A0A096LPI8_HUMAN Loading...

Cdc42 guanine nucleotide exchange factor 9

AlphaFold DB , UniProt , Accession A0A096LPI8, Species HUMAN (Homo sapiens, Human), Gene ARHGEF9, Length 136 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
1M37.6Very low53.4Low232 Ų232111.2 Ų111.2100%1.14364%0.641SS**  097.60-168.697.6167.200105.4L3M1-L3 PolarHBondContact O-N 3.36Å
2T39.3Very low56.5Low125 Ų125103.9 Ų103.977%0.76760%0.602SS**  trans-74.2113.3174.3-46.60000105.6L4T2-L4 VanDerWaalsContact C-N 3.31Å; T2-L4 PolarHBondContact O-N 3.04Å
3L49.2Very low59.4Low108 Ų10895.9 Ų95.957%0.56556%0.555SS**  trans-61.798.8173.7-77.1159000106.8M1 I5 L64M1-L3 PolarHBondContact O-N 3.36Å; L3-I5 PolarHBondContact O-N 3.44Å; L3-L64 HydrophobicContact CD1-CD1 3.77Å
4L47.4Very low62Low142 Ų14292.9 Ų92.974%0.74353%0.533SS*.  trans-70.998.8171.6-63.1171.7000105.5T2 T6T2-L4 VanDerWaalsContact C-N 3.31Å; T2-L4 PolarHBondContact O-N 3.04Å; L4-T6 WeakPolarHBondContact CB-OG1 3.22Å; L4-T6 PolarHBondContact O-N 3.26Å; L4-T6 PolarHBondContact O-OG1 3.3Å
5I57.2Low64.4Low69 Ų6986.8 Ų86.835%0.35450%0.499SS..  trans-64.790.2169.2-54.1-167.9000105.7L3 V11 V37 A40L3-I5 PolarHBondContact O-N 3.44Å; I5-V11 HydrophobicContact CD1-CB 4.18Å; I5-V11 HydrophobicContact CD1-CG2 3.84Å; I5-V11 HydrophobicContact CG1-CG2 4.21Å; I5-V11 HydrophobicContact CG2-CG2 4.3Å; I5-V37 HydrophobicContact CD1-CG1 4.3Å; I5-A40 HydrophobicContact CD1-CB 3.62Å; I5-A40 HydrophobicContact CG1-CB 4.34Å
6T47.4Very low66.5Low109 Ų10985 Ų8567%0.66949%0.49SS*.  trans-110.5100.8-173.1-30.40000106.8L4L4-T6 WeakPolarHBondContact CB-OG1 3.22Å; L4-T6 PolarHBondContact O-N 3.26Å; L4-T6 PolarHBondContact O-OG1 3.3Å
7G50.7Low68.3Low66 Ų6688.7 Ų88.768%0.6849%0.494SS*.SBendtrans59.9111.8164.700000117S9G7-S9 VanDerWaalsContact C-N 3.35Å; G7-S9 PolarHBondContact O-N 2.79Å
8D52.8Low70Confident174 Ų17487.7 Ų87.793%0.9349%0.488SS*.SBendtrans71.4-10.4168-86.117.8000120I10D8-I10 PolarHBondContact O-N 2.9Å
9S59.2Low71.5Confident86 Ų8684.2 Ų84.260%0.60147%0.467SS*.  trans-82.299.7169-58.10000110.6G7 V11G7-S9 VanDerWaalsContact C-N 3.35Å; G7-S9 PolarHBondContact O-N 2.79Å; S9-V11 PolarHBondContact O-N 3.48Å
10I62.3Low72.7Confident86 Ų8685.8 Ų85.844%0.44148%0.479SS..PPolyproline II helixtrans-61.8122168.4-66.2166.5000107.5D8 K36 Q68D8-I10 PolarHBondContact O-N 2.9Å; I10-K36 HydrophobicContact CG2-CD 4.07Å; I10-K36 HydrophobicContact CG2-CG 3.62Å; I10-Q68 PolarHBondContact O-NE2 2.85Å; I10-Q68 PolarHBondContact O-OE1 3.3Å
11V83.9Confident73.8Confident26 Ų2683.3 Ų83.316%0.15847%0.466CS..EExtended strand (participates in β ladder)trans-103.3123.6176.2-171.50000108.6I5 S9 V37 L64I5-V11 HydrophobicContact CD1-CB 4.18Å; I5-V11 HydrophobicContact CD1-CG2 3.84Å; I5-V11 HydrophobicContact CG1-CG2 4.21Å; I5-V11 HydrophobicContact CG2-CG2 4.3Å; S9-V11 PolarHBondContact O-N 3.48Å; V11-V37 WeakPolarHBondContact O-CB 3.5Å; V11-V37 WeakPolarHBondContact O-CG2 3.28Å; V11-V37 PolarHBondContact O-N 2.96Å; V11-L64 HydrophobicContact CG1-CD2 3.79Å
12S91Very high76.5Confident24 Ų2481.1 Ų81.117%0.16846%0.455CS..EExtended strand (participates in β ladder)trans-90.1143.7172.3-60.30000110.4W65S12-W65 PolarHBondContact O-N 3.47Å
13A94.2Very high79Confident0 Ų077.2 Ų77.20%044%0.435CS..EExtended strand (participates in β ladder)trans-129.3144174.800000110.1V34 I35 V37 V62 R63 L64A13-V34 CarbonylContact O-C 3.51Å; A13-V34 WeakPolarHBondContact O-CA 3.38Å; A13-I35 PolarHBondContact N-O 3.34Å; A13-I35 PolarHBondContact O-N 3.02Å; A13-V37 HydrophobicContact CB-CG2 3.81Å; A13-V62 HydrophobicContact CB-CB 3.9Å; A13-V62 HydrophobicContact CB-CG2 3.83Å; A13-R63 CarbonylContact C-O 3.51Å; A13-R63 WeakPolarHBondContact CA-O 3.36Å; A13-L64 HydrophobicContact CB-CD2 3.99Å
14E96.1Very high81Confident53 Ų5380.1 Ų80.125%0.24845%0.452CS..EExtended strand (participates in β ladder)trans-102.2130.8174.3176-169.5-178.100109.6V16 D33 V62 R63 W65E14-V16 PolarHBondContact O-N 3.11Å; E14-D33 WeakPolarHBondContact CA-O 3.42Å; E14-V62 CarbonylContact O-C 3.57Å; E14-V62 VanDerWaalsContact O-CA 3.28Å; E14-V62 WeakPolarHBondContact O-CA 3.24Å; E14-R63 PolarHBondContact N-O 2.98Å; E14-R63 PolarHBondContact O-N 2.89Å; E14-R63 IonicContact OE1-NH2 2.73Å; E14-R63 IonicContact OE2-CZ 3.6Å; E14-R63 IonicContact OE2-NE 2.98Å; E14-R63 IonicContact OE2-NH2 3.8Å; E14-R63 PolarHBondContact OE2-NH2 3.42Å; E14-W65 HydrophobicContact CB-CZ2 4.15Å; E14-W65 VanDerWaalsContact CB-NE1 3.28Å; E14-W65 PolarHBondContact OE2-NE1 2.93Å
15A97.5Very high83.3Confident2 Ų282.9 Ų82.92%0.01745%0.452CS..EExtended strand (participates in β ladder)trans-65.1122.1174.400000110.8F29 K30 G32 D33A15-F29 HydrophobicContact CB-CD2 3.46Å; A15-F29 VanDerWaalsContact CB-CD2 3.46Å; A15-F29 HydrophobicContact CB-CE2 3.67Å; A15-F29 HydrophobicContact CB-CG 4.46Å; A15-K30 VanDerWaalsContact CB-O 3.24Å; A15-K30 WeakPolarHBondContact CB-O 3.48Å; A15-G32 PolarHBondContact O-N 3.06Å; A15-D33 HydrophobicContact CB-CB 4.46Å; A15-D33 PolarHBondContact N-O 3.47Å
16V97.8Very high85.2Confident58 Ų5882.4 Ų82.435%0.35245%0.449SS..SBendtrans-86.7-26.3175.6-174.40000110.7E14 F61 R63E14-V16 PolarHBondContact O-N 3.11Å; V16-F61 PolarHBondContact N-O 2.78Å; V16-R63 HydrophobicContact CG2-CB 3.74Å
17W98.1Very high87.6Confident148 Ų14877.4 Ų77.456%0.56142%0.418SS*.SBendtrans-138.1160.8178.8-57.6-56.1000111.5F29 S60 F61W17-F29 WeakPolarHBondContact O-CE2 3.32Å; W17-S60 WeakPolarHBondContact CZ3-O 3.14Å; W17-F61 HydrophobicContact CB-CD2 4.12Å; W17-F61 HydrophobicContact CE3-CD1 4.49Å; W17-F61 HydrophobicContact CE3-CG 4.34Å; W17-F61 PolarHBondContact N-O 3.08Å
18D98.1Very high89.8Confident71 Ų7176.6 Ų76.638%0.3840%0.404SS..  trans-67.7135.7171.9-71.210.4000111V20 F29 K30 A31 F61D18-V20 HydrophobicContact CB-CG2 4.36Å; D18-F29 WeakPolarHBondContact CA-O 3.46Å; D18-K30 HydrophobicContact CB-CD 4.35Å; D18-K30 VanDerWaalsContact CG-CD 3.44Å; D18-K30 WeakPolarHBondContact OD1-CA 3.31Å; D18-K30 VanDerWaalsContact OD2-CD 3.22Å; D18-K30 WeakPolarHBondContact OD2-CD 3.26Å; D18-K30 IonicContact OD2-NZ 3.79Å; D18-K30 PolarHBondContact OD2-NZ 3.11Å; D18-A31 PolarHBondContact OD1-N 2.92Å; D18-F61 WeakPolarHBondContact O-CE2 3.46Å
19H97.8Very high92Very high20 Ų2068.8 Ų68.89%0.09336%0.362CS..BIsolated β-bridgetrans-110.498.6164.5-171.959.9000109.4E26 L27 A28 F29 F61H19-E26 IonicContact CE1-OE2 3.99Å; H19-E26 IonicContact NE2-OE2 3.06Å; H19-E26 PolarHBondContact NE2-OE2 3.32Å; H19-L27 PolarHBondContact CD2-O 3.39Å; H19-L27 VanDerWaalsContact CD2-O 3.28Å; H19-A28 WeakPolarHBondContact O-CA 3.41Å; H19-F29 HydrophobicContact CB-CD1 4.04Å; H19-F29 HydrophobicContact CB-CD2 4.07Å; H19-F29 HydrophobicContact CB-CE1 3.59Å; H19-F29 HydrophobicContact CB-CE2 3.62Å; H19-F29 HydrophobicContact CB-CG 4.27Å; H19-F29 HydrophobicContact CB-CZ 3.37Å; H19-F29 PolarHBondContact N-O 3.14Å; H19-F29 PolarHBondContact O-N 2.85Å; H19-F61 HydrophobicContact CB-CD2 4.16Å
20V96.8Very high93.8Very high117 Ų11769.9 Ų69.971%0.70936%0.356SS*.  trans-95116.4178.4-177.20000108.8D18D18-V20 HydrophobicContact CB-CG2 4.36Å
21T94.3Very high95.5Very high34 Ų3468.3 Ų68.321%0.20936%0.356CS..  trans-139.1152-178.8-173.10000111.1A23 E26 A28T21-A23 PolarHBondContact OG1-N 3.06Å; T21-E26 WeakPolarHBondContact CB-OE2 3.44Å; T21-E26 HydrophobicContact CG2-CB 3.57Å; T21-E26 PolarHBondContact OG1-OE2 2.85Å; T21-A28 HydrophobicContact CG2-CB 3.97Å
22M94.3Very high96.1Very high185 Ų18569 Ų6991%0.91137%0.369SS*.  trans-111.32.4171.4-61.4-177.670.600111.5
23A93.6Very high96.4Very high43 Ų4370.8 Ų70.836%0.35538%0.377SS..  trans-81.4122.3-178.100000110.1T21 R25 E26T21-A23 PolarHBondContact OG1-N 3.06Å; A23-R25 PolarHBondContact O-N 2.77Å; A23-E26 HydrophobicContact CB-CB 4.27Å; A23-E26 HydrophobicContact CB-CG 3.97Å; A23-E26 PolarHBondContact O-N 2.79Å
24N90.6Very high96.5Very high170 Ų17073.9 Ų73.991%0.90940%0.395SS*.THydrogen-bonded Turntrans-61.8-4.3-177.2-58.91.5000115.4
25R94.6Very high96.5Very high199 Ų19971.4 Ų71.475%0.75138%0.383SS*.THydrogen-bonded Turntrans-109.1-4.6178.5-64.3-172.9179.9-139.9-0.1112.6A23 W56A23-R25 PolarHBondContact O-N 2.77Å; R25-W56 PolarHBondContact O-N 2.79Å
26E97.7Very high96.4Very high60 Ų6075 Ų7528%0.2840%0.399SS..BIsolated β-bridgetrans-104.9145.8-179.3-66.8-179-158.500110.4H19 T21 A23 W45 W56H19-E26 IonicContact CE1-OE2 3.99Å; H19-E26 IonicContact NE2-OE2 3.06Å; H19-E26 PolarHBondContact NE2-OE2 3.32Å; T21-E26 WeakPolarHBondContact CB-OE2 3.44Å; T21-E26 HydrophobicContact CG2-CB 3.57Å; T21-E26 PolarHBondContact OG1-OE2 2.85Å; A23-E26 HydrophobicContact CB-CB 4.27Å; A23-E26 HydrophobicContact CB-CG 3.97Å; A23-E26 PolarHBondContact O-N 2.79Å; E26-W45 HydrophobicContact CG-CH2 4.49Å; E26-W45 HydrophobicContact CG-CZ3 4.08Å; E26-W56 CarbonylContact C-O 3.56Å; E26-W56 WeakPolarHBondContact CA-O 3.41Å; E26-W56 WeakPolarHBondContact CB-O 3.25Å
27L97.9Very high96.2Very high3 Ų372.5 Ų72.52%0.01638%0.384CS..  trans-90.9112.5-179.8-172.766.8000109.5H19 F29 I35 I50 E53 W56 F57H19-L27 PolarHBondContact CD2-O 3.39Å; H19-L27 VanDerWaalsContact CD2-O 3.28Å; L27-F29 HydrophobicContact CG-CD1 4.46Å; L27-F29 VanDerWaalsContact O-CD1 3.26Å; L27-F29 WeakPolarHBondContact O-CD1 3.46Å; L27-F29 WeakPolarHBondContact O-CE1 3.24Å; L27-I35 HydrophobicContact CD2-CG2 3.89Å; L27-I50 HydrophobicContact CD2-CD1 4.05Å; L27-I50 HydrophobicContact CD2-CG1 4.06Å; L27-I50 HydrophobicContact CG-CD1 4.23Å; L27-E53 HydrophobicContact CD1-CB 4.07Å; L27-E53 WeakPolarHBondContact CD1-O 3.21Å; L27-W56 PolarHBondContact N-O 3.21Å; L27-F57 HydrophobicContact CB-CB 4.5Å; L27-F57 HydrophobicContact CD2-CD1 4.31Å
28A97.8Very high95.9Very high49 Ų4968.8 Ų68.841%0.40537%0.374SS..  trans-81.3141.4175.400000111.2H19 T21H19-A28 WeakPolarHBondContact O-CA 3.41Å; T21-A28 HydrophobicContact CG2-CB 3.97Å
29F98Very high95.6Very high10 Ų1068.4 Ų68.44%0.04437%0.373CS..BIsolated β-bridgetrans-158.5168177.953-97.9000113.1A15 W17 D18 H19 L27 D33 I35 I50 F57 F61 V62A15-F29 HydrophobicContact CB-CD2 3.46Å; A15-F29 VanDerWaalsContact CB-CD2 3.46Å; A15-F29 HydrophobicContact CB-CE2 3.67Å; A15-F29 HydrophobicContact CB-CG 4.46Å; W17-F29 WeakPolarHBondContact O-CE2 3.32Å; D18-F29 WeakPolarHBondContact CA-O 3.46Å; H19-F29 HydrophobicContact CB-CD1 4.04Å; H19-F29 HydrophobicContact CB-CD2 4.07Å; H19-F29 HydrophobicContact CB-CE1 3.59Å; H19-F29 HydrophobicContact CB-CE2 3.62Å; H19-F29 HydrophobicContact CB-CG 4.27Å; H19-F29 HydrophobicContact CB-CZ 3.37Å; H19-F29 PolarHBondContact N-O 3.14Å; H19-F29 PolarHBondContact O-N 2.85Å; L27-F29 HydrophobicContact CG-CD1 4.46Å; L27-F29 VanDerWaalsContact O-CD1 3.26Å; L27-F29 WeakPolarHBondContact O-CD1 3.46Å; L27-F29 WeakPolarHBondContact O-CE1 3.24Å; F29-D33 HydrophobicContact CB-CB 4.21Å; F29-D33 WeakPolarHBondContact CB-OD2 3.29Å; F29-I35 HydrophobicContact CD1-CD1 3.53Å; F29-I35 HydrophobicContact CD2-CD1 4.18Å; F29-I35 HydrophobicContact CE1-CD1 3.6Å; F29-I35 HydrophobicContact CE2-CD1 4.23Å; F29-I35 HydrophobicContact CG-CD1 3.83Å; F29-I35 HydrophobicContact CZ-CD1 3.95Å; F29-I50 HydrophobicContact CB-CD1 3.57Å; F29-I50 HydrophobicContact CD1-CD1 4.37Å; F29-I50 HydrophobicContact CG-CD1 4.33Å; F29-F57 HydrophobicContact CE1-CB 3.56Å; F29-F57 HydrophobicContact CE1-CD2 4.17Å; F29-F57 HydrophobicContact CE1-CG 4.01Å; F29-F57 HydrophobicContact CZ-CB 4.19Å; F29-F57 HydrophobicContact CZ-CD2 4.25Å; F29-F61 HydrophobicContact CE2-CB 4.25Å; F29-F61 HydrophobicContact CZ-CB 4.14Å; F29-V62 HydrophobicContact CE2-CG1 4.46Å; F29-V62 HydrophobicContact CZ-CG1 4.24Å
30K98.3Very high95.3Very high109 Ų10968.8 Ų68.847%0.47438%0.379SS..  trans-107.3153.8175.3-65.2-55-169.3-177.10111.8A15 D18 G32 D33A15-K30 VanDerWaalsContact CB-O 3.24Å; A15-K30 WeakPolarHBondContact CB-O 3.48Å; D18-K30 HydrophobicContact CB-CD 4.35Å; D18-K30 VanDerWaalsContact CG-CD 3.44Å; D18-K30 WeakPolarHBondContact OD1-CA 3.31Å; D18-K30 VanDerWaalsContact OD2-CD 3.22Å; D18-K30 WeakPolarHBondContact OD2-CD 3.26Å; D18-K30 IonicContact OD2-NZ 3.79Å; D18-K30 PolarHBondContact OD2-NZ 3.11Å; K30-G32 PolarHBondContact O-N 3.4Å; K30-D33 PolarHBondContact N-OD2 2.89Å; K30-D33 WeakPolarHBondContact O-CB 3.36Å; K30-D33 VanDerWaalsContact O-CG 3.29Å; K30-D33 PolarHBondContact O-N 3.48Å
31A97.8Very high95Very high54 Ų5468.1 Ų68.145%0.44638%0.379SS..THydrogen-bonded Turntrans-55.3130.4171.100000110.4D18D18-A31 PolarHBondContact OD1-N 2.92Å
32G96.7Very high94.9Very high41 Ų4170 Ų7042%0.42339%0.388SS..THydrogen-bonded Turntrans97.3-14.3-174.600000114.8A15 K30A15-G32 PolarHBondContact O-N 3.06Å; K30-G32 PolarHBondContact O-N 3.4Å
33D97.2Very high94.7Very high61 Ų6169.1 Ų69.133%0.32638%0.38SS..  trans-66.1142.3176.6-68.4-15000110.9E14 A15 F29 K30 I50E14-D33 WeakPolarHBondContact CA-O 3.42Å; A15-D33 HydrophobicContact CB-CB 4.46Å; A15-D33 PolarHBondContact N-O 3.47Å; F29-D33 HydrophobicContact CB-CB 4.21Å; F29-D33 WeakPolarHBondContact CB-OD2 3.29Å; K30-D33 PolarHBondContact N-OD2 2.89Å; K30-D33 WeakPolarHBondContact O-CB 3.36Å; K30-D33 VanDerWaalsContact O-CG 3.29Å; K30-D33 PolarHBondContact O-N 3.48Å; D33-I50 HydrophobicContact CB-CD1 4.4Å
34V95.8Very high94.8Very high65 Ų6571.2 Ų71.239%0.39439%0.385SS..EExtended strand (participates in β ladder)trans-99122.4177.2-177.50000109.2A13 W65A13-V34 CarbonylContact O-C 3.51Å; A13-V34 WeakPolarHBondContact O-CA 3.38Å; V34-W65 HydrophobicContact CG1-CH2 4.17Å; V34-W65 HydrophobicContact CG1-CZ3 4.31Å; V34-W65 HydrophobicContact CG2-CH2 3.56Å; V34-W65 HydrophobicContact CG2-CZ2 3.73Å; V34-W65 HydrophobicContact CG2-CZ3 4.46Å
35I96.3Very high95.1Very high0 Ų067.8 Ų67.80%036%0.359CS..EExtended strand (participates in β ladder)trans-110.4128.4-175.7-45.6-171.8000108.7A13 L27 F29 V37 I50 F57 V62A13-I35 PolarHBondContact N-O 3.34Å; A13-I35 PolarHBondContact O-N 3.02Å; L27-I35 HydrophobicContact CD2-CG2 3.89Å; F29-I35 HydrophobicContact CD1-CD1 3.53Å; F29-I35 HydrophobicContact CD2-CD1 4.18Å; F29-I35 HydrophobicContact CE1-CD1 3.6Å; F29-I35 HydrophobicContact CE2-CD1 4.23Å; F29-I35 HydrophobicContact CG-CD1 3.83Å; F29-I35 HydrophobicContact CZ-CD1 3.95Å; I35-V37 PolarHBondContact O-N 2.93Å; I35-I50 HydrophobicContact CB-CG1 4.37Å; I35-I50 HydrophobicContact CD1-CD1 4.16Å; I35-I50 HydrophobicContact CG1-CD1 3.9Å; I35-I50 HydrophobicContact CG1-CG1 3.97Å; I35-I50 HydrophobicContact CG2-CG1 4.28Å; I35-F57 HydrophobicContact CD1-CD2 4.49Å; I35-F57 HydrophobicContact CD1-CE2 4.49Å; I35-F57 HydrophobicContact CG2-CE1 3.94Å; I35-F57 HydrophobicContact CG2-CZ 4.1Å; I35-V62 HydrophobicContact CD1-CG1 3.93Å
36K94.6Very high95.2Very high77 Ų7760 Ų6034%0.33533%0.33SS..EExtended strand (participates in β ladder)trans-78.6114168.8-175.8-179.1176.1-177.90108.7I10 L38 G48 Q49I10-K36 HydrophobicContact CG2-CD 4.07Å; I10-K36 HydrophobicContact CG2-CG 3.62Å; K36-L38 HydrophobicContact CD-CD2 4.07Å; K36-L38 HydrophobicContact CG-CD2 4.11Å; K36-L38 PolarHBondContact O-N 2.73Å; K36-G48 CarbonylContact O-C 3.57Å; K36-G48 WeakPolarHBondContact O-CA 3.08Å; K36-Q49 HydrophobicContact CB-CB 4.32Å; K36-Q49 PolarHBondContact N-O 2.81Å; K36-Q49 PolarHBondContact O-N 3.34Å
37V93.9Very high95.1Very high6 Ų660.2 Ų60.24%0.03633%0.328CS..EExtended strand (participates in β ladder)trans-81.5119.2179.5-172.60000109.2I5 V11 A13 I35 A40 W46 F57 L64I5-V37 HydrophobicContact CD1-CG1 4.3Å; V11-V37 WeakPolarHBondContact O-CB 3.5Å; V11-V37 WeakPolarHBondContact O-CG2 3.28Å; V11-V37 PolarHBondContact O-N 2.96Å; A13-V37 HydrophobicContact CB-CG2 3.81Å; I35-V37 PolarHBondContact O-N 2.93Å; V37-A40 HydrophobicContact CG1-CB 4.06Å; V37-W46 HydrophobicContact CG1-CB 4.5Å; V37-W46 HydrophobicContact CG1-CD2 4.47Å; V37-W46 HydrophobicContact CG1-CE3 4.16Å; V37-W46 HydrophobicContact CG2-CE3 4.36Å; V37-F57 HydrophobicContact CG2-CZ 4.32Å; V37-L64 HydrophobicContact CG2-CD2 4.33Å
38L92.6Very high95Very high70 Ų7060 Ų6037%0.36633%0.327SS..EExtended strand (participates in β ladder)trans-100.1-36.5-177.2-61.3179.7000112.2K36 W47 Q49 E54K36-L38 HydrophobicContact CD-CD2 4.07Å; K36-L38 HydrophobicContact CG-CD2 4.11Å; K36-L38 PolarHBondContact O-N 2.73Å; L38-W47 PolarHBondContact N-O 3.47Å; L38-Q49 HydrophobicContact CD1-CB 4.03Å; L38-Q49 HydrophobicContact CG-CB 4.43Å; L38-E54 HydrophobicContact CD1-CG 4.16Å
39D91.8Very high94.9Very high64 Ų6459.8 Ų59.834%0.34232%0.318SS..EExtended strand (participates in β ladder)trans-143.2121.2174.9-174.1-2.2000111S41 W46 W47D39-S41 WeakPolarHBondContact OD1-CB 3.48Å; D39-S41 PolarHBondContact OD1-N 3.17Å; D39-S41 PolarHBondContact OD1-OG 3Å; D39-S41 PolarHBondContact OD2-OG 3.07Å; D39-W46 CarbonylContact O-C 3.57Å; D39-W46 VanDerWaalsContact O-CA 3.28Å; D39-W46 WeakPolarHBondContact O-CA 3.36Å; D39-W46 WeakPolarHBondContact O-CB 3.41Å; D39-W47 HydrophobicContact CB-CB 3.88Å; D39-W47 PolarHBondContact N-O 3.47Å; D39-W47 PolarHBondContact O-N 2.93Å
40A91.9Very high94.8Very high28 Ų2860.9 Ų60.923%0.23132%0.324CS..  trans-120.123.8175.600000112.8I5 V37 N42 W46I5-A40 HydrophobicContact CD1-CB 3.62Å; I5-A40 HydrophobicContact CG1-CB 4.34Å; V37-A40 HydrophobicContact CG1-CB 4.06Å; A40-N42 VanDerWaalsContact C-N 3.29Å; A40-N42 PolarHBondContact O-N 2.91Å; A40-W46 HydrophobicContact CB-CD2 3.97Å; A40-W46 HydrophobicContact CB-CG 4.05Å; A40-W46 HydrophobicContact CB-CZ2 4.29Å
41S89.3Confident94.5Very high102 Ų10262.6 Ų62.671%0.71334%0.338SS*.  trans-66.4-30.4-179.761.40000113D39D39-S41 WeakPolarHBondContact OD1-CB 3.48Å; D39-S41 PolarHBondContact OD1-N 3.17Å; D39-S41 PolarHBondContact OD1-OG 3Å; D39-S41 PolarHBondContact OD2-OG 3.07Å
42N92Very high94.3Very high74 Ų7467.8 Ų67.840%0.39636%0.358SS..SBendtrans-88.3141.9171.5-178-43.9000110.3A40 D44 W45 W46A40-N42 VanDerWaalsContact C-N 3.29Å; A40-N42 PolarHBondContact O-N 2.91Å; N42-D44 PolarHBondContact OD1-N 2.94Å; N42-W45 WeakPolarHBondContact CB-O 3.33Å; N42-W45 PolarHBondContact OD1-N 2.9Å; N42-W46 PolarHBondContact O-NE1 3.42Å
43K90.5Very high94.3Very high167 Ų16772.4 Ų72.473%0.72637%0.369SS*.SBendtrans-74.2-28.8-175.473.6-177.1-172.2-174.20114.2
44D95.6Very high94.2Very high87 Ų8774.1 Ų74.147%0.46538%0.375SS..SBendtrans-108.2-30.2-170-61.8-46.4000111.7N42 P58 A59N42-D44 PolarHBondContact OD1-N 2.94Å; D44-P58 CarbonylContact O-C 3.59Å; D44-P58 WeakPolarHBondContact O-CA 3.42Å; D44-A59 PolarHBondContact O-N 2.93Å
45W96.4Very high94.3Very high97 Ų9771 Ų7137%0.36736%0.356SS..EExtended strand (participates in β ladder)trans-130.5122.9-173.5-74.286.4000111.1E26 N42 W56 F57E26-W45 HydrophobicContact CG-CH2 4.49Å; E26-W45 HydrophobicContact CG-CZ3 4.08Å; N42-W45 WeakPolarHBondContact CB-O 3.33Å; N42-W45 PolarHBondContact OD1-N 2.9Å; W45-W56 HydrophobicContact CB-CE3 4.2Å; W45-W56 HydrophobicContact CE3-CB 3.91Å; W45-W56 HydrophobicContact CZ3-CB 4.23Å; W45-F57 CarbonylContact C-O 3.5Å; W45-F57 WeakPolarHBondContact CA-O 3.39Å
46W96.5Very high94.4Very high36 Ų3675.2 Ų75.214%0.13637%0.372CS..EExtended strand (participates in β ladder)trans-111.7151.2179.9-65.5-11000110.8V37 D39 A40 N42 W56 F57 A59 V62 L64V37-W46 HydrophobicContact CG1-CB 4.5Å; V37-W46 HydrophobicContact CG1-CD2 4.47Å; V37-W46 HydrophobicContact CG1-CE3 4.16Å; V37-W46 HydrophobicContact CG2-CE3 4.36Å; D39-W46 CarbonylContact O-C 3.57Å; D39-W46 VanDerWaalsContact O-CA 3.28Å; D39-W46 WeakPolarHBondContact O-CA 3.36Å; D39-W46 WeakPolarHBondContact O-CB 3.41Å; A40-W46 HydrophobicContact CB-CD2 3.97Å; A40-W46 HydrophobicContact CB-CG 4.05Å; A40-W46 HydrophobicContact CB-CZ2 4.29Å; N42-W46 PolarHBondContact O-NE1 3.42Å; W46-W56 VanDerWaalsContact C-CE3 3.42Å; W46-W56 CarbonylContact O-C 3.6Å; W46-W56 WeakPolarHBondContact O-CA 3.3Å; W46-F57 HydrophobicContact CB-CD1 4.44Å; W46-F57 HydrophobicContact CB-CE1 3.82Å; W46-F57 HydrophobicContact CB-CE2 4.09Å; W46-F57 HydrophobicContact CB-CZ 3.63Å; W46-F57 AromaticContact CE3-CE2 4Å; W46-F57 HydrophobicContact CE3-CE2 4Å; W46-F57 AromaticContact CE3-CZ 3.99Å; W46-F57 HydrophobicContact CE3-CZ 3.99Å; W46-F57 PolarHBondContact N-O 3.39Å; W46-F57 VanDerWaalsContact O-CD1 3.3Å; W46-F57 WeakPolarHBondContact O-CD1 3.21Å; W46-F57 PolarHBondContact O-N 3.39Å; W46-A59 HydrophobicContact CD2-CB 3.56Å; W46-A59 HydrophobicContact CE3-CB 4.06Å; W46-A59 HydrophobicContact CG-CB 3.96Å; W46-A59 HydrophobicContact CH2-CB 4.17Å; W46-A59 HydrophobicContact CZ2-CB 3.69Å; W46-A59 HydrophobicContact CZ3-CB 4.34Å; W46-V62 HydrophobicContact CE3-CG2 4.03Å; W46-V62 HydrophobicContact CZ3-CG2 3.69Å; W46-L64 HydrophobicContact CH2-CD1 4.1Å; W46-L64 HydrophobicContact CH2-CD2 3.94Å; W46-L64 HydrophobicContact CH2-CG 4.07Å; W46-L64 HydrophobicContact CZ3-CD2 3.61Å; W46-L64 HydrophobicContact CZ3-CG 4.18Å
47W96.2Very high94.6Very high64 Ų6471.6 Ų71.624%0.24236%0.356CS..EExtended strand (participates in β ladder)trans-94.3131.7168.8-167.3-106.1000108.4L38 D39 E54 G55 W56L38-W47 PolarHBondContact N-O 3.47Å; D39-W47 HydrophobicContact CB-CB 3.88Å; D39-W47 PolarHBondContact N-O 3.47Å; D39-W47 PolarHBondContact O-N 2.93Å; W47-E54 HydrophobicContact CZ2-CB 3.72Å; W47-E54 PolarHBondContact NE1-OE2 2.77Å; W47-G55 VanDerWaalsContact CZ3-CA 3.41Å; W47-W56 HydrophobicContact CB-CE3 4.24Å; W47-W56 HydrophobicContact CB-CH2 4.07Å; W47-W56 HydrophobicContact CB-CZ3 3.92Å; W47-W56 HydrophobicContact CE3-CB 4.3Å; W47-W56 AromaticContact CE3-CD1 3.56Å; W47-W56 AromaticContact CE3-CD2 3.5Å; W47-W56 HydrophobicContact CE3-CD2 3.5Å; W47-W56 AromaticContact CE3-CE2 3.39Å; W47-W56 HydrophobicContact CE3-CE3 4.16Å; W47-W56 AromaticContact CE3-CG 3.57Å; W47-W56 HydrophobicContact CE3-CG 3.57Å; W47-W56 AromaticContact CE3-CZ2 3.94Å; W47-W56 HydrophobicContact CE3-CZ2 3.94Å; W47-W56 AromaticContact CE3-NE1 3.42Å; W47-W56 HydrophobicContact CZ3-CB 4.41Å; W47-W56 AromaticContact CZ3-CD1 3.28Å; W47-W56 HydrophobicContact CZ3-CD2 4.08Å; W47-W56 AromaticContact CZ3-CE2 3.83Å; W47-W56 AromaticContact CZ3-CG 3.72Å; W47-W56 HydrophobicContact CZ3-CG 3.72Å; W47-W56 VanDerWaalsContact CZ3-N 3.32Å; W47-W56 AromaticContact CZ3-NE1 3.32Å; W47-W56 VanDerWaalsContact CZ3-NE1 3.32Å
48G95.8Very high94.7Very high0 Ų071.9 Ų71.90%036%0.358CS..EExtended strand (participates in β ladder)trans-153.2178.7178.800000113.1K36 E54 G55K36-G48 CarbonylContact O-C 3.57Å; K36-G48 WeakPolarHBondContact O-CA 3.08Å; G48-E54 VanDerWaalsContact O-CA 3.31Å; G48-E54 WeakPolarHBondContact O-CA 3.46Å; G48-G55 PolarHBondContact N-O 3.22Å; G48-G55 VanDerWaalsContact N-O 3.11Å; G48-G55 PolarHBondContact O-N 2.81Å
49Q96.4Very high94.9Very high44 Ų4469.1 Ų69.121%0.20635%0.345CS..EExtended strand (participates in β ladder)trans-135.6137.3-172.4-174.4177.72900111.1K36 L38 D51 E53 E54K36-Q49 HydrophobicContact CB-CB 4.32Å; K36-Q49 PolarHBondContact N-O 2.81Å; K36-Q49 PolarHBondContact O-N 3.34Å; L38-Q49 HydrophobicContact CD1-CB 4.03Å; L38-Q49 HydrophobicContact CG-CB 4.43Å; Q49-D51 WeakPolarHBondContact CG-O 3.47Å; Q49-D51 PolarHBondContact NE2-O 2.89Å; Q49-D51 VanDerWaalsContact NE2-O 3.08Å; Q49-E53 VanDerWaalsContact CA-O 3.29Å; Q49-E53 WeakPolarHBondContact CA-O 3.45Å; Q49-E54 HydrophobicContact CB-CG 3.98Å; Q49-E54 HydrophobicContact CG-CG 3.9Å
50I96Very high95.1Very high33 Ų3370 Ų7017%0.16936%0.357CS..EExtended strand (participates in β ladder)trans-126.1124.2164.4-63.6165.9000106.3L27 F29 D33 I35 D52 E53L27-I50 HydrophobicContact CD2-CD1 4.05Å; L27-I50 HydrophobicContact CD2-CG1 4.06Å; L27-I50 HydrophobicContact CG-CD1 4.23Å; F29-I50 HydrophobicContact CB-CD1 3.57Å; F29-I50 HydrophobicContact CD1-CD1 4.37Å; F29-I50 HydrophobicContact CG-CD1 4.33Å; D33-I50 HydrophobicContact CB-CD1 4.4Å; I35-I50 HydrophobicContact CB-CG1 4.37Å; I35-I50 HydrophobicContact CD1-CD1 4.16Å; I35-I50 HydrophobicContact CG1-CD1 3.9Å; I35-I50 HydrophobicContact CG1-CG1 3.97Å; I35-I50 HydrophobicContact CG2-CG1 4.28Å; I50-D52 PolarHBondContact O-N 2.93Å; I50-D52 VanDerWaalsContact O-N 3.11Å; I50-E53 PolarHBondContact N-O 3.28Å; I50-E53 PolarHBondContact O-N 3.28Å
51D91.9Very high95.4Very high145 Ų14571.6 Ų71.678%0.77536%0.359SS*.THydrogen-bonded Turntrans49-115.9-171.8-59.3-41.3000111.6Q49Q49-D51 WeakPolarHBondContact CG-O 3.47Å; Q49-D51 PolarHBondContact NE2-O 2.89Å; Q49-D51 VanDerWaalsContact NE2-O 3.08Å
52D92.9Very high95.8Very high162 Ų16267.6 Ų67.687%0.86633%0.33SS*.THydrogen-bonded Turntrans-100.30179.5-64.7-45.3000113.3I50I50-D52 PolarHBondContact O-N 2.93Å; I50-D52 VanDerWaalsContact O-N 3.11Å
53E95.8Very high95.8Very high138 Ų13870.8 Ų70.865%0.64534%0.336SS*.EExtended strand (participates in β ladder)trans-97.4129.1-179.3-64.8-166.8174.700111.5L27 Q49 I50L27-E53 HydrophobicContact CD1-CB 4.07Å; L27-E53 WeakPolarHBondContact CD1-O 3.21Å; Q49-E53 VanDerWaalsContact CA-O 3.29Å; Q49-E53 WeakPolarHBondContact CA-O 3.45Å; I50-E53 PolarHBondContact N-O 3.28Å; I50-E53 PolarHBondContact O-N 3.28Å
54E96.8Very high95.8Very high97 Ų9764.9 Ų64.945%0.45331%0.312SS..EExtended strand (participates in β ladder)trans-117.2144.5175.2-66.2-171.7-17200111.3L38 W47 G48 Q49L38-E54 HydrophobicContact CD1-CG 4.16Å; W47-E54 HydrophobicContact CZ2-CB 3.72Å; W47-E54 PolarHBondContact NE1-OE2 2.77Å; G48-E54 VanDerWaalsContact O-CA 3.31Å; G48-E54 WeakPolarHBondContact O-CA 3.46Å; Q49-E54 HydrophobicContact CB-CG 3.98Å; Q49-E54 HydrophobicContact CG-CG 3.9Å
55G97.6Very high95.3Very high0 Ų066.1 Ų66.10%031%0.311CS..EExtended strand (participates in β ladder)trans-173.6170.9178.700000114.3W47 G48W47-G55 VanDerWaalsContact CZ3-CA 3.41Å; G48-G55 PolarHBondContact N-O 3.22Å; G48-G55 VanDerWaalsContact N-O 3.11Å; G48-G55 PolarHBondContact O-N 2.81Å
56W98Very high93.8Very high89 Ų8966 Ų6634%0.33732%0.321SS..EExtended strand (participates in β ladder)trans-77138.7172-71.8107.9000110.8R25 E26 L27 W45 W46 W47R25-W56 PolarHBondContact O-N 2.79Å; E26-W56 CarbonylContact C-O 3.56Å; E26-W56 WeakPolarHBondContact CA-O 3.41Å; E26-W56 WeakPolarHBondContact CB-O 3.25Å; L27-W56 PolarHBondContact N-O 3.21Å; W45-W56 HydrophobicContact CB-CE3 4.2Å; W45-W56 HydrophobicContact CE3-CB 3.91Å; W45-W56 HydrophobicContact CZ3-CB 4.23Å; W46-W56 VanDerWaalsContact C-CE3 3.42Å; W46-W56 CarbonylContact O-C 3.6Å; W46-W56 WeakPolarHBondContact O-CA 3.3Å; W47-W56 HydrophobicContact CB-CE3 4.24Å; W47-W56 HydrophobicContact CB-CH2 4.07Å; W47-W56 HydrophobicContact CB-CZ3 3.92Å; W47-W56 HydrophobicContact CE3-CB 4.3Å; W47-W56 AromaticContact CE3-CD1 3.56Å; W47-W56 AromaticContact CE3-CD2 3.5Å; W47-W56 HydrophobicContact CE3-CD2 3.5Å; W47-W56 AromaticContact CE3-CE2 3.39Å; W47-W56 HydrophobicContact CE3-CE3 4.16Å; W47-W56 AromaticContact CE3-CG 3.57Å; W47-W56 HydrophobicContact CE3-CG 3.57Å; W47-W56 AromaticContact CE3-CZ2 3.94Å; W47-W56 HydrophobicContact CE3-CZ2 3.94Å; W47-W56 AromaticContact CE3-NE1 3.42Å; W47-W56 HydrophobicContact CZ3-CB 4.41Å; W47-W56 AromaticContact CZ3-CD1 3.28Å; W47-W56 HydrophobicContact CZ3-CD2 4.08Å; W47-W56 AromaticContact CZ3-CE2 3.83Å; W47-W56 AromaticContact CZ3-CG 3.72Å; W47-W56 HydrophobicContact CZ3-CG 3.72Å; W47-W56 VanDerWaalsContact CZ3-N 3.32Å; W47-W56 AromaticContact CZ3-NE1 3.32Å; W47-W56 VanDerWaalsContact CZ3-NE1 3.32Å
57F98.2Very high91.8Very high0 Ų069.7 Ų69.70%034%0.343CS..EExtended strand (participates in β ladder)trans-144.1155.5172.667.5-83.7000112.5L27 F29 I35 V37 W45 W46 A59 V62L27-F57 HydrophobicContact CB-CB 4.5Å; L27-F57 HydrophobicContact CD2-CD1 4.31Å; F29-F57 HydrophobicContact CE1-CB 3.56Å; F29-F57 HydrophobicContact CE1-CD2 4.17Å; F29-F57 HydrophobicContact CE1-CG 4.01Å; F29-F57 HydrophobicContact CZ-CB 4.19Å; F29-F57 HydrophobicContact CZ-CD2 4.25Å; I35-F57 HydrophobicContact CD1-CD2 4.49Å; I35-F57 HydrophobicContact CD1-CE2 4.49Å; I35-F57 HydrophobicContact CG2-CE1 3.94Å; I35-F57 HydrophobicContact CG2-CZ 4.1Å; V37-F57 HydrophobicContact CG2-CZ 4.32Å; W45-F57 CarbonylContact C-O 3.5Å; W45-F57 WeakPolarHBondContact CA-O 3.39Å; W46-F57 HydrophobicContact CB-CD1 4.44Å; W46-F57 HydrophobicContact CB-CE1 3.82Å; W46-F57 HydrophobicContact CB-CE2 4.09Å; W46-F57 HydrophobicContact CB-CZ 3.63Å; W46-F57 AromaticContact CE3-CE2 4Å; W46-F57 HydrophobicContact CE3-CE2 4Å; W46-F57 AromaticContact CE3-CZ 3.99Å; W46-F57 HydrophobicContact CE3-CZ 3.99Å; W46-F57 PolarHBondContact N-O 3.39Å; W46-F57 VanDerWaalsContact O-CD1 3.3Å; W46-F57 WeakPolarHBondContact O-CD1 3.21Å; W46-F57 PolarHBondContact O-N 3.39Å; F57-A59 PolarHBondContact O-N 3.44Å; F57-V62 HydrophobicContact CD2-CG1 3.96Å; F57-V62 HydrophobicContact CE2-CB 4.39Å; F57-V62 HydrophobicContact CE2-CG1 3.66Å; F57-V62 HydrophobicContact CE2-CG2 3.77Å
58P97.6Very high89.9Confident12 Ų1271.6 Ų71.68%0.07835%0.354CS..EExtended strand (participates in β ladder)trans-70.6124178.326.6-34000111.6D44 S60 F61D44-P58 CarbonylContact O-C 3.59Å; D44-P58 WeakPolarHBondContact O-CA 3.42Å; P58-S60 PolarHBondContact O-N 3Å; P58-S60 VanDerWaalsContact O-N 3.14Å; P58-F61 HydrophobicContact CB-CD1 3.66Å; P58-F61 HydrophobicContact CB-CE1 4.03Å; P58-F61 HydrophobicContact CB-CG 4.3Å; P58-F61 HydrophobicContact CG-CB 4.03Å; P58-F61 HydrophobicContact CG-CD1 3.34Å; P58-F61 HydrophobicContact CG-CD2 4.1Å; P58-F61 HydrophobicContact CG-CE1 3.73Å; P58-F61 HydrophobicContact CG-CE2 4.41Å; P58-F61 HydrophobicContact CG-CG 3.56Å; P58-F61 HydrophobicContact CG-CZ 4.25Å; P58-F61 PolarHBondContact O-N 3.47Å
59A96.3Very high87.7Confident12 Ų1278.8 Ų78.810%0.09939%0.388CS..G310 helixtrans-57.4-30.5178.800000112.9D44 W46 F57 F61 V62D44-A59 PolarHBondContact O-N 2.93Å; W46-A59 HydrophobicContact CD2-CB 3.56Å; W46-A59 HydrophobicContact CE3-CB 4.06Å; W46-A59 HydrophobicContact CG-CB 3.96Å; W46-A59 HydrophobicContact CH2-CB 4.17Å; W46-A59 HydrophobicContact CZ2-CB 3.69Å; W46-A59 HydrophobicContact CZ3-CB 4.34Å; F57-A59 PolarHBondContact O-N 3.44Å; A59-F61 PolarHBondContact O-N 3.18Å; A59-V62 WeakPolarHBondContact O-CG2 3.39Å
60S96.6Very high85.4Confident84 Ų8483.8 Ų83.859%0.58742%0.416SS*.G310 helixtrans-69.4-14.7-179.853.80000113.9W17 P58 V62W17-S60 WeakPolarHBondContact CZ3-O 3.14Å; P58-S60 PolarHBondContact O-N 3Å; P58-S60 VanDerWaalsContact O-N 3.14Å; S60-V62 VanDerWaalsContact C-N 3.35Å
61F97.8Very high82.8Confident61 Ų6191.1 Ų91.127%0.26845%0.45SS..G310 helixtrans-88.6-5.6-175.9-78.550.3000113.2V16 W17 D18 H19 F29 P58 A59V16-F61 PolarHBondContact N-O 2.78Å; W17-F61 HydrophobicContact CB-CD2 4.12Å; W17-F61 HydrophobicContact CE3-CD1 4.49Å; W17-F61 HydrophobicContact CE3-CG 4.34Å; W17-F61 PolarHBondContact N-O 3.08Å; D18-F61 WeakPolarHBondContact O-CE2 3.46Å; H19-F61 HydrophobicContact CB-CD2 4.16Å; F29-F61 HydrophobicContact CE2-CB 4.25Å; F29-F61 HydrophobicContact CZ-CB 4.14Å; P58-F61 HydrophobicContact CB-CD1 3.66Å; P58-F61 HydrophobicContact CB-CE1 4.03Å; P58-F61 HydrophobicContact CB-CG 4.3Å; P58-F61 HydrophobicContact CG-CB 4.03Å; P58-F61 HydrophobicContact CG-CD1 3.34Å; P58-F61 HydrophobicContact CG-CD2 4.1Å; P58-F61 HydrophobicContact CG-CE1 3.73Å; P58-F61 HydrophobicContact CG-CE2 4.41Å; P58-F61 HydrophobicContact CG-CG 3.56Å; P58-F61 HydrophobicContact CG-CZ 4.25Å; P58-F61 PolarHBondContact O-N 3.47Å; A59-F61 PolarHBondContact O-N 3.18Å
62V96.2Very high80.6Confident17 Ų1790.1 Ų90.110%0.10345%0.448CS..EExtended strand (participates in β ladder)trans-125.7159.1-173.9-53.90000111.5A13 E14 F29 I35 W46 F57 A59 S60A13-V62 HydrophobicContact CB-CB 3.9Å; A13-V62 HydrophobicContact CB-CG2 3.83Å; E14-V62 CarbonylContact O-C 3.57Å; E14-V62 VanDerWaalsContact O-CA 3.28Å; E14-V62 WeakPolarHBondContact O-CA 3.24Å; F29-V62 HydrophobicContact CE2-CG1 4.46Å; F29-V62 HydrophobicContact CZ-CG1 4.24Å; I35-V62 HydrophobicContact CD1-CG1 3.93Å; W46-V62 HydrophobicContact CE3-CG2 4.03Å; W46-V62 HydrophobicContact CZ3-CG2 3.69Å; F57-V62 HydrophobicContact CD2-CG1 3.96Å; F57-V62 HydrophobicContact CE2-CB 4.39Å; F57-V62 HydrophobicContact CE2-CG1 3.66Å; F57-V62 HydrophobicContact CE2-CG2 3.77Å; A59-V62 WeakPolarHBondContact O-CG2 3.39Å; S60-V62 VanDerWaalsContact C-N 3.35Å
63R93.2Very high78.3Confident141 Ų14191.4 Ų91.453%0.53245%0.449SS..EExtended strand (participates in β ladder)trans-119.3123.2172.3-179.7176.861.8-153.4-4.5109.2A13 E14 V16A13-R63 CarbonylContact C-O 3.51Å; A13-R63 WeakPolarHBondContact CA-O 3.36Å; E14-R63 PolarHBondContact N-O 2.98Å; E14-R63 PolarHBondContact O-N 2.89Å; E14-R63 IonicContact OE1-NH2 2.73Å; E14-R63 IonicContact OE2-CZ 3.6Å; E14-R63 IonicContact OE2-NE 2.98Å; E14-R63 IonicContact OE2-NH2 3.8Å; E14-R63 PolarHBondContact OE2-NH2 3.42Å; V16-R63 HydrophobicContact CG2-CB 3.74Å
64L90.4Very high75.8Confident44 Ų4494 Ų9423%0.2346%0.461CS..EExtended strand (participates in β ladder)trans-65.9139.6177.1-64.6179.5000111.4L3 V11 A13 V37 W46 V66L3-L64 HydrophobicContact CD1-CD1 3.77Å; V11-L64 HydrophobicContact CG1-CD2 3.79Å; A13-L64 HydrophobicContact CB-CD2 3.99Å; V37-L64 HydrophobicContact CG2-CD2 4.33Å; W46-L64 HydrophobicContact CH2-CD1 4.1Å; W46-L64 HydrophobicContact CH2-CD2 3.94Å; W46-L64 HydrophobicContact CH2-CG 4.07Å; W46-L64 HydrophobicContact CZ3-CD2 3.61Å; W46-L64 HydrophobicContact CZ3-CG 4.18Å; L64-V66 PolarHBondContact O-N 2.89Å
65W85.1Confident72.9Confident113 Ų11392 Ų9243%0.42847%0.467SS..  trans-86.2100.2169.8-70.22.4000109.9S12 E14 V34S12-W65 PolarHBondContact O-N 3.47Å; E14-W65 HydrophobicContact CB-CZ2 4.15Å; E14-W65 VanDerWaalsContact CB-NE1 3.28Å; E14-W65 PolarHBondContact OE2-NE1 2.93Å; V34-W65 HydrophobicContact CG1-CH2 4.17Å; V34-W65 HydrophobicContact CG1-CZ3 4.31Å; V34-W65 HydrophobicContact CG2-CH2 3.56Å; V34-W65 HydrophobicContact CG2-CZ2 3.73Å; V34-W65 HydrophobicContact CG2-CZ3 4.46Å
66V63.7Low70.5Confident95 Ų9598.6 Ų98.658%0.57651%0.51SS*.  trans-86.7106.3169-93.80000107.8L64L64-V66 PolarHBondContact O-N 2.89Å
67N56.2Low67.7Low113 Ų11399.9 Ų99.960%0.60453%0.533SS*.  trans130.559.3172.7-67.86.6000111.2E69N67-E69 VanDerWaalsContact C-N 3.26Å; N67-E69 PolarHBondContact O-N 3.24Å; N67-E69 VanDerWaalsContact O-N 3.14Å
68Q55.8Low65Low104 Ų104107.2 Ų107.249%0.48657%0.572SS.*  trans-78.989.9157.8-74.2176.87200106.1I10 D70I10-Q68 PolarHBondContact O-NE2 2.85Å; I10-Q68 PolarHBondContact O-OE1 3.3Å; Q68-D70 PolarHBondContact O-N 3.43Å
69E49.7Very low62.7Low150 Ų150113.2 Ų113.270%0.70161%0.608SS**  trans-65.2117164.9-59.3179.6-158.800105.7N67 E71N67-E69 VanDerWaalsContact C-N 3.26Å; N67-E69 PolarHBondContact O-N 3.24Å; N67-E69 VanDerWaalsContact O-N 3.14Å; E69-E71 VanDerWaalsContact C-N 3.26Å; E69-E71 PolarHBondContact O-N 3.49Å
70D46.9Very low60.3Low150 Ų150121.7 Ų121.780%0.80265%0.645SS**  trans-59.196.3164.9-70.3-52.8000106.7Q68 V72Q68-D70 PolarHBondContact O-N 3.43Å; D70-V72 HydrophobicContact CB-CG2 4.45Å; D70-V72 PolarHBondContact O-N 2.67Å
71E42.7Very low57.5Low187 Ų187125.6 Ų125.687%0.87466%0.66SS**  trans-65.783.4167.9-72.6-170.1171.500107.9E69 E73E69-E71 VanDerWaalsContact C-N 3.26Å; E69-E71 PolarHBondContact O-N 3.49Å; E71-E73 PolarHBondContact O-N 3.2Å
72V45.3Very low54.8Low123 Ų123126.5 Ų126.575%0.74569%0.686SS**  trans-75.6105.9161.4-176.70000105.9D70 E74D70-V72 HydrophobicContact CB-CG2 4.45Å; D70-V72 PolarHBondContact O-N 2.67Å; V72-E74 PolarHBondContact O-N 3.19Å
73E45.4Very low52Low190 Ų190133.8 Ų133.889%0.88872%0.719SS**  trans-48.9110.9169.8-79.2-163.2138.300110.4E71 G75E71-E73 PolarHBondContact O-N 3.2Å; E73-G75 PolarHBondContact O-N 2.96Å
74E42Very low49.7Very low192 Ų192135 Ų13590%0.89774%0.735SS**  trans-82.2107.7160.3-83-152.1154.600109.1V72V72-E74 PolarHBondContact O-N 3.19Å
75G36.3Very low47.6Very low56 Ų56138.9 Ų138.958%0.57776%0.756SS**  trans-65.5153.7169.200000112.3E73 S77E73-G75 PolarHBondContact O-N 2.96Å; G75-S77 PolarHBondContact O-N 2.86Å
76P48Very low45.9Very low138 Ų138139.5 Ų139.590%0.89678%0.775SS**  trans-77120.6-175.232.1-31.1000109.5
77S38.1Very low45.2Very low116 Ų116142 Ų14281%0.81179%0.785SS**  trans-125.5145.8165.457.40000112.2G75G75-S77 PolarHBondContact O-N 2.86Å
78D41.9Very low44.9Very low153 Ų153141.6 Ų141.682%0.81879%0.79SS**  trans-72.8158.3-150-66.6-79.7000117.7
79V50Low44.2Very low138 Ų138143.7 Ų143.784%0.83681%0.805SS**  trans-53.6125.8173.1-154.60000112.7
80Q44.3Very low44Very low190 Ų190140.4 Ų140.489%0.88880%0.798SS**  trans-139.5142.2155.4-70.9-168.211.300113.6
81N38.7Very low44.2Very low167 Ų167141 Ų14189%0.89380%0.8SS**  trans-70.7139.2-167.5-79.6-64.1000115.8
82G41.2Very low44.3Very low80 Ų80137 Ų13783%0.82579%0.792SS**  trans41.3117.4135.700000122.7
83H37.6Very low44.4Very low169 Ų169138 Ų13878%0.78279%0.792SS**  -162.4123.9125.5-166.666.4000108.9
84L43.4Very low44.5Very low168 Ų168130.9 Ų130.988%0.8877%0.769SS**  trans-93.2112.9175.1-74.6166.8000108.8
85D47.1Very low45Very low124 Ų124131.1 Ų131.166%0.66376%0.762SS**  trans-89.8124.9168.9-133.1-44.7000109N87D85-N87 VanDerWaalsContact C-N 3.29Å; D85-N87 PolarHBondContact O-N 2.87Å
86P50.6Low45.7Very low127 Ų127132.8 Ų132.883%0.82576%0.763SS**THydrogen-bonded Turntrans-83.29.6-170.8-2.119.4000115.1
87N48.5Very low45.8Very low148 Ų148131.8 Ų131.879%0.79175%0.749SS**THydrogen-bonded Turntrans-141.233.4-169.5-152.733000115.4D85D85-N87 VanDerWaalsContact C-N 3.29Å; D85-N87 PolarHBondContact O-N 2.87Å
88S49Very low46.7Very low103 Ų103132.7 Ų132.772%0.7274%0.741SS**SBendtrans-111.4107163.2-160.10000107.8C90S88-C90 PolarHBondContact O-N 2.9Å
89D42.1Very low48Very low148 Ų148130.2 Ų130.279%0.79173%0.728SS**  trans-48.2108.7175-73.4-48.7000109.5L91D89-L91 PolarHBondContact O-N 3.28Å
90C44.1Very low49.6Very low82 Ų82131.2 Ų131.255%0.55472%0.716SS**  trans-68.396.9-171.5-1770000110.1S88 C92S88-C90 PolarHBondContact O-N 2.9Å; C90-C92 VanDerWaalsContact C-N 3.29Å; C90-C92 PolarHBondContact O-N 2.98Å; C90-C92 VanDerWaalsContact SG-SG 3.67Å
91L51.8Low51.7Low162 Ų162126.2 Ų126.285%0.84870%0.696SS**  trans-88.620.5174.3-70.8179.6000114D89D89-L91 PolarHBondContact O-N 3.28Å
92C45.1Very low53.9Low104 Ų104123.4 Ų123.470%0.70368%0.677SS**SBendtrans-115.21.4-170.9210000116.1C90C90-C92 VanDerWaalsContact C-N 3.29Å; C90-C92 PolarHBondContact O-N 2.98Å; C90-C92 VanDerWaalsContact SG-SG 3.67Å
93L46.9Very low55.9Low144 Ų144123.9 Ų123.975%0.75466%0.659SS**SBendtrans-97.8-1.1178.8-94.7143.1000115.5
94G48.8Very low58.4Low39 Ų39123 Ų12340%0.40265%0.649SS.*SBendtrans-99.9-16.7-173.900000116.9
95R50.6Low60.6Low197 Ų197116.6 Ų116.674%0.74362%0.62SS**Hα-helixtrans-80.5-36.1-163.9-95.5179167.4-171.4-4.2116.8L97R95-L97 PolarHBondContact O-N 2.87Å
96P51.7Low62.4Low91 Ų91114.8 Ų114.859%0.59161%0.611SS**Hα-helixtrans-70.6-32.9-179.2-17.930.5000113
97L50.4Low64.2Low117 Ų117112.5 Ų112.561%0.61359%0.594SS**Hα-helixtrans-76.3-41.5-176.1-75.4161.4000112.4R95 N99 R100 D101R95-L97 PolarHBondContact O-N 2.87Å; L97-N99 VanDerWaalsContact C-N 3.27Å; L97-N99 PolarHBondContact O-N 2.89Å; L97-R100 PolarHBondContact O-N 3.06Å; L97-R100 VanDerWaalsContact O-N 3.11Å; L97-D101 PolarHBondContact O-N 3.27Å
98Q57.7Low66.4Low135 Ų135110.2 Ų110.263%0.63158%0.581SS**Hα-helixtrans-60.2-36.5176.5-86.8174.4-17.800112.5R100 D101 Q102Q98-R100 VanDerWaalsContact C-N 3.35Å; Q98-R100 PolarHBondContact O-N 2.9Å; Q98-D101 PolarHBondContact O-N 2.8Å; Q98-Q102 VanDerWaalsContact O-CB 3.3Å; Q98-Q102 WeakPolarHBondContact O-CB 3.3Å; Q98-Q102 PolarHBondContact O-N 3.11Å
99N68.9Low68.3Low102 Ų102110.2 Ų110.255%0.54557%0.573SS.*Hα-helixtrans-63.7-40.2175.8-73.8-16.2000111.8L97 M103L97-N99 VanDerWaalsContact C-N 3.27Å; L97-N99 PolarHBondContact O-N 2.89Å; N99-M103 WeakPolarHBondContact O-CB 3.4Å; N99-M103 VanDerWaalsContact O-CG 3.25Å; N99-M103 WeakPolarHBondContact O-CG 3.12Å; N99-M103 PolarHBondContact O-N 3.14Å
100R82.9Confident70.8Confident159 Ų159108.9 Ų108.960%0.656%0.562SS**Hα-helixtrans-71.1-39.1178.8-63.9-174.375.6160.16.7112.5L97 Q98 Q102 M103 R104L97-R100 PolarHBondContact O-N 3.06Å; L97-R100 VanDerWaalsContact O-N 3.11Å; Q98-R100 VanDerWaalsContact C-N 3.35Å; Q98-R100 PolarHBondContact O-N 2.9Å; R100-Q102 VanDerWaalsContact C-N 3.35Å; R100-M103 PolarHBondContact O-N 3.06Å; R100-R104 WeakPolarHBondContact O-CB 3.48Å; R100-R104 VanDerWaalsContact O-CG 3.24Å; R100-R104 WeakPolarHBondContact O-CG 3.41Å; R100-R104 PolarHBondContact O-N 2.85Å
101D87.8Confident73.2Confident85 Ų85109.2 Ų109.246%0.45556%0.557SS.*Hα-helixtrans-70-35.3177.1-69.9-29.5000111.6L97 Q98 R104 A105L97-D101 PolarHBondContact O-N 3.27Å; Q98-D101 PolarHBondContact O-N 2.8Å; D101-R104 PolarHBondContact O-N 2.92Å; D101-R104 IonicContact OD1-NH1 2.79Å; D101-R104 PolarHBondContact OD1-NH1 3.25Å; D101-A105 WeakPolarHBondContact O-CB 3.44Å; D101-A105 PolarHBondContact O-N 3.28Å
102Q85.6Confident75.3Confident108 Ų108106.3 Ų106.351%0.50554%0.54SS..Hα-helixtrans-66.1-43.3171.7-172.159.961.900111.8Q98 R100 R104 A105 N106Q98-Q102 VanDerWaalsContact O-CB 3.3Å; Q98-Q102 WeakPolarHBondContact O-CB 3.3Å; Q98-Q102 PolarHBondContact O-N 3.11Å; R100-Q102 VanDerWaalsContact C-N 3.35Å; Q102-R104 PolarHBondContact O-N 2.93Å; Q102-A105 PolarHBondContact O-N 2.97Å; Q102-N106 PolarHBondContact NE2-OD1 2.93Å; Q102-N106 PolarHBondContact O-N 2.85Å; Q102-N106 PolarHBondContact O-OD1 2.88Å
103M83Confident77.6Confident90 Ų90103.2 Ų103.244%0.44352%0.52SS..Hα-helixtrans-59.7-45.6173.7-76166177.600111.4N99 R100 A105 N106 V107N99-M103 WeakPolarHBondContact O-CB 3.4Å; N99-M103 VanDerWaalsContact O-CG 3.25Å; N99-M103 WeakPolarHBondContact O-CG 3.12Å; N99-M103 PolarHBondContact O-N 3.14Å; R100-M103 PolarHBondContact O-N 3.06Å; M103-A105 VanDerWaalsContact C-N 3.32Å; M103-A105 PolarHBondContact O-N 3.37Å; M103-N106 WeakPolarHBondContact O-CB 3.33Å; M103-N106 PolarHBondContact O-N 3.22Å; M103-V107 WeakPolarHBondContact O-CG2 3.49Å; M103-V107 PolarHBondContact O-N 3.4Å
104R90.4Very high79.8Confident149 Ų14999.8 Ų99.856%0.56251%0.505SS*.Hα-helixtrans-57.6-46.2174.5-74.9166.9173.6175.5-5.6111.3R100 D101 Q102 N106 V107 I108R100-R104 WeakPolarHBondContact O-CB 3.48Å; R100-R104 VanDerWaalsContact O-CG 3.24Å; R100-R104 WeakPolarHBondContact O-CG 3.41Å; R100-R104 PolarHBondContact O-N 2.85Å; D101-R104 PolarHBondContact O-N 2.92Å; D101-R104 IonicContact OD1-NH1 2.79Å; D101-R104 PolarHBondContact OD1-NH1 3.25Å; Q102-R104 PolarHBondContact O-N 2.93Å; R104-N106 VanDerWaalsContact C-N 3.31Å; R104-N106 PolarHBondContact O-N 3.46Å; R104-V107 PolarHBondContact O-N 3.25Å; R104-I108 WeakPolarHBondContact O-CB 3.22Å; R104-I108 WeakPolarHBondContact O-CD1 3.36Å; R104-I108 WeakPolarHBondContact O-CG1 3.31Å; R104-I108 PolarHBondContact O-N 2.89Å
105A89.1Confident82.1Confident34 Ų34102.6 Ų102.628%0.28151%0.507SS..Hα-helixtrans-61.7-39.6177.700000112D101 Q102 M103 I108 N109D101-A105 WeakPolarHBondContact O-CB 3.44Å; D101-A105 PolarHBondContact O-N 3.28Å; Q102-A105 PolarHBondContact O-N 2.97Å; M103-A105 VanDerWaalsContact C-N 3.32Å; M103-A105 PolarHBondContact O-N 3.37Å; A105-I108 PolarHBondContact O-N 2.91Å; A105-N109 VanDerWaalsContact O-CB 3.31Å; A105-N109 WeakPolarHBondContact O-CB 3.35Å; A105-N109 PolarHBondContact O-N 3.04Å; A105-N109 PolarHBondContact O-ND2 2.94Å
106N85.6Confident84.3Confident87 Ų87100.1 Ų100.147%0.46550%0.498SS..Hα-helixtrans-62.9-49.1177.5-66.6-9.5000111.3Q102 M103 R104 I108 N109 E110Q102-N106 PolarHBondContact NE2-OD1 2.93Å; Q102-N106 PolarHBondContact O-N 2.85Å; Q102-N106 PolarHBondContact O-OD1 2.88Å; M103-N106 WeakPolarHBondContact O-CB 3.33Å; M103-N106 PolarHBondContact O-N 3.22Å; R104-N106 VanDerWaalsContact C-N 3.31Å; R104-N106 PolarHBondContact O-N 3.46Å; N106-I108 PolarHBondContact O-N 3.26Å; N106-N109 PolarHBondContact O-N 3.46Å; N106-E110 PolarHBondContact O-N 3.4Å
107V88.1Confident86.3Confident79 Ų79100.8 Ų100.848%0.47949%0.493SS..Hα-helixtrans-60.5-46.6177.7174.60000110.8M103 R104 N109 E110 I111M103-V107 WeakPolarHBondContact O-CG2 3.49Å; M103-V107 PolarHBondContact O-N 3.4Å; R104-V107 PolarHBondContact O-N 3.25Å; V107-N109 VanDerWaalsContact C-N 3.33Å; V107-N109 PolarHBondContact O-N 3.48Å; V107-E110 PolarHBondContact O-N 2.88Å; V107-I111 HydrophobicContact CG1-CD1 3.82Å; V107-I111 HydrophobicContact CG1-CG1 4.47Å; V107-I111 WeakPolarHBondContact O-CG1 3.28Å; V107-I111 PolarHBondContact O-N 2.8Å
108I93.9Very high88.3Confident100 Ų100101.6 Ų101.651%0.51349%0.489SS..Hα-helixtrans-59.3-45.5177.5-69.5165.1000110.8R104 A105 N106 E110 I111 M112R104-I108 WeakPolarHBondContact O-CB 3.22Å; R104-I108 WeakPolarHBondContact O-CD1 3.36Å; R104-I108 WeakPolarHBondContact O-CG1 3.31Å; R104-I108 PolarHBondContact O-N 2.89Å; A105-I108 PolarHBondContact O-N 2.91Å; N106-I108 PolarHBondContact O-N 3.26Å; I108-E110 VanDerWaalsContact C-N 3.32Å; I108-E110 PolarHBondContact O-N 2.86Å; I108-I111 PolarHBondContact O-N 2.89Å; I108-M112 HydrophobicContact CG2-CG 4.19Å; I108-M112 WeakPolarHBondContact O-CB 3.38Å; I108-M112 VanDerWaalsContact O-CG 3.22Å; I108-M112 WeakPolarHBondContact O-CG 3.11Å; I108-M112 PolarHBondContact O-N 2.8Å
109N90.8Very high90.2Very high102 Ų10299.3 Ų99.355%0.54548%0.48SS..Hα-helixtrans-63.8-39.7-179.9-78-35.3000112.1A105 N106 V107 S113A105-N109 VanDerWaalsContact O-CB 3.31Å; A105-N109 WeakPolarHBondContact O-CB 3.35Å; A105-N109 PolarHBondContact O-N 3.04Å; A105-N109 PolarHBondContact O-ND2 2.94Å; N106-N109 PolarHBondContact O-N 3.46Å; V107-N109 VanDerWaalsContact C-N 3.33Å; V107-N109 PolarHBondContact O-N 3.48Å; N109-S113 WeakPolarHBondContact O-CB 3.37Å; N109-S113 PolarHBondContact O-N 3.22Å
110E92.8Very high91.4Very high120 Ų120100.3 Ų100.356%0.56148%0.48SS*.Hα-helixtrans-62.4-49.9175.5-165.6-161.1141.500111.1N106 V107 I108 M112 S113 T114N106-E110 PolarHBondContact O-N 3.4Å; V107-E110 PolarHBondContact O-N 2.88Å; I108-E110 VanDerWaalsContact C-N 3.32Å; I108-E110 PolarHBondContact O-N 2.86Å; E110-M112 PolarHBondContact O-N 3.27Å; E110-S113 PolarHBondContact O-N 3.27Å; E110-T114 HydrophobicContact CG-CG2 4.5Å; E110-T114 WeakPolarHBondContact O-CB 3.37Å; E110-T114 WeakPolarHBondContact O-CG2 3.43Å; E110-T114 PolarHBondContact O-N 2.71Å; E110-T114 PolarHBondContact O-OG1 2.84Å
111I95.6Very high91.8Very high89 Ų8998.1 Ų98.146%0.45648%0.476SS..Hα-helixtrans-58.2-51.7177.6-67.2167.6000110.3V107 I108 S113 T114 E115V107-I111 HydrophobicContact CG1-CD1 3.82Å; V107-I111 HydrophobicContact CG1-CG1 4.47Å; V107-I111 WeakPolarHBondContact O-CG1 3.28Å; V107-I111 PolarHBondContact O-N 2.8Å; I108-I111 PolarHBondContact O-N 2.89Å; I111-S113 VanDerWaalsContact C-N 3.25Å; I111-S113 PolarHBondContact O-N 2.88Å; I111-T114 WeakPolarHBondContact CA-OG1 3.34Å; I111-T114 PolarHBondContact O-N 3.03Å; I111-T114 PolarHBondContact O-OG1 3.18Å; I111-E115 HydrophobicContact CG2-CG 4.38Å; I111-E115 WeakPolarHBondContact O-CB 3.39Å; I111-E115 WeakPolarHBondContact O-CG 3.14Å; I111-E115 PolarHBondContact O-N 3.32Å
112M95.7Very high92Very high102 Ų10297.9 Ų97.950%0.50247%0.474SS..Hα-helixtrans-63.7-34.8-178.5-68.7-61.9-67.700112I108 E110 R116I108-M112 HydrophobicContact CG2-CG 4.19Å; I108-M112 WeakPolarHBondContact O-CB 3.38Å; I108-M112 VanDerWaalsContact O-CG 3.22Å; I108-M112 WeakPolarHBondContact O-CG 3.11Å; I108-M112 PolarHBondContact O-N 2.8Å; E110-M112 PolarHBondContact O-N 3.27Å; M112-R116 VanDerWaalsContact O-CG 3.3Å; M112-R116 WeakPolarHBondContact O-CG 3.34Å; M112-R116 PolarHBondContact O-N 3.16Å; M112-R116 PolarHBondContact O-NH1 3.43Å; M112-R116 VanDerWaalsContact O-NH1 3.16Å
113S93.7Very high92.2Very high39 Ų3998.9 Ų98.927%0.27348%0.477SS..Hα-helixtrans-67.6-48.4175.8-174.20000111.5N109 E110 I111 R116 H117N109-S113 WeakPolarHBondContact O-CB 3.37Å; N109-S113 PolarHBondContact O-N 3.22Å; E110-S113 PolarHBondContact O-N 3.27Å; I111-S113 VanDerWaalsContact C-N 3.25Å; I111-S113 PolarHBondContact O-N 2.88Å; S113-R116 PolarHBondContact O-N 2.88Å; S113-H117 PolarHBondContact O-N 3.29Å; S113-H117 PolarHBondContact O-ND1 3.3Å
114T92.5Very high92.6Very high71 Ų7197 Ų9744%0.43647%0.469SS..Hα-helixtrans-63.8-42-17949.90000111.3E110 I111 R116 H117 Y118E110-T114 HydrophobicContact CG-CG2 4.5Å; E110-T114 WeakPolarHBondContact O-CB 3.37Å; E110-T114 WeakPolarHBondContact O-CG2 3.43Å; E110-T114 PolarHBondContact O-N 2.71Å; E110-T114 PolarHBondContact O-OG1 2.84Å; I111-T114 WeakPolarHBondContact CA-OG1 3.34Å; I111-T114 PolarHBondContact O-N 3.03Å; I111-T114 PolarHBondContact O-OG1 3.18Å; T114-R116 PolarHBondContact O-N 3.45Å; T114-H117 PolarHBondContact O-N 3.44Å; T114-Y118 WeakPolarHBondContact O-CB 3.46Å; T114-Y118 PolarHBondContact O-N 2.93Å
115E97.6Very high92.6Very high98 Ų9894.7 Ų94.746%0.45847%0.467SS..Hα-helixtrans-60.3-43174.3-74.3-59.9141.400112.7I111 H117 Y118 I119I111-E115 HydrophobicContact CG2-CG 4.38Å; I111-E115 WeakPolarHBondContact O-CB 3.39Å; I111-E115 WeakPolarHBondContact O-CG 3.14Å; I111-E115 PolarHBondContact O-N 3.32Å; E115-H117 VanDerWaalsContact C-N 3.33Å; E115-H117 PolarHBondContact O-N 2.75Å; E115-Y118 PolarHBondContact O-N 3.06Å; E115-I119 WeakPolarHBondContact O-CG1 3.32Å; E115-I119 PolarHBondContact O-N 2.89Å
116R97Very high92.3Very high146 Ų14697.5 Ų97.555%0.55148%0.483SS*.Hα-helixtrans-61.8-41.9175.2-75.7-172.6-57-92.54.2112.1M112 S113 T114 K120M112-R116 VanDerWaalsContact O-CG 3.3Å; M112-R116 WeakPolarHBondContact O-CG 3.34Å; M112-R116 PolarHBondContact O-N 3.16Å; M112-R116 PolarHBondContact O-NH1 3.43Å; M112-R116 VanDerWaalsContact O-NH1 3.16Å; S113-R116 PolarHBondContact O-N 2.88Å; T114-R116 PolarHBondContact O-N 3.45Å; R116-K120 PolarHBondContact O-N 3.09Å; R116-K120 VanDerWaalsContact O-N 3.16Å
117H92.9Very high92.4Very high105 Ų105100.1 Ų100.149%0.48649%0.493SS..Hα-helixtrans-65.7-43.8176.8-73.788.8000110.9S113 T114 E115 K120 H121S113-H117 PolarHBondContact O-N 3.29Å; S113-H117 PolarHBondContact O-ND1 3.3Å; T114-H117 PolarHBondContact O-N 3.44Å; E115-H117 VanDerWaalsContact C-N 3.33Å; E115-H117 PolarHBondContact O-N 2.75Å; H117-K120 WeakPolarHBondContact O-CB 3.3Å; H117-K120 PolarHBondContact O-N 2.98Å; H117-H121 PolarHBondContact O-CD2 3.16Å; H117-H121 PolarHBondContact O-N 3.29Å
118Y93.3Very high91.8Very high134 Ų134103.2 Ų103.253%0.52550%0.5SS..Hα-helixtrans-59.1-49.5177.7-179.7-109.6000112.2T114 E115 K120 H121 L122T114-Y118 WeakPolarHBondContact O-CB 3.46Å; T114-Y118 PolarHBondContact O-N 2.93Å; E115-Y118 PolarHBondContact O-N 3.06Å; Y118-K120 VanDerWaalsContact C-N 3.27Å; Y118-K120 PolarHBondContact O-N 3.37Å; Y118-H121 WeakPolarHBondContact O-CB 3.41Å; Y118-H121 PolarHBondContact O-N 3.02Å; Y118-H121 VanDerWaalsContact O-N 3.09Å; Y118-L122 HydrophobicContact CD1-CD1 4.03Å; Y118-L122 HydrophobicContact CD1-CG 4.45Å; Y118-L122 HydrophobicContact CE1-CD1 3.47Å; Y118-L122 VanDerWaalsContact CE1-CD1 3.47Å; Y118-L122 HydrophobicContact CE1-CG 4.07Å; Y118-L122 HydrophobicContact CE2-CD2 4.3Å; Y118-L122 HydrophobicContact CE2-CG 4.38Å; Y118-L122 PolarHBondContact O-N 3.05Å
119I96.6Very high90.4Very high86 Ų86103.2 Ų103.244%0.44150%0.504SS..Hα-helixtrans-58.7-39.9176.8-68.2166.5000111.4E115 L122 K123E115-I119 WeakPolarHBondContact O-CG1 3.32Å; E115-I119 PolarHBondContact O-N 2.89Å; I119-L122 PolarHBondContact O-N 3.11Å; I119-K123 WeakPolarHBondContact O-CG 3.47Å; I119-K123 PolarHBondContact O-N 3.35Å
120K93.8Very high88.9Confident124 Ų124100.3 Ų100.354%0.53950%0.498SS..Hα-helixtrans-61.6-47.1175.6-176.6-174.7174.9-173.50111.1R116 H117 Y118 L122 K123 D124R116-K120 PolarHBondContact O-N 3.09Å; R116-K120 VanDerWaalsContact O-N 3.16Å; H117-K120 WeakPolarHBondContact O-CB 3.3Å; H117-K120 PolarHBondContact O-N 2.98Å; Y118-K120 VanDerWaalsContact C-N 3.27Å; Y118-K120 PolarHBondContact O-N 3.37Å; K120-L122 VanDerWaalsContact C-N 3.29Å; K120-L122 PolarHBondContact O-N 3.03Å; K120-K123 PolarHBondContact O-N 2.98Å; K120-K123 VanDerWaalsContact O-N 3.15Å; K120-D124 PolarHBondContact O-N 3.3Å
121H91.3Very high87.2Confident113 Ų11396.4 Ų96.452%0.52349%0.49SS..Hα-helixtrans-58.5-41.6176.7-72.9-63.5000112.1H117 Y118 K123 D124 I125H117-H121 PolarHBondContact O-CD2 3.16Å; H117-H121 PolarHBondContact O-N 3.29Å; Y118-H121 WeakPolarHBondContact O-CB 3.41Å; Y118-H121 PolarHBondContact O-N 3.02Å; Y118-H121 VanDerWaalsContact O-N 3.09Å; H121-K123 PolarHBondContact O-N 3.21Å; H121-D124 PolarHBondContact O-N 3.44Å; H121-I125 WeakPolarHBondContact O-CD1 3.34Å; H121-I125 VanDerWaalsContact O-CG1 3.24Å; H121-I125 WeakPolarHBondContact O-CG1 3.36Å; H121-I125 PolarHBondContact O-N 2.99Å
122L92.8Very high85.3Confident80 Ų8098.3 Ų98.342%0.41950%0.501SS..Hα-helixtrans-61.7-41.6175.9-67.5-177.6000112.7Y118 I119 K120 I125 C126Y118-L122 HydrophobicContact CD1-CD1 4.03Å; Y118-L122 HydrophobicContact CD1-CG 4.45Å; Y118-L122 HydrophobicContact CE1-CD1 3.47Å; Y118-L122 VanDerWaalsContact CE1-CD1 3.47Å; Y118-L122 HydrophobicContact CE1-CG 4.07Å; Y118-L122 HydrophobicContact CE2-CD2 4.3Å; Y118-L122 HydrophobicContact CE2-CG 4.38Å; Y118-L122 PolarHBondContact O-N 3.05Å; I119-L122 PolarHBondContact O-N 3.11Å; K120-L122 VanDerWaalsContact C-N 3.29Å; K120-L122 PolarHBondContact O-N 3.03Å; L122-I125 PolarHBondContact O-N 3.31Å; L122-C126 PolarHBondContact O-N 3.47Å
123K90.1Very high83.3Confident128 Ų128101.5 Ų101.556%0.55752%0.517SS*.Hα-helixtrans-63.4-48175.9-73-178.9177.5-175.50111.6I119 K120 H121 I125 C126 E127I119-K123 WeakPolarHBondContact O-CG 3.47Å; I119-K123 PolarHBondContact O-N 3.35Å; K120-K123 PolarHBondContact O-N 2.98Å; K120-K123 VanDerWaalsContact O-N 3.15Å; H121-K123 PolarHBondContact O-N 3.21Å; K123-I125 VanDerWaalsContact C-N 3.25Å; K123-I125 PolarHBondContact O-N 3.43Å; K123-C126 WeakPolarHBondContact O-CB 3.24Å; K123-C126 PolarHBondContact O-N 3.15Å; K123-C126 VanDerWaalsContact O-N 3.11Å; K123-E127 WeakPolarHBondContact O-CG 3.47Å; K123-E127 PolarHBondContact O-N 2.92Å
124D91.4Very high81.5Confident52 Ų52106.2 Ų106.228%0.27854%0.538SS..Hα-helixtrans-59.7-37.5179.1-690.6000111.6K120 H121 K128K120-D124 PolarHBondContact O-N 3.3Å; H121-D124 PolarHBondContact O-N 3.44Å; D124-K128 WeakPolarHBondContact O-CB 3.5Å; D124-K128 WeakPolarHBondContact O-CD 3.38Å; D124-K128 VanDerWaalsContact O-CG 3.24Å; D124-K128 WeakPolarHBondContact O-CG 3.42Å; D124-K128 PolarHBondContact O-N 2.85Å; D124-K128 VanDerWaalsContact O-N 3.13Å
125I89.7Confident79.5Confident100 Ų100110.1 Ų110.151%0.51356%0.555SS.*Hα-helixtrans-66.1-47.6175-69.7163.9000110.5H121 L122 K123 E127 K128 V129H121-I125 WeakPolarHBondContact O-CD1 3.34Å; H121-I125 VanDerWaalsContact O-CG1 3.24Å; H121-I125 WeakPolarHBondContact O-CG1 3.36Å; H121-I125 PolarHBondContact O-N 2.99Å; L122-I125 PolarHBondContact O-N 3.31Å; K123-I125 VanDerWaalsContact C-N 3.25Å; K123-I125 PolarHBondContact O-N 3.43Å; I125-E127 VanDerWaalsContact C-N 3.33Å; I125-E127 PolarHBondContact O-N 3.38Å; I125-K128 PolarHBondContact O-N 2.95Å; I125-V129 HydrophobicContact CG2-CG2 4.05Å; I125-V129 WeakPolarHBondContact O-CB 3.46Å; I125-V129 WeakPolarHBondContact O-CG2 3.24Å; I125-V129 PolarHBondContact O-N 3.5Å
126C84.1Confident77.1Confident92 Ų92116.8 Ų116.862%0.62259%0.592SS**Hα-helixtrans-60.6-42.6179.9-170.20000111.9L122 K123 G130L122-C126 PolarHBondContact O-N 3.47Å; K123-C126 WeakPolarHBondContact O-CB 3.24Å; K123-C126 PolarHBondContact O-N 3.15Å; K123-C126 VanDerWaalsContact O-N 3.11Å; C126-G130 WeakPolarHBondContact O-CA 3.4Å; C126-G130 PolarHBondContact O-N 2.94Å
127E86.4Confident76.2Confident143 Ų143115.3 Ų115.367%0.66859%0.594SS**Hα-helixtrans-66.6-38.1178.7-72174.3-171.500112.5K123 I125 G131K123-E127 WeakPolarHBondContact O-CG 3.47Å; K123-E127 PolarHBondContact O-N 2.92Å; I125-E127 VanDerWaalsContact C-N 3.33Å; I125-E127 PolarHBondContact O-N 3.38Å; E127-G131 PolarHBondContact O-N 3.13Å
128K75.6Confident75.3Confident144 Ų144115.8 Ų115.863%0.62660%0.6SS**Hα-helixtrans-80.9-44.2-178.5-70.3171.6-175.4165.60113.1D124 I125D124-K128 WeakPolarHBondContact O-CB 3.5Å; D124-K128 WeakPolarHBondContact O-CD 3.38Å; D124-K128 VanDerWaalsContact O-CG 3.24Å; D124-K128 WeakPolarHBondContact O-CG 3.42Å; D124-K128 PolarHBondContact O-N 2.85Å; D124-K128 VanDerWaalsContact O-N 3.13Å; I125-K128 PolarHBondContact O-N 2.95Å
129V65.9Low74.3Confident99 Ų99114.8 Ų114.860%0.660%0.604SS**Hα-helixtrans-77.4-31.7-179.1-179.80000111.4I125 G131I125-V129 HydrophobicContact CG2-CG2 4.05Å; I125-V129 WeakPolarHBondContact O-CB 3.46Å; I125-V129 WeakPolarHBondContact O-CG2 3.24Å; I125-V129 PolarHBondContact O-N 3.5Å; V129-G131 VanDerWaalsContact C-N 3.32Å
130G58.2Low73Confident42 Ų42116.5 Ų116.543%0.43361%0.614SS.*Hα-helixtrans-72.9-21175.400000114.4C126C126-G130 WeakPolarHBondContact O-CA 3.4Å; C126-G130 PolarHBondContact O-N 2.94Å
131G56.5Low71.6Confident37 Ų37116.1 Ų116.138%0.38162%0.619SS.*Hα-helixtrans-78.5-32.6176.400000114.1E127 V129E127-G131 PolarHBondContact O-N 3.13Å; V129-G131 VanDerWaalsContact C-N 3.32Å
132D55.8Low70.3Confident129 Ų129116.3 Ų116.369%0.6963%0.625SS**Hα-helixtrans-81.3-15.2-176-74.8-16.8000113.7I134D132-I134 VanDerWaalsContact C-N 3.29Å; D132-I134 PolarHBondContact O-N 3.43Å
133M54.3Low68.7Low169 Ų169118.9 Ų118.983%0.83364%0.64SS**THydrogen-bonded Turntrans-84.63.5178.3-154.3166.369.100113.9
134I54.9Low67.1Low139 Ų139118.2 Ų118.271%0.71365%0.646SS**THydrogen-bonded Turntrans-1106.2178.7-37179.4000111.8D132D132-I134 VanDerWaalsContact C-N 3.29Å; D132-I134 PolarHBondContact O-N 3.43Å
135L51.8Low65.1Low152 Ų152123.7 Ų123.780%0.79668%0.677SS**  trans-128.543.6178.1-68.1177000113.4
136L47.8Very low62.8Low238 Ų238125.8 Ų125.8100%1.24669%0.692SS**  trans-133.20160.6-82.4169.8000110.5

Retrieved 136 of 136 residues in 100.7 ms (Link to these results)