A0A087XX88_POEFO Loading...

SH3 domain-binding glutamic acid-rich-like protein

AlphaFold DB , UniProt , Accession A0A087XX88, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 108 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
1M78.7Confident93.4Very high143 Ų14339.4 Ų39.470%0.70424%0.235SC*.  096.70-62.9-170.994.600106.9N71 E72 G96 L97M1-N71 WeakPolarHBondContact CE-ND2 3.37Å; M1-E72 VanDerWaalsContact C-OE1 3.29Å; M1-E72 WeakPolarHBondContact CA-OE1 3.45Å; M1-E72 PolarHBondContact N-OE1 3.37Å; M1-G96 WeakPolarHBondContact CE-O 3.22Å; M1-L97 HydrophobicContact CE-CD2 4.47Å
2V90.1Very high93.3Very high58 Ų5843.2 Ų43.235%0.35229%0.289SS..  trans-121.7119.8178.1-179.40000107.1K4 Q35 E72V2-K4 PolarHBondContact O-N 3.34Å; V2-Q35 HydrophobicContact CG1-CB 4.26Å; V2-E72 PolarHBondContact N-OE1 2.9Å; V2-E72 PolarHBondContact O-N 2.78Å
3I97.1Very high93.4Very high1 Ų143.7 Ų43.71%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-76.1119.8172.4-57.7-52.8000107.5V5 L27 I32 F34 Q35 I69 F70 N71 L95 L97I3-V5 HydrophobicContact CG2-CG2 4.24Å; I3-L27 HydrophobicContact CG2-CD1 4.47Å; I3-I32 HydrophobicContact CG1-CG2 4.29Å; I3-F34 HydrophobicContact CB-CB 3.85Å; I3-F34 HydrophobicContact CG2-CB 4.07Å; I3-F34 CarbonylContact O-C 3.54Å; I3-F34 WeakPolarHBondContact O-CA 3.12Å; I3-F34 VanDerWaalsContact O-CB 3.27Å; I3-F34 WeakPolarHBondContact O-CB 3.48Å; I3-Q35 PolarHBondContact O-N 2.92Å; I3-I69 HydrophobicContact CG2-CG2 3.95Å; I3-F70 CarbonylContact C-O 3.57Å; I3-F70 WeakPolarHBondContact CA-O 3.46Å; I3-N71 HydrophobicContact CD1-CB 3.79Å; I3-L95 HydrophobicContact CD1-CB 3.9Å; I3-L95 HydrophobicContact CD1-CD2 4.25Å; I3-L95 HydrophobicContact CG2-CD2 4.06Å; I3-L97 HydrophobicContact CD1-CD1 4.47Å; I3-L97 HydrophobicContact CD1-CD2 4.13Å; I3-L97 HydrophobicContact CD1-CG 4.31Å; I3-L97 HydrophobicContact CG1-CD1 4.3Å; I3-L97 HydrophobicContact CG1-CD2 4.45Å
4K97.8Very high93.5Very high34 Ų3449.6 Ų49.615%0.14832%0.319CS..EExtended strand (participates in β ladder)trans-102.3123.9174-61177.1-167.7156.90108.3V2 Y6 Q35 F70 E72 D73V2-K4 PolarHBondContact O-N 3.34Å; K4-Y6 HydrophobicContact CB-CE2 4.06Å; K4-Q35 WeakPolarHBondContact CA-O 3.43Å; K4-F70 HydrophobicContact CB-CB 4.36Å; K4-F70 PolarHBondContact N-O 2.83Å; K4-F70 PolarHBondContact O-N 2.96Å; K4-E72 WeakPolarHBondContact CD-O 3.35Å; K4-E72 WeakPolarHBondContact CE-O 3.31Å; K4-E72 PolarHBondContact NZ-O 3.05Å; K4-D73 IonicContact NZ-OD1 2.78Å; K4-D73 PolarHBondContact NZ-OD1 3.38Å
5V97.8Very high93.6Very high0 Ų049.7 Ų49.70%033%0.325CS..EExtended strand (participates in β ladder)trans-109.9109.7175.8-178.70000108I3 V7 L23 L27 F34 Q35 E36 V37 P67I3-V5 HydrophobicContact CG2-CG2 4.24Å; V5-V7 HydrophobicContact CG1-CG1 3.68Å; V5-L23 HydrophobicContact CB-CD2 4.25Å; V5-L23 HydrophobicContact CG1-CD2 3.3Å; V5-L23 HydrophobicContact CG2-CD2 3.88Å; V5-L27 HydrophobicContact CG2-CD1 3.63Å; V5-F34 HydrophobicContact CB-CD2 4.44Å; V5-F34 HydrophobicContact CG2-CB 4.41Å; V5-F34 HydrophobicContact CG2-CD2 3.93Å; V5-F34 HydrophobicContact CG2-CG 4.46Å; V5-Q35 PolarHBondContact N-O 3.22Å; V5-E36 WeakPolarHBondContact O-CA 3.29Å; V5-V37 PolarHBondContact O-N 3.37Å; V5-P67 HydrophobicContact CG1-CB 4.33Å
6Y97.8Very high93.8Very high3 Ų347.1 Ų47.11%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-81.9120.7174.6-68.8-97000109.5K4 V37 I39 Q45 W48 M49 P66 P67 Q68 F70K4-Y6 HydrophobicContact CB-CE2 4.06Å; Y6-V37 WeakPolarHBondContact CA-O 3.43Å; Y6-V37 HydrophobicContact CD1-CB 3.81Å; Y6-V37 HydrophobicContact CD1-CG1 3.76Å; Y6-V37 HydrophobicContact CE1-CB 3.91Å; Y6-V37 HydrophobicContact CE1-CG1 3.59Å; Y6-V37 HydrophobicContact CE1-CG2 4.38Å; Y6-V37 HydrophobicContact CG-CB 4.29Å; Y6-I39 HydrophobicContact CD1-CG2 3.55Å; Y6-I39 HydrophobicContact CE1-CG2 4.44Å; Y6-I39 HydrophobicContact CG-CG2 4.39Å; Y6-Q45 HydrophobicContact CE1-CB 4.33Å; Y6-W48 HydrophobicContact CE1-CE3 4.19Å; Y6-W48 HydrophobicContact CE2-CE3 4.21Å; Y6-W48 AromaticContact CE2-CZ3 3.75Å; Y6-W48 HydrophobicContact CE2-CZ3 3.75Å; Y6-W48 AromaticContact CZ-CE3 3.56Å; Y6-W48 AromaticContact CZ-CZ3 3.54Å; Y6-W48 WeakPolarHBondContact OH-CZ3 3.46Å; Y6-M49 WeakPolarHBondContact CB-SD 3.4Å; Y6-M49 HydrophobicContact CD1-CB 3.93Å; Y6-M49 HydrophobicContact CD1-CG 4.15Å; Y6-M49 HydrophobicContact CD1-SD 4.2Å; Y6-M49 HydrophobicContact CD2-CG 4.28Å; Y6-M49 HydrophobicContact CE1-CB 4.18Å; Y6-M49 HydrophobicContact CG-CB 4.2Å; Y6-M49 HydrophobicContact CG-CG 3.91Å; Y6-M49 HydrophobicContact CG-SD 3.84Å; Y6-P66 WeakPolarHBondContact O-CB 2.89Å; Y6-P67 VanDerWaalsContact O-CA 3.28Å; Y6-P67 WeakPolarHBondContact O-CA 3.26Å; Y6-Q68 PolarHBondContact N-O 2.89Å; Y6-Q68 PolarHBondContact O-N 3.2Å; Y6-Q68 VanDerWaalsContact O-N 3.14Å; Y6-F70 AromaticContact CD2-CD2 3.56Å; Y6-F70 HydrophobicContact CD2-CD2 3.56Å; Y6-F70 AromaticContact CD2-CE2 3.87Å; Y6-F70 HydrophobicContact CD2-CE2 3.87Å; Y6-F70 HydrophobicContact CE2-CB 4.48Å; Y6-F70 AromaticContact CE2-CD2 3.52Å; Y6-F70 HydrophobicContact CE2-CD2 3.52Å; Y6-F70 AromaticContact CE2-CE2 3.95Å; Y6-F70 HydrophobicContact CE2-CE2 3.95Å; Y6-F70 HydrophobicContact CE2-CG 4.14Å
7V97.5Very high93.9Very high7 Ų749.4 Ų49.44%0.04231%0.312CS..EExtended strand (participates in β ladder)trans-124.5157.3-177.3-59.40000110.4V5 Q20 V37 D38 I39V5-V7 HydrophobicContact CG1-CG1 3.68Å; V7-Q20 HydrophobicContact CB-CG 4.18Å; V7-Q20 HydrophobicContact CG1-CB 4.31Å; V7-Q20 HydrophobicContact CG1-CG 4.06Å; V7-V37 PolarHBondContact N-O 3.13Å; V7-D38 HydrophobicContact CG2-CB 4.16Å; V7-D38 CarbonylContact O-C 3.56Å; V7-D38 WeakPolarHBondContact O-CA 3.47Å; V7-I39 WeakPolarHBondContact O-CG1 3.47Å; V7-I39 PolarHBondContact O-N 2.81Å
8A96.1Very high94.1Very high13 Ų1354.1 Ų54.111%0.10733%0.327CS..  trans-118.4101.2165.200000109.7S10 S11 Q20 I39 T40 P66A8-S10 VanDerWaalsContact C-N 3.32Å; A8-S10 PolarHBondContact O-N 2.76Å; A8-S11 WeakPolarHBondContact O-CB 3.46Å; A8-S11 PolarHBondContact O-N 2.86Å; A8-Q20 PolarHBondContact O-NE2 2.78Å; A8-Q20 VanDerWaalsContact O-NE2 3.09Å; A8-Q20 PolarHBondContact O-OE1 2.99Å; A8-I39 HydrophobicContact CB-CG1 4.29Å; A8-T40 WeakPolarHBondContact CA-OG1 3.42Å; A8-P66 HydrophobicContact CB-CG 3.59Å
9S91.9Very high94.3Very high71 Ų7154.2 Ų54.250%0.49732%0.324SS..THydrogen-bonded Turntrans-62.2-36.5-178.665.20000113D38 T40S9-D38 WeakPolarHBondContact CB-OD2 3.29Å; S9-D38 PolarHBondContact N-OD1 2.64Å; S9-D38 VanDerWaalsContact N-OD1 3.15Å; S9-D38 PolarHBondContact OG-OD1 3.28Å; S9-D38 PolarHBondContact OG-OD2 3.39Å; S9-T40 PolarHBondContact N-OG1 3.29Å; S9-T40 PolarHBondContact OG-OG1 3.37Å
10S92.1Very high94.5Very high78 Ų7852.3 Ų52.355%0.54531%0.311SS..THydrogen-bonded Turntrans-96.120.5-179.688.60000114.2A8 G12 T40A8-S10 VanDerWaalsContact C-N 3.32Å; A8-S10 PolarHBondContact O-N 2.76Å; S10-G12 PolarHBondContact O-N 3.41Å; S10-T40 PolarHBondContact N-OG1 3.02Å; S10-T40 WeakPolarHBondContact OG-CG2 3.38Å
11S90.2Very high94.6Very high25 Ų2556.2 Ų56.218%0.17533%0.326CS..  trans-52.6137.3176.3-178.90000112A8 S13 V16 K17A8-S11 WeakPolarHBondContact O-CB 3.46Å; A8-S11 PolarHBondContact O-N 2.86Å; S11-S13 VanDerWaalsContact C-N 3.26Å; S11-S13 PolarHBondContact O-N 3.25Å; S11-S13 PolarHBondContact OG-N 2.77Å; S11-V16 WeakPolarHBondContact OG-CG1 3.41Å; S11-K17 WeakPolarHBondContact O-CE 3.5Å; S11-K17 PolarHBondContact O-NZ 3.35Å
12G92.5Very high95.5Very high85 Ų8551.3 Ų51.388%0.87631%0.309SS*.SBendtrans-76-13.8173.100000113.5S10S10-G12 PolarHBondContact O-N 3.41Å
13S94.7Very high95.9Very high50 Ų5048.6 Ų48.635%0.3529%0.292SS..  trans-91.2120.1-176.8174.20000111.5S11 A15 V16 K17S11-S13 VanDerWaalsContact C-N 3.26Å; S11-S13 PolarHBondContact O-N 3.25Å; S11-S13 PolarHBondContact OG-N 2.77Å; S13-A15 VanDerWaalsContact C-N 3.27Å; S13-A15 PolarHBondContact O-N 3.01Å; S13-A15 PolarHBondContact OG-N 2.89Å; S13-V16 PolarHBondContact O-N 3.15Å; S13-V16 PolarHBondContact OG-N 3.33Å; S13-K17 PolarHBondContact O-N 3.38Å
14I95.5Very high95.9Very high127 Ų12749.2 Ų49.265%0.65130%0.296SS*.Hα-helixtrans-61.9-38.1175-64.4171.7000110.8K17 K18I14-K17 PolarHBondContact O-N 3.42Å; I14-K18 HydrophobicContact CG2-CD 4.4Å; I14-K18 WeakPolarHBondContact O-CG 3.47Å; I14-K18 PolarHBondContact O-N 3.03Å
15A95.1Very high95.8Very high50 Ų5049.1 Ų49.141%0.41330%0.304SS..Hα-helixtrans-61.3-48.1178.600000111.1S13 K17 K18 H19S13-A15 VanDerWaalsContact C-N 3.27Å; S13-A15 PolarHBondContact O-N 3.01Å; S13-A15 PolarHBondContact OG-N 2.89Å; A15-K17 VanDerWaalsContact C-N 3.33Å; A15-K17 PolarHBondContact O-N 3.18Å; A15-K18 PolarHBondContact O-N 2.97Å; A15-K18 VanDerWaalsContact O-N 3.14Å; A15-H19 PolarHBondContact O-CD2 2.88Å; A15-H19 VanDerWaalsContact O-CG 3.28Å; A15-H19 PolarHBondContact O-N 2.9Å
16V95.9Very high95.8Very high9 Ų950.8 Ų50.86%0.05531%0.311CS..Hα-helixtrans-57.1-45.7176.4166.90000111.3S11 S13 K18 H19 Q20 L65 P66S11-V16 WeakPolarHBondContact OG-CG1 3.41Å; S13-V16 PolarHBondContact O-N 3.15Å; S13-V16 PolarHBondContact OG-N 3.33Å; V16-K18 VanDerWaalsContact C-N 3.35Å; V16-K18 PolarHBondContact O-N 3.43Å; V16-H19 PolarHBondContact O-N 2.86Å; V16-Q20 HydrophobicContact CG1-CG 4.47Å; V16-Q20 VanDerWaalsContact CG1-OE1 3.27Å; V16-Q20 VanDerWaalsContact O-CG 3.31Å; V16-Q20 WeakPolarHBondContact O-CG 3.46Å; V16-Q20 PolarHBondContact O-N 3.26Å; V16-L65 HydrophobicContact CG2-CB 4.49Å; V16-L65 HydrophobicContact CG2-CD1 4.47Å; V16-P66 HydrophobicContact CG1-CG 3.99Å; V16-P66 WeakPolarHBondContact CG1-O 3.33Å
17K96.4Very high95.7Very high85 Ų8550.7 Ų50.737%0.3731%0.311SS..Hα-helixtrans-59.9-44.1177-69.7-172.1-170.1-179.60112.3S11 S13 I14 A15 Q20 Q21S11-K17 WeakPolarHBondContact O-CE 3.5Å; S11-K17 PolarHBondContact O-NZ 3.35Å; S13-K17 PolarHBondContact O-N 3.38Å; I14-K17 PolarHBondContact O-N 3.42Å; A15-K17 VanDerWaalsContact C-N 3.33Å; A15-K17 PolarHBondContact O-N 3.18Å; K17-Q20 PolarHBondContact O-N 2.87Å; K17-Q21 WeakPolarHBondContact O-CB 3.42Å; K17-Q21 VanDerWaalsContact O-CG 3.29Å; K17-Q21 WeakPolarHBondContact O-CG 3.24Å; K17-Q21 PolarHBondContact O-N 3.49Å
18K97.1Very high95.6Very high135 Ų13556 Ų5659%0.58734%0.336SS*.Hα-helixtrans-63.9-41.8178.4-75.2-174.2174.5-173.40112I14 A15 V16 Q21 A22I14-K18 HydrophobicContact CG2-CD 4.4Å; I14-K18 WeakPolarHBondContact O-CG 3.47Å; I14-K18 PolarHBondContact O-N 3.03Å; A15-K18 PolarHBondContact O-N 2.97Å; A15-K18 VanDerWaalsContact O-N 3.14Å; V16-K18 VanDerWaalsContact C-N 3.35Å; V16-K18 PolarHBondContact O-N 3.43Å; K18-Q21 PolarHBondContact O-N 2.88Å; K18-A22 VanDerWaalsContact O-CB 3.27Å; K18-A22 WeakPolarHBondContact O-CB 3.26Å; K18-A22 PolarHBondContact O-N 3.42Å
19H97.9Very high95.6Very high56 Ų5659.4 Ų59.426%0.25936%0.363SS..Hα-helixtrans-63.8-45.3177.4-66.2-32.3000112.2A15 V16 A22 L23 P67 Y79A15-H19 PolarHBondContact O-CD2 2.88Å; A15-H19 VanDerWaalsContact O-CG 3.28Å; A15-H19 PolarHBondContact O-N 2.9Å; V16-H19 PolarHBondContact O-N 2.86Å; H19-A22 PolarHBondContact O-N 3.38Å; H19-L23 WeakPolarHBondContact O-CB 3.15Å; H19-L23 PolarHBondContact O-N 2.94Å; H19-P67 HydrophobicContact CB-CG 4.29Å; H19-Y79 HydrophobicContact CB-CD1 4.03Å; H19-Y79 HydrophobicContact CB-CD2 3.54Å; H19-Y79 HydrophobicContact CB-CE1 4.4Å; H19-Y79 HydrophobicContact CB-CE2 3.9Å; H19-Y79 HydrophobicContact CB-CG 3.6Å; H19-Y79 AromaticContact CE1-CD1 3.76Å; H19-Y79 AromaticContact CE1-CE1 3.48Å; H19-Y79 VanDerWaalsContact CE1-CE1 3.48Å; H19-Y79 WeakPolarHBondContact CE1-CE1 3.42Å; H19-Y79 AromaticContact CG-CD1 3.58Å; H19-Y79 AromaticContact CG-CD2 4Å; H19-Y79 AromaticContact CG-CE1 3.8Å; H19-Y79 AromaticContact CG-CG 3.7Å; H19-Y79 AromaticContact ND1-CD1 3.36Å; H19-Y79 WeakPolarHBondContact ND1-CD1 3.4Å; H19-Y79 AromaticContact ND1-CE1 3.07Å; H19-Y79 WeakPolarHBondContact ND1-CE1 3.32Å; H19-Y79 AromaticContact ND1-CE2 3.81Å; H19-Y79 AromaticContact ND1-CG 3.86Å; H19-Y79 AromaticContact ND1-CZ 3.31Å; H19-Y79 VanDerWaalsContact ND1-CZ 3.31Å; H19-Y79 WeakPolarHBondContact O-CD2 3.44Å; H19-Y79 WeakPolarHBondContact O-CE2 3.29Å
20Q98Very high95.6Very high15 Ų1559.3 Ų59.37%0.0736%0.357CS..Hα-helixtrans-58.3-50174.1-70.2169.7-176.300111.4V7 A8 V16 K17 A22 L23 V24 P66 P67V7-Q20 HydrophobicContact CB-CG 4.18Å; V7-Q20 HydrophobicContact CG1-CB 4.31Å; V7-Q20 HydrophobicContact CG1-CG 4.06Å; A8-Q20 PolarHBondContact O-NE2 2.78Å; A8-Q20 VanDerWaalsContact O-NE2 3.09Å; A8-Q20 PolarHBondContact O-OE1 2.99Å; V16-Q20 HydrophobicContact CG1-CG 4.47Å; V16-Q20 VanDerWaalsContact CG1-OE1 3.27Å; V16-Q20 VanDerWaalsContact O-CG 3.31Å; V16-Q20 WeakPolarHBondContact O-CG 3.46Å; V16-Q20 PolarHBondContact O-N 3.26Å; K17-Q20 PolarHBondContact O-N 2.87Å; Q20-A22 PolarHBondContact O-N 3.27Å; Q20-L23 PolarHBondContact O-N 3.25Å; Q20-V24 WeakPolarHBondContact O-CB 3.39Å; Q20-V24 VanDerWaalsContact O-CG2 3.32Å; Q20-V24 WeakPolarHBondContact O-CG2 3Å; Q20-V24 PolarHBondContact O-N 3.2Å; Q20-P66 VanDerWaalsContact OE1-CG 3.31Å; Q20-P67 HydrophobicContact CG-CB 4.01Å; Q20-P67 HydrophobicContact CG-CG 4.27Å
21Q97.4Very high95.7Very high136 Ų13666.6 Ų66.664%0.63637%0.373SS*.Hα-helixtrans-61.4-42179.2-74.8174.6-12.900112.5K17 K18 G25K17-Q21 WeakPolarHBondContact O-CB 3.42Å; K17-Q21 VanDerWaalsContact O-CG 3.29Å; K17-Q21 WeakPolarHBondContact O-CG 3.24Å; K17-Q21 PolarHBondContact O-N 3.49Å; K18-Q21 PolarHBondContact O-N 2.88Å; Q21-G25 PolarHBondContact O-N 3.19Å
22A97.1Very high95.8Very high40 Ų4066 Ų6633%0.33137%0.368SS..Hα-helixtrans-65.3-39.3179.400000112.3K18 H19 Q20 F26 Y79K18-A22 VanDerWaalsContact O-CB 3.27Å; K18-A22 WeakPolarHBondContact O-CB 3.26Å; K18-A22 PolarHBondContact O-N 3.42Å; H19-A22 PolarHBondContact O-N 3.38Å; Q20-A22 PolarHBondContact O-N 3.27Å; A22-F26 WeakPolarHBondContact O-CB 3.45Å; A22-F26 PolarHBondContact O-N 2.79Å; A22-F26 VanDerWaalsContact O-N 3.16Å; A22-Y79 HydrophobicContact CB-CE2 4.06Å
23L97.4Very high95.8Very high0 Ų068.9 Ų68.90%036%0.363CS..Hα-helixtrans-67.1-54.8175-178.391.5000111.1V5 H19 Q20 G25 F26 L27 P67 I69 F82V5-L23 HydrophobicContact CB-CD2 4.25Å; V5-L23 HydrophobicContact CG1-CD2 3.3Å; V5-L23 HydrophobicContact CG2-CD2 3.88Å; H19-L23 WeakPolarHBondContact O-CB 3.15Å; H19-L23 PolarHBondContact O-N 2.94Å; Q20-L23 PolarHBondContact O-N 3.25Å; L23-G25 PolarHBondContact O-N 2.9Å; L23-F26 WeakPolarHBondContact O-CB 3.44Å; L23-F26 PolarHBondContact O-N 3.42Å; L23-F26 VanDerWaalsContact O-N 3.13Å; L23-L27 HydrophobicContact CG-CD1 4.38Å; L23-L27 WeakPolarHBondContact O-CG 3.27Å; L23-L27 PolarHBondContact O-N 2.98Å; L23-P67 HydrophobicContact CD2-CB 3.92Å; L23-P67 HydrophobicContact CD2-CG 4.36Å; L23-I69 HydrophobicContact CD1-CD1 3.87Å; L23-I69 HydrophobicContact CD1-CG1 3.93Å; L23-I69 HydrophobicContact CD2-CD1 4.04Å; L23-I69 HydrophobicContact CD2-CG1 3.69Å; L23-I69 HydrophobicContact CG-CG1 4.47Å; L23-F82 HydrophobicContact CB-CE1 4.39Å; L23-F82 HydrophobicContact CD1-CB 3.82Å; L23-F82 HydrophobicContact CD1-CD1 3.46Å; L23-F82 VanDerWaalsContact CD1-CD1 3.46Å; L23-F82 HydrophobicContact CD1-CD2 3.47Å; L23-F82 VanDerWaalsContact CD1-CD2 3.47Å; L23-F82 HydrophobicContact CD1-CE1 3.81Å; L23-F82 HydrophobicContact CD1-CE2 3.82Å; L23-F82 HydrophobicContact CD1-CG 3.26Å; L23-F82 HydrophobicContact CD1-CZ 3.97Å
24V97.2Very high96Very high15 Ų1568.8 Ų68.89%0.09136%0.356CS..Hα-helixtrans-56.6-51.6-179.1167.80000110.3Q20 F26 L27 E28 F34 E36Q20-V24 WeakPolarHBondContact O-CB 3.39Å; Q20-V24 VanDerWaalsContact O-CG2 3.32Å; Q20-V24 WeakPolarHBondContact O-CG2 3Å; Q20-V24 PolarHBondContact O-N 3.2Å; V24-F26 PolarHBondContact O-N 3.49Å; V24-L27 PolarHBondContact O-N 3.32Å; V24-E28 HydrophobicContact CG1-CG 4.42Å; V24-E28 WeakPolarHBondContact O-CG 3.1Å; V24-E28 PolarHBondContact O-N 2.77Å; V24-F34 HydrophobicContact CB-CE2 4.48Å; V24-F34 HydrophobicContact CG1-CE2 4.06Å; V24-F34 HydrophobicContact CG1-CZ 3.85Å; V24-F34 HydrophobicContact CG2-CE2 4.18Å; V24-E36 WeakPolarHBondContact CG1-OE1 3.43Å; V24-E36 HydrophobicContact CG2-CG 4.3Å
25G97.3Very high96Very high31 Ų3167.6 Ų67.632%0.3235%0.348SS..Hα-helixtrans-61.9-31.7179.300000113.2Q21 L23 A29Q21-G25 PolarHBondContact O-N 3.19Å; L23-G25 PolarHBondContact O-N 2.9Å; G25-A29 WeakPolarHBondContact O-CB 3.31Å; G25-A29 PolarHBondContact O-N 3.18Å
26F96.6Very high96.1Very high35 Ų3569.8 Ų69.815%0.15435%0.35CS..Hα-helixtrans-67.4-46.2172.3178.2-85.1000111.9A22 L23 V24 E28 A29 N30 I32 F82 K86 V91A22-F26 WeakPolarHBondContact O-CB 3.45Å; A22-F26 PolarHBondContact O-N 2.79Å; A22-F26 VanDerWaalsContact O-N 3.16Å; L23-F26 WeakPolarHBondContact O-CB 3.44Å; L23-F26 PolarHBondContact O-N 3.42Å; L23-F26 VanDerWaalsContact O-N 3.13Å; V24-F26 PolarHBondContact O-N 3.49Å; F26-E28 VanDerWaalsContact C-N 3.33Å; F26-E28 PolarHBondContact O-N 3.04Å; F26-A29 PolarHBondContact O-N 3.32Å; F26-N30 WeakPolarHBondContact CD2-ND2 3.46Å; F26-N30 HydrophobicContact CE1-CB 4.46Å; F26-N30 WeakPolarHBondContact CE1-ND2 3.27Å; F26-N30 VanDerWaalsContact CE2-ND2 3.29Å; F26-N30 WeakPolarHBondContact CE2-ND2 3.39Å; F26-N30 VanDerWaalsContact CZ-ND2 3.26Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.28Å; F26-N30 WeakPolarHBondContact O-CB 3.32Å; F26-N30 PolarHBondContact O-N 2.83Å; F26-N30 PolarHBondContact O-ND2 3.4Å; F26-I32 HydrophobicContact CE1-CD1 4.42Å; F26-F82 HydrophobicContact CB-CZ 3.75Å; F26-F82 AromaticContact CD1-CE2 3.67Å; F26-F82 HydrophobicContact CD1-CE2 3.67Å; F26-F82 AromaticContact CD1-CZ 3.7Å; F26-F82 HydrophobicContact CD1-CZ 3.7Å; F26-F82 HydrophobicContact CD2-CZ 4.24Å; F26-F82 HydrophobicContact CE1-CE2 4.08Å; F26-F82 HydrophobicContact CE1-CZ 4.41Å; F26-F82 HydrophobicContact CG-CE2 4.09Å; F26-F82 AromaticContact CG-CZ 3.62Å; F26-F82 HydrophobicContact CG-CZ 3.62Å; F26-K86 HydrophobicContact CD2-CD 4.05Å; F26-K86 HydrophobicContact CE2-CD 4.14Å; F26-K86 HydrophobicContact CE2-CG 4.13Å; F26-V91 HydrophobicContact CD1-CG1 4.46Å; F26-V91 HydrophobicContact CE1-CB 4.16Å; F26-V91 HydrophobicContact CE1-CG1 3.66Å; F26-V91 HydrophobicContact CE1-CG2 4.12Å; F26-V91 HydrophobicContact CZ-CB 4.26Å; F26-V91 HydrophobicContact CZ-CG1 4.25Å; F26-V91 HydrophobicContact CZ-CG2 3.89Å
27L95.8Very high96.1Very high1 Ų169.9 Ų69.91%0.00535%0.35CS..Hα-helixtrans-61.9-43.7179.9-63.8175.6000111I3 V5 L23 V24 N30 R31 I32 F34 L95I3-L27 HydrophobicContact CG2-CD1 4.47Å; V5-L27 HydrophobicContact CG2-CD1 3.63Å; L23-L27 HydrophobicContact CG-CD1 4.38Å; L23-L27 WeakPolarHBondContact O-CG 3.27Å; L23-L27 PolarHBondContact O-N 2.98Å; V24-L27 PolarHBondContact O-N 3.32Å; L27-N30 CarbonylContact O-C 3.55Å; L27-N30 PolarHBondContact O-N 2.79Å; L27-R31 PolarHBondContact O-N 3.39Å; L27-R31 VanDerWaalsContact O-N 3.13Å; L27-I32 HydrophobicContact CB-CB 4.38Å; L27-I32 HydrophobicContact CD2-CB 4.12Å; L27-I32 HydrophobicContact CD2-CD1 3.88Å; L27-I32 HydrophobicContact CD2-CG2 4.02Å; L27-I32 PolarHBondContact O-N 2.9Å; L27-F34 HydrophobicContact CB-CD1 3.53Å; L27-F34 HydrophobicContact CB-CE1 3.57Å; L27-F34 HydrophobicContact CB-CG 4.24Å; L27-F34 HydrophobicContact CB-CZ 4.27Å; L27-F34 HydrophobicContact CD1-CB 4.03Å; L27-F34 HydrophobicContact CD1-CD1 3.89Å; L27-F34 HydrophobicContact CD1-CD2 3.99Å; L27-F34 HydrophobicContact CD1-CE1 4.4Å; L27-F34 HydrophobicContact CD1-CE2 4.44Å; L27-F34 HydrophobicContact CD1-CG 3.7Å; L27-F34 HydrophobicContact CG-CD1 4.34Å; L27-L95 HydrophobicContact CD2-CD1 3.77Å
28E95.9Very high96.1Very high120 Ų12068.4 Ų68.456%0.56135%0.346SS*.Hα-helixtrans-61-49.7174.8-68179.3146.200112.1V24 F26 N30 R31 F34V24-E28 HydrophobicContact CG1-CG 4.42Å; V24-E28 WeakPolarHBondContact O-CG 3.1Å; V24-E28 PolarHBondContact O-N 2.77Å; F26-E28 VanDerWaalsContact C-N 3.33Å; F26-E28 PolarHBondContact O-N 3.04Å; E28-N30 PolarHBondContact O-N 3.33Å; E28-R31 PolarHBondContact O-N 3.23Å; E28-F34 HydrophobicContact CG-CE1 3.79Å; E28-F34 HydrophobicContact CG-CZ 3.78Å
29A95.9Very high96Very high83 Ų8362.3 Ų62.369%0.68632%0.32SS*.Hα-helixtrans-60.8-31.9-179.900000112.7G25 F26G25-A29 WeakPolarHBondContact O-CB 3.31Å; G25-A29 PolarHBondContact O-N 3.18Å; F26-A29 PolarHBondContact O-N 3.32Å
30N92.2Very high95.7Very high69 Ų6961.2 Ų61.237%0.36932%0.318SS..THydrogen-bonded Turntrans-91.75.8177.5-71.2-87.9000113.4F26 L27 E28 I32F26-N30 WeakPolarHBondContact CD2-ND2 3.46Å; F26-N30 HydrophobicContact CE1-CB 4.46Å; F26-N30 WeakPolarHBondContact CE1-ND2 3.27Å; F26-N30 VanDerWaalsContact CE2-ND2 3.29Å; F26-N30 WeakPolarHBondContact CE2-ND2 3.39Å; F26-N30 VanDerWaalsContact CZ-ND2 3.26Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.28Å; F26-N30 WeakPolarHBondContact O-CB 3.32Å; F26-N30 PolarHBondContact O-N 2.83Å; F26-N30 PolarHBondContact O-ND2 3.4Å; L27-N30 CarbonylContact O-C 3.55Å; L27-N30 PolarHBondContact O-N 2.79Å; E28-N30 PolarHBondContact O-N 3.33Å; N30-I32 HydrophobicContact CB-CD1 3.95Å; N30-I32 HydrophobicContact CB-CG1 4.06Å; N30-I32 PolarHBondContact O-N 2.78Å
31R92.9Very high95.2Very high231 Ų23168.5 Ų68.587%0.87235%0.354SS*.THydrogen-bonded Turntrans52.636.4-177.9-55.6-175.9-178.8131.1-0.3113.2L27 E28L27-R31 PolarHBondContact O-N 3.39Å; L27-R31 VanDerWaalsContact O-N 3.13Å; E28-R31 PolarHBondContact O-N 3.23Å
32I93.1Very high94.9Very high14 Ų1466.4 Ų66.47%0.07235%0.346CS..  trans-82.8127.9172.7-63.3168.6000106.6I3 F26 L27 N30 F34 F92 L95 L97I3-I32 HydrophobicContact CG1-CG2 4.29Å; F26-I32 HydrophobicContact CE1-CD1 4.42Å; L27-I32 HydrophobicContact CB-CB 4.38Å; L27-I32 HydrophobicContact CD2-CB 4.12Å; L27-I32 HydrophobicContact CD2-CD1 3.88Å; L27-I32 HydrophobicContact CD2-CG2 4.02Å; L27-I32 PolarHBondContact O-N 2.9Å; N30-I32 HydrophobicContact CB-CD1 3.95Å; N30-I32 HydrophobicContact CB-CG1 4.06Å; N30-I32 PolarHBondContact O-N 2.78Å; I32-F34 VanDerWaalsContact O-CD1 3.28Å; I32-F34 WeakPolarHBondContact O-CD1 2.88Å; I32-F92 HydrophobicContact CD1-CE1 4.23Å; I32-F92 HydrophobicContact CD1-CZ 4.14Å; I32-F92 HydrophobicContact CG1-CE1 4.21Å; I32-F92 HydrophobicContact CG1-CZ 4.31Å; I32-L95 HydrophobicContact CD1-CD1 3.95Å; I32-L95 HydrophobicContact CG2-CD1 4.27Å; I32-L97 HydrophobicContact CG2-CD1 3.75Å
33N93.4Very high94.7Very high145 Ų14570.1 Ų70.178%0.77536%0.357SS*.  trans-76.5127.7175-71.3-19.2000110
34F96.8Very high94.6Very high47 Ų4777.6 Ų77.621%0.20639%0.392CS..EExtended strand (participates in β ladder)trans-144.3164.6177.466.5-77000111.1I3 V5 V24 L27 E28 I32 E36I3-F34 HydrophobicContact CB-CB 3.85Å; I3-F34 HydrophobicContact CG2-CB 4.07Å; I3-F34 CarbonylContact O-C 3.54Å; I3-F34 WeakPolarHBondContact O-CA 3.12Å; I3-F34 VanDerWaalsContact O-CB 3.27Å; I3-F34 WeakPolarHBondContact O-CB 3.48Å; V5-F34 HydrophobicContact CB-CD2 4.44Å; V5-F34 HydrophobicContact CG2-CB 4.41Å; V5-F34 HydrophobicContact CG2-CD2 3.93Å; V5-F34 HydrophobicContact CG2-CG 4.46Å; V24-F34 HydrophobicContact CB-CE2 4.48Å; V24-F34 HydrophobicContact CG1-CE2 4.06Å; V24-F34 HydrophobicContact CG1-CZ 3.85Å; V24-F34 HydrophobicContact CG2-CE2 4.18Å; L27-F34 HydrophobicContact CB-CD1 3.53Å; L27-F34 HydrophobicContact CB-CE1 3.57Å; L27-F34 HydrophobicContact CB-CG 4.24Å; L27-F34 HydrophobicContact CB-CZ 4.27Å; L27-F34 HydrophobicContact CD1-CB 4.03Å; L27-F34 HydrophobicContact CD1-CD1 3.89Å; L27-F34 HydrophobicContact CD1-CD2 3.99Å; L27-F34 HydrophobicContact CD1-CE1 4.4Å; L27-F34 HydrophobicContact CD1-CE2 4.44Å; L27-F34 HydrophobicContact CD1-CG 3.7Å; L27-F34 HydrophobicContact CG-CD1 4.34Å; E28-F34 HydrophobicContact CG-CE1 3.79Å; E28-F34 HydrophobicContact CG-CZ 3.78Å; I32-F34 VanDerWaalsContact O-CD1 3.28Å; I32-F34 WeakPolarHBondContact O-CD1 2.88Å; F34-E36 HydrophobicContact CD2-CG 3.89Å; F34-E36 HydrophobicContact CE2-CG 3.44Å; F34-E36 VanDerWaalsContact CE2-CG 3.44Å
35Q97.1Very high94.6Very high102 Ų10280 Ų8048%0.47740%0.402SS..EExtended strand (participates in β ladder)trans-115.8123.8171.7-178.9-178.69.400108.6V2 I3 K4 V5 V37V2-Q35 HydrophobicContact CG1-CB 4.26Å; I3-Q35 PolarHBondContact O-N 2.92Å; K4-Q35 WeakPolarHBondContact CA-O 3.43Å; V5-Q35 PolarHBondContact N-O 3.22Å; Q35-V37 HydrophobicContact CG-CG2 4.19Å
36E96.2Very high94.5Very high96 Ų9682.7 Ų82.745%0.44940%0.402SS..EExtended strand (participates in β ladder)trans-80.1125.7166.8-63.8-172.1-129.900110V5 V24 F34V5-E36 WeakPolarHBondContact O-CA 3.29Å; V24-E36 WeakPolarHBondContact CG1-OE1 3.43Å; V24-E36 HydrophobicContact CG2-CG 4.3Å; F34-E36 HydrophobicContact CD2-CG 3.89Å; F34-E36 HydrophobicContact CE2-CG 3.44Å; F34-E36 VanDerWaalsContact CE2-CG 3.44Å
37V96.4Very high94.4Very high11 Ų1184 Ų847%0.06741%0.411CS..EExtended strand (participates in β ladder)trans-112.899.5175.7-1740000107.7V5 Y6 V7 Q35 I39 Q45V5-V37 PolarHBondContact O-N 3.37Å; Y6-V37 WeakPolarHBondContact CA-O 3.43Å; Y6-V37 HydrophobicContact CD1-CB 3.81Å; Y6-V37 HydrophobicContact CD1-CG1 3.76Å; Y6-V37 HydrophobicContact CE1-CB 3.91Å; Y6-V37 HydrophobicContact CE1-CG1 3.59Å; Y6-V37 HydrophobicContact CE1-CG2 4.38Å; Y6-V37 HydrophobicContact CG-CB 4.29Å; V7-V37 PolarHBondContact N-O 3.13Å; Q35-V37 HydrophobicContact CG-CG2 4.19Å; V37-I39 PolarHBondContact O-N 2.99Å; V37-Q45 HydrophobicContact CG1-CB 3.94Å; V37-Q45 HydrophobicContact CG1-CG 3.94Å
38D95.8Very high94.4Very high54 Ų5487.2 Ų87.229%0.28942%0.423SS..EExtended strand (participates in β ladder)trans-78.3108.4179.1-173.22.9000111.4V7 S9 T40 L42V7-D38 HydrophobicContact CG2-CB 4.16Å; V7-D38 CarbonylContact O-C 3.56Å; V7-D38 WeakPolarHBondContact O-CA 3.47Å; S9-D38 WeakPolarHBondContact CB-OD2 3.29Å; S9-D38 PolarHBondContact N-OD1 2.64Å; S9-D38 VanDerWaalsContact N-OD1 3.15Å; S9-D38 PolarHBondContact OG-OD1 3.28Å; S9-D38 PolarHBondContact OG-OD2 3.39Å; D38-T40 VanDerWaalsContact C-N 3.29Å; D38-T40 PolarHBondContact O-N 3.04Å; D38-T40 WeakPolarHBondContact OD1-CB 3.26Å; D38-T40 PolarHBondContact OD1-N 3.27Å; D38-T40 PolarHBondContact OD1-OG1 2.88Å; D38-L42 VanDerWaalsContact O-CD1 3.3Å; D38-L42 WeakPolarHBondContact O-CD1 3.33Å; D38-L42 WeakPolarHBondContact O-CG 3.47Å
39I95.4Very high94.4Very high8 Ų881.5 Ų81.54%0.04140%0.396CS..  trans-84.7-1-176.570.3-174000113.7Y6 V7 A8 V37 M41 L42 Q45 R46 M49 P66Y6-I39 HydrophobicContact CD1-CG2 3.55Å; Y6-I39 HydrophobicContact CE1-CG2 4.44Å; Y6-I39 HydrophobicContact CG-CG2 4.39Å; V7-I39 WeakPolarHBondContact O-CG1 3.47Å; V7-I39 PolarHBondContact O-N 2.81Å; A8-I39 HydrophobicContact CB-CG1 4.29Å; V37-I39 PolarHBondContact O-N 2.99Å; I39-M41 VanDerWaalsContact C-N 3.31Å; I39-M41 PolarHBondContact O-N 3.2Å; I39-L42 PolarHBondContact O-N 3.32Å; I39-Q45 HydrophobicContact CG2-CB 4.29Å; I39-R46 HydrophobicContact CB-CB 4.01Å; I39-R46 HydrophobicContact CB-CG 4.5Å; I39-R46 HydrophobicContact CD1-CG 4.31Å; I39-M49 HydrophobicContact CD1-CE 3.59Å; I39-M49 HydrophobicContact CD1-SD 3.85Å; I39-P66 HydrophobicContact CD1-CG 4.41Å
40T91Very high94.4Very high33 Ų3379.7 Ų79.720%0.20237%0.372CS..SBendtrans-54-46-173.9-63.40000112.9A8 S9 S10 D38A8-T40 WeakPolarHBondContact CA-OG1 3.42Å; S9-T40 PolarHBondContact N-OG1 3.29Å; S9-T40 PolarHBondContact OG-OG1 3.37Å; S10-T40 PolarHBondContact N-OG1 3.02Å; S10-T40 WeakPolarHBondContact OG-CG2 3.38Å; D38-T40 VanDerWaalsContact C-N 3.29Å; D38-T40 PolarHBondContact O-N 3.04Å; D38-T40 WeakPolarHBondContact OD1-CB 3.26Å; D38-T40 PolarHBondContact OD1-N 3.27Å; D38-T40 PolarHBondContact OD1-OG1 2.88Å
41M87.6Confident94.6Very high168 Ų16885.5 Ų85.583%0.82839%0.389SS*.SBendtrans-119.26.4179.7-61.3-59.7179.900112.5I39I39-M41 VanDerWaalsContact C-N 3.31Å; I39-M41 PolarHBondContact O-N 3.2Å
42L91.7Very high94.7Very high92 Ų9277.6 Ų77.648%0.48236%0.364SS..  trans-107.182.3-178.5-60.8-175.7000109.7D38 I39 E44 Q45 R46D38-L42 VanDerWaalsContact O-CD1 3.3Å; D38-L42 WeakPolarHBondContact O-CD1 3.33Å; D38-L42 WeakPolarHBondContact O-CG 3.47Å; I39-L42 PolarHBondContact O-N 3.32Å; L42-E44 VanDerWaalsContact C-N 3.3Å; L42-E44 PolarHBondContact O-N 3.44Å; L42-Q45 HydrophobicContact CB-CB 3.95Å; L42-Q45 HydrophobicContact CB-CG 4.04Å; L42-Q45 HydrophobicContact CD1-CG 4.19Å; L42-Q45 PolarHBondContact O-N 3.14Å; L42-R46 PolarHBondContact O-N 2.87Å
43E93.1Very high94.9Very high118 Ų11877.1 Ų77.155%0.55136%0.361SS*.Hα-helixtrans-58.6-41.2-176.5177.1162.1-148.800112.8Q45 R46 L47E43-Q45 VanDerWaalsContact C-N 3.34Å; E43-Q45 PolarHBondContact O-N 2.95Å; E43-R46 WeakPolarHBondContact O-CB 3.5Å; E43-R46 PolarHBondContact O-N 2.78Å; E43-R46 IonicContact OE1-NH2 3.36Å; E43-R46 PolarHBondContact OE1-NH2 3.34Å; E43-L47 HydrophobicContact CG-CD1 3.93Å; E43-L47 HydrophobicContact CG-CG 4.22Å; E43-L47 WeakPolarHBondContact O-CB 3.25Å; E43-L47 WeakPolarHBondContact O-CG 3.39Å; E43-L47 PolarHBondContact O-N 3.18Å
44E95.9Very high95Very high157 Ų15772.6 Ų72.673%0.73434%0.34SS*.Hα-helixtrans-59.1-46.2177.8-174.7178.9-173.500111.5L42 L47 W48L42-E44 VanDerWaalsContact C-N 3.3Å; L42-E44 PolarHBondContact O-N 3.44Å; E44-L47 PolarHBondContact O-N 2.63Å; E44-W48 VanDerWaalsContact O-CB 3.31Å; E44-W48 WeakPolarHBondContact O-CB 3.36Å; E44-W48 PolarHBondContact O-N 3Å
45Q95.5Very high94.7Very high64 Ų6478.6 Ų78.630%0.29937%0.366SS..Hα-helixtrans-67.1-38.7178.3-64.9-60.5-32.400111.7Y6 V37 I39 L42 E43 W48 M49Y6-Q45 HydrophobicContact CE1-CB 4.33Å; V37-Q45 HydrophobicContact CG1-CB 3.94Å; V37-Q45 HydrophobicContact CG1-CG 3.94Å; I39-Q45 HydrophobicContact CG2-CB 4.29Å; L42-Q45 HydrophobicContact CB-CB 3.95Å; L42-Q45 HydrophobicContact CB-CG 4.04Å; L42-Q45 HydrophobicContact CD1-CG 4.19Å; L42-Q45 PolarHBondContact O-N 3.14Å; E43-Q45 VanDerWaalsContact C-N 3.34Å; E43-Q45 PolarHBondContact O-N 2.95Å; Q45-W48 PolarHBondContact O-N 3.37Å; Q45-M49 WeakPolarHBondContact O-CB 3.36Å; Q45-M49 PolarHBondContact O-N 2.71Å
46R95.2Very high94.5Very high88 Ų8881.3 Ų81.333%0.33238%0.378SS..Hα-helixtrans-59.6-48.6173.8-173.5178.665.9-176.7-0.8111.7I39 L42 E43 M49 Y50I39-R46 HydrophobicContact CB-CB 4.01Å; I39-R46 HydrophobicContact CB-CG 4.5Å; I39-R46 HydrophobicContact CD1-CG 4.31Å; L42-R46 PolarHBondContact O-N 2.87Å; E43-R46 WeakPolarHBondContact O-CB 3.5Å; E43-R46 PolarHBondContact O-N 2.78Å; E43-R46 IonicContact OE1-NH2 3.36Å; E43-R46 PolarHBondContact OE1-NH2 3.34Å; R46-M49 WeakPolarHBondContact O-CB 3.48Å; R46-M49 PolarHBondContact O-N 3.49Å; R46-Y50 HydrophobicContact CG-CD2 4.46Å; R46-Y50 HydrophobicContact CG-CE1 4.28Å; R46-Y50 HydrophobicContact CG-CE2 3.82Å; R46-Y50 PolarHBondContact O-N 3.38Å
47L95.6Very high94.3Very high64 Ų6481 Ų8134%0.33538%0.375SS..Hα-helixtrans-68.4-38.6179.8-70.3177.3000111.6E43 E44 M49 Y50 R51E43-L47 HydrophobicContact CG-CD1 3.93Å; E43-L47 HydrophobicContact CG-CG 4.22Å; E43-L47 WeakPolarHBondContact O-CB 3.25Å; E43-L47 WeakPolarHBondContact O-CG 3.39Å; E43-L47 PolarHBondContact O-N 3.18Å; E44-L47 PolarHBondContact O-N 2.63Å; L47-M49 VanDerWaalsContact C-N 3.35Å; L47-Y50 PolarHBondContact O-N 3.41Å; L47-R51 WeakPolarHBondContact O-CB 3.48Å; L47-R51 VanDerWaalsContact O-CG 3.25Å; L47-R51 WeakPolarHBondContact O-CG 3.43Å; L47-R51 PolarHBondContact O-N 3.48Å
48W96.3Very high94.1Very high67 Ų6784.3 Ų84.325%0.25439%0.389SS..Hα-helixtrans-58.5-48.6172.9-173.899.6000110.5Y6 E44 Q45 Y50 R51 N52 F70 D73Y6-W48 HydrophobicContact CE1-CE3 4.19Å; Y6-W48 HydrophobicContact CE2-CE3 4.21Å; Y6-W48 AromaticContact CE2-CZ3 3.75Å; Y6-W48 HydrophobicContact CE2-CZ3 3.75Å; Y6-W48 AromaticContact CZ-CE3 3.56Å; Y6-W48 AromaticContact CZ-CZ3 3.54Å; Y6-W48 WeakPolarHBondContact OH-CZ3 3.46Å; E44-W48 VanDerWaalsContact O-CB 3.31Å; E44-W48 WeakPolarHBondContact O-CB 3.36Å; E44-W48 PolarHBondContact O-N 3Å; Q45-W48 PolarHBondContact O-N 3.37Å; W48-Y50 PolarHBondContact O-N 3.35Å; W48-R51 PolarHBondContact O-N 3.05Å; W48-N52 HydrophobicContact CE3-CB 4.37Å; W48-N52 HydrophobicContact CH2-CB 4.14Å; W48-N52 HydrophobicContact CZ2-CB 4.39Å; W48-N52 HydrophobicContact CZ3-CB 4.12Å; W48-N52 PolarHBondContact NE1-ND2 3.44Å; W48-N52 PolarHBondContact O-N 3.13Å; W48-N52 PolarHBondContact O-ND2 3.2Å; W48-F70 AromaticContact CH2-CD1 3.96Å; W48-F70 HydrophobicContact CH2-CD1 3.96Å; W48-F70 HydrophobicContact CH2-CE1 4.13Å; W48-F70 HydrophobicContact CH2-CG 4.44Å; W48-F70 AromaticContact CZ3-CD1 3.98Å; W48-F70 HydrophobicContact CZ3-CD1 3.98Å; W48-F70 HydrophobicContact CZ3-CD2 4.41Å; W48-F70 AromaticContact CZ3-CE1 3.9Å; W48-F70 HydrophobicContact CZ3-CE1 3.9Å; W48-F70 HydrophobicContact CZ3-CE2 4.33Å; W48-F70 HydrophobicContact CZ3-CG 4.24Å; W48-F70 HydrophobicContact CZ3-CZ 4.06Å; W48-D73 HydrophobicContact CH2-CB 4.47Å; W48-D73 HydrophobicContact CZ2-CB 4.18Å; W48-D73 WeakPolarHBondContact CZ2-OD1 3.39Å
49M96.3Very high93.7Very high0 Ų084.5 Ų84.50%039%0.393CS..Hα-helixtrans-56.4-49176.9-174.9-166.37400110.9Y6 I39 Q45 R46 L47 R51 N52 I53 Q68 F70Y6-M49 WeakPolarHBondContact CB-SD 3.4Å; Y6-M49 HydrophobicContact CD1-CB 3.93Å; Y6-M49 HydrophobicContact CD1-CG 4.15Å; Y6-M49 HydrophobicContact CD1-SD 4.2Å; Y6-M49 HydrophobicContact CD2-CG 4.28Å; Y6-M49 HydrophobicContact CE1-CB 4.18Å; Y6-M49 HydrophobicContact CG-CB 4.2Å; Y6-M49 HydrophobicContact CG-CG 3.91Å; Y6-M49 HydrophobicContact CG-SD 3.84Å; I39-M49 HydrophobicContact CD1-CE 3.59Å; I39-M49 HydrophobicContact CD1-SD 3.85Å; Q45-M49 WeakPolarHBondContact O-CB 3.36Å; Q45-M49 PolarHBondContact O-N 2.71Å; R46-M49 WeakPolarHBondContact O-CB 3.48Å; R46-M49 PolarHBondContact O-N 3.49Å; L47-M49 VanDerWaalsContact C-N 3.35Å; M49-R51 VanDerWaalsContact C-N 3.31Å; M49-R51 PolarHBondContact O-N 3.11Å; M49-N52 PolarHBondContact O-N 3.34Å; M49-I53 HydrophobicContact CG-CD1 4.15Å; M49-I53 WeakPolarHBondContact O-CD1 3.37Å; M49-I53 VanDerWaalsContact O-CG1 3.27Å; M49-I53 WeakPolarHBondContact O-CG1 3.49Å; M49-I53 PolarHBondContact O-N 2.94Å; M49-Q68 HydrophobicContact CE-CG 4.22Å; M49-Q68 HydrophobicContact CG-CB 4.03Å; M49-Q68 HydrophobicContact CG-CG 4.25Å; M49-Q68 HydrophobicContact SD-CB 3.68Å; M49-Q68 HydrophobicContact SD-CG 3.63Å; M49-F70 HydrophobicContact CG-CE2 4.06Å
50Y95.4Very high93.2Very high46 Ų4693.8 Ų93.818%0.1844%0.437CS..Hα-helixtrans-62.4-33.9179.3-66.2-12.7000114.2R46 L47 W48 K58 N63 P64R46-Y50 HydrophobicContact CG-CD2 4.46Å; R46-Y50 HydrophobicContact CG-CE1 4.28Å; R46-Y50 HydrophobicContact CG-CE2 3.82Å; R46-Y50 PolarHBondContact O-N 3.38Å; L47-Y50 PolarHBondContact O-N 3.41Å; W48-Y50 PolarHBondContact O-N 3.35Å; Y50-K58 WeakPolarHBondContact O-CE 3.28Å; Y50-K58 PolarHBondContact O-NZ 3.09Å; Y50-N63 HydrophobicContact CE1-CB 4.13Å; Y50-N63 HydrophobicContact CE2-CB 3.96Å; Y50-N63 WeakPolarHBondContact OH-CB 3.37Å; Y50-P64 HydrophobicContact CD1-CB 4.16Å; Y50-P64 HydrophobicContact CD1-CG 3.89Å; Y50-P64 HydrophobicContact CE1-CB 4.21Å; Y50-P64 HydrophobicContact CE1-CG 4.28Å; Y50-P64 WeakPolarHBondContact CE1-O 3.41Å
51R95.4Very high93.1Very high191 Ų191101.4 Ų101.472%0.72147%0.467SS*.Hα-helixtrans-74.2-37.5179.9-73.4171.8-176.2-178.52.8111.9L47 W48 M49L47-R51 WeakPolarHBondContact O-CB 3.48Å; L47-R51 VanDerWaalsContact O-CG 3.25Å; L47-R51 WeakPolarHBondContact O-CG 3.43Å; L47-R51 PolarHBondContact O-N 3.48Å; W48-R51 PolarHBondContact O-N 3.05Å; M49-R51 VanDerWaalsContact C-N 3.31Å; M49-R51 PolarHBondContact O-N 3.11Å
52N96.3Very high93.1Very high65 Ų6596.5 Ų96.535%0.34846%0.459SS..Hα-helixtrans-89.5-3.6-174.2-68.5-78.2000114.3W48 M49 F70W48-N52 HydrophobicContact CE3-CB 4.37Å; W48-N52 HydrophobicContact CH2-CB 4.14Å; W48-N52 HydrophobicContact CZ2-CB 4.39Å; W48-N52 HydrophobicContact CZ3-CB 4.12Å; W48-N52 PolarHBondContact NE1-ND2 3.44Å; W48-N52 PolarHBondContact O-N 3.13Å; W48-N52 PolarHBondContact O-ND2 3.2Å; M49-N52 PolarHBondContact O-N 3.34Å; N52-F70 HydrophobicContact CB-CE1 3.73Å; N52-F70 HydrophobicContact CB-CZ 4.15Å
53I95.9Very high93.1Very high4 Ų497.1 Ų97.12%0.02146%0.463CS..SBendtrans-74.5128.7167.6-67.8162.9000109.4M49 K57 K58 P64 Q68 F70 Y75M49-I53 HydrophobicContact CG-CD1 4.15Å; M49-I53 WeakPolarHBondContact O-CD1 3.37Å; M49-I53 VanDerWaalsContact O-CG1 3.27Å; M49-I53 WeakPolarHBondContact O-CG1 3.49Å; M49-I53 PolarHBondContact O-N 2.94Å; I53-K57 HydrophobicContact CG2-CB 3.99Å; I53-K58 HydrophobicContact CB-CG 4.46Å; I53-K58 HydrophobicContact CG2-CG 3.86Å; I53-K58 WeakPolarHBondContact O-CE 3.49Å; I53-P64 HydrophobicContact CD1-CB 3.46Å; I53-P64 VanDerWaalsContact CD1-CB 3.46Å; I53-P64 HydrophobicContact CD1-CG 3.64Å; I53-Q68 HydrophobicContact CD1-CG 4.02Å; I53-F70 HydrophobicContact CG1-CZ 4.03Å; I53-Y75 HydrophobicContact CG1-CD2 4.1Å; I53-Y75 HydrophobicContact CG1-CE2 3.75Å; I53-Y75 HydrophobicContact CG2-CE1 4.44Å
54P95Very high93.1Very high49 Ų4992 Ų9232%0.31844%0.441SS..  trans-56.3145.8174.6-24.133.8000112.1E56 K57 K58 Y75P54-E56 VanDerWaalsContact CB-OE2 3.24Å; P54-E56 WeakPolarHBondContact CB-OE2 3.43Å; P54-E56 PolarHBondContact O-N 2.84Å; P54-K57 HydrophobicContact CB-CB 4.49Å; P54-K57 PolarHBondContact O-N 3.42Å; P54-K58 PolarHBondContact O-N 3.36Å; P54-Y75 HydrophobicContact CG-CD1 3.7Å; P54-Y75 HydrophobicContact CG-CE1 4.44Å; P54-Y75 HydrophobicContact CG-CG 4.27Å
55K91.8Very high93Very high173 Ų17390.1 Ų90.175%0.75244%0.435SS*.G310 helixtrans-60.5-33.5-174.3-71.3-178.1-179.6176.90112.3K57 K58K55-K57 PolarHBondContact O-N 3.35Å; K55-K58 PolarHBondContact O-N 2.88Å
56E92.4Very high93Very high159 Ų15987.7 Ų87.774%0.74343%0.425SS*.G310 helixtrans-70.9-20.8-178.7-48.670.4-143.900111.9P54P54-E56 VanDerWaalsContact CB-OE2 3.24Å; P54-E56 WeakPolarHBondContact CB-OE2 3.43Å; P54-E56 PolarHBondContact O-N 2.84Å
57K92.1Very high93.2Very high89 Ų8983.6 Ų83.639%0.38741%0.409SS..G310 helixtrans-100.2-2178.6-70.4-72.9-170.9168.20112.9I53 P54 K55 Y75 D81I53-K57 HydrophobicContact CG2-CB 3.99Å; P54-K57 HydrophobicContact CB-CB 4.49Å; P54-K57 PolarHBondContact O-N 3.42Å; K55-K57 PolarHBondContact O-N 3.35Å; K57-Y75 HydrophobicContact CB-CE1 3.89Å; K57-Y75 HydrophobicContact CD-CE1 4.5Å; K57-Y75 HydrophobicContact CG-CE1 3.92Å; K57-D81 IonicContact NZ-OD1 3.18Å; K57-D81 PolarHBondContact NZ-OD1 3.01Å; K57-D81 IonicContact NZ-OD2 2.63Å; K57-D81 PolarHBondContact NZ-OD2 3.23Å
58K91.3Very high93.3Very high81 Ų8181 Ų8135%0.35240%0.395SS..SBendtrans-77.3142.9174-66.7-173.8-170-168.10109.8Y50 I53 P54 K55Y50-K58 WeakPolarHBondContact O-CE 3.28Å; Y50-K58 PolarHBondContact O-NZ 3.09Å; I53-K58 HydrophobicContact CB-CG 4.46Å; I53-K58 HydrophobicContact CG2-CG 3.86Å; I53-K58 WeakPolarHBondContact O-CE 3.49Å; P54-K58 PolarHBondContact O-N 3.36Å; K55-K58 PolarHBondContact O-N 2.88Å
59P89.4Confident93.4Very high59 Ų5977.8 Ų77.838%0.38338%0.383SS..  trans-64.1145.3174.528.3-34.3000110.5K61P59-K61 PolarHBondContact O-N 3.26Å
60E84.4Confident93.4Very high203 Ų20377.8 Ų77.895%0.94938%0.383SS*.SBendtrans-61.4-27.9176.6-65.1-171.9133.200112.5
61K87.7Confident93.5Very high192 Ų19276 Ų7684%0.83538%0.377SS*.SBendtrans-136.1135.7177.4-67.3-176.5-178.3176.10110.9P59P59-K61 PolarHBondContact O-N 3.26Å
62G88.5Confident93.4Very high65 Ų6570.5 Ų70.567%0.6736%0.359SS*.SBendtrans83.4-163.717700000113.3
63N90.8Very high93.3Very high105 Ų10572.4 Ų72.456%0.56137%0.369SS*.PPolyproline II helixtrans-101.2152.1-178.3-65.4-37.9000110.8Y50 L65Y50-N63 HydrophobicContact CE1-CB 4.13Å; Y50-N63 HydrophobicContact CE2-CB 3.96Å; Y50-N63 WeakPolarHBondContact OH-CB 3.37Å; N63-L65 PolarHBondContact O-N 2.94Å
64P93.1Very high93.3Very high12 Ų1278.3 Ų78.38%0.07839%0.392CS..PPolyproline II helixtrans-53.1135.1170-23.432.2000111.5Y50 I53Y50-P64 HydrophobicContact CD1-CB 4.16Å; Y50-P64 HydrophobicContact CD1-CG 3.89Å; Y50-P64 HydrophobicContact CE1-CB 4.21Å; Y50-P64 HydrophobicContact CE1-CG 4.28Å; Y50-P64 WeakPolarHBondContact CE1-O 3.41Å; I53-P64 HydrophobicContact CD1-CB 3.46Å; I53-P64 VanDerWaalsContact CD1-CB 3.46Å; I53-P64 HydrophobicContact CD1-CG 3.64Å
65L94.9Very high93.4Very high117 Ų11777.5 Ų77.561%0.61338%0.382SS*.PPolyproline II helixtrans-98.6140.4178.9-62.9178.8000110.2V16 N63 Q68V16-L65 HydrophobicContact CG2-CB 4.49Å; V16-L65 HydrophobicContact CG2-CD1 4.47Å; N63-L65 PolarHBondContact O-N 2.94Å; L65-Q68 PolarHBondContact O-NE2 3.3Å
66P96Very high93.6Very high13 Ų1370.2 Ų70.28%0.08435%0.353CS..SBendtrans-69157.9171.527.1-30.4000111.8Y6 A8 V16 Q20 I39Y6-P66 WeakPolarHBondContact O-CB 2.89Å; A8-P66 HydrophobicContact CB-CG 3.59Å; V16-P66 HydrophobicContact CG1-CG 3.99Å; V16-P66 WeakPolarHBondContact CG1-O 3.33Å; Q20-P66 VanDerWaalsContact OE1-CG 3.31Å; I39-P66 HydrophobicContact CD1-CG 4.41Å
67P97.6Very high93.9Very high2 Ų262.7 Ų62.71%0.01332%0.318CS..PPolyproline II helixcis-77.31472.232.3-33.8000113.3V5 Y6 H19 Q20 L23 Y79V5-P67 HydrophobicContact CG1-CB 4.33Å; Y6-P67 VanDerWaalsContact O-CA 3.28Å; Y6-P67 WeakPolarHBondContact O-CA 3.26Å; H19-P67 HydrophobicContact CB-CG 4.29Å; Q20-P67 HydrophobicContact CG-CB 4.01Å; Q20-P67 HydrophobicContact CG-CG 4.27Å; L23-P67 HydrophobicContact CD2-CB 3.92Å; L23-P67 HydrophobicContact CD2-CG 4.36Å; P67-Y79 HydrophobicContact CG-CD2 4.21Å; P67-Y79 HydrophobicContact CG-CG 4.46Å
68Q98.1Very high94.1Very high9 Ų960.4 Ų60.44%0.04231%0.31CS..EExtended strand (participates in β ladder)trans-125.7127.4172.3-63.6-68.3-35.100109.1Y6 M49 I53 L65 F70 Y75Y6-Q68 PolarHBondContact N-O 2.89Å; Y6-Q68 PolarHBondContact O-N 3.2Å; Y6-Q68 VanDerWaalsContact O-N 3.14Å; M49-Q68 HydrophobicContact CE-CG 4.22Å; M49-Q68 HydrophobicContact CG-CB 4.03Å; M49-Q68 HydrophobicContact CG-CG 4.25Å; M49-Q68 HydrophobicContact SD-CB 3.68Å; M49-Q68 HydrophobicContact SD-CG 3.63Å; I53-Q68 HydrophobicContact CD1-CG 4.02Å; L65-Q68 PolarHBondContact O-NE2 3.3Å; Q68-F70 HydrophobicContact CB-CE2 4.15Å; Q68-Y75 VanDerWaalsContact OE1-CZ 3.3Å; Q68-Y75 PolarHBondContact OE1-OH 3.23Å
69I98.3Very high94.4Very high0 Ų058.3 Ų58.30%030%0.3CS..EExtended strand (participates in β ladder)trans-106.6130.1-171.2-54.594.3000110.3I3 L23 C76 G77 D78 F82 F94 L95I3-I69 HydrophobicContact CG2-CG2 3.95Å; L23-I69 HydrophobicContact CD1-CD1 3.87Å; L23-I69 HydrophobicContact CD1-CG1 3.93Å; L23-I69 HydrophobicContact CD2-CD1 4.04Å; L23-I69 HydrophobicContact CD2-CG1 3.69Å; L23-I69 HydrophobicContact CG-CG1 4.47Å; I69-C76 HydrophobicContact CB-CB 4.21Å; I69-C76 HydrophobicContact CG2-CB 3.99Å; I69-C76 WeakPolarHBondContact O-CB 3.19Å; I69-C76 PolarHBondContact O-N 2.79Å; I69-G77 VanDerWaalsContact CD1-O 3.29Å; I69-G77 WeakPolarHBondContact CD1-O 3.35Å; I69-G77 PolarHBondContact N-O 3.45Å; I69-G77 PolarHBondContact O-N 2.93Å; I69-D78 WeakPolarHBondContact CD1-O 3.19Å; I69-F82 HydrophobicContact CD1-CB 4.35Å; I69-F94 HydrophobicContact CB-CE1 4.49Å; I69-F94 HydrophobicContact CB-CZ 4.43Å; I69-F94 HydrophobicContact CD1-CZ 4.34Å; I69-F94 HydrophobicContact CG2-CE1 4.43Å; I69-L95 HydrophobicContact CG2-CD2 3.62Å
70F98Very high94.7Very high0 Ų059.8 Ų59.80%030%0.302CS..EExtended strand (participates in β ladder)trans-126.8148.8173.2-68.2-104.1000110I3 K4 Y6 W48 M49 N52 I53 Q68 R74 Y75I3-F70 CarbonylContact C-O 3.57Å; I3-F70 WeakPolarHBondContact CA-O 3.46Å; K4-F70 HydrophobicContact CB-CB 4.36Å; K4-F70 PolarHBondContact N-O 2.83Å; K4-F70 PolarHBondContact O-N 2.96Å; Y6-F70 AromaticContact CD2-CD2 3.56Å; Y6-F70 HydrophobicContact CD2-CD2 3.56Å; Y6-F70 AromaticContact CD2-CE2 3.87Å; Y6-F70 HydrophobicContact CD2-CE2 3.87Å; Y6-F70 HydrophobicContact CE2-CB 4.48Å; Y6-F70 AromaticContact CE2-CD2 3.52Å; Y6-F70 HydrophobicContact CE2-CD2 3.52Å; Y6-F70 AromaticContact CE2-CE2 3.95Å; Y6-F70 HydrophobicContact CE2-CE2 3.95Å; Y6-F70 HydrophobicContact CE2-CG 4.14Å; W48-F70 AromaticContact CH2-CD1 3.96Å; W48-F70 HydrophobicContact CH2-CD1 3.96Å; W48-F70 HydrophobicContact CH2-CE1 4.13Å; W48-F70 HydrophobicContact CH2-CG 4.44Å; W48-F70 AromaticContact CZ3-CD1 3.98Å; W48-F70 HydrophobicContact CZ3-CD1 3.98Å; W48-F70 HydrophobicContact CZ3-CD2 4.41Å; W48-F70 AromaticContact CZ3-CE1 3.9Å; W48-F70 HydrophobicContact CZ3-CE1 3.9Å; W48-F70 HydrophobicContact CZ3-CE2 4.33Å; W48-F70 HydrophobicContact CZ3-CG 4.24Å; W48-F70 HydrophobicContact CZ3-CZ 4.06Å; M49-F70 HydrophobicContact CG-CE2 4.06Å; N52-F70 HydrophobicContact CB-CE1 3.73Å; N52-F70 HydrophobicContact CB-CZ 4.15Å; I53-F70 HydrophobicContact CG1-CZ 4.03Å; Q68-F70 HydrophobicContact CB-CE2 4.15Å; F70-R74 CarbonylContact C-O 3.55Å; F70-R74 VanDerWaalsContact CA-O 3.26Å; F70-R74 WeakPolarHBondContact CA-O 3.42Å; F70-Y75 HydrophobicContact CD1-CD2 4.17Å; F70-Y75 HydrophobicContact CD2-CD2 4.22Å; F70-Y75 AromaticContact CE1-CD2 3.66Å; F70-Y75 HydrophobicContact CE1-CD2 3.66Å; F70-Y75 HydrophobicContact CE1-CG 4.2Å; F70-Y75 AromaticContact CE2-CD2 3.73Å; F70-Y75 HydrophobicContact CE2-CD2 3.73Å; F70-Y75 HydrophobicContact CE2-CE2 4.16Å; F70-Y75 HydrophobicContact CG-CD2 4.43Å; F70-Y75 AromaticContact CZ-CD2 3.44Å; F70-Y75 HydrophobicContact CZ-CD2 3.44Å; F70-Y75 VanDerWaalsContact CZ-CD2 3.44Å; F70-Y75 HydrophobicContact CZ-CE2 4.14Å; F70-Y75 HydrophobicContact CZ-CG 4.35Å
71N96.5Very high95.3Very high9 Ų951.5 Ų51.55%0.04826%0.264CS..EExtended strand (participates in β ladder)trans-107.8110.1161.6-176.2-13.5000107.5M1 I3 D73 R74 L95M1-N71 WeakPolarHBondContact CE-ND2 3.37Å; I3-N71 HydrophobicContact CD1-CB 3.79Å; N71-D73 PolarHBondContact O-N 3.14Å; N71-R74 PolarHBondContact N-O 2.95Å; N71-R74 WeakPolarHBondContact O-CB 3.3Å; N71-R74 PolarHBondContact O-N 2.98Å; N71-L95 PolarHBondContact ND2-O 2.83Å
72E93.4Very high95.8Very high75 Ų7542.4 Ų42.435%0.3523%0.225SC..THydrogen-bonded Turntrans54.5-104.3-164.9-54.6-66.8168.900110.9M1 V2 K4M1-E72 VanDerWaalsContact C-OE1 3.29Å; M1-E72 WeakPolarHBondContact CA-OE1 3.45Å; M1-E72 PolarHBondContact N-OE1 3.37Å; V2-E72 PolarHBondContact N-OE1 2.9Å; V2-E72 PolarHBondContact O-N 2.78Å; K4-E72 WeakPolarHBondContact CD-O 3.35Å; K4-E72 WeakPolarHBondContact CE-O 3.31Å; K4-E72 PolarHBondContact NZ-O 3.05Å
73D94Very high96.2Very high104 Ų10442.8 Ų42.856%0.55621%0.208SC*.THydrogen-bonded Turntrans-111.9-2.6179.2-59.2-24000112.3K4 W48 N71K4-D73 IonicContact NZ-OD1 2.78Å; K4-D73 PolarHBondContact NZ-OD1 3.38Å; W48-D73 HydrophobicContact CH2-CB 4.47Å; W48-D73 HydrophobicContact CZ2-CB 4.18Å; W48-D73 WeakPolarHBondContact CZ2-OD1 3.39Å; N71-D73 PolarHBondContact O-N 3.14Å
74R95.3Very high96.5Very high129 Ų12942.8 Ų42.849%0.48721%0.205SC..EExtended strand (participates in β ladder)trans-84.8122.5177.7-170.7-170.971.1-151.6-6.8109.8F70 N71 C76 L95F70-R74 CarbonylContact C-O 3.55Å; F70-R74 VanDerWaalsContact CA-O 3.26Å; F70-R74 WeakPolarHBondContact CA-O 3.42Å; N71-R74 PolarHBondContact N-O 2.95Å; N71-R74 WeakPolarHBondContact O-CB 3.3Å; N71-R74 PolarHBondContact O-N 2.98Å; R74-C76 PolarHBondContact O-N 3.49Å; R74-L95 PolarHBondContact NH2-O 3.05Å
75Y97.4Very high96.7Very high31 Ų3142.6 Ų42.612%0.12220%0.204CC..EExtended strand (participates in β ladder)trans-64.3126.9172-173.1-115.5000111.1I53 P54 K57 Q68 F70 G77 D78I53-Y75 HydrophobicContact CG1-CD2 4.1Å; I53-Y75 HydrophobicContact CG1-CE2 3.75Å; I53-Y75 HydrophobicContact CG2-CE1 4.44Å; P54-Y75 HydrophobicContact CG-CD1 3.7Å; P54-Y75 HydrophobicContact CG-CE1 4.44Å; P54-Y75 HydrophobicContact CG-CG 4.27Å; K57-Y75 HydrophobicContact CB-CE1 3.89Å; K57-Y75 HydrophobicContact CD-CE1 4.5Å; K57-Y75 HydrophobicContact CG-CE1 3.92Å; Q68-Y75 VanDerWaalsContact OE1-CZ 3.3Å; Q68-Y75 PolarHBondContact OE1-OH 3.23Å; F70-Y75 HydrophobicContact CD1-CD2 4.17Å; F70-Y75 HydrophobicContact CD2-CD2 4.22Å; F70-Y75 AromaticContact CE1-CD2 3.66Å; F70-Y75 HydrophobicContact CE1-CD2 3.66Å; F70-Y75 HydrophobicContact CE1-CG 4.2Å; F70-Y75 AromaticContact CE2-CD2 3.73Å; F70-Y75 HydrophobicContact CE2-CD2 3.73Å; F70-Y75 HydrophobicContact CE2-CE2 4.16Å; F70-Y75 HydrophobicContact CG-CD2 4.43Å; F70-Y75 AromaticContact CZ-CD2 3.44Å; F70-Y75 HydrophobicContact CZ-CD2 3.44Å; F70-Y75 VanDerWaalsContact CZ-CD2 3.44Å; F70-Y75 HydrophobicContact CZ-CE2 4.14Å; F70-Y75 HydrophobicContact CZ-CG 4.35Å; Y75-G77 VanDerWaalsContact CZ-C 3.49Å; Y75-G77 VanDerWaalsContact CZ-CA 3.49Å; Y75-G77 VanDerWaalsContact OH-C 3.3Å; Y75-D78 PolarHBondContact OH-N 3.24Å
76C97.1Very high96.7Very high21 Ų2141.5 Ų41.514%0.14219%0.194CC..EExtended strand (participates in β ladder)trans-94-48.7174.2-75.60000110.7I69 R74 F94I69-C76 HydrophobicContact CB-CB 4.21Å; I69-C76 HydrophobicContact CG2-CB 3.99Å; I69-C76 WeakPolarHBondContact O-CB 3.19Å; I69-C76 PolarHBondContact O-N 2.79Å; R74-C76 PolarHBondContact O-N 3.49Å; C76-F94 VanDerWaalsContact C-CE2 3.46Å; C76-F94 HydrophobicContact CB-CE1 4.26Å; C76-F94 HydrophobicContact CB-CE2 4.1Å; C76-F94 HydrophobicContact CB-CZ 3.91Å; C76-F94 WeakPolarHBondContact O-CE2 3.34Å; C76-F94 PolarHBondContact SG-O 3.41Å
77G97.6Very high96.7Very high0 Ų046.9 Ų46.90%022%0.218CC..EExtended strand (participates in β ladder)trans160.9-177.4-178.800000112.9I69 Y75 D81I69-G77 VanDerWaalsContact CD1-O 3.29Å; I69-G77 WeakPolarHBondContact CD1-O 3.35Å; I69-G77 PolarHBondContact N-O 3.45Å; I69-G77 PolarHBondContact O-N 2.93Å; Y75-G77 VanDerWaalsContact CZ-C 3.49Å; Y75-G77 VanDerWaalsContact CZ-CA 3.49Å; Y75-G77 VanDerWaalsContact OH-C 3.3Å; G77-D81 WeakPolarHBondContact CA-OD2 3.44Å
78D97.3Very high96.5Very high42 Ų4252.2 Ų52.223%0.22525%0.246CC..EExtended strand (participates in β ladder)trans-94.2-166.617263.923.8000111.6I69 Y75 E80 D81 F82I69-D78 WeakPolarHBondContact CD1-O 3.19Å; Y75-D78 PolarHBondContact OH-N 3.24Å; D78-E80 VanDerWaalsContact C-N 3.35Å; D78-E80 PolarHBondContact OD1-N 3.01Å; D78-D81 PolarHBondContact N-OD2 3Å; D78-D81 PolarHBondContact OD1-N 3.13Å; D78-F82 PolarHBondContact O-N 2.88Å; D78-F82 VanDerWaalsContact O-N 3.14Å
79Y97Very high96.2Very high36 Ų3658.9 Ų58.914%0.14128%0.282CS..Hα-helixtrans-63.3-36.8176.9179.8-98.1000113.4H19 A22 P67 F82 F83H19-Y79 HydrophobicContact CB-CD1 4.03Å; H19-Y79 HydrophobicContact CB-CD2 3.54Å; H19-Y79 HydrophobicContact CB-CE1 4.4Å; H19-Y79 HydrophobicContact CB-CE2 3.9Å; H19-Y79 HydrophobicContact CB-CG 3.6Å; H19-Y79 AromaticContact CE1-CD1 3.76Å; H19-Y79 AromaticContact CE1-CE1 3.48Å; H19-Y79 VanDerWaalsContact CE1-CE1 3.48Å; H19-Y79 WeakPolarHBondContact CE1-CE1 3.42Å; H19-Y79 AromaticContact CG-CD1 3.58Å; H19-Y79 AromaticContact CG-CD2 4Å; H19-Y79 AromaticContact CG-CE1 3.8Å; H19-Y79 AromaticContact CG-CG 3.7Å; H19-Y79 AromaticContact ND1-CD1 3.36Å; H19-Y79 WeakPolarHBondContact ND1-CD1 3.4Å; H19-Y79 AromaticContact ND1-CE1 3.07Å; H19-Y79 WeakPolarHBondContact ND1-CE1 3.32Å; H19-Y79 AromaticContact ND1-CE2 3.81Å; H19-Y79 AromaticContact ND1-CG 3.86Å; H19-Y79 AromaticContact ND1-CZ 3.31Å; H19-Y79 VanDerWaalsContact ND1-CZ 3.31Å; H19-Y79 WeakPolarHBondContact O-CD2 3.44Å; H19-Y79 WeakPolarHBondContact O-CE2 3.29Å; A22-Y79 HydrophobicContact CB-CE2 4.06Å; P67-Y79 HydrophobicContact CG-CD2 4.21Å; P67-Y79 HydrophobicContact CG-CG 4.46Å; Y79-F82 HydrophobicContact CD2-CD1 4.2Å; Y79-F82 HydrophobicContact CE2-CD1 4.18Å; Y79-F82 HydrophobicContact CE2-CE1 4.45Å; Y79-F82 WeakPolarHBondContact O-CB 3.31Å; Y79-F82 PolarHBondContact O-N 2.81Å; Y79-F83 HydrophobicContact CE1-CB 4.22Å; Y79-F83 WeakPolarHBondContact O-CB 3.47Å; Y79-F83 PolarHBondContact O-N 3.06Å
80E96.3Very high96.1Very high90 Ų9062.1 Ų62.142%0.42130%0.302SS..Hα-helixtrans-72.6-39.4-177.1-62.3-47.8144.900111.1D78 F82 F83 Q84D78-E80 VanDerWaalsContact C-N 3.35Å; D78-E80 PolarHBondContact OD1-N 3.01Å; E80-F82 VanDerWaalsContact C-N 3.29Å; E80-F82 PolarHBondContact O-N 3.21Å; E80-F83 PolarHBondContact O-N 3.45Å; E80-Q84 WeakPolarHBondContact O-CG 3.07Å; E80-Q84 PolarHBondContact O-N 2.85Å
81D97.4Very high95.9Very high29 Ų2962.4 Ų62.416%0.15530%0.303CS..Hα-helixtrans-59.2-43.7171.3-68.6-48.5000111.2K57 G77 D78 S85 F94K57-D81 IonicContact NZ-OD1 3.18Å; K57-D81 PolarHBondContact NZ-OD1 3.01Å; K57-D81 IonicContact NZ-OD2 2.63Å; K57-D81 PolarHBondContact NZ-OD2 3.23Å; G77-D81 WeakPolarHBondContact CA-OD2 3.44Å; D78-D81 PolarHBondContact N-OD2 3Å; D78-D81 PolarHBondContact OD1-N 3.13Å; D81-S85 WeakPolarHBondContact O-CB 3.36Å; D81-S85 PolarHBondContact O-N 3.16Å; D81-F94 HydrophobicContact CB-CD2 4.47Å; D81-F94 HydrophobicContact CB-CE2 3.63Å; D81-F94 HydrophobicContact CB-CZ 4.2Å
82F97.6Very high95.7Very high2 Ų264.5 Ų64.51%0.00931%0.312CS..Hα-helixtrans-61.2-46.7174164.3-104000111.7L23 F26 I69 D78 Y79 E80 Q84 S85 K86 V91 F94L23-F82 HydrophobicContact CB-CE1 4.39Å; L23-F82 HydrophobicContact CD1-CB 3.82Å; L23-F82 HydrophobicContact CD1-CD1 3.46Å; L23-F82 VanDerWaalsContact CD1-CD1 3.46Å; L23-F82 HydrophobicContact CD1-CD2 3.47Å; L23-F82 VanDerWaalsContact CD1-CD2 3.47Å; L23-F82 HydrophobicContact CD1-CE1 3.81Å; L23-F82 HydrophobicContact CD1-CE2 3.82Å; L23-F82 HydrophobicContact CD1-CG 3.26Å; L23-F82 HydrophobicContact CD1-CZ 3.97Å; F26-F82 HydrophobicContact CB-CZ 3.75Å; F26-F82 AromaticContact CD1-CE2 3.67Å; F26-F82 HydrophobicContact CD1-CE2 3.67Å; F26-F82 AromaticContact CD1-CZ 3.7Å; F26-F82 HydrophobicContact CD1-CZ 3.7Å; F26-F82 HydrophobicContact CD2-CZ 4.24Å; F26-F82 HydrophobicContact CE1-CE2 4.08Å; F26-F82 HydrophobicContact CE1-CZ 4.41Å; F26-F82 HydrophobicContact CG-CE2 4.09Å; F26-F82 AromaticContact CG-CZ 3.62Å; F26-F82 HydrophobicContact CG-CZ 3.62Å; I69-F82 HydrophobicContact CD1-CB 4.35Å; D78-F82 PolarHBondContact O-N 2.88Å; D78-F82 VanDerWaalsContact O-N 3.14Å; Y79-F82 HydrophobicContact CD2-CD1 4.2Å; Y79-F82 HydrophobicContact CE2-CD1 4.18Å; Y79-F82 HydrophobicContact CE2-CE1 4.45Å; Y79-F82 WeakPolarHBondContact O-CB 3.31Å; Y79-F82 PolarHBondContact O-N 2.81Å; E80-F82 VanDerWaalsContact C-N 3.29Å; E80-F82 PolarHBondContact O-N 3.21Å; F82-Q84 PolarHBondContact O-N 2.89Å; F82-S85 PolarHBondContact O-N 3.44Å; F82-S85 PolarHBondContact O-OG 3.44Å; F82-K86 HydrophobicContact CE1-CD 4.39Å; F82-K86 HydrophobicContact CZ-CD 4.21Å; F82-K86 WeakPolarHBondContact O-CB 3.5Å; F82-K86 PolarHBondContact O-N 3.36Å; F82-V91 HydrophobicContact CD2-CG1 4.18Å; F82-V91 HydrophobicContact CE2-CG1 3.92Å; F82-V91 HydrophobicContact CE2-CG2 4.36Å; F82-F94 HydrophobicContact CB-CE1 3.92Å; F82-F94 HydrophobicContact CB-CZ 4.12Å; F82-F94 HydrophobicContact CD2-CE1 4.31Å
83F96.9Very high95.8Very high73 Ų7364.5 Ų64.532%0.3233%0.325SS..Hα-helixtrans-60-47.8-179.2-177.7-98.9000111.2Y79 E80 S85 K86 E87Y79-F83 HydrophobicContact CE1-CB 4.22Å; Y79-F83 WeakPolarHBondContact O-CB 3.47Å; Y79-F83 PolarHBondContact O-N 3.06Å; E80-F83 PolarHBondContact O-N 3.45Å; F83-S85 VanDerWaalsContact C-N 3.33Å; F83-S85 PolarHBondContact O-N 3.5Å; F83-K86 WeakPolarHBondContact O-CA 3.44Å; F83-K86 WeakPolarHBondContact O-CB 2.83Å; F83-K86 PolarHBondContact O-N 3.4Å; F83-K86 VanDerWaalsContact O-N 3.09Å; F83-E87 HydrophobicContact CD1-CG 4.36Å; F83-E87 HydrophobicContact CE1-CG 3.93Å; F83-E87 WeakPolarHBondContact CE1-OE1 3.47Å; F83-E87 VanDerWaalsContact CE1-OE2 3.31Å; F83-E87 WeakPolarHBondContact CE1-OE2 3.48Å; F83-E87 HydrophobicContact CZ-CG 4.08Å; F83-E87 PolarHBondContact O-N 2.98Å
84Q97.6Very high95.8Very high105 Ų10561.1 Ų61.149%0.49131%0.306SS..Hα-helixtrans-59.9-42.4174.5-69.8175.126.100111.9E80 F82 K86 E87 N88E80-Q84 WeakPolarHBondContact O-CG 3.07Å; E80-Q84 PolarHBondContact O-N 2.85Å; F82-Q84 PolarHBondContact O-N 2.89Å; Q84-K86 VanDerWaalsContact C-N 3.26Å; Q84-K86 PolarHBondContact O-N 3.46Å; Q84-E87 PolarHBondContact O-N 3.04Å; Q84-N88 WeakPolarHBondContact O-CB 3.15Å; Q84-N88 PolarHBondContact O-N 3.39Å; Q84-N88 PolarHBondContact O-ND2 2.61Å; Q84-N88 VanDerWaalsContact O-ND2 3.11Å
85S96.8Very high95.8Very high8 Ų855 Ų556%0.05628%0.283CS..Hα-helixtrans-64-33.2176.4800000112.3D81 F82 F83 N88 N89 T90 V91D81-S85 WeakPolarHBondContact O-CB 3.36Å; D81-S85 PolarHBondContact O-N 3.16Å; F82-S85 PolarHBondContact O-N 3.44Å; F82-S85 PolarHBondContact O-OG 3.44Å; F83-S85 VanDerWaalsContact C-N 3.33Å; F83-S85 PolarHBondContact O-N 3.5Å; S85-N88 CarbonylContact O-C 3.58Å; S85-N88 PolarHBondContact O-N 2.87Å; S85-N89 PolarHBondContact O-N 3.15Å; S85-T90 PolarHBondContact O-N 2.88Å; S85-T90 PolarHBondContact O-OG1 2.98Å; S85-V91 PolarHBondContact O-N 3.22Å
86K94.5Very high95.6Very high94 Ų9454.7 Ų54.741%0.40929%0.288SS..Hα-helixtrans-69.4-45.2175.9-175.8-177.9175.5-1780111.3F26 F82 F83 Q84 N88 N89 V91F26-K86 HydrophobicContact CD2-CD 4.05Å; F26-K86 HydrophobicContact CE2-CD 4.14Å; F26-K86 HydrophobicContact CE2-CG 4.13Å; F82-K86 HydrophobicContact CE1-CD 4.39Å; F82-K86 HydrophobicContact CZ-CD 4.21Å; F82-K86 WeakPolarHBondContact O-CB 3.5Å; F82-K86 PolarHBondContact O-N 3.36Å; F83-K86 WeakPolarHBondContact O-CA 3.44Å; F83-K86 WeakPolarHBondContact O-CB 2.83Å; F83-K86 PolarHBondContact O-N 3.4Å; F83-K86 VanDerWaalsContact O-N 3.09Å; Q84-K86 VanDerWaalsContact C-N 3.26Å; Q84-K86 PolarHBondContact O-N 3.46Å; K86-N88 PolarHBondContact O-N 3.33Å; K86-N89 PolarHBondContact O-N 3.44Å; K86-N89 VanDerWaalsContact O-N 3.13Å; K86-V91 VanDerWaalsContact CA-CG2 3.49Å; K86-V91 HydrophobicContact CB-CG2 3.93Å
87E95.8Very high95.3Very high126 Ų12655.4 Ų55.459%0.58929%0.29SS*.Hα-helixtrans-60.2-36.8174.6-68.8-169.7124.100111.8F83 Q84 N89F83-E87 HydrophobicContact CD1-CG 4.36Å; F83-E87 HydrophobicContact CE1-CG 3.93Å; F83-E87 WeakPolarHBondContact CE1-OE1 3.47Å; F83-E87 VanDerWaalsContact CE1-OE2 3.31Å; F83-E87 WeakPolarHBondContact CE1-OE2 3.48Å; F83-E87 HydrophobicContact CZ-CG 4.08Å; F83-E87 PolarHBondContact O-N 2.98Å; Q84-E87 PolarHBondContact O-N 3.04Å; E87-N89 VanDerWaalsContact C-N 3.34Å
88N94.7Very high94.5Very high114 Ų11459.4 Ų59.461%0.6132%0.319SS*.THydrogen-bonded Turntrans-85.81.3178.5-66.7-34.9000114.2Q84 S85 K86 T90Q84-N88 WeakPolarHBondContact O-CB 3.15Å; Q84-N88 PolarHBondContact O-N 3.39Å; Q84-N88 PolarHBondContact O-ND2 2.61Å; Q84-N88 VanDerWaalsContact O-ND2 3.11Å; S85-N88 CarbonylContact O-C 3.58Å; S85-N88 PolarHBondContact O-N 2.87Å; K86-N88 PolarHBondContact O-N 3.33Å; N88-T90 HydrophobicContact CB-CG2 4.39Å; N88-T90 PolarHBondContact O-N 3.42Å
89N91.8Very high93.1Very high149 Ų14959.2 Ų59.280%0.79732%0.32SS*.THydrogen-bonded Turntrans53.830.7-174-61-73000114.6S85 K86 E87S85-N89 PolarHBondContact O-N 3.15Å; K86-N89 PolarHBondContact O-N 3.44Å; K86-N89 VanDerWaalsContact O-N 3.13Å; E87-N89 VanDerWaalsContact C-N 3.34Å
90T94.8Very high91.4Very high67 Ų6761.5 Ų61.541%0.41134%0.339SS..  trans-109.816.5-17849.70000113.3S85 N88 F92 A93 F94S85-T90 PolarHBondContact O-N 2.88Å; S85-T90 PolarHBondContact O-OG1 2.98Å; N88-T90 HydrophobicContact CB-CG2 4.39Å; N88-T90 PolarHBondContact O-N 3.42Å; T90-F92 VanDerWaalsContact C-N 3.3Å; T90-F92 PolarHBondContact O-N 3.28Å; T90-A93 WeakPolarHBondContact O-CA 3.44Å; T90-A93 WeakPolarHBondContact O-CB 3.29Å; T90-A93 PolarHBondContact O-N 3.37Å; T90-F94 PolarHBondContact O-N 3.07Å
91V94.7Very high89.4Confident6 Ų663.8 Ų63.84%0.03635%0.354CS..Hα-helixtrans-55-41.2-175.6-175.70000113F26 F82 S85 K86 A93 F94 L95F26-V91 HydrophobicContact CD1-CG1 4.46Å; F26-V91 HydrophobicContact CE1-CB 4.16Å; F26-V91 HydrophobicContact CE1-CG1 3.66Å; F26-V91 HydrophobicContact CE1-CG2 4.12Å; F26-V91 HydrophobicContact CZ-CB 4.26Å; F26-V91 HydrophobicContact CZ-CG1 4.25Å; F26-V91 HydrophobicContact CZ-CG2 3.89Å; F82-V91 HydrophobicContact CD2-CG1 4.18Å; F82-V91 HydrophobicContact CE2-CG1 3.92Å; F82-V91 HydrophobicContact CE2-CG2 4.36Å; S85-V91 PolarHBondContact O-N 3.22Å; K86-V91 VanDerWaalsContact CA-CG2 3.49Å; K86-V91 HydrophobicContact CB-CG2 3.93Å; V91-A93 VanDerWaalsContact C-N 3.33Å; V91-A93 PolarHBondContact O-N 3.44Å; V91-F94 WeakPolarHBondContact O-CB 3.44Å; V91-F94 PolarHBondContact O-N 2.53Å; V91-L95 HydrophobicContact CG1-CD1 3.9Å; V91-L95 HydrophobicContact CG1-CG 4.16Å; V91-L95 WeakPolarHBondContact O-CB 3.44Å; V91-L95 VanDerWaalsContact O-CG 3.29Å; V91-L95 WeakPolarHBondContact O-CG 3.27Å; V91-L95 PolarHBondContact O-N 3.33Å
92F92.7Very high87Confident54 Ų5465.8 Ų65.824%0.23737%0.37CS..Hα-helixtrans-61.3-42.6177.5-74.9-92.4000111.5I32 T90 L95 G96 L97 P100I32-F92 HydrophobicContact CD1-CE1 4.23Å; I32-F92 HydrophobicContact CD1-CZ 4.14Å; I32-F92 HydrophobicContact CG1-CE1 4.21Å; I32-F92 HydrophobicContact CG1-CZ 4.31Å; T90-F92 VanDerWaalsContact C-N 3.3Å; T90-F92 PolarHBondContact O-N 3.28Å; F92-L95 CarbonylContact O-C 3.52Å; F92-L95 PolarHBondContact O-N 3.09Å; F92-G96 CarbonylContact O-C 3.41Å; F92-G96 PolarHBondContact O-N 3.37Å; F92-L97 CarbonylContact C-O 3.57Å; F92-L97 HydrophobicContact CD1-CB 4.08Å; F92-L97 HydrophobicContact CD1-CD1 4.33Å; F92-L97 PolarHBondContact O-N 2.94Å; F92-P100 HydrophobicContact CE1-CG 4.3Å; F92-P100 HydrophobicContact CZ-CG 4.23Å
93A93.8Very high84.6Confident74 Ų7473.8 Ų73.861%0.61241%0.405SS*.Hα-helixtrans-68.2-38.7175.900000112.2T90 V91 L95 G96T90-A93 WeakPolarHBondContact O-CA 3.44Å; T90-A93 WeakPolarHBondContact O-CB 3.29Å; T90-A93 PolarHBondContact O-N 3.37Å; V91-A93 VanDerWaalsContact C-N 3.33Å; V91-A93 PolarHBondContact O-N 3.44Å; A93-L95 PolarHBondContact O-N 3.37Å; A93-G96 VanDerWaalsContact O-CA 3.26Å; A93-G96 WeakPolarHBondContact O-CA 2.77Å; A93-G96 PolarHBondContact O-N 3.26Å
94F95.6Very high82.1Confident34 Ų3475.7 Ų75.715%0.14942%0.423CS..Hα-helixtrans-58.5-45.5173.2163.5-102.7000112.1I69 C76 D81 F82 T90 V91 G96I69-F94 HydrophobicContact CB-CE1 4.49Å; I69-F94 HydrophobicContact CB-CZ 4.43Å; I69-F94 HydrophobicContact CD1-CZ 4.34Å; I69-F94 HydrophobicContact CG2-CE1 4.43Å; C76-F94 VanDerWaalsContact C-CE2 3.46Å; C76-F94 HydrophobicContact CB-CE1 4.26Å; C76-F94 HydrophobicContact CB-CE2 4.1Å; C76-F94 HydrophobicContact CB-CZ 3.91Å; C76-F94 WeakPolarHBondContact O-CE2 3.34Å; C76-F94 PolarHBondContact SG-O 3.41Å; D81-F94 HydrophobicContact CB-CD2 4.47Å; D81-F94 HydrophobicContact CB-CE2 3.63Å; D81-F94 HydrophobicContact CB-CZ 4.2Å; F82-F94 HydrophobicContact CB-CE1 3.92Å; F82-F94 HydrophobicContact CB-CZ 4.12Å; F82-F94 HydrophobicContact CD2-CE1 4.31Å; T90-F94 PolarHBondContact O-N 3.07Å; V91-F94 WeakPolarHBondContact O-CB 3.44Å; V91-F94 PolarHBondContact O-N 2.53Å; F94-G96 PolarHBondContact O-N 3.3Å
95L95.3Very high79.7Confident1 Ų177.7 Ų77.71%0.00544%0.437CS..THydrogen-bonded Turntrans-71.7-9.9172.7-62.6177.1000112.1I3 L27 I32 I69 N71 R74 V91 F92 A93 L97I3-L95 HydrophobicContact CD1-CB 3.9Å; I3-L95 HydrophobicContact CD1-CD2 4.25Å; I3-L95 HydrophobicContact CG2-CD2 4.06Å; L27-L95 HydrophobicContact CD2-CD1 3.77Å; I32-L95 HydrophobicContact CD1-CD1 3.95Å; I32-L95 HydrophobicContact CG2-CD1 4.27Å; I69-L95 HydrophobicContact CG2-CD2 3.62Å; N71-L95 PolarHBondContact ND2-O 2.83Å; R74-L95 PolarHBondContact NH2-O 3.05Å; V91-L95 HydrophobicContact CG1-CD1 3.9Å; V91-L95 HydrophobicContact CG1-CG 4.16Å; V91-L95 WeakPolarHBondContact O-CB 3.44Å; V91-L95 VanDerWaalsContact O-CG 3.29Å; V91-L95 WeakPolarHBondContact O-CG 3.27Å; V91-L95 PolarHBondContact O-N 3.33Å; F92-L95 CarbonylContact O-C 3.52Å; F92-L95 PolarHBondContact O-N 3.09Å; A93-L95 PolarHBondContact O-N 3.37Å; L95-L97 HydrophobicContact CB-CD1 3.98Å; L95-L97 HydrophobicContact CB-CG 3.86Å; L95-L97 HydrophobicContact CD1-CD1 4Å; L95-L97 PolarHBondContact O-N 3.42Å
96G92.4Very high77.4Confident23 Ų2385 Ų8524%0.23748%0.475CS..THydrogen-bonded Turntrans57.433.8-171.400000113.7M1 F92 A93 F94M1-G96 WeakPolarHBondContact CE-O 3.22Å; F92-G96 CarbonylContact O-C 3.41Å; F92-G96 PolarHBondContact O-N 3.37Å; A93-G96 VanDerWaalsContact O-CA 3.26Å; A93-G96 WeakPolarHBondContact O-CA 2.77Å; A93-G96 PolarHBondContact O-N 3.26Å; F94-G96 PolarHBondContact O-N 3.3Å
97L90.1Very high75Confident36 Ų3689.7 Ų89.719%0.18850%0.498CS..PPolyproline II helixtrans-87.3145.1168.7-59175.5000109.2M1 I3 I32 F92 L95 S99M1-L97 HydrophobicContact CE-CD2 4.47Å; I3-L97 HydrophobicContact CD1-CD1 4.47Å; I3-L97 HydrophobicContact CD1-CD2 4.13Å; I3-L97 HydrophobicContact CD1-CG 4.31Å; I3-L97 HydrophobicContact CG1-CD1 4.3Å; I3-L97 HydrophobicContact CG1-CD2 4.45Å; I32-L97 HydrophobicContact CG2-CD1 3.75Å; F92-L97 CarbonylContact C-O 3.57Å; F92-L97 HydrophobicContact CD1-CB 4.08Å; F92-L97 HydrophobicContact CD1-CD1 4.33Å; F92-L97 PolarHBondContact O-N 2.94Å; L95-L97 HydrophobicContact CB-CD1 3.98Å; L95-L97 HydrophobicContact CB-CG 3.86Å; L95-L97 HydrophobicContact CD1-CD1 4Å; L95-L97 PolarHBondContact O-N 3.42Å; L97-S99 PolarHBondContact O-N 3.02Å
98S81.9Confident72.3Confident85 Ų8593.5 Ų93.559%0.59454%0.536SS*.PPolyproline II helixtrans-63.5127.9166.8-50.50000108.6
99S68.6Low71.2Confident37 Ų3792.5 Ų92.526%0.25953%0.533SS..PPolyproline II helixtrans-62.3143176.690.30000108.8L97 L101 S102L97-S99 PolarHBondContact O-N 3.02Å; S99-L101 PolarHBondContact O-N 3.34Å; S99-L101 VanDerWaalsContact O-N 3.15Å; S99-L101 PolarHBondContact OG-N 3.5Å; S99-S102 PolarHBondContact N-OG 3.14Å; S99-S102 VanDerWaalsContact O-CB 3.22Å; S99-S102 WeakPolarHBondContact O-CB 3.48Å; S99-S102 PolarHBondContact O-N 3.37Å; S99-S102 PolarHBondContact O-OG 3.17Å; S99-S102 PolarHBondContact OG-N 3.18Å; S99-S102 PolarHBondContact OG-OG 3.46Å
100P61.3Low70.1Confident84 Ų8489.5 Ų89.555%0.54552%0.519SS..G310 helixtrans-59.4-24.2174.916.5-25.7000112.8F92 S102F92-P100 HydrophobicContact CE1-CG 4.3Å; F92-P100 HydrophobicContact CZ-CG 4.23Å; P100-S102 VanDerWaalsContact C-N 3.26Å; P100-S102 PolarHBondContact O-N 3.4Å
101L54.2Low68.7Low138 Ų13890.8 Ų90.872%0.72353%0.525SS*.G310 helixtrans-71.4-15.8172.4-77.7122000113.8S99 K103S99-L101 PolarHBondContact O-N 3.34Å; S99-L101 VanDerWaalsContact O-N 3.15Å; S99-L101 PolarHBondContact OG-N 3.5Å; L101-K103 PolarHBondContact O-N 3.42Å
102S47Very low67.2Low72 Ų7295.8 Ų95.850%0.50355%0.553SS.*G310 helixtrans-76.5-8.5-180-43.50000113.2S99 P100S99-S102 PolarHBondContact N-OG 3.14Å; S99-S102 VanDerWaalsContact O-CB 3.22Å; S99-S102 WeakPolarHBondContact O-CB 3.48Å; S99-S102 PolarHBondContact O-N 3.37Å; S99-S102 PolarHBondContact O-OG 3.17Å; S99-S102 PolarHBondContact OG-N 3.18Å; S99-S102 PolarHBondContact OG-OG 3.46Å; P100-S102 VanDerWaalsContact C-N 3.26Å; P100-S102 PolarHBondContact O-N 3.4Å
103K46.3Very low65.6Low170 Ų17098.4 Ų98.474%0.73957%0.573SS**G310 helixtrans-100.8-1.6-174.9-70-173.2178.51760114L101L101-K103 PolarHBondContact O-N 3.42Å
104T44.3Very low63.7Low113 Ų113100 Ų10069%0.69357%0.571SS**SBendtrans-97.9-2.9-174.6-350000114.2
105D46.9Very low61.5Low146 Ų146104.7 Ų104.778%0.78160%0.601SS**SBendtrans-116.427.7-175.6-68.7-63.7000114.7
106L49.9Very low58.9Low163 Ų163112.7 Ų112.785%0.85365%0.647SS**SBendtrans-141.313.8178.1-101.6144.3000116
107E42.5Very low56.1Low192 Ų192120.2 Ų120.290%0.89768%0.681SS**  trans-116.577.8163.1-69-169.3105.300109.4
108C39.7Very low53Low206 Ų206127.8 Ų127.8100%1.39273%0.725SS**  trans-119.30156.2-94.40000107.9

Retrieved 108 of 108 residues in 26.8 ms (Link to these results)

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