolarHBondContact O-N 2.97Å; C658-V661 PolarHBondContact O-N 2.89Å; C658-H662 WeakPolarHBondContact O-CB 3.46Å; C658-H662 PolarHBondContact O-N 2.81Å
659K89.9Confident91.5Very high27 Ų2718.7 Ų18.712%0.11710%0.104CC..Hα-helixtrans-56.3-39.1171.9-173.559.2171.9177.70113.5D263 W634 D657 H662 E663 T691 S692D263-K659 WeakPolarHBondContact OD2-CE 3.39Å; W634-K659 HydrophobicContact CH2-CB 4.37Å; W634-K659 HydrophobicContact CH2-CD 3.56Å; W634-K659 HydrophobicContact CZ3-CB 3.95Å; W634-K659 HydrophobicContact CZ3-CD 3.92Å; D657-K659 HydrophobicContact CB-CB 4.42Å; D657-K659 PolarHBondContact O-N 3.07Å; D657-K659 WeakPolarHBondContact OD1-CB 3.4Å; D657-K659 PolarHBondContact OD1-N 3.17Å; K659-H662 WeakPolarHBondContact O-CB 3.08Å; K659-E663 WeakPolarHBondContact O-CB 3.47Å; K659-E663 PolarHBondContact O-N 3.16Å; K659-T691 PolarHBondContact NZ-O 3.01Å; K659-S692 VanDerWaalsContact NZ-C 3.26Å; K659-S692 VanDerWaalsContact NZ-CA 3.29Å; K659-S692 PolarHBondContact NZ-O 2.87Å
660V92.4Very high91.4Very high15 Ų1518.5 Ų18.59%0.09110%0.102CC..Hα-helixtrans-67.4-47.1-179.6-179.90000110.1W261 F588 V656 D657 C658 E663 F664W261-V660 HydrophobicContact CB-CG1 4.13Å; F588-V660 HydrophobicContact CE1-CG1 3.81Å; F588-V660 HydrophobicContact CZ-CG1 4.16Å; V656-V660 HydrophobicContact CG1-CB 3.72Å; V656-V660 HydrophobicContact CG1-CG1 4.21Å; V656-V660 HydrophobicContact CG1-CG2 3.88Å; D657-V660 PolarHBondContact O-N 3.09Å; C658-V660 VanDerWaalsContact C-N 3.3Å; C658-V660 PolarHBondContact O-N 2.97Å; V660-E663 PolarHBondContact O-N 2.96Å; V660-F664 HydrophobicContact CG1-CD2 3.91Å; V660-F664 HydrophobicContact CG1-CE2 3.89Å; V660-F664 WeakPolarHBondContact O-CD2 3.47Å; V660-F664 PolarHBondContact O-N 3.27Å
661V93.7Very high91.2Very high0 Ų018.5 Ų18.50%010%0.101CC..Hα-helixtrans-62.8-43.6177.5172.30000111F588 I603 V639 F651 C653 C658 E663 F664 I665F588-V661 HydrophobicContact CB-CG2 4.3Å; F588-V661 HydrophobicContact CD1-CG2 3.85Å; F588-V661 HydrophobicContact CD2-CG2 3.98Å; F588-V661 HydrophobicContact CE1-CG2 4.15Å; F588-V661 HydrophobicContact CE2-CG2 4.28Å; F588-V661 HydrophobicContact CG-CG2 3.77Å; F588-V661 HydrophobicContact CZ-CG2 4.37Å; I603-V661 HydrophobicContact CD1-CB 4.4Å; I603-V661 HydrophobicContact CD1-CG1 3.81Å; V639-V661 HydrophobicContact CG2-CG1 4.42Å; F651-V661 HydrophobicContact CE2-CG1 3.85Å; F651-V661 HydrophobicContact CZ-CG1 3.73Å; C653-V661 WeakPolarHBondContact SG-CG2 3.36Å; C658-V661 PolarHBondContact O-N 2.89Å; V661-E663 VanDerWaalsContact C-N 3.32Å; V661-E663 PolarHBondContact O-N 2.93Å; V661-F664 PolarHBondContact O-N 3.38Å; V661-I665 HydrophobicContact CG1-CD1 4.29Å; V661-I665 WeakPolarHBondContact O-CG1 3.29Å; V661-I665 PolarHBondContact O-N 3.43Å
662H94.3Very high91Very high10 Ų1022.6 Ų22.65%0.04613%0.13CC..Hα-helixtrans-54.5-47.9172.8171.581.3000111.8W630 V632 C658 K659 F664 I665 G666 L690 T691W630-H662 AromaticContact CD1-ND1 3.71Å; W630-H662 AromaticContact CE2-CE1 3.82Å; W630-H662 AromaticContact CE2-ND1 3.86Å; W630-H662 AromaticContact CZ2-CE1 3.86Å; W630-H662 AromaticContact NE1-CE1 3.24Å; W630-H662 PolarHBondContact NE1-CE1 2.67Å; W630-H662 AromaticContact NE1-CG 3.9Å; W630-H662 AromaticContact NE1-ND1 2.86Å; W630-H662 PolarHBondContact NE1-ND1 3.06Å; V632-H662 HydrophobicContact CG2-CB 3.91Å; V632-H662 WeakPolarHBondContact CG2-ND1 3.28Å; C658-H662 WeakPolarHBondContact O-CB 3.46Å; C658-H662 PolarHBondContact O-N 2.81Å; K659-H662 WeakPolarHBondContact O-CB 3.08Å; H662-F664 VanDerWaalsContact C-N 3.35Å; H662-F664 PolarHBondContact O-N 3.35Å; H662-I665 PolarHBondContact O-N 3.29Å; H662-G666 PolarHBondContact O-N 3.01Å; H662-L690 PolarHBondContact NE2-O 3.33Å; H662-T691 PolarHBondContact CD2-O 3.15Å; H662-T691 PolarHBondContact NE2-O 2.94Å
663E95.9Very high90.6Very high2 Ų222.9 Ų22.91%0.00914%0.135CC..Hα-helixtrans-63.8-39.2177.5-174.7-179.2147.600111.8S264 K284 Y285 K659 V660 V661 I665 G666 G667 T691S264-E663 WeakPolarHBondContact CB-OE1 3.28Å; S264-E663 PolarHBondContact N-OE2 3.19Å; S264-E663 VanDerWaalsContact N-OE2 3.13Å; S264-E663 PolarHBondContact OG-OE1 2.78Å; K284-E663 IonicContact NZ-OE1 2.65Å; K284-E663 PolarHBondContact NZ-OE1 3.26Å; K284-E663 IonicContact NZ-OE2 3.19Å; Y285-E663 PolarHBondContact OH-O 3.34Å; K659-E663 WeakPolarHBondContact O-CB 3.47Å; K659-E663 PolarHBondContact O-N 3.16Å; V660-E663 PolarHBondContact O-N 2.96Å; V661-E663 VanDerWaalsContact C-N 3.32Å; V661-E663 PolarHBondContact O-N 2.93Å; E663-I665 PolarHBondContact O-N 2.93Å; E663-G666 PolarHBondContact O-N 2.94Å; E663-G667 WeakPolarHBondContact O-CA 3.31Å; E663-G667 PolarHBondContact O-N 3.07Å; E663-T691 HydrophobicContact CG-CG2 3.9Å
664F96.6Very high90Very high0 Ų024.5 Ų24.50%014%0.14CC..Hα-helixtrans-61.8-43.6176.2-94.1-82.4000112.7W261 K284 Y285 T586 F588 I603 V660 V661 H662 Y668W261-F664 AromaticContact CD1-CE2 3.76Å; W261-F664 AromaticContact CD1-CZ 4Å; W261-F664 HydrophobicContact CG-CE2 4.26Å; W261-F664 AromaticContact NE1-CZ 3.78Å; K284-F664 HydrophobicContact CD-CZ 4.19Å; K284-F664 VanDerWaalsContact CE-CE2 3.47Å; K284-F664 HydrophobicContact CG-CE1 3.79Å; K284-F664 HydrophobicContact CG-CE2 4.42Å; K284-F664 HydrophobicContact CG-CZ 3.62Å; Y285-F664 HydrophobicContact CD1-CD1 4.29Å; Y285-F664 HydrophobicContact CE1-CD1 4.05Å; Y285-F664 HydrophobicContact CE1-CE1 4.49Å; T586-F664 HydrophobicContact CG2-CE1 3.98Å; T586-F664 HydrophobicContact CG2-CE2 4.27Å; T586-F664 HydrophobicContact CG2-CZ 3.78Å; F588-F664 HydrophobicContact CE1-CE2 4.48Å; F588-F664 HydrophobicContact CE2-CD2 4.19Å; F588-F664 HydrophobicContact CE2-CG 4.48Å; F588-F664 AromaticContact CZ-CD2 3.54Å; F588-F664 HydrophobicContact CZ-CD2 3.54Å; F588-F664 AromaticContact CZ-CE2 3.63Å; F588-F664 HydrophobicContact CZ-CE2 3.63Å; F588-F664 HydrophobicContact CZ-CG 4.25Å; F588-F664 HydrophobicContact CZ-CZ 4.4Å; I603-F664 HydrophobicContact CD1-CB 3.81Å; I603-F664 HydrophobicContact CG2-CB 4.32Å; V660-F664 HydrophobicContact CG1-CD2 3.91Å; V660-F664 HydrophobicContact CG1-CE2 3.89Å; V660-F664 WeakPolarHBondContact O-CD2 3.47Å; V660-F664 PolarHBondContact O-N 3.27Å; V661-F664 PolarHBondContact O-N 3.38Å; H662-F664 VanDerWaalsContact C-N 3.35Å; H662-F664 PolarHBondContact O-N 3.35Å; F664-Y668 HydrophobicContact CD1-CD2 4.43Å; F664-Y668 AromaticContact CD1-CE2 3.89Å; F664-Y668 HydrophobicContact CD1-CE2 3.89Å; F664-Y668 VanDerWaalsContact O-CD2 3.24Å; F664-Y668 WeakPolarHBondContact O-CD2 3.32Å; F664-Y668 PolarHBondContact O-N 2.97Å
665I96.1Very high89.1Confident0 Ų024.3 Ų24.30%014%0.138CC..Hα-helixtrans-62.6-53.7176.4-64.7169.2000109.9I603 L608 M627 W630 V639 V641 V661 H662 E663 G667 Y668 I669I603-I665 HydrophobicContact CD1-CG1 4.5Å; L608-I665 HydrophobicContact CD2-CG1 4.31Å; M627-I665 HydrophobicContact CE-CG2 4.08Å; M627-I665 HydrophobicContact SD-CG2 4.14Å; W630-I665 HydrophobicContact CD2-CG2 3.81Å; W630-I665 HydrophobicContact CE3-CG2 4.04Å; W630-I665 HydrophobicContact CG-CG2 4.18Å; W630-I665 HydrophobicContact CZ2-CG2 4.41Å; W630-I665 HydrophobicContact CZ3-CG2 4.46Å; V639-I665 HydrophobicContact CG1-CD1 4.39Å; V641-I665 HydrophobicContact CG2-CD1 4.49Å; V661-I665 HydrophobicContact CG1-CD1 4.29Å; V661-I665 WeakPolarHBondContact O-CG1 3.29Å; V661-I665 PolarHBondContact O-N 3.43Å; H662-I665 PolarHBondContact O-N 3.29Å; E663-I665 PolarHBondContact O-N 2.93Å; I665-G667 VanDerWaalsContact C-N 3.33Å; I665-G667 PolarHBondContact O-N 3.26Å; I665-Y668 PolarHBondContact O-N 3.29Å; I665-I669 HydrophobicContact CG2-CD1 3.87Å; I665-I669 VanDerWaalsContact O-CG1 3.32Å; I665-I669 WeakPolarHBondContact O-CG1 3.34Å; I665-I669 PolarHBondContact O-N 3.46Å
666G95.3Very high88.2Confident0 Ų028.1 Ų28.10%015%0.153CC..Hα-helixtrans-62.2-38-179.300000113.4H662 E663 I669 F670H662-G666 PolarHBondContact O-N 3.01Å; E663-G666 PolarHBondContact O-N 2.94Å; G666-I669 PolarHBondContact O-N 3.01Å; G666-F670 WeakPolarHBondContact O-CB 3.43Å; G666-F670 PolarHBondContact O-N 2.92Å
667G95.6Very high86.6Confident0 Ų035.4 Ų35.40%019%0.192CC..Hα-helixtrans-68.8-42.5178.700000113.1E663 I665 F670 L671E663-G667 WeakPolarHBondContact O-CA 3.31Å; E663-G667 PolarHBondContact O-N 3.07Å; I665-G667 VanDerWaalsContact C-N 3.33Å; I665-G667 PolarHBondContact O-N 3.26Å; G667-F670 WeakPolarHBondContact O-CB 3.16Å; G667-F670 PolarHBondContact O-N 3.24Å; G667-L671 WeakPolarHBondContact O-CD1 3.46Å; G667-L671 WeakPolarHBondContact O-CG 3.37Å; G667-L671 PolarHBondContact O-N 3.46Å
668Y96.3Very high84.8Confident2 Ų239.1 Ų39.11%0.00821%0.207CC..Hα-helixtrans-66.6-37.2173.3-80.7-53.7000112.4Y285 H286 I603 T604 Y605 F664 I665 L671 S672Y285-Y668 AromaticContact CD1-CD1 3.86Å; Y285-Y668 HydrophobicContact CD1-CD1 3.86Å; Y285-Y668 HydrophobicContact CD1-CD2 4.21Å; Y285-Y668 AromaticContact CD1-CE1 3.85Å; Y285-Y668 HydrophobicContact CD1-CE1 3.85Å; Y285-Y668 HydrophobicContact CD1-CE2 4.2Å; Y285-Y668 HydrophobicContact CD1-CG 4.06Å; Y285-Y668 HydrophobicContact CG-CD1 4.49Å; Y285-Y668 HydrophobicContact CG-CE1 4.32Å; H286-Y668 PolarHBondContact N-OH 3.28Å; I603-Y668 HydrophobicContact CG2-CD2 3.83Å; I603-Y668 HydrophobicContact CG2-CE2 3.91Å; T604-Y668 WeakPolarHBondContact O-CD2 3.41Å; Y605-Y668 VanDerWaalsContact CA-CD1 3.42Å; F664-Y668 HydrophobicContact CD1-CD2 4.43Å; F664-Y668 AromaticContact CD1-CE2 3.89Å; F664-Y668 HydrophobicContact CD1-CE2 3.89Å; F664-Y668 VanDerWaalsContact O-CD2 3.24Å; F664-Y668 WeakPolarHBondContact O-CD2 3.32Å; F664-Y668 PolarHBondContact O-N 2.97Å; I665-Y668 PolarHBondContact O-N 3.29Å; Y668-L671 HydrophobicContact CD1-CD1 4.28Å; Y668-L671 PolarHBondContact O-N 3.02Å; Y668-S672 PolarHBondContact O-N 3.18Å
669I93.8Very high82.9Confident35 Ų3544.9 Ų44.918%0.17924%0.238CC..Hα-helixtrans-61.6-47.9171.8-68.4168000110F624 M627 W630 I665 G666 L671 S672 T673 L690F624-I669 HydrophobicContact CD2-CG1 3.98Å; F624-I669 HydrophobicContact CE2-CG1 4.15Å; M627-I669 HydrophobicContact SD-CD1 4.09Å; W630-I669 HydrophobicContact CE3-CD1 3.97Å; W630-I669 HydrophobicContact CH2-CD1 3.91Å; W630-I669 HydrophobicContact CZ3-CD1 3.38Å; I665-I669 HydrophobicContact CG2-CD1 3.87Å; I665-I669 VanDerWaalsContact O-CG1 3.32Å; I665-I669 WeakPolarHBondContact O-CG1 3.34Å; I665-I669 PolarHBondContact O-N 3.46Å; G666-I669 PolarHBondContact O-N 3.01Å; I669-L671 PolarHBondContact O-N 3.46Å; I669-S672 PolarHBondContact O-N 3.05Å; I669-S672 VanDerWaalsContact O-N 3.11Å; I669-S672 PolarHBondContact O-OG 3.36Å; I669-T673 WeakPolarHBondContact O-CG2 3.49Å; I669-T673 PolarHBondContact O-N 2.89Å; I669-L690 HydrophobicContact CG2-CD1 4.23Å; I669-L690 HydrophobicContact CG2-CD2 4.38Å
670F92.8Very high81.3Confident4 Ų452.6 Ų52.62%0.01827%0.274CS..Hα-helixtrans-54.7-49176.1175.9-102.1000112.2E136 G666 G667 S672 T673 L682 D683 M686 F687 L690E136-F670 HydrophobicContact CB-CE1 3.98Å; E136-F670 HydrophobicContact CG-CE1 4.15Å; G666-F670 WeakPolarHBondContact O-CB 3.43Å; G666-F670 PolarHBondContact O-N 2.92Å; G667-F670 WeakPolarHBondContact O-CB 3.16Å; G667-F670 PolarHBondContact O-N 3.24Å; F670-S672 VanDerWaalsContact C-N 3.27Å; F670-S672 PolarHBondContact O-N 3.43Å; F670-T673 PolarHBondContact O-N 3.23Å; F670-T673 PolarHBondContact O-OG1 2.91Å; F670-L682 HydrophobicContact CE1-CD1 3.85Å; F670-L682 HydrophobicContact CZ-CD1 3.73Å; F670-D683 VanDerWaalsContact CE2-O 3.28Å; F670-D683 WeakPolarHBondContact CE2-O 3.45Å; F670-M686 HydrophobicContact CD2-CB 4.45Å; F670-M686 HydrophobicContact CD2-CG 4.19Å; F670-M686 HydrophobicContact CE2-CB 4.27Å; F670-M686 HydrophobicContact CE2-CG 4.43Å; F670-F687 HydrophobicContact CB-CD2 4.33Å; F670-F687 HydrophobicContact CD1-CB 4.44Å; F670-F687 AromaticContact CD1-CD2 3.71Å; F670-F687 HydrophobicContact CD1-CD2 3.71Å; F670-F687 HydrophobicContact CD2-CB 3.98Å; F670-F687 HydrophobicContact CD2-CD2 4.47Å; F670-F687 HydrophobicContact CE1-CB 4.32Å; F670-F687 HydrophobicContact CE1-CD2 4.09Å; F670-F687 HydrophobicContact CE2-CB 3.85Å; F670-F687 HydrophobicContact CG-CB 4.27Å; F670-F687 AromaticContact CG-CD2 3.91Å; F670-F687 HydrophobicContact CG-CD2 3.91Å; F670-F687 HydrophobicContact CZ-CB 4.02Å; F670-L690 HydrophobicContact CB-CD1 3.83Å; F670-L690 HydrophobicContact CD2-CD1 4.36Å
671L91.7Very high80.3Confident9 Ų955.4 Ų55.45%0.04730%0.295CS..Hα-helixtrans-61-35.8178.2-73.3161.6000112.4E136 E137 Y285 G667 Y668 I669 T673 R674E136-L671 HydrophobicContact CB-CD2 4.5Å; E136-L671 HydrophobicContact CG-CD2 3.61Å; E137-L671 HydrophobicContact CG-CD2 4.11Å; Y285-L671 HydrophobicContact CD1-CD1 3.91Å; Y285-L671 HydrophobicContact CD2-CD1 3.82Å; Y285-L671 HydrophobicContact CG-CD1 3.38Å; G667-L671 WeakPolarHBondContact O-CD1 3.46Å; G667-L671 WeakPolarHBondContact O-CG 3.37Å; G667-L671 PolarHBondContact O-N 3.46Å; Y668-L671 HydrophobicContact CD1-CD1 4.28Å; Y668-L671 PolarHBondContact O-N 3.02Å; I669-L671 PolarHBondContact O-N 3.46Å; L671-T673 PolarHBondContact O-N 2.85Å; L671-R674 WeakPolarHBondContact O-CB 3.45Å; L671-R674 PolarHBondContact O-N 3.18Å
672S89.3Confident79.7Confident88 Ų8857 Ų5762%0.61530%0.303SS*.Hα-helixtrans-67.7-20176.977.30000114Y668 I669 F670 R674Y668-S672 PolarHBondContact O-N 3.18Å; I669-S672 PolarHBondContact O-N 3.05Å; I669-S672 VanDerWaalsContact O-N 3.11Å; I669-S672 PolarHBondContact O-OG 3.36Å; F670-S672 VanDerWaalsContact C-N 3.27Å; F670-S672 PolarHBondContact O-N 3.43Å; S672-R674 VanDerWaalsContact C-N 3.33Å
673T84.6Confident79.3Confident66 Ų6660.4 Ų60.441%0.40532%0.322SS..THydrogen-bonded Turntrans-83.9-8.7176.4670000113.4I669 F670 L671 A675 M686I669-T673 WeakPolarHBondContact O-CG2 3.49Å; I669-T673 PolarHBondContact O-N 2.89Å; F670-T673 PolarHBondContact O-N 3.23Å; F670-T673 PolarHBondContact O-OG1 2.91Å; L671-T673 PolarHBondContact O-N 2.85Å; T673-A675 PolarHBondContact O-N 2.96Å; T673-A675 VanDerWaalsContact O-N 3.08Å; T673-M686 HydrophobicContact CG2-CE 3.79Å
674R78.1Confident79Confident43 Ų4363.1 Ų63.116%0.16233%0.334CS..  trans-68.6105.6172.9-62.8-69.4-120.8169.83.2109E136 F289 L671 S672 L682E136-R674 VanDerWaalsContact CD-NH2 3.28Å; E136-R674 IonicContact OE1-CZ 3.36Å; E136-R674 IonicContact OE1-NE 3.46Å; E136-R674 PolarHBondContact OE1-NE 3.24Å; E136-R674 IonicContact OE1-NH2 3.78Å; E136-R674 PolarHBondContact OE1-NH2 3.16Å; E136-R674 IonicContact OE2-NH2 2.78Å; E136-R674 PolarHBondContact OE2-NH2 3.05Å; F289-R674 HydrophobicContact CD2-CB 3.96Å; F289-R674 HydrophobicContact CE2-CB 4.05Å; F289-R674 WeakPolarHBondContact CE2-O 2.8Å; F289-R674 HydrophobicContact CG-CB 4.41Å; L671-R674 WeakPolarHBondContact O-CB 3.45Å; L671-R674 PolarHBondContact O-N 3.18Å; S672-R674 VanDerWaalsContact C-N 3.33Å; R674-L682 VanDerWaalsContact NH2-CD1 3.32Å
675A63.3Low78.6Confident46 Ų4668.9 Ų68.938%0.3836%0.361SS..  trans-100.2149.2171.100000110.4T673 D677 Q678T673-A675 PolarHBondContact O-N 2.96Å; T673-A675 VanDerWaalsContact O-N 3.08Å; A675-D677 PolarHBondContact O-N 3.48Å; A675-D677 VanDerWaalsContact O-N 3.15Å; A675-Q678 HydrophobicContact CB-CB 4.48Å; A675-Q678 HydrophobicContact CB-CG 4.42Å; A675-Q678 PolarHBondContact O-N 3.03Å
676K56Low78.3Confident164 Ų16472 Ų7271%0.71338%0.376SS*.THydrogen-bonded Turntrans-61.9-19.8177.2-73.7-169.1172.4-1630114.1F289F289-K676 HydrophobicContact CE2-CG 4.17Å; F289-K676 HydrophobicContact CZ-CG 4.05Å
677D48.1Very low78.1Confident160 Ų16072 Ų7286%0.85638%0.377SS*.THydrogen-bonded Turntrans-104.32.5-171.9-52.9-37.4000113.6A675A675-D677 PolarHBondContact O-N 3.48Å; A675-D677 VanDerWaalsContact O-N 3.15Å
678Q47.3Very low77.9Confident150 Ų15073.2 Ų73.270%0.70138%0.381SS*.SBendtrans-121.6119.8-176.6-72-92.3-9.700110.2A675A675-Q678 HydrophobicContact CB-CB 4.48Å; A675-Q678 HydrophobicContact CB-CG 4.42Å; A675-Q678 PolarHBondContact O-N 3.03Å
679N49.2Very low77.6Confident121 Ų12178.1 Ų78.165%0.64740%0.403SS*.  trans29.2110.3167.4-92.8-3.8000117.1S681N679-S681 PolarHBondContact O-N 3.37Å
680E57.8Low77.5Confident189 Ų18978 Ų7888%0.88340%0.402SS*.SBendtrans-56.2-23167.4-66.2-179.116800112.6
681S70.5Confident77.4Confident74 Ų7477.8 Ų77.852%0.51740%0.401SS..SBendtrans-71.7128.2176.865.10000112.5N679 D683N679-S681 PolarHBondContact O-N 3.37Å; S681-D683 PolarHBondContact O-N 3.02Å
682L80.9Confident76.9Confident34 Ų3479.1 Ų79.118%0.17841%0.412CS..  trans-62.4123.1172.2-172.971.3000112F120 P135 E136 F670 R674 E684F120-L682 HydrophobicContact CE1-CD2 3.51Å; F120-L682 HydrophobicContact CE1-CG 4.19Å; F120-L682 HydrophobicContact CZ-CD1 4.19Å; F120-L682 HydrophobicContact CZ-CD2 3.55Å; F120-L682 HydrophobicContact CZ-CG 4.12Å; P135-L682 HydrophobicContact CG-CD2 4.38Å; E136-L682 HydrophobicContact CB-CD1 3.88Å; E136-L682 HydrophobicContact CG-CD1 4.06Å; E136-L682 WeakPolarHBondContact OE2-CD1 3.18Å; F670-L682 HydrophobicContact CE1-CD1 3.85Å; F670-L682 HydrophobicContact CZ-CD1 3.73Å; R674-L682 VanDerWaalsContact NH2-CD1 3.32Å; L682-E684 HydrophobicContact CD2-CG 4.19Å; L682-E684 HydrophobicContact CG-CG 4.39Å; L682-E684 PolarHBondContact O-N 2.97Å; L682-E684 VanDerWaalsContact O-N 3.13Å
683D87Confident75.7Confident81 Ų8175.6 Ų75.643%0.43339%0.389SS..  trans-81.684.1171.7-171.4-16.2000110.3F670 S681 E685 M686 F687F670-D683 VanDerWaalsContact CE2-O 3.28Å; F670-D683 WeakPolarHBondContact CE2-O 3.45Å; S681-D683 PolarHBondContact O-N 3.02Å; D683-E685 PolarHBondContact O-N 3.37Å; D683-E685 PolarHBondContact OD1-N 3.17Å; D683-M686 HydrophobicContact CB-CB 4.08Å; D683-M686 PolarHBondContact O-N 3.21Å; D683-M686 PolarHBondContact OD1-N 3.48Å; D683-M686 WeakPolarHBondContact OD2-CB 3.41Å; D683-F687 PolarHBondContact O-N 3.07Å
684E87.9Confident74.2Confident60 Ų6083.9 Ų83.928%0.2841%0.413SS..Hα-helixtrans-61.8-32.9178.9-54-168.8-169.600112.2F120 L682 F687 Y688F120-E684 HydrophobicContact CD1-CG 4.43Å; F120-E684 HydrophobicContact CE1-CB 4.24Å; F120-E684 HydrophobicContact CE1-CG 4.02Å; L682-E684 HydrophobicContact CD2-CG 4.19Å; L682-E684 HydrophobicContact CG-CG 4.39Å; L682-E684 PolarHBondContact O-N 2.97Å; L682-E684 VanDerWaalsContact O-N 3.13Å; E684-F687 PolarHBondContact O-N 3.42Å; E684-Y688 HydrophobicContact CB-CD2 4.41Å; E684-Y688 HydrophobicContact CB-CE2 3.96Å; E684-Y688 WeakPolarHBondContact O-CD2 3.17Å; E684-Y688 PolarHBondContact O-N 3.48Å
685E88.4Confident72.2Confident121 Ų12191.6 Ų91.657%0.56547%0.465SS*.Hα-helixtrans-67.9-43.8-178-166.3-172.6148.700110.9D683 Y688 K689D683-E685 PolarHBondContact O-N 3.37Å; D683-E685 PolarHBondContact OD1-N 3.17Å; E685-Y688 PolarHBondContact O-N 3.08Å; E685-K689 WeakPolarHBondContact O-CG 3.49Å; E685-K689 PolarHBondContact O-N 3.41Å; E685-K689 WeakPolarHBondContact OE1-CE 3.34Å; E685-K689 IonicContact OE1-NZ 2.75Å; E685-K689 PolarHBondContact OE1-NZ 3.1Å
686M89.8Confident72.7Confident64 Ų6493.9 Ų93.932%0.31547%0.469SS..Hα-helixtrans-62.6-41.5173.7-175.2174.5-176.200111.7F670 T673 D683 Y688 K689 L690F670-M686 HydrophobicContact CD2-CB 4.45Å; F670-M686 HydrophobicContact CD2-CG 4.19Å; F670-M686 HydrophobicContact CE2-CB 4.27Å; F670-M686 HydrophobicContact CE2-CG 4.43Å; T673-M686 HydrophobicContact CG2-CE 3.79Å; D683-M686 HydrophobicContact CB-CB 4.08Å; D683-M686 PolarHBondContact O-N 3.21Å; D683-M686 PolarHBondContact OD1-N 3.48Å; D683-M686 WeakPolarHBondContact OD2-CB 3.41Å; M686-Y688 VanDerWaalsContact C-N 3.35Å; M686-Y688 PolarHBondContact O-N 3.2Å; M686-K689 PolarHBondContact O-N 3.27Å; M686-L690 HydrophobicContact CE-CD1 4.23Å; M686-L690 HydrophobicContact CG-CD1 4.15Å; M686-L690 WeakPolarHBondContact O-CG 3.4Å; M686-L690 PolarHBondContact O-N 2.95Å; M686-L690 VanDerWaalsContact O-N 3.08Å
687F91.9Very high73.6Confident2 Ų290.2 Ų90.21%0.00946%0.456CS..Hα-helixtrans-57.6-47.9174178.9-93.8000111.2F120 F670 D683 E684 K689 L690 T691F120-F687 HydrophobicContact CB-CD1 4.39Å; F120-F687 HydrophobicContact CB-CE1 4.02Å; F120-F687 AromaticContact CD1-CD1 3.88Å; F120-F687 HydrophobicContact CD1-CD1 3.88Å; F120-F687 HydrophobicContact CD1-CE1 4.26Å; F120-F687 HydrophobicContact CD1-CG 4.44Å; F120-F687 AromaticContact CD2-CD1 3.73Å; F120-F687 HydrophobicContact CD2-CD1 3.73Å; F120-F687 HydrophobicContact CD2-CD2 4.43Å; F120-F687 AromaticContact CD2-CE1 3.36Å; F120-F687 HydrophobicContact CD2-CE1 3.36Å; F120-F687 HydrophobicContact CD2-CE2 4.12Å; F120-F687 HydrophobicContact CD2-CG 4.25Å; F120-F687 AromaticContact CD2-CZ 3.57Å; F120-F687 HydrophobicContact CD2-CZ 3.57Å; F120-F687 HydrophobicContact CE1-CB 4.2Å; F120-F687 AromaticContact CE1-CD1 3.94Å; F120-F687 HydrophobicContact CE1-CD1 3.94Å; F120-F687 HydrophobicContact CE1-CG 4.04Å; F120-F687 AromaticContact CE2-CD1 3.8Å; F120-F687 HydrophobicContact CE2-CD1 3.8Å; F120-F687 AromaticContact CE2-CD2 3.81Å; F120-F687 HydrophobicContact CE2-CD2 3.81Å; F120-F687 AromaticContact CE2-CE1 3.74Å; F120-F687 HydrophobicContact CE2-CE1 3.74Å; F120-F687 AromaticContact CE2-CE2 3.74Å; F120-F687 HydrophobicContact CE2-CE2 3.74Å; F120-F687 AromaticContact CE2-CG 3.84Å; F120-F687 HydrophobicContact CE2-CG 3.84Å; F120-F687 AromaticContact CE2-CZ 3.7Å; F120-F687 HydrophobicContact CE2-CZ 3.7Å; F120-F687 AromaticContact CG-CD1 3.75Å; F120-F687 HydrophobicContact CG-CD1 3.75Å; F120-F687 AromaticContact CG-CE1 3.63Å; F120-F687 HydrophobicContact CG-CE1 3.63Å; F120-F687 HydrophobicContact CG-CZ 4.31Å; F120-F687 HydrophobicContact CZ-CB 4.1Å; F120-F687 AromaticContact CZ-CD1 3.88Å; F120-F687 HydrophobicContact CZ-CD1 3.88Å; F120-F687 AromaticContact CZ-CD2 3.96Å; F120-F687 HydrophobicContact CZ-CD2 3.96Å; F120-F687 HydrophobicContact CZ-CE1 4.31Å; F120-F687 HydrophobicContact CZ-CE2 4.36Å; F120-F687 AromaticContact CZ-CG 3.69Å; F120-F687 HydrophobicContact CZ-CG 3.69Å; F670-F687 HydrophobicContact CB-CD2 4.33Å; F670-F687 HydrophobicContact CD1-CB 4.44Å; F670-F687 AromaticContact CD1-CD2 3.71Å; F670-F687 HydrophobicContact CD1-CD2 3.71Å; F670-F687 HydrophobicContact CD2-CB 3.98Å; F670-F687 HydrophobicContact CD2-CD2 4.47Å; F670-F687 HydrophobicContact CE1-CB 4.32Å; F670-F687 HydrophobicContact CE1-CD2 4.09Å; F670-F687 HydrophobicContact CE2-CB 3.85Å; F670-F687 HydrophobicContact CG-CB 4.27Å; F670-F687 AromaticContact CG-CD2 3.91Å; F670-F687 HydrophobicContact CG-CD2 3.91Å; F670-F687 HydrophobicContact CZ-CB 4.02Å; D683-F687 PolarHBondContact O-N 3.07Å; E684-F687 PolarHBondContact O-N 3.42Å; F687-K689 PolarHBondContact O-N 3.26Å; F687-L690 PolarHBondContact O-N 3.18Å; F687-T691 HydrophobicContact CD1-CG2 4.44Å; F687-T691 HydrophobicContact CD2-CG2 4.17Å; F687-T691 HydrophobicContact CE1-CG2 4.07Å; F687-T691 WeakPolarHBondContact CE1-OG1 3.21Å; F687-T691 HydrophobicContact CE2-CG2 3.81Å; F687-T691 HydrophobicContact CG-CG2 4.49Å; F687-T691 HydrophobicContact CZ-CG2 3.75Å; F687-T691 WeakPolarHBondContact O-CB 3.34Å; F687-T691 WeakPolarHBondContact O-CG2 3.4Å; F687-T691 PolarHBondContact O-N 3.42Å; F687-T691 PolarHBondContact O-OG1 3.27Å
688Y91.8Very high75Confident24 Ų2486.3 Ų86.39%0.09443%0.434CS..Hα-helixtrans-65.3-38.5177.8-65.6-53.8000112.4R118 F120 E684 E685 M686 L690 T691 S692R118-Y688 HydrophobicContact CB-CE1 4.24Å; R118-Y688 VanDerWaalsContact CD-CE1 3.44Å; R118-Y688 VanDerWaalsContact CD-CZ 3.48Å; R118-Y688 HydrophobicContact CG-CE1 4.49Å; F120-Y688 HydrophobicContact CB-CE1 4.02Å; F120-Y688 HydrophobicContact CD1-CE1 4.48Å; E684-Y688 HydrophobicContact CB-CD2 4.41Å; E684-Y688 HydrophobicContact CB-CE2 3.96Å; E684-Y688 WeakPolarHBondContact O-CD2 3.17Å; E684-Y688 PolarHBondContact O-N 3.48Å; E685-Y688 PolarHBondContact O-N 3.08Å; M686-Y688 VanDerWaalsContact C-N 3.35Å; M686-Y688 PolarHBondContact O-N 3.2Å; Y688-L690 VanDerWaalsContact C-N 3.25Å; Y688-L690 PolarHBondContact O-N 3.44Å; Y688-T691 PolarHBondContact O-N 2.96Å; Y688-S692 VanDerWaalsContact O-CB 3.25Å; Y688-S692 WeakPolarHBondContact O-CB 3.28Å; Y688-S692 PolarHBondContact O-N 3.17Å; Y688-S692 PolarHBondContact O-OG 2.99Å
689K90.3Very high76.6Confident105 Ų10582.6 Ų82.646%0.45742%0.418SS..Hα-helixtrans-57.5-40.5175.1-77172.4-177.8163.10111.8E685 M686 F687E685-K689 WeakPolarHBondContact O-CG 3.49Å; E685-K689 PolarHBondContact O-N 3.41Å; E685-K689 WeakPolarHBondContact OE1-CE 3.34Å; E685-K689 IonicContact OE1-NZ 2.75Å; E685-K689 PolarHBondContact OE1-NZ 3.1Å; M686-K689 PolarHBondContact O-N 3.27Å; F687-K689 PolarHBondContact O-N 3.26Å
690L91.1Very high78.3Confident32 Ų3280.2 Ų80.217%0.16840%0.404CS..Hα-helixtrans-79.1-28.1-179.6-65.4169.6000113.2W630 H662 I669 F670 M686 F687 Y688W630-L690 HydrophobicContact CH2-CD2 3.97Å; W630-L690 WeakPolarHBondContact CZ2-O 3.23Å; H662-L690 PolarHBondContact NE2-O 3.33Å; I669-L690 HydrophobicContact CG2-CD1 4.23Å; I669-L690 HydrophobicContact CG2-CD2 4.38Å; F670-L690 HydrophobicContact CB-CD1 3.83Å; F670-L690 HydrophobicContact CD2-CD1 4.36Å; M686-L690 HydrophobicContact CE-CD1 4.23Å; M686-L690 HydrophobicContact CG-CD1 4.15Å; M686-L690 WeakPolarHBondContact O-CG 3.4Å; M686-L690 PolarHBondContact O-N 2.95Å; M686-L690 VanDerWaalsContact O-N 3.08Å; F687-L690 PolarHBondContact O-N 3.18Å; Y688-L690 VanDerWaalsContact C-N 3.25Å; Y688-L690 PolarHBondContact O-N 3.44Å
691T90.6Very high79.7Confident0 Ų072.9 Ų72.90%037%0.372CS..Hα-helixtrans-110.3-23.1-170.258.80000115.1K659 H662 E663 F687 Y688K659-T691 PolarHBondContact NZ-O 3.01Å; H662-T691 PolarHBondContact CD2-O 3.15Å; H662-T691 PolarHBondContact NE2-O 2.94Å; E663-T691 HydrophobicContact CG-CG2 3.9Å; F687-T691 HydrophobicContact CD1-CG2 4.44Å; F687-T691 HydrophobicContact CD2-CG2 4.17Å; F687-T691 HydrophobicContact CE1-CG2 4.07Å; F687-T691 WeakPolarHBondContact CE1-OG1 3.21Å; F687-T691 HydrophobicContact CE2-CG2 3.81Å; F687-T691 HydrophobicContact CG-CG2 4.49Å; F687-T691 HydrophobicContact CZ-CG2 3.75Å; F687-T691 WeakPolarHBondContact O-CB 3.34Å; F687-T691 WeakPolarHBondContact O-CG2 3.4Å; F687-T691 PolarHBondContact O-N 3.42Å; F687-T691 PolarHBondContact O-OG1 3.27Å; Y688-T691 PolarHBondContact O-N 2.96Å
692S81.3Confident80.4Confident38 Ų3872.9 Ų72.927%0.26636%0.362SS..Hα-helixtrans-85.9-17.3-178.868.10000113.6K659 Y688K659-S692 VanDerWaalsContact NZ-C 3.26Å; K659-S692 VanDerWaalsContact NZ-CA 3.29Å; K659-S692 PolarHBondContact NZ-O 2.87Å; Y688-S692 VanDerWaalsContact O-CB 3.25Å; Y688-S692 WeakPolarHBondContact O-CB 3.28Å; Y688-S692 PolarHBondContact O-N 3.17Å; Y688-S692 PolarHBondContact O-OG 2.99Å
693G63.4Low80.3Confident14 Ų1475.8 Ų75.814%0.14438%0.376CS..  trans87.5152.3-171.700000110.9V695G693-V695 PolarHBondContact O-N 3.15Å
694W53.6Low79.8Confident239 Ų23975.4 Ų75.491%0.90537%0.371SS*.  trans-73.7103.3166.5-61.184.6000106.6
695V37.1Very low79Confident206 Ų20676.8 Ų76.8100%1.24838%0.379SS*.  trans-76.60170.7-179.50000109.4G693G693-V695 PolarHBondContact O-N 3.15Å

Retrieved 695 of 695 residues in 834.7 ms (Link to these results)

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