A0A3B3UBU2_9TELE Loading...

SH3 domain-binding glutamic acid-rich-like protein

Appears to function as an adapter protein that bridges proteins together or proteins with mRNAs. May function as a ubiquitin ligase-substrate adapter. Additionally, associates with translating cytoplasmic ribosomes and may promote the expression of specific mRNAs.

AlphaFold DB , UniProt , Accession A0A3B3UBU2, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 115 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
1M77.3Confident94.9Very high158 Ų15844.2 Ų44.278%0.77825%0.254SS*.  0111.60-65.5-171.817300108.1E72 L97M1-E72 WeakPolarHBondContact CA-OE1 3.31Å; M1-E72 PolarHBondContact N-OE1 3.15Å; M1-L97 HydrophobicContact CB-CD2 4.2Å; M1-L97 HydrophobicContact SD-CD2 3.94Å
2V90.8Very high94.9Very high65 Ų6547.4 Ų47.439%0.39430%0.304SS..  trans-129.6123.6175.3178.80000107.3E35 E72V2-E35 HydrophobicContact CG1-CB 4.45Å; V2-E72 PolarHBondContact O-N 3.47Å
3I98.2Very high95.1Very high2 Ų247.3 Ų47.31%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-76127.5175-58.9-53000108.4V5 L27 I32 Y34 E35 I69 F70 N71 L95 L97I3-V5 HydrophobicContact CG2-CG2 4.19Å; I3-L27 HydrophobicContact CG2-CD1 4.06Å; I3-I32 HydrophobicContact CG1-CG2 3.94Å; I3-Y34 CarbonylContact O-C 3.42Å; I3-Y34 WeakPolarHBondContact O-CA 3.42Å; I3-Y34 VanDerWaalsContact O-CB 3.28Å; I3-Y34 WeakPolarHBondContact O-CB 3.08Å; I3-E35 PolarHBondContact O-N 3.08Å; I3-I69 HydrophobicContact CG2-CG2 3.98Å; I3-F70 CarbonylContact C-O 3.55Å; I3-F70 WeakPolarHBondContact CA-O 3.4Å; I3-N71 HydrophobicContact CD1-CB 3.81Å; I3-L95 HydrophobicContact CD1-CB 3.95Å; I3-L95 HydrophobicContact CD1-CD2 4.21Å; I3-L95 HydrophobicContact CG2-CD2 4.16Å; I3-L97 HydrophobicContact CD1-CD1 4.17Å; I3-L97 HydrophobicContact CD1-CD2 4.32Å; I3-L97 HydrophobicContact CD1-CG 4.28Å; I3-L97 HydrophobicContact CG1-CD1 4.15Å
4K98.5Very high95.3Very high52 Ų5250.9 Ų50.923%0.22633%0.326CS..EExtended strand (participates in β ladder)trans-108.6124.6174.3-65.4-176.5179.7174.20108.8Y6 E35 F70K4-Y6 HydrophobicContact CB-CE2 4.19Å; K4-E35 HydrophobicContact CG-CB 4.39Å; K4-F70 HydrophobicContact CB-CB 4.38Å; K4-F70 PolarHBondContact N-O 3.4Å; K4-F70 PolarHBondContact O-N 2.87Å
5V98.6Very high95.4Very high0 Ų052 Ų520%034%0.336CS..EExtended strand (participates in β ladder)trans-111.1107.8175.8-169.80000107.9I3 I7 V23 M24 L27 Y34 E35 C37 P67I3-V5 HydrophobicContact CG2-CG2 4.19Å; V5-I7 HydrophobicContact CB-CG2 4.48Å; V5-I7 HydrophobicContact CG1-CG2 3.78Å; V5-I7 PolarHBondContact O-N 2.81Å; V5-V23 HydrophobicContact CG1-CG1 3.99Å; V5-V23 HydrophobicContact CG2-CG1 4.24Å; V5-M24 HydrophobicContact CG1-CG 4.44Å; V5-L27 HydrophobicContact CG2-CD1 3.51Å; V5-Y34 HydrophobicContact CG2-CD2 4.02Å; V5-Y34 HydrophobicContact CG2-CG 4.46Å; V5-E35 PolarHBondContact N-O 2.91Å; V5-C37 PolarHBondContact O-N 3.31Å; V5-P67 HydrophobicContact CG1-CB 4.2Å
6Y98.7Very high95.6Very high7 Ų750 Ų503%0.02732%0.321CS..EExtended strand (participates in β ladder)trans-78119.6173.8-72.6-93.6000109.5K4 C37 I39 N45 W48 M49 P66 P67 Q68 F70K4-Y6 HydrophobicContact CB-CE2 4.19Å; Y6-C37 WeakPolarHBondContact CA-O 3.35Å; Y6-C37 HydrophobicContact CD1-CB 3.41Å; Y6-C37 VanDerWaalsContact CD1-CB 3.41Å; Y6-C37 HydrophobicContact CD2-CB 4.26Å; Y6-C37 HydrophobicContact CE1-CB 3.43Å; Y6-C37 VanDerWaalsContact CE1-CB 3.43Å; Y6-C37 HydrophobicContact CE2-CB 4.27Å; Y6-C37 HydrophobicContact CG-CB 3.85Å; Y6-I39 HydrophobicContact CD1-CG2 3.78Å; Y6-I39 HydrophobicContact CG-CG2 4.47Å; Y6-N45 HydrophobicContact CD1-CB 4.2Å; Y6-N45 HydrophobicContact CE1-CB 3.93Å; Y6-N45 WeakPolarHBondContact CE1-O 3.34Å; Y6-W48 HydrophobicContact CE1-CE3 4.08Å; Y6-W48 AromaticContact CE2-CE3 3.72Å; Y6-W48 HydrophobicContact CE2-CE3 3.72Å; Y6-W48 AromaticContact CE2-CZ3 3.5Å; Y6-W48 HydrophobicContact CE2-CZ3 3.5Å; Y6-W48 AromaticContact CZ-CE3 3.29Å; Y6-W48 AromaticContact CZ-CZ3 3.58Å; Y6-W48 VanDerWaalsContact OH-CZ3 3.23Å; Y6-W48 WeakPolarHBondContact OH-CZ3 3.49Å; Y6-M49 HydrophobicContact CD1-CB 3.65Å; Y6-M49 HydrophobicContact CD1-CG 4.1Å; Y6-M49 HydrophobicContact CD2-CB 4.49Å; Y6-M49 HydrophobicContact CD2-CG 4.34Å; Y6-M49 HydrophobicContact CE1-CB 4.07Å; Y6-M49 HydrophobicContact CG-CB 3.88Å; Y6-M49 HydrophobicContact CG-CG 3.8Å; Y6-M49 HydrophobicContact CG-SD 4.25Å; Y6-P66 VanDerWaalsContact O-CB 3.31Å; Y6-P66 WeakPolarHBondContact O-CB 3.28Å; Y6-P67 VanDerWaalsContact O-CA 3.31Å; Y6-P67 WeakPolarHBondContact O-CA 3.37Å; Y6-Q68 PolarHBondContact N-O 3.3Å; Y6-Q68 PolarHBondContact O-N 2.91Å; Y6-Q68 VanDerWaalsContact O-N 3.14Å; Y6-F70 AromaticContact CD2-CD2 3.59Å; Y6-F70 HydrophobicContact CD2-CD2 3.59Å; Y6-F70 AromaticContact CD2-CE2 3.78Å; Y6-F70 HydrophobicContact CD2-CE2 3.78Å; Y6-F70 AromaticContact CE2-CD2 3.68Å; Y6-F70 HydrophobicContact CE2-CD2 3.68Å; Y6-F70 AromaticContact CE2-CE2 4Å; Y6-F70 HydrophobicContact CE2-CE2 4Å; Y6-F70 HydrophobicContact CE2-CG 4.34Å
7I98.6Very high95.7Very high3 Ų352.4 Ų52.42%0.01533%0.325CS..EExtended strand (participates in β ladder)trans-125.5163.2-175.664169.5000110.4V5 T9 Q20 M24 E36 C37 D38 I39V5-I7 HydrophobicContact CB-CG2 4.48Å; V5-I7 HydrophobicContact CG1-CG2 3.78Å; V5-I7 PolarHBondContact O-N 2.81Å; I7-T9 HydrophobicContact CD1-CG2 3.81Å; I7-T9 HydrophobicContact CG1-CG2 4.38Å; I7-Q20 HydrophobicContact CB-CG 4.11Å; I7-Q20 HydrophobicContact CG2-CB 4.14Å; I7-Q20 HydrophobicContact CG2-CG 3.91Å; I7-M24 HydrophobicContact CD1-SD 4.07Å; I7-M24 HydrophobicContact CG2-SD 3.99Å; I7-E36 HydrophobicContact CD1-CB 4.03Å; I7-E36 HydrophobicContact CD1-CG 4.27Å; I7-E36 WeakPolarHBondContact CD1-OE2 3.44Å; I7-C37 PolarHBondContact N-O 3.32Å; I7-C37 VanDerWaalsContact N-O 3.15Å; I7-D38 HydrophobicContact CG1-CB 4.34Å; I7-D38 CarbonylContact O-C 3.53Å; I7-D38 WeakPolarHBondContact O-CA 3.32Å; I7-I39 WeakPolarHBondContact O-CG1 3.46Å; I7-I39 PolarHBondContact O-N 3.45Å
8A98.2Very high95.9Very high12 Ų1257.3 Ų57.310%0.09934%0.341CS..  trans-117.5103.7163.700000109.2S10 S11 Q20 D38 I39 A40 P66A8-S10 VanDerWaalsContact C-N 3.33Å; A8-S10 PolarHBondContact O-N 2.79Å; A8-S11 WeakPolarHBondContact O-CB 3.42Å; A8-S11 PolarHBondContact O-N 3.46Å; A8-Q20 PolarHBondContact O-NE2 3.1Å; A8-Q20 VanDerWaalsContact O-NE2 3.16Å; A8-Q20 PolarHBondContact O-OE1 2.95Å; A8-D38 WeakPolarHBondContact CA-OD1 3.39Å; A8-I39 HydrophobicContact CB-CD1 4.41Å; A8-I39 HydrophobicContact CB-CG1 3.99Å; A8-A40 HydrophobicContact CB-CB 4.17Å; A8-P66 HydrophobicContact CB-CG 3.7Å
9T96Very high96Very high79 Ų7956.8 Ų56.849%0.48534%0.335SS..THydrogen-bonded Turntrans-63.6-39.9-178.159.10000111.8I7 S11 D38I7-T9 HydrophobicContact CD1-CG2 3.81Å; I7-T9 HydrophobicContact CG1-CG2 4.38Å; T9-S11 VanDerWaalsContact C-N 3.34Å; T9-S11 PolarHBondContact O-N 2.81Å; T9-D38 WeakPolarHBondContact CB-OD2 3.45Å; T9-D38 HydrophobicContact CG2-CB 4.06Å; T9-D38 VanDerWaalsContact CG2-CG 3.46Å; T9-D38 VanDerWaalsContact CG2-OD2 3.25Å; T9-D38 WeakPolarHBondContact CG2-OD2 3.46Å; T9-D38 PolarHBondContact N-OD1 2.87Å; T9-D38 PolarHBondContact OG1-OD1 2.87Å; T9-D38 PolarHBondContact OG1-OD2 2.94Å
10S94.9Very high96.2Very high90 Ų9054.5 Ų54.563%0.62932%0.321SS*.THydrogen-bonded Turntrans-94.428.8178.877.40000113.7A8 A40A8-S10 VanDerWaalsContact C-N 3.33Å; A8-S10 PolarHBondContact O-N 2.79Å; S10-A40 WeakPolarHBondContact OG-CB 2.81Å
11S93.7Very high96.3Very high18 Ų1858.1 Ų58.113%0.12634%0.335CS..  trans-58.4140.4176.8-177.50000111.8A8 T9 S13 K17A8-S11 WeakPolarHBondContact O-CB 3.42Å; A8-S11 PolarHBondContact O-N 3.46Å; T9-S11 VanDerWaalsContact C-N 3.34Å; T9-S11 PolarHBondContact O-N 2.81Å; S11-S13 VanDerWaalsContact C-N 3.33Å; S11-S13 PolarHBondContact OG-N 3.46Å; S11-K17 WeakPolarHBondContact O-CE 3.38Å; S11-K17 PolarHBondContact O-NZ 3.15Å
12G95.6Very high97.3Very high83 Ų8352.8 Ų52.886%0.85631%0.31SS*.SBendtrans-79.9-14.9171.400000113.5
13S97.3Very high97.6Very high46 Ų4649.8 Ų49.832%0.32229%0.291SS..  trans-92.6118.9-176.3173.90000111.5S11 S15 I16 K17S11-S13 VanDerWaalsContact C-N 3.33Å; S11-S13 PolarHBondContact OG-N 3.46Å; S13-S15 PolarHBondContact O-N 3.05Å; S13-S15 PolarHBondContact OG-N 3.41Å; S13-I16 PolarHBondContact O-N 2.69Å; S13-I16 PolarHBondContact OG-N 3.33Å; S13-K17 PolarHBondContact O-N 3.39Å; S13-K17 VanDerWaalsContact O-N 3.16Å
14T97.6Very high97.7Very high97 Ų9750.9 Ų50.960%0.59530%0.297SS*.Hα-helixtrans-60.7-34.3173.3-55.90000112K17 K18T14-K17 PolarHBondContact O-N 3.03Å; T14-K18 HydrophobicContact CG2-CD 4.46Å; T14-K18 WeakPolarHBondContact O-CG 3.47Å; T14-K18 PolarHBondContact O-N 2.95Å; T14-K18 VanDerWaalsContact O-N 3.11Å
15S97.6Very high97.6Very high68 Ų6850.1 Ų50.148%0.47630%0.304SS..Hα-helixtrans-62.2-50.3177.5-172.70000110.9S13 K17 K18 Q19S13-S15 PolarHBondContact O-N 3.05Å; S13-S15 PolarHBondContact OG-N 3.41Å; S15-K17 VanDerWaalsContact C-N 3.32Å; S15-K17 PolarHBondContact O-N 2.99Å; S15-K18 PolarHBondContact O-N 3.18Å; S15-K18 VanDerWaalsContact O-N 3.13Å; S15-Q19 WeakPolarHBondContact O-CG 3.34Å; S15-Q19 PolarHBondContact O-N 3.25Å
16I98.1Very high97.6Very high20 Ų2051.6 Ų51.610%0.10331%0.31CS..Hα-helixtrans-58.2-44.3178.5-71.4178.4000110.9S13 K18 Q19 Q20 L65 P66S13-I16 PolarHBondContact O-N 2.69Å; S13-I16 PolarHBondContact OG-N 3.33Å; I16-K18 VanDerWaalsContact C-N 3.34Å; I16-K18 PolarHBondContact O-N 3.48Å; I16-Q19 PolarHBondContact O-N 3.13Å; I16-Q20 HydrophobicContact CG2-CG 4.29Å; I16-Q20 WeakPolarHBondContact O-CB 3.28Å; I16-Q20 VanDerWaalsContact O-CG 3.24Å; I16-Q20 WeakPolarHBondContact O-CG 3.41Å; I16-Q20 PolarHBondContact O-N 3.41Å; I16-L65 HydrophobicContact CD1-CB 4.37Å; I16-L65 HydrophobicContact CD1-CD1 4.36Å; I16-P66 HydrophobicContact CG2-CG 3.98Å
17K98.1Very high97.6Very high90 Ų9051.2 Ų51.239%0.39131%0.309SS..Hα-helixtrans-58.4-45.6177.3-70.8-177-175.1173.40112.2S11 S13 T14 S15 Q20 Q21S11-K17 WeakPolarHBondContact O-CE 3.38Å; S11-K17 PolarHBondContact O-NZ 3.15Å; S13-K17 PolarHBondContact O-N 3.39Å; S13-K17 VanDerWaalsContact O-N 3.16Å; T14-K17 PolarHBondContact O-N 3.03Å; S15-K17 VanDerWaalsContact C-N 3.32Å; S15-K17 PolarHBondContact O-N 2.99Å; K17-Q20 PolarHBondContact O-N 3.45Å; K17-Q21 WeakPolarHBondContact O-CB 3.45Å; K17-Q21 VanDerWaalsContact O-CG 3.31Å; K17-Q21 WeakPolarHBondContact O-CG 3.4Å; K17-Q21 PolarHBondContact O-N 2.9Å
18K98.4Very high97.5Very high141 Ų14153.8 Ų53.861%0.61333%0.331SS*.Hα-helixtrans-64.7-43.6178.9-73.2-178.8175.8-175.20111.9T14 S15 I16 Q21 D22T14-K18 HydrophobicContact CG2-CD 4.46Å; T14-K18 WeakPolarHBondContact O-CG 3.47Å; T14-K18 PolarHBondContact O-N 2.95Å; T14-K18 VanDerWaalsContact O-N 3.11Å; S15-K18 PolarHBondContact O-N 3.18Å; S15-K18 VanDerWaalsContact O-N 3.13Å; I16-K18 VanDerWaalsContact C-N 3.34Å; I16-K18 PolarHBondContact O-N 3.48Å; K18-Q21 PolarHBondContact O-N 3.27Å; K18-D22 WeakPolarHBondContact O-CB 3.47Å; K18-D22 PolarHBondContact O-N 3.03Å
19Q98.6Very high97.4Very high49 Ų4957.1 Ų57.123%0.22936%0.358CS..Hα-helixtrans-61.6-45.8177.5-71.2177.3-23.600111.9S15 I16 Q21 D22 V23 P67 Y79S15-Q19 WeakPolarHBondContact O-CG 3.34Å; S15-Q19 PolarHBondContact O-N 3.25Å; I16-Q19 PolarHBondContact O-N 3.13Å; Q19-Q21 PolarHBondContact O-N 3.5Å; Q19-D22 PolarHBondContact O-N 2.93Å; Q19-V23 WeakPolarHBondContact O-CG2 3.47Å; Q19-V23 PolarHBondContact O-N 3.5Å; Q19-V23 VanDerWaalsContact O-N 3.09Å; Q19-P67 HydrophobicContact CB-CG 4.19Å; Q19-Y79 HydrophobicContact CB-CD1 4.24Å; Q19-Y79 HydrophobicContact CB-CD2 3.53Å; Q19-Y79 HydrophobicContact CB-CE1 4.5Å; Q19-Y79 HydrophobicContact CB-CE2 3.81Å; Q19-Y79 HydrophobicContact CB-CG 3.75Å; Q19-Y79 HydrophobicContact CG-CD1 3.64Å; Q19-Y79 HydrophobicContact CG-CD2 3.83Å; Q19-Y79 HydrophobicContact CG-CE1 3.72Å; Q19-Y79 HydrophobicContact CG-CE2 3.89Å; Q19-Y79 HydrophobicContact CG-CG 3.68Å
20Q98.6Very high97.4Very high9 Ų956.2 Ų56.24%0.04235%0.35CS..Hα-helixtrans-59.3-47.4174.5-69.7169.5-176.100111.4I7 A8 I16 K17 D22 V23 M24 P67I7-Q20 HydrophobicContact CB-CG 4.11Å; I7-Q20 HydrophobicContact CG2-CB 4.14Å; I7-Q20 HydrophobicContact CG2-CG 3.91Å; A8-Q20 PolarHBondContact O-NE2 3.1Å; A8-Q20 VanDerWaalsContact O-NE2 3.16Å; A8-Q20 PolarHBondContact O-OE1 2.95Å; I16-Q20 HydrophobicContact CG2-CG 4.29Å; I16-Q20 WeakPolarHBondContact O-CB 3.28Å; I16-Q20 VanDerWaalsContact O-CG 3.24Å; I16-Q20 WeakPolarHBondContact O-CG 3.41Å; I16-Q20 PolarHBondContact O-N 3.41Å; K17-Q20 PolarHBondContact O-N 3.45Å; Q20-D22 VanDerWaalsContact C-N 3.32Å; Q20-D22 PolarHBondContact O-N 3.19Å; Q20-V23 PolarHBondContact O-N 3.45Å; Q20-M24 HydrophobicContact CB-CE 4.19Å; Q20-M24 WeakPolarHBondContact O-CB 3.35Å; Q20-M24 WeakPolarHBondContact O-CE 3.46Å; Q20-M24 VanDerWaalsContact O-CG 3.29Å; Q20-M24 WeakPolarHBondContact O-CG 3.38Å; Q20-M24 PolarHBondContact O-N 3.28Å; Q20-P67 HydrophobicContact CG-CB 4.02Å; Q20-P67 HydrophobicContact CG-CG 4.32Å
21Q98.4Very high97.4Very high131 Ų13161 Ų6161%0.61236%0.36SS*.Hα-helixtrans-63.3-36179-76.4-177.5-40.300112.7K17 K18 Q19 G25K17-Q21 WeakPolarHBondContact O-CB 3.45Å; K17-Q21 VanDerWaalsContact O-CG 3.31Å; K17-Q21 WeakPolarHBondContact O-CG 3.4Å; K17-Q21 PolarHBondContact O-N 2.9Å; K18-Q21 PolarHBondContact O-N 3.27Å; Q19-Q21 PolarHBondContact O-N 3.5Å; Q21-G25 WeakPolarHBondContact O-CA 3.32Å; Q21-G25 PolarHBondContact O-N 2.95Å
22D98.4Very high97.5Very high47 Ų4761 Ų6125%0.25136%0.358SS..Hα-helixtrans-67.9-44.8177.2-174.147.3000111.6K18 Q19 Q20 G25 F26 Y79 R86K18-D22 WeakPolarHBondContact O-CB 3.47Å; K18-D22 PolarHBondContact O-N 3.03Å; Q19-D22 PolarHBondContact O-N 2.93Å; Q20-D22 VanDerWaalsContact C-N 3.32Å; Q20-D22 PolarHBondContact O-N 3.19Å; D22-G25 PolarHBondContact O-N 3.08Å; D22-F26 WeakPolarHBondContact O-CB 3.25Å; D22-F26 PolarHBondContact O-N 2.86Å; D22-Y79 HydrophobicContact CB-CE2 4.24Å; D22-Y79 PolarHBondContact OD2-OH 3.22Å; D22-R86 VanDerWaalsContact CG-NH1 3.3Å; D22-R86 IonicContact OD1-CZ 3.82Å; D22-R86 IonicContact OD1-NH1 3.93Å; D22-R86 PolarHBondContact OD1-NH1 2.96Å; D22-R86 IonicContact OD2-NH1 2.81Å; D22-R86 PolarHBondContact OD2-NH1 3.3Å
23V98.6Very high97.5Very high1 Ų165.4 Ų65.41%0.00636%0.356CS..Hα-helixtrans-59.4-54.6174.7173.70000110.6V5 Q19 Q20 G25 F26 L27 P67 I69 Y79 F82V5-V23 HydrophobicContact CG1-CG1 3.99Å; V5-V23 HydrophobicContact CG2-CG1 4.24Å; Q19-V23 WeakPolarHBondContact O-CG2 3.47Å; Q19-V23 PolarHBondContact O-N 3.5Å; Q19-V23 VanDerWaalsContact O-N 3.09Å; Q20-V23 PolarHBondContact O-N 3.45Å; V23-G25 VanDerWaalsContact C-N 3.32Å; V23-G25 PolarHBondContact O-N 3.41Å; V23-F26 PolarHBondContact O-N 3.39Å; V23-L27 HydrophobicContact CG1-CD1 4.18Å; V23-L27 WeakPolarHBondContact O-CG 3.46Å; V23-L27 PolarHBondContact O-N 3.43Å; V23-P67 HydrophobicContact CG2-CB 4.36Å; V23-P67 HydrophobicContact CG2-CG 3.93Å; V23-I69 HydrophobicContact CG1-CD1 3.77Å; V23-I69 HydrophobicContact CG1-CG1 4.03Å; V23-I69 HydrophobicContact CG2-CD1 4.17Å; V23-Y79 HydrophobicContact CG2-CD2 3.85Å; V23-Y79 HydrophobicContact CG2-CE2 4.34Å; V23-F82 HydrophobicContact CG2-CD1 3.68Å; V23-F82 HydrophobicContact CG2-CE1 3.9Å; V23-F82 HydrophobicContact CG2-CG 4.07Å; V23-F82 HydrophobicContact CG2-CZ 4.46Å
24M98.4Very high97.5Very high25 Ų2566.3 Ų66.312%0.12335%0.353CS..Hα-helixtrans-62.8-39.4-178.9-68.4-175.5-55.800112V5 I7 Q20 L27 A28 Y34 E36V5-M24 HydrophobicContact CG1-CG 4.44Å; I7-M24 HydrophobicContact CD1-SD 4.07Å; I7-M24 HydrophobicContact CG2-SD 3.99Å; Q20-M24 HydrophobicContact CB-CE 4.19Å; Q20-M24 WeakPolarHBondContact O-CB 3.35Å; Q20-M24 WeakPolarHBondContact O-CE 3.46Å; Q20-M24 VanDerWaalsContact O-CG 3.29Å; Q20-M24 WeakPolarHBondContact O-CG 3.38Å; Q20-M24 PolarHBondContact O-N 3.28Å; M24-L27 PolarHBondContact O-N 3.22Å; M24-A28 WeakPolarHBondContact O-CB 3.46Å; M24-A28 PolarHBondContact O-N 3.48Å; M24-Y34 HydrophobicContact CB-CE2 4.08Å; M24-Y34 WeakPolarHBondContact CB-OH 3.23Å; M24-Y34 HydrophobicContact CG-CE2 3.78Å; M24-Y34 PolarHBondContact O-OH 3.07Å; M24-Y34 HydrophobicContact SD-CE2 4.29Å; M24-E36 VanDerWaalsContact SD-CD 3.51Å; M24-E36 HydrophobicContact SD-CG 3.75Å
25G98.3Very high97.6Very high37 Ų3766.3 Ų66.338%0.38135%0.346SS..Hα-helixtrans-63.8-41.5176.400000112.3Q21 D22 V23 A29Q21-G25 WeakPolarHBondContact O-CA 3.32Å; Q21-G25 PolarHBondContact O-N 2.95Å; D22-G25 PolarHBondContact O-N 3.08Å; V23-G25 VanDerWaalsContact C-N 3.32Å; V23-G25 PolarHBondContact O-N 3.41Å; G25-A29 VanDerWaalsContact O-CB 3.24Å; G25-A29 WeakPolarHBondContact O-CB 3.37Å; G25-A29 PolarHBondContact O-N 3.4Å
26F97.8Very high97.6Very high30 Ų3068 Ų6813%0.13235%0.347CS..Hα-helixtrans-62.5-48.8174178.8-84.2000111.7D22 V23 A28 A29 N30 I32 F82 R86 V91D22-F26 WeakPolarHBondContact O-CB 3.25Å; D22-F26 PolarHBondContact O-N 2.86Å; V23-F26 PolarHBondContact O-N 3.39Å; F26-A28 VanDerWaalsContact C-N 3.33Å; F26-A28 PolarHBondContact O-N 3.31Å; F26-A29 PolarHBondContact O-N 2.8Å; F26-N30 HydrophobicContact CE1-CB 4.48Å; F26-N30 WeakPolarHBondContact CE1-ND2 3.15Å; F26-N30 WeakPolarHBondContact CE2-ND2 3.42Å; F26-N30 VanDerWaalsContact CZ-ND2 3.32Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.06Å; F26-N30 WeakPolarHBondContact O-CB 3.13Å; F26-N30 PolarHBondContact O-N 3.47Å; F26-N30 PolarHBondContact O-ND2 2.93Å; F26-I32 HydrophobicContact CE1-CD1 4.3Å; F26-F82 HydrophobicContact CB-CE2 4.43Å; F26-F82 HydrophobicContact CB-CZ 3.68Å; F26-F82 AromaticContact CD1-CE2 3.88Å; F26-F82 HydrophobicContact CD1-CE2 3.88Å; F26-F82 AromaticContact CD1-CZ 3.91Å; F26-F82 HydrophobicContact CD1-CZ 3.91Å; F26-F82 HydrophobicContact CD2-CZ 4.24Å; F26-F82 HydrophobicContact CE1-CE2 4.42Å; F26-F82 HydrophobicContact CG-CE2 4.14Å; F26-F82 AromaticContact CG-CZ 3.67Å; F26-F82 HydrophobicContact CG-CZ 3.67Å; F26-R86 HydrophobicContact CE2-CG 4.38Å; F26-V91 HydrophobicContact CD1-CG1 4.16Å; F26-V91 HydrophobicContact CE1-CB 3.97Å; F26-V91 HydrophobicContact CE1-CG1 3.41Å; F26-V91 VanDerWaalsContact CE1-CG1 3.41Å; F26-V91 HydrophobicContact CE1-CG2 4.28Å; F26-V91 HydrophobicContact CE2-CG2 4.34Å; F26-V91 HydrophobicContact CZ-CB 3.83Å; F26-V91 HydrophobicContact CZ-CG1 3.8Å; F26-V91 HydrophobicContact CZ-CG2 3.81Å
27L97.6Very high97.6Very high0 Ų067.1 Ų67.10%034%0.342CS..Hα-helixtrans-59.7-46.3-179.9-64.5173.6000110.6I3 V5 V23 M24 N30 K31 I32 Y34 L95I3-L27 HydrophobicContact CG2-CD1 4.06Å; V5-L27 HydrophobicContact CG2-CD1 3.51Å; V23-L27 HydrophobicContact CG1-CD1 4.18Å; V23-L27 WeakPolarHBondContact O-CG 3.46Å; V23-L27 PolarHBondContact O-N 3.43Å; M24-L27 PolarHBondContact O-N 3.22Å; L27-N30 CarbonylContact O-C 3.56Å; L27-N30 PolarHBondContact O-N 2.92Å; L27-K31 PolarHBondContact O-N 3.48Å; L27-K31 VanDerWaalsContact O-N 3.08Å; L27-I32 HydrophobicContact CB-CB 4.35Å; L27-I32 HydrophobicContact CD2-CB 4.02Å; L27-I32 HydrophobicContact CD2-CD1 3.95Å; L27-I32 HydrophobicContact CD2-CG2 3.89Å; L27-I32 PolarHBondContact O-N 3.01Å; L27-Y34 HydrophobicContact CB-CD1 3.52Å; L27-Y34 HydrophobicContact CB-CE1 3.73Å; L27-Y34 HydrophobicContact CB-CG 4.25Å; L27-Y34 HydrophobicContact CD1-CD1 3.88Å; L27-Y34 HydrophobicContact CD1-CD2 4.19Å; L27-Y34 HydrophobicContact CD1-CE1 4.48Å; L27-Y34 HydrophobicContact CD1-CG 3.71Å; L27-Y34 HydrophobicContact CG-CD1 4.34Å; L27-L95 HydrophobicContact CD2-CD1 3.62Å
28A97.5Very high97.6Very high57 Ų5764 Ų6447%0.47133%0.33SS..Hα-helixtrans-62.1-45.8176.800000112.7M24 F26 N30 K31 Y34M24-A28 WeakPolarHBondContact O-CB 3.46Å; M24-A28 PolarHBondContact O-N 3.48Å; F26-A28 VanDerWaalsContact C-N 3.33Å; F26-A28 PolarHBondContact O-N 3.31Å; A28-N30 PolarHBondContact O-N 2.93Å; A28-K31 PolarHBondContact O-N 3.2Å; A28-Y34 HydrophobicContact CB-CE1 4.42Å
29A96.7Very high97.6Very high82 Ų8258 Ų5868%0.67830%0.304SS*.Hα-helixtrans-62.6-32.9179.300000112.7G25 F26 K31G25-A29 VanDerWaalsContact O-CB 3.24Å; G25-A29 WeakPolarHBondContact O-CB 3.37Å; G25-A29 PolarHBondContact O-N 3.4Å; F26-A29 PolarHBondContact O-N 2.8Å; A29-K31 VanDerWaalsContact C-N 3.35Å
30N94.9Very high97.5Very high60 Ų6057.3 Ų57.332%0.32131%0.307SS..THydrogen-bonded Turntrans-90.43.9177.3-72.4-84.9000113.5F26 L27 A28 I32 Y92F26-N30 HydrophobicContact CE1-CB 4.48Å; F26-N30 WeakPolarHBondContact CE1-ND2 3.15Å; F26-N30 WeakPolarHBondContact CE2-ND2 3.42Å; F26-N30 VanDerWaalsContact CZ-ND2 3.32Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.06Å; F26-N30 WeakPolarHBondContact O-CB 3.13Å; F26-N30 PolarHBondContact O-N 3.47Å; F26-N30 PolarHBondContact O-ND2 2.93Å; L27-N30 CarbonylContact O-C 3.56Å; L27-N30 PolarHBondContact O-N 2.92Å; A28-N30 PolarHBondContact O-N 2.93Å; N30-I32 HydrophobicContact CB-CD1 3.93Å; N30-I32 HydrophobicContact CB-CG1 4.04Å; N30-I32 PolarHBondContact O-N 2.81Å; N30-Y92 PolarHBondContact OD1-OH 3.07Å
31K94.9Very high97.4Very high191 Ų19161 Ų6183%0.8334%0.339SS*.THydrogen-bonded Turntrans56.233.6-178-51.5179.7-178.7-178.70113.2L27 A28 A29L27-K31 PolarHBondContact O-N 3.48Å; L27-K31 VanDerWaalsContact O-N 3.08Å; A28-K31 PolarHBondContact O-N 3.2Å; A29-K31 VanDerWaalsContact C-N 3.35Å
32I96Very high97.3Very high17 Ų1758 Ų589%0.08733%0.328CS..  trans-84.1121.5172.1-60.2168.1000106.7I3 F26 L27 N30 Y34 Y92 L95 L97I3-I32 HydrophobicContact CG1-CG2 3.94Å; F26-I32 HydrophobicContact CE1-CD1 4.3Å; L27-I32 HydrophobicContact CB-CB 4.35Å; L27-I32 HydrophobicContact CD2-CB 4.02Å; L27-I32 HydrophobicContact CD2-CD1 3.95Å; L27-I32 HydrophobicContact CD2-CG2 3.89Å; L27-I32 PolarHBondContact O-N 3.01Å; N30-I32 HydrophobicContact CB-CD1 3.93Å; N30-I32 HydrophobicContact CB-CG1 4.04Å; N30-I32 PolarHBondContact O-N 2.81Å; I32-Y34 WeakPolarHBondContact O-CD1 3.23Å; I32-Y92 HydrophobicContact CD1-CD1 4.3Å; I32-Y92 HydrophobicContact CD1-CE1 3.72Å; I32-Y92 HydrophobicContact CG1-CE1 4.04Å; I32-L95 HydrophobicContact CD1-CD1 3.88Å; I32-L97 HydrophobicContact CG2-CD1 3.81Å
33E96.1Very high97.3Very high175 Ų17562.3 Ų62.382%0.81835%0.346SS*.  trans-70.1133.1175.7-66.5-170.4115.900110.6
34Y97.9Very high97.3Very high66 Ų6665.5 Ų65.526%0.25937%0.373SS..EExtended strand (participates in β ladder)trans-145.9158.8178.669.3-82.3000112.5I3 V5 M24 L27 A28 I32 E36I3-Y34 CarbonylContact O-C 3.42Å; I3-Y34 WeakPolarHBondContact O-CA 3.42Å; I3-Y34 VanDerWaalsContact O-CB 3.28Å; I3-Y34 WeakPolarHBondContact O-CB 3.08Å; V5-Y34 HydrophobicContact CG2-CD2 4.02Å; V5-Y34 HydrophobicContact CG2-CG 4.46Å; M24-Y34 HydrophobicContact CB-CE2 4.08Å; M24-Y34 WeakPolarHBondContact CB-OH 3.23Å; M24-Y34 HydrophobicContact CG-CE2 3.78Å; M24-Y34 PolarHBondContact O-OH 3.07Å; M24-Y34 HydrophobicContact SD-CE2 4.29Å; L27-Y34 HydrophobicContact CB-CD1 3.52Å; L27-Y34 HydrophobicContact CB-CE1 3.73Å; L27-Y34 HydrophobicContact CB-CG 4.25Å; L27-Y34 HydrophobicContact CD1-CD1 3.88Å; L27-Y34 HydrophobicContact CD1-CD2 4.19Å; L27-Y34 HydrophobicContact CD1-CE1 4.48Å; L27-Y34 HydrophobicContact CD1-CG 3.71Å; L27-Y34 HydrophobicContact CG-CD1 4.34Å; A28-Y34 HydrophobicContact CB-CE1 4.42Å; I32-Y34 WeakPolarHBondContact O-CD1 3.23Å; Y34-E36 HydrophobicContact CD2-CG 4.15Å; Y34-E36 HydrophobicContact CE2-CG 3.65Å
35E98.1Very high97.2Very high96 Ų9665.9 Ų65.945%0.44938%0.375SS..EExtended strand (participates in β ladder)trans-108.5133.4172.8-171.6-174160.200109.9V2 I3 K4 V5V2-E35 HydrophobicContact CG1-CB 4.45Å; I3-E35 PolarHBondContact O-N 3.08Å; K4-E35 HydrophobicContact CG-CB 4.39Å; V5-E35 PolarHBondContact N-O 2.91Å
36E97.8Very high97.2Very high103 Ų10367.3 Ų67.348%0.48137%0.369SS..EExtended strand (participates in β ladder)trans-87.7108.9171.6-67-178.2-14500110.2I7 M24 Y34 D38I7-E36 HydrophobicContact CD1-CB 4.03Å; I7-E36 HydrophobicContact CD1-CG 4.27Å; I7-E36 WeakPolarHBondContact CD1-OE2 3.44Å; M24-E36 VanDerWaalsContact SD-CD 3.51Å; M24-E36 HydrophobicContact SD-CG 3.75Å; Y34-E36 HydrophobicContact CD2-CG 4.15Å; Y34-E36 HydrophobicContact CE2-CG 3.65Å; E36-D38 PolarHBondContact O-N 3.45Å
37C98.2Very high97.2Very high2 Ų271.9 Ų71.91%0.01439%0.389CS..EExtended strand (participates in β ladder)trans-98.387.2179.6-570000110V5 Y6 I7 I39 N45V5-C37 PolarHBondContact O-N 3.31Å; Y6-C37 WeakPolarHBondContact CA-O 3.35Å; Y6-C37 HydrophobicContact CD1-CB 3.41Å; Y6-C37 VanDerWaalsContact CD1-CB 3.41Å; Y6-C37 HydrophobicContact CD2-CB 4.26Å; Y6-C37 HydrophobicContact CE1-CB 3.43Å; Y6-C37 VanDerWaalsContact CE1-CB 3.43Å; Y6-C37 HydrophobicContact CE2-CB 4.27Å; Y6-C37 HydrophobicContact CG-CB 3.85Å; I7-C37 PolarHBondContact N-O 3.32Å; I7-C37 VanDerWaalsContact N-O 3.15Å; C37-I39 PolarHBondContact O-N 3.33Å; C37-N45 HydrophobicContact CB-CB 4.5Å
38D98.3Very high97.3Very high26 Ų2674.8 Ų74.814%0.13940%0.4CS..EExtended strand (participates in β ladder)trans-71.2116.4-176.4-174.814.3000112.8I7 A8 T9 E36 A40 A41 N42 N45I7-D38 HydrophobicContact CG1-CB 4.34Å; I7-D38 CarbonylContact O-C 3.53Å; I7-D38 WeakPolarHBondContact O-CA 3.32Å; A8-D38 WeakPolarHBondContact CA-OD1 3.39Å; T9-D38 WeakPolarHBondContact CB-OD2 3.45Å; T9-D38 HydrophobicContact CG2-CB 4.06Å; T9-D38 VanDerWaalsContact CG2-CG 3.46Å; T9-D38 VanDerWaalsContact CG2-OD2 3.25Å; T9-D38 WeakPolarHBondContact CG2-OD2 3.46Å; T9-D38 PolarHBondContact N-OD1 2.87Å; T9-D38 PolarHBondContact OG1-OD1 2.87Å; T9-D38 PolarHBondContact OG1-OD2 2.94Å; E36-D38 PolarHBondContact O-N 3.45Å; D38-A40 VanDerWaalsContact OD1-CB 3.31Å; D38-A40 WeakPolarHBondContact OD1-CB 3.39Å; D38-A40 PolarHBondContact OD1-N 2.78Å; D38-A41 WeakPolarHBondContact OD2-CB 3.21Å; D38-N42 VanDerWaalsContact O-CB 3.24Å; D38-N42 WeakPolarHBondContact O-CB 3.4Å; D38-N42 PolarHBondContact O-N 3.37Å; D38-N45 PolarHBondContact N-ND2 2.88Å; D38-N45 PolarHBondContact O-ND2 3.43Å
39I98.2Very high97.3Very high13 Ų1372 Ų727%0.06738%0.377CS..THydrogen-bonded Turntrans-85.6-14.4179.175.9179000113.2Y6 I7 A8 C37 N45 R46 M49 P66Y6-I39 HydrophobicContact CD1-CG2 3.78Å; Y6-I39 HydrophobicContact CG-CG2 4.47Å; I7-I39 WeakPolarHBondContact O-CG1 3.46Å; I7-I39 PolarHBondContact O-N 3.45Å; A8-I39 HydrophobicContact CB-CD1 4.41Å; A8-I39 HydrophobicContact CB-CG1 3.99Å; C37-I39 PolarHBondContact O-N 3.33Å; I39-N45 HydrophobicContact CG2-CB 4.25Å; I39-R46 HydrophobicContact CB-CB 3.85Å; I39-R46 HydrophobicContact CB-CG 4.29Å; I39-R46 HydrophobicContact CG2-CB 4.5Å; I39-R46 PolarHBondContact O-NH1 2.9Å; I39-M49 HydrophobicContact CD1-CE 3.75Å; I39-M49 HydrophobicContact CD1-SD 3.97Å; I39-M49 HydrophobicContact CG2-CB 4.41Å; I39-M49 HydrophobicContact CG2-SD 4.01Å; I39-P66 HydrophobicContact CD1-CB 4.38Å; I39-P66 HydrophobicContact CD1-CG 3.92Å
40A96.8Very high97.3Very high35 Ų3572.4 Ų72.429%0.28936%0.361SS..THydrogen-bonded Turntrans-77.7-43.9179.800000110.9A8 S10 D38A8-A40 HydrophobicContact CB-CB 4.17Å; S10-A40 WeakPolarHBondContact OG-CB 2.81Å; D38-A40 VanDerWaalsContact OD1-CB 3.31Å; D38-A40 WeakPolarHBondContact OD1-CB 3.39Å; D38-A40 PolarHBondContact OD1-N 2.78Å
41A95.6Very high97.4Very high87 Ų8775 Ų7572%0.71937%0.371SS*.THydrogen-bonded Turntrans-91.8-21.6178.800000114.1D38D38-A41 WeakPolarHBondContact OD2-CB 3.21Å
42N97.7Very high97.6Very high69 Ų6968.9 Ų68.937%0.36935%0.348SS..  trans-120.9115.3-176.9-171.9-32.8000112.1D38 A44 N45 R46D38-N42 VanDerWaalsContact O-CB 3.24Å; D38-N42 WeakPolarHBondContact O-CB 3.4Å; D38-N42 PolarHBondContact O-N 3.37Å; N42-A44 WeakPolarHBondContact OD1-CA 3.37Å; N42-A44 WeakPolarHBondContact OD1-CB 3.1Å; N42-A44 PolarHBondContact OD1-N 3.39Å; N42-N45 HydrophobicContact CB-CB 4.12Å; N42-N45 PolarHBondContact O-N 3.39Å; N42-N45 PolarHBondContact OD1-N 3.04Å; N42-R46 PolarHBondContact O-N 3.22Å; N42-R46 VanDerWaalsContact O-N 3.12Å
43E97.3Very high97.6Very high136 Ų13668.1 Ų68.164%0.63634%0.344SS*.Hα-helixtrans-68.3-35.3179.4175.4157.6-136.900113.6N45 R46 K47E43-N45 VanDerWaalsContact C-N 3.34Å; E43-N45 PolarHBondContact O-N 3.38Å; E43-R46 VanDerWaalsContact CD-NH2 3.34Å; E43-R46 VanDerWaalsContact CG-NH2 3.34Å; E43-R46 WeakPolarHBondContact O-CB 3.45Å; E43-R46 PolarHBondContact O-N 3.05Å; E43-R46 IonicContact OE1-NH2 3.05Å; E43-R46 PolarHBondContact OE1-NH2 3.28Å; E43-R46 VanDerWaalsContact OE1-NH2 3.12Å; E43-K47 WeakPolarHBondContact O-CB 3.33Å; E43-K47 PolarHBondContact O-N 3.38Å
44A98.3Very high97.7Very high68 Ų6861.5 Ų61.556%0.56232%0.316SS*.Hα-helixtrans-63-44.2177.400000110.4N42 R46 K47 W48N42-A44 WeakPolarHBondContact OD1-CA 3.37Å; N42-A44 WeakPolarHBondContact OD1-CB 3.1Å; N42-A44 PolarHBondContact OD1-N 3.39Å; A44-R46 VanDerWaalsContact C-N 3.34Å; A44-R46 PolarHBondContact O-N 2.85Å; A44-K47 PolarHBondContact O-N 3.02Å; A44-W48 VanDerWaalsContact O-CB 3.23Å; A44-W48 WeakPolarHBondContact O-CB 3.42Å; A44-W48 PolarHBondContact O-N 2.82Å
45N98.3Very high97.4Very high33 Ų3365.8 Ų65.818%0.17634%0.339CS..Hα-helixtrans-60.6-44.4174.2-70.4-9.1000111.6Y6 C37 D38 I39 N42 E43 K47 W48 M49Y6-N45 HydrophobicContact CD1-CB 4.2Å; Y6-N45 HydrophobicContact CE1-CB 3.93Å; Y6-N45 WeakPolarHBondContact CE1-O 3.34Å; C37-N45 HydrophobicContact CB-CB 4.5Å; D38-N45 PolarHBondContact N-ND2 2.88Å; D38-N45 PolarHBondContact O-ND2 3.43Å; I39-N45 HydrophobicContact CG2-CB 4.25Å; N42-N45 HydrophobicContact CB-CB 4.12Å; N42-N45 PolarHBondContact O-N 3.39Å; N42-N45 PolarHBondContact OD1-N 3.04Å; E43-N45 VanDerWaalsContact C-N 3.34Å; E43-N45 PolarHBondContact O-N 3.38Å; N45-K47 PolarHBondContact O-N 3.31Å; N45-W48 PolarHBondContact O-N 2.98Å; N45-M49 VanDerWaalsContact O-CB 3.31Å; N45-M49 WeakPolarHBondContact O-CB 3.17Å; N45-M49 PolarHBondContact O-N 2.91Å
46R98.2Very high97.2Very high68 Ų6868.9 Ų68.926%0.25735%0.353SS..Hα-helixtrans-60.4-46.6178.3-175.217361.8-123.34.9112.4I39 N42 E43 A44 R50I39-R46 HydrophobicContact CB-CB 3.85Å; I39-R46 HydrophobicContact CB-CG 4.29Å; I39-R46 HydrophobicContact CG2-CB 4.5Å; I39-R46 PolarHBondContact O-NH1 2.9Å; N42-R46 PolarHBondContact O-N 3.22Å; N42-R46 VanDerWaalsContact O-N 3.12Å; E43-R46 VanDerWaalsContact CD-NH2 3.34Å; E43-R46 VanDerWaalsContact CG-NH2 3.34Å; E43-R46 WeakPolarHBondContact O-CB 3.45Å; E43-R46 PolarHBondContact O-N 3.05Å; E43-R46 IonicContact OE1-NH2 3.05Å; E43-R46 PolarHBondContact OE1-NH2 3.28Å; E43-R46 VanDerWaalsContact OE1-NH2 3.12Å; A44-R46 VanDerWaalsContact C-N 3.34Å; A44-R46 PolarHBondContact O-N 2.85Å; R46-R50 VanDerWaalsContact O-CG 3.31Å; R46-R50 WeakPolarHBondContact O-CG 3.35Å; R46-R50 PolarHBondContact O-N 2.96Å
47K98.1Very high97Very high125 Ų12566.2 Ų66.254%0.54335%0.345SS..Hα-helixtrans-65.3-51.3179-177179.9173.9-175.60110.1E43 A44 N45 M49 R50 E51E43-K47 WeakPolarHBondContact O-CB 3.33Å; E43-K47 PolarHBondContact O-N 3.38Å; A44-K47 PolarHBondContact O-N 3.02Å; N45-K47 PolarHBondContact O-N 3.31Å; K47-M49 PolarHBondContact O-N 3.3Å; K47-R50 PolarHBondContact O-N 3.29Å; K47-E51 VanDerWaalsContact CE-CD 3.45Å; K47-E51 WeakPolarHBondContact CE-OE1 3.32Å; K47-E51 WeakPolarHBondContact CE-OE2 3.48Å; K47-E51 HydrophobicContact CG-CG 4.4Å; K47-E51 IonicContact NZ-OE1 3.12Å; K47-E51 WeakPolarHBondContact O-CG 3.48Å; K47-E51 PolarHBondContact O-N 3.46Å
48W98.4Very high96.8Very high61 Ų6171.1 Ų71.123%0.23136%0.364CS..Hα-helixtrans-57.9-47.3-178.4-168.499.5000111.7Y6 A44 N45 R50 E51 N52 F70 E73Y6-W48 HydrophobicContact CE1-CE3 4.08Å; Y6-W48 AromaticContact CE2-CE3 3.72Å; Y6-W48 HydrophobicContact CE2-CE3 3.72Å; Y6-W48 AromaticContact CE2-CZ3 3.5Å; Y6-W48 HydrophobicContact CE2-CZ3 3.5Å; Y6-W48 AromaticContact CZ-CE3 3.29Å; Y6-W48 AromaticContact CZ-CZ3 3.58Å; Y6-W48 VanDerWaalsContact OH-CZ3 3.23Å; Y6-W48 WeakPolarHBondContact OH-CZ3 3.49Å; A44-W48 VanDerWaalsContact O-CB 3.23Å; A44-W48 WeakPolarHBondContact O-CB 3.42Å; A44-W48 PolarHBondContact O-N 2.82Å; N45-W48 PolarHBondContact O-N 2.98Å; W48-R50 VanDerWaalsContact C-N 3.35Å; W48-R50 PolarHBondContact O-N 2.78Å; W48-E51 PolarHBondContact O-N 3.36Å; W48-N52 HydrophobicContact CD2-CB 4.31Å; W48-N52 VanDerWaalsContact CD2-ND2 3.31Å; W48-N52 VanDerWaalsContact CE2-ND2 3.33Å; W48-N52 HydrophobicContact CE3-CB 4.03Å; W48-N52 HydrophobicContact CH2-CB 3.98Å; W48-N52 HydrophobicContact CZ2-CB 4.23Å; W48-N52 HydrophobicContact CZ3-CB 3.87Å; W48-N52 PolarHBondContact NE1-ND2 3.03Å; W48-N52 WeakPolarHBondContact O-CB 3.33Å; W48-N52 PolarHBondContact O-N 3.24Å; W48-N52 PolarHBondContact O-ND2 3.23Å; W48-F70 AromaticContact CH2-CD1 3.74Å; W48-F70 HydrophobicContact CH2-CD1 3.74Å; W48-F70 AromaticContact CH2-CE1 3.93Å; W48-F70 HydrophobicContact CH2-CE1 3.93Å; W48-F70 HydrophobicContact CH2-CG 4.21Å; W48-F70 AromaticContact CZ3-CD1 3.75Å; W48-F70 HydrophobicContact CZ3-CD1 3.75Å; W48-F70 HydrophobicContact CZ3-CD2 4.14Å; W48-F70 AromaticContact CZ3-CE1 3.68Å; W48-F70 HydrophobicContact CZ3-CE1 3.68Å; W48-F70 HydrophobicContact CZ3-CE2 4.06Å; W48-F70 AromaticContact CZ3-CG 3.99Å; W48-F70 HydrophobicContact CZ3-CG 3.99Å; W48-F70 AromaticContact CZ3-CZ 3.83Å; W48-F70 HydrophobicContact CZ3-CZ 3.83Å; W48-E73 HydrophobicContact CZ2-CB 4.34Å; W48-E73 HydrophobicContact CZ2-CG 4.23Å
49M98.1Very high96.4Very high0 Ų072.7 Ų72.70%038%0.375CS..Hα-helixtrans-56.4-48.6177.5-174.8-160.672.300111.4Y6 I39 N45 K47 E51 N52 V53 P64 Q68 F70Y6-M49 HydrophobicContact CD1-CB 3.65Å; Y6-M49 HydrophobicContact CD1-CG 4.1Å; Y6-M49 HydrophobicContact CD2-CB 4.49Å; Y6-M49 HydrophobicContact CD2-CG 4.34Å; Y6-M49 HydrophobicContact CE1-CB 4.07Å; Y6-M49 HydrophobicContact CG-CB 3.88Å; Y6-M49 HydrophobicContact CG-CG 3.8Å; Y6-M49 HydrophobicContact CG-SD 4.25Å; I39-M49 HydrophobicContact CD1-CE 3.75Å; I39-M49 HydrophobicContact CD1-SD 3.97Å; I39-M49 HydrophobicContact CG2-CB 4.41Å; I39-M49 HydrophobicContact CG2-SD 4.01Å; N45-M49 VanDerWaalsContact O-CB 3.31Å; N45-M49 WeakPolarHBondContact O-CB 3.17Å; N45-M49 PolarHBondContact O-N 2.91Å; K47-M49 PolarHBondContact O-N 3.3Å; M49-E51 VanDerWaalsContact C-N 3.34Å; M49-E51 PolarHBondContact O-N 3.33Å; M49-N52 PolarHBondContact O-N 3.36Å; M49-V53 HydrophobicContact CG-CG2 4.46Å; M49-V53 VanDerWaalsContact O-CG2 3.23Å; M49-V53 WeakPolarHBondContact O-CG2 3.47Å; M49-V53 PolarHBondContact O-N 2.88Å; M49-P64 HydrophobicContact CE-CB 4.49Å; M49-P64 WeakPolarHBondContact CE-O 3.24Å; M49-Q68 HydrophobicContact CG-CB 3.95Å; M49-Q68 HydrophobicContact CG-CG 4.04Å; M49-Q68 HydrophobicContact SD-CB 3.96Å; M49-Q68 HydrophobicContact SD-CG 3.68Å; M49-F70 HydrophobicContact CG-CE2 4.48Å
50R96.9Very high96Very high89 Ų8977.6 Ų77.634%0.33642%0.417SS..Hα-helixtrans-66.4-36.4-176.8-70.1175-178.2179.9-0112.8R46 K47 W48 R58 N63R46-R50 VanDerWaalsContact O-CG 3.31Å; R46-R50 WeakPolarHBondContact O-CG 3.35Å; R46-R50 PolarHBondContact O-N 2.96Å; K47-R50 PolarHBondContact O-N 3.29Å; W48-R50 VanDerWaalsContact C-N 3.35Å; W48-R50 PolarHBondContact O-N 2.78Å; R50-R58 PolarHBondContact O-NH2 2.97Å; R50-N63 HydrophobicContact CG-CB 4.4Å
51E96.9Very high95.7Very high115 Ų11582.1 Ų82.154%0.53744%0.442SS..Hα-helixtrans-73.3-36.4179.5-71.3176.7162.900112K47 W48 M49 R58K47-E51 VanDerWaalsContact CE-CD 3.45Å; K47-E51 WeakPolarHBondContact CE-OE1 3.32Å; K47-E51 WeakPolarHBondContact CE-OE2 3.48Å; K47-E51 HydrophobicContact CG-CG 4.4Å; K47-E51 IonicContact NZ-OE1 3.12Å; K47-E51 WeakPolarHBondContact O-CG 3.48Å; K47-E51 PolarHBondContact O-N 3.46Å; W48-E51 PolarHBondContact O-N 3.36Å; M49-E51 VanDerWaalsContact C-N 3.34Å; M49-E51 PolarHBondContact O-N 3.33Å; E51-R58 PolarHBondContact O-NH2 3.02Å
52N97.9Very high95.5Very high63 Ų6380.9 Ų80.934%0.33744%0.437SS..Hα-helixtrans-94.7-6.9-173.8-68.2-85.4000114.5W48 M49 P54 F70W48-N52 HydrophobicContact CD2-CB 4.31Å; W48-N52 VanDerWaalsContact CD2-ND2 3.31Å; W48-N52 VanDerWaalsContact CE2-ND2 3.33Å; W48-N52 HydrophobicContact CE3-CB 4.03Å; W48-N52 HydrophobicContact CH2-CB 3.98Å; W48-N52 HydrophobicContact CZ2-CB 4.23Å; W48-N52 HydrophobicContact CZ3-CB 3.87Å; W48-N52 PolarHBondContact NE1-ND2 3.03Å; W48-N52 WeakPolarHBondContact O-CB 3.33Å; W48-N52 PolarHBondContact O-N 3.24Å; W48-N52 PolarHBondContact O-ND2 3.23Å; M49-N52 PolarHBondContact O-N 3.36Å; N52-P54 WeakPolarHBondContact O-CD 3.34Å; N52-F70 HydrophobicContact CB-CE1 3.9Å; N52-F70 HydrophobicContact CB-CZ 4.23Å
53V97.8Very high95.3Very high1 Ų181.4 Ų81.41%0.00644%0.44CS..SBendtrans-69.2122.7165.2170.20000108.6M49 R58 P64 Q68 F70 Y75M49-V53 HydrophobicContact CG-CG2 4.46Å; M49-V53 VanDerWaalsContact O-CG2 3.23Å; M49-V53 WeakPolarHBondContact O-CG2 3.47Å; M49-V53 PolarHBondContact O-N 2.88Å; V53-R58 HydrophobicContact CG1-CG 3.95Å; V53-R58 PolarHBondContact O-NE 3.41Å; V53-R58 PolarHBondContact O-NH2 3.24Å; V53-P64 HydrophobicContact CB-CB 4.31Å; V53-P64 HydrophobicContact CB-CG 3.91Å; V53-P64 HydrophobicContact CG1-CB 4.15Å; V53-P64 HydrophobicContact CG1-CG 3.77Å; V53-P64 HydrophobicContact CG2-CB 4.02Å; V53-P64 HydrophobicContact CG2-CG 4.15Å; V53-Q68 HydrophobicContact CG2-CG 4.21Å; V53-F70 HydrophobicContact CG2-CZ 4.06Å; V53-Y75 HydrophobicContact CG1-CE2 4.49Å; V53-Y75 HydrophobicContact CG2-CD2 4.43Å; V53-Y75 HydrophobicContact CG2-CE2 3.9Å
54P96.3Very high95.2Very high35 Ų3575.3 Ų75.323%0.22741%0.413CS..  trans-57.8145.6178.2-23.433.8000112N52 E56 S57 R58 Y75N52-P54 WeakPolarHBondContact O-CD 3.34Å; P54-E56 VanDerWaalsContact C-N 3.27Å; P54-E56 HydrophobicContact CB-CG 4.32Å; P54-E56 WeakPolarHBondContact CB-OE1 3.31Å; P54-E56 WeakPolarHBondContact CB-OE2 3.44Å; P54-E56 PolarHBondContact O-N 3.49Å; P54-S57 PolarHBondContact O-N 3.25Å; P54-R58 WeakPolarHBondContact O-CG 3.34Å; P54-R58 PolarHBondContact O-N 3.46Å; P54-Y75 HydrophobicContact CG-CD1 3.51Å; P54-Y75 HydrophobicContact CG-CE1 4.21Å; P54-Y75 HydrophobicContact CG-CG 3.91Å
55E93.2Very high95.2Very high157 Ų15777.5 Ų77.573%0.73441%0.414SS*.G310 helixtrans-59.8-37.8-173.5-168.5172172.200112.5S57 R58E55-S57 PolarHBondContact O-N 2.89Å; E55-R58 WeakPolarHBondContact O-CB 3.29Å; E55-R58 PolarHBondContact O-N 3.43Å; E55-R58 VanDerWaalsContact O-N 3.11Å
56E93.1Very high95.1Very high161 Ų16176.3 Ų76.375%0.75241%0.408SS*.G310 helixtrans-64.6-21.4176.268.1-88.4-152.400113.8P54P54-E56 VanDerWaalsContact C-N 3.27Å; P54-E56 HydrophobicContact CB-CG 4.32Å; P54-E56 WeakPolarHBondContact CB-OE1 3.31Å; P54-E56 WeakPolarHBondContact CB-OE2 3.44Å; P54-E56 PolarHBondContact O-N 3.49Å
57S93.7Very high95.2Very high46 Ų4673.1 Ų73.132%0.32240%0.396SS..G310 helixtrans-100.20.9178.7-60.90000112.5P54 E55P54-S57 PolarHBondContact O-N 3.25Å; E55-S57 PolarHBondContact O-N 2.89Å
58R93.4Very high95.2Very high106 Ų10667.6 Ų67.640%0.437%0.372SS..SBendtrans-79.4145.6176-64.2-178-175.5172.81.2110.3R50 E51 V53 P54 E55 P64R50-R58 PolarHBondContact O-NH2 2.97Å; E51-R58 PolarHBondContact O-NH2 3.02Å; V53-R58 HydrophobicContact CG1-CG 3.95Å; V53-R58 PolarHBondContact O-NE 3.41Å; V53-R58 PolarHBondContact O-NH2 3.24Å; P54-R58 WeakPolarHBondContact O-CG 3.34Å; P54-R58 PolarHBondContact O-N 3.46Å; E55-R58 WeakPolarHBondContact O-CB 3.29Å; E55-R58 PolarHBondContact O-N 3.43Å; E55-R58 VanDerWaalsContact O-N 3.11Å; R58-P64 HydrophobicContact CG-CG 4.03Å
59P91.1Very high95.2Very high59 Ų5964.7 Ų64.738%0.38336%0.361SS..  trans-65150.1173.928.9-34.6000110.6T61P59-T61 PolarHBondContact O-N 3.12Å
60A89.1Confident95.2Very high115 Ų11564.7 Ų64.795%0.9536%0.361SS*.SBendtrans-58.9-21.7176.800000113.4
61T90.4Very high95.3Very high130 Ų13061.1 Ų61.180%0.79835%0.349SS*.SBendtrans-141.4135.1174.5-55.30000110.2P59P59-T61 PolarHBondContact O-N 3.12Å
62G91.2Very high95.2Very high61 Ų6160.1 Ų60.163%0.62935%0.345SS*.SBendtrans87.8-161.9175.400000114
63N94.1Very high95.1Very high80 Ų8064.3 Ų64.343%0.42836%0.362SS..PPolyproline II helixtrans-98.5152.1-179.2-65.4-66.6000110.5R50 L65R50-N63 HydrophobicContact CG-CB 4.4Å; N63-L65 PolarHBondContact O-N 3.5Å
64P95.6Very high95.1Very high9 Ų971.1 Ų71.16%0.05839%0.392CS..PPolyproline II helixtrans-50.8134.5166.8-24.933.8000111.2M49 V53 R58M49-P64 HydrophobicContact CE-CB 4.49Å; M49-P64 WeakPolarHBondContact CE-O 3.24Å; V53-P64 HydrophobicContact CB-CB 4.31Å; V53-P64 HydrophobicContact CB-CG 3.91Å; V53-P64 HydrophobicContact CG1-CB 4.15Å; V53-P64 HydrophobicContact CG1-CG 3.77Å; V53-P64 HydrophobicContact CG2-CB 4.02Å; V53-P64 HydrophobicContact CG2-CG 4.15Å; R58-P64 HydrophobicContact CG-CG 4.03Å
65L96.9Very high95.1Very high113 Ų11371.3 Ų71.359%0.59239%0.388SS*.PPolyproline II helixtrans-102.6145.5-179.1-62.4178000110.2I16 N63 Q68I16-L65 HydrophobicContact CD1-CB 4.37Å; I16-L65 HydrophobicContact CD1-CD1 4.36Å; N63-L65 PolarHBondContact O-N 3.5Å; L65-Q68 PolarHBondContact O-NE2 3.48Å
66P97.9Very high95.4Very high8 Ų864.9 Ų64.95%0.05236%0.36CS..SBendtrans-70.5156.9175.429.3-33.5000112Y6 A8 I16 I39Y6-P66 VanDerWaalsContact O-CB 3.31Å; Y6-P66 WeakPolarHBondContact O-CB 3.28Å; A8-P66 HydrophobicContact CB-CG 3.7Å; I16-P66 HydrophobicContact CG2-CG 3.98Å; I39-P66 HydrophobicContact CD1-CB 4.38Å; I39-P66 HydrophobicContact CD1-CG 3.92Å
67P98.4Very high95.6Very high1 Ų157.4 Ų57.41%0.00633%0.326CS..PPolyproline II helixcis-76.1144.10.531.2-33.8000113.1V5 Y6 Q19 Q20 V23 Y79V5-P67 HydrophobicContact CG1-CB 4.2Å; Y6-P67 VanDerWaalsContact O-CA 3.31Å; Y6-P67 WeakPolarHBondContact O-CA 3.37Å; Q19-P67 HydrophobicContact CB-CG 4.19Å; Q20-P67 HydrophobicContact CG-CB 4.02Å; Q20-P67 HydrophobicContact CG-CG 4.32Å; V23-P67 HydrophobicContact CG2-CB 4.36Å; V23-P67 HydrophobicContact CG2-CG 3.93Å; P67-Y79 HydrophobicContact CG-CD2 4.16Å; P67-Y79 HydrophobicContact CG-CG 4.45Å
68Q98.7Very high95.9Very high9 Ų957.1 Ų57.14%0.04232%0.321CS..EExtended strand (participates in β ladder)trans-125.1127.9170-63.3-65.7-32.700109.1Y6 M49 V53 L65 F70 Y75Y6-Q68 PolarHBondContact N-O 3.3Å; Y6-Q68 PolarHBondContact O-N 2.91Å; Y6-Q68 VanDerWaalsContact O-N 3.14Å; M49-Q68 HydrophobicContact CG-CB 3.95Å; M49-Q68 HydrophobicContact CG-CG 4.04Å; M49-Q68 HydrophobicContact SD-CB 3.96Å; M49-Q68 HydrophobicContact SD-CG 3.68Å; V53-Q68 HydrophobicContact CG2-CG 4.21Å; L65-Q68 PolarHBondContact O-NE2 3.48Å; Q68-F70 HydrophobicContact CB-CE2 4Å; Q68-Y75 PolarHBondContact OE1-OH 2.79Å
69I98.8Very high96.1Very high0 Ų054.3 Ų54.30%031%0.311CS..EExtended strand (participates in β ladder)trans-111.5131.1-168.3-55.5156.8000109.2I3 V23 C76 G77 F82 F94 L95I3-I69 HydrophobicContact CG2-CG2 3.98Å; V23-I69 HydrophobicContact CG1-CD1 3.77Å; V23-I69 HydrophobicContact CG1-CG1 4.03Å; V23-I69 HydrophobicContact CG2-CD1 4.17Å; I69-C76 HydrophobicContact CB-CB 4.27Å; I69-C76 HydrophobicContact CG2-CB 4.03Å; I69-C76 WeakPolarHBondContact O-CB 3.42Å; I69-C76 PolarHBondContact O-N 3.25Å; I69-G77 PolarHBondContact N-O 3.5Å; I69-G77 PolarHBondContact O-N 3.48Å; I69-F82 HydrophobicContact CD1-CB 3.71Å; I69-F82 HydrophobicContact CD1-CD2 4.08Å; I69-F82 HydrophobicContact CD1-CG 4.04Å; I69-F94 HydrophobicContact CB-CE1 4.43Å; I69-F94 HydrophobicContact CD1-CE1 3.82Å; I69-F94 HydrophobicContact CD1-CZ 4.04Å; I69-F94 HydrophobicContact CG2-CE1 4.3Å; I69-L95 HydrophobicContact CG2-CD2 3.58Å
70F98.6Very high96.4Very high0 Ų057.8 Ų57.80%032%0.322CS..EExtended strand (participates in β ladder)trans-129.9148.9176.7-66-105.1000109.5I3 K4 Y6 W48 M49 N52 V53 Q68 K74 Y75I3-F70 CarbonylContact C-O 3.55Å; I3-F70 WeakPolarHBondContact CA-O 3.4Å; K4-F70 HydrophobicContact CB-CB 4.38Å; K4-F70 PolarHBondContact N-O 3.4Å; K4-F70 PolarHBondContact O-N 2.87Å; Y6-F70 AromaticContact CD2-CD2 3.59Å; Y6-F70 HydrophobicContact CD2-CD2 3.59Å; Y6-F70 AromaticContact CD2-CE2 3.78Å; Y6-F70 HydrophobicContact CD2-CE2 3.78Å; Y6-F70 AromaticContact CE2-CD2 3.68Å; Y6-F70 HydrophobicContact CE2-CD2 3.68Å; Y6-F70 AromaticContact CE2-CE2 4Å; Y6-F70 HydrophobicContact CE2-CE2 4Å; Y6-F70 HydrophobicContact CE2-CG 4.34Å; W48-F70 AromaticContact CH2-CD1 3.74Å; W48-F70 HydrophobicContact CH2-CD1 3.74Å; W48-F70 AromaticContact CH2-CE1 3.93Å; W48-F70 HydrophobicContact CH2-CE1 3.93Å; W48-F70 HydrophobicContact CH2-CG 4.21Å; W48-F70 AromaticContact CZ3-CD1 3.75Å; W48-F70 HydrophobicContact CZ3-CD1 3.75Å; W48-F70 HydrophobicContact CZ3-CD2 4.14Å; W48-F70 AromaticContact CZ3-CE1 3.68Å; W48-F70 HydrophobicContact CZ3-CE1 3.68Å; W48-F70 HydrophobicContact CZ3-CE2 4.06Å; W48-F70 AromaticContact CZ3-CG 3.99Å; W48-F70 HydrophobicContact CZ3-CG 3.99Å; W48-F70 AromaticContact CZ3-CZ 3.83Å; W48-F70 HydrophobicContact CZ3-CZ 3.83Å; M49-F70 HydrophobicContact CG-CE2 4.48Å; N52-F70 HydrophobicContact CB-CE1 3.9Å; N52-F70 HydrophobicContact CB-CZ 4.23Å; V53-F70 HydrophobicContact CG2-CZ 4.06Å; Q68-F70 HydrophobicContact CB-CE2 4Å; F70-K74 CarbonylContact C-O 3.51Å; F70-K74 WeakPolarHBondContact CA-O 3.37Å; F70-Y75 HydrophobicContact CD1-CD2 4.07Å; F70-Y75 HydrophobicContact CD2-CD2 4.32Å; F70-Y75 AromaticContact CE1-CD2 3.57Å; F70-Y75 HydrophobicContact CE1-CD2 3.57Å; F70-Y75 HydrophobicContact CE1-CG 4.17Å; F70-Y75 AromaticContact CE2-CD2 3.85Å; F70-Y75 HydrophobicContact CE2-CD2 3.85Å; F70-Y75 HydrophobicContact CE2-CE2 4.22Å; F70-Y75 HydrophobicContact CG-CD2 4.43Å; F70-Y75 AromaticContact CZ-CD2 3.45Å; F70-Y75 HydrophobicContact CZ-CD2 3.45Å; F70-Y75 VanDerWaalsContact CZ-CD2 3.45Å; F70-Y75 HydrophobicContact CZ-CE2 4.08Å; F70-Y75 HydrophobicContact CZ-CG 4.43Å
71N97.8Very high96.8Very high14 Ų1454 Ų548%0.07529%0.29CS..EExtended strand (participates in β ladder)trans-103.8105.1161.6-175.9-9.2000107.1I3 E73 K74 L95I3-N71 HydrophobicContact CD1-CB 3.81Å; N71-E73 PolarHBondContact O-N 3.42Å; N71-K74 PolarHBondContact N-O 3.27Å; N71-K74 WeakPolarHBondContact O-CB 3.24Å; N71-K74 PolarHBondContact O-N 3.4Å; N71-L95 WeakPolarHBondContact CB-O 3.25Å; N71-L95 PolarHBondContact ND2-O 2.79Å
72E95.3Very high97.2Very high95 Ų9547.8 Ų47.844%0.44425%0.252SS..THydrogen-bonded Turntrans56-102.8-168-61.9173.9175.300111.8M1 V2M1-E72 WeakPolarHBondContact CA-OE1 3.31Å; M1-E72 PolarHBondContact N-OE1 3.15Å; V2-E72 PolarHBondContact O-N 3.47Å
73E95.7Very high97.5Very high150 Ų15048.9 Ų48.970%0.70124%0.24SC*.THydrogen-bonded Turntrans-104.8-11177-59.2-173.8150.300112.7W48 N71 Y75W48-E73 HydrophobicContact CZ2-CB 4.34Å; W48-E73 HydrophobicContact CZ2-CG 4.23Å; N71-E73 PolarHBondContact O-N 3.42Å; E73-Y75 PolarHBondContact O-N 2.85Å
74K97Very high97.7Very high145 Ų14549.6 Ų49.663%0.6324%0.244SC*.EExtended strand (participates in β ladder)trans-80.6123-178.2-178.3178.6176.1-176.40110F70 N71 C76F70-K74 CarbonylContact C-O 3.51Å; F70-K74 WeakPolarHBondContact CA-O 3.37Å; N71-K74 PolarHBondContact N-O 3.27Å; N71-K74 WeakPolarHBondContact O-CB 3.24Å; N71-K74 PolarHBondContact O-N 3.4Å; K74-C76 PolarHBondContact O-N 3.44Å
75Y98.3Very high97.8Very high38 Ų3849.7 Ų49.715%0.14925%0.245CC..EExtended strand (participates in β ladder)trans-65.3126.8172.9-173.2-117000111.2V53 P54 Q68 F70 E73 G77 N78V53-Y75 HydrophobicContact CG1-CE2 4.49Å; V53-Y75 HydrophobicContact CG2-CD2 4.43Å; V53-Y75 HydrophobicContact CG2-CE2 3.9Å; P54-Y75 HydrophobicContact CG-CD1 3.51Å; P54-Y75 HydrophobicContact CG-CE1 4.21Å; P54-Y75 HydrophobicContact CG-CG 3.91Å; Q68-Y75 PolarHBondContact OE1-OH 2.79Å; F70-Y75 HydrophobicContact CD1-CD2 4.07Å; F70-Y75 HydrophobicContact CD2-CD2 4.32Å; F70-Y75 AromaticContact CE1-CD2 3.57Å; F70-Y75 HydrophobicContact CE1-CD2 3.57Å; F70-Y75 HydrophobicContact CE1-CG 4.17Å; F70-Y75 AromaticContact CE2-CD2 3.85Å; F70-Y75 HydrophobicContact CE2-CD2 3.85Å; F70-Y75 HydrophobicContact CE2-CE2 4.22Å; F70-Y75 HydrophobicContact CG-CD2 4.43Å; F70-Y75 AromaticContact CZ-CD2 3.45Å; F70-Y75 HydrophobicContact CZ-CD2 3.45Å; F70-Y75 VanDerWaalsContact CZ-CD2 3.45Å; F70-Y75 HydrophobicContact CZ-CE2 4.08Å; F70-Y75 HydrophobicContact CZ-CG 4.43Å; E73-Y75 PolarHBondContact O-N 2.85Å; Y75-G77 VanDerWaalsContact CZ-CA 3.45Å; Y75-G77 VanDerWaalsContact OH-C 3.3Å; Y75-N78 PolarHBondContact OH-N 2.97Å; Y75-N78 VanDerWaalsContact OH-N 3.16Å
76C98.3Very high97.7Very high23 Ų2348.7 Ų48.716%0.15523%0.234CC..EExtended strand (participates in β ladder)trans-95.1-50.7172.9-66.10000110.4I69 K74 F94I69-C76 HydrophobicContact CB-CB 4.27Å; I69-C76 HydrophobicContact CG2-CB 4.03Å; I69-C76 WeakPolarHBondContact O-CB 3.42Å; I69-C76 PolarHBondContact O-N 3.25Å; K74-C76 PolarHBondContact O-N 3.44Å; C76-F94 VanDerWaalsContact C-CE2 3.47Å; C76-F94 HydrophobicContact CB-CD1 4.47Å; C76-F94 HydrophobicContact CB-CE1 3.98Å; C76-F94 HydrophobicContact CB-CE2 4.21Å; C76-F94 HydrophobicContact CB-CZ 3.84Å; C76-F94 WeakPolarHBondContact CB-O 3.41Å; C76-F94 WeakPolarHBondContact O-CE2 3.31Å; C76-F94 PolarHBondContact SG-O 2.93Å; C76-F94 VanDerWaalsContact SG-O 3.41Å
77G98.3Very high97.6Very high3 Ų354.2 Ų54.23%0.03126%0.259CS..EExtended strand (participates in β ladder)trans161.7178-179.900000114.6I69 Y75I69-G77 PolarHBondContact N-O 3.5Å; I69-G77 PolarHBondContact O-N 3.48Å; Y75-G77 VanDerWaalsContact CZ-CA 3.45Å; Y75-G77 VanDerWaalsContact OH-C 3.3Å
78N98.2Very high97.4Very high41 Ų4160.3 Ų60.322%0.21929%0.291CS..EExtended strand (participates in β ladder)trans-86.5-172.5170.968.17000110.7Y75 E80 A81 F82Y75-N78 PolarHBondContact OH-N 2.97Å; Y75-N78 VanDerWaalsContact OH-N 3.16Å; N78-E80 PolarHBondContact O-N 2.87Å; N78-E80 PolarHBondContact OD1-N 3.31Å; N78-E80 VanDerWaalsContact OD1-N 3.11Å; N78-A81 PolarHBondContact OD1-N 3.02Å; N78-F82 PolarHBondContact O-N 3.17Å; N78-F82 VanDerWaalsContact O-N 3.14Å
79Y98.3Very high97.1Very high47 Ų4763.8 Ų63.818%0.18431%0.31CS..Hα-helixtrans-60.1-41.1176.3-179.8-100.4000113.8Q19 D22 V23 P67 F82 F83Q19-Y79 HydrophobicContact CB-CD1 4.24Å; Q19-Y79 HydrophobicContact CB-CD2 3.53Å; Q19-Y79 HydrophobicContact CB-CE1 4.5Å; Q19-Y79 HydrophobicContact CB-CE2 3.81Å; Q19-Y79 HydrophobicContact CB-CG 3.75Å; Q19-Y79 HydrophobicContact CG-CD1 3.64Å; Q19-Y79 HydrophobicContact CG-CD2 3.83Å; Q19-Y79 HydrophobicContact CG-CE1 3.72Å; Q19-Y79 HydrophobicContact CG-CE2 3.89Å; Q19-Y79 HydrophobicContact CG-CG 3.68Å; D22-Y79 HydrophobicContact CB-CE2 4.24Å; D22-Y79 PolarHBondContact OD2-OH 3.22Å; V23-Y79 HydrophobicContact CG2-CD2 3.85Å; V23-Y79 HydrophobicContact CG2-CE2 4.34Å; P67-Y79 HydrophobicContact CG-CD2 4.16Å; P67-Y79 HydrophobicContact CG-CG 4.45Å; Y79-F82 HydrophobicContact CD2-CD1 4.47Å; Y79-F82 HydrophobicContact CE2-CD1 4.48Å; Y79-F82 WeakPolarHBondContact O-CB 3.33Å; Y79-F82 PolarHBondContact O-N 3.14Å; Y79-F83 HydrophobicContact CE1-CB 4.36Å; Y79-F83 WeakPolarHBondContact O-CB 3.44Å; Y79-F83 PolarHBondContact O-N 3.44Å
80E97.6Very high97Very high132 Ų13265.3 Ų65.362%0.61732%0.323SS*.Hα-helixtrans-64.4-46.8-177.8-66.2178.8149.500110.7N78 F82 F83 D84N78-E80 PolarHBondContact O-N 2.87Å; N78-E80 PolarHBondContact OD1-N 3.31Å; N78-E80 VanDerWaalsContact OD1-N 3.11Å; E80-F82 VanDerWaalsContact C-N 3.29Å; E80-F82 PolarHBondContact O-N 3.09Å; E80-F83 WeakPolarHBondContact O-CB 3.31Å; E80-F83 PolarHBondContact O-N 3.34Å; E80-D84 PolarHBondContact O-N 3.16Å
81A98.1Very high96.9Very high34 Ų3465.5 Ų65.528%0.28132%0.324SS..Hα-helixtrans-61.2-37.6175.600000112.6N78 A85 F94N78-A81 PolarHBondContact OD1-N 3.02Å; A81-A85 WeakPolarHBondContact O-CB 3.44Å; A81-A85 PolarHBondContact O-N 2.78Å; A81-F94 HydrophobicContact CB-CE2 3.74Å; A81-F94 HydrophobicContact CB-CZ 4.44Å
82F98.5Very high96.8Very high0 Ų066.1 Ų66.10%033%0.326CS..Hα-helixtrans-65-42.2172.7167-95.6000112.2V23 F26 I69 N78 Y79 E80 A85 R86 V91 F94V23-F82 HydrophobicContact CG2-CD1 3.68Å; V23-F82 HydrophobicContact CG2-CE1 3.9Å; V23-F82 HydrophobicContact CG2-CG 4.07Å; V23-F82 HydrophobicContact CG2-CZ 4.46Å; F26-F82 HydrophobicContact CB-CE2 4.43Å; F26-F82 HydrophobicContact CB-CZ 3.68Å; F26-F82 AromaticContact CD1-CE2 3.88Å; F26-F82 HydrophobicContact CD1-CE2 3.88Å; F26-F82 AromaticContact CD1-CZ 3.91Å; F26-F82 HydrophobicContact CD1-CZ 3.91Å; F26-F82 HydrophobicContact CD2-CZ 4.24Å; F26-F82 HydrophobicContact CE1-CE2 4.42Å; F26-F82 HydrophobicContact CG-CE2 4.14Å; F26-F82 AromaticContact CG-CZ 3.67Å; F26-F82 HydrophobicContact CG-CZ 3.67Å; I69-F82 HydrophobicContact CD1-CB 3.71Å; I69-F82 HydrophobicContact CD1-CD2 4.08Å; I69-F82 HydrophobicContact CD1-CG 4.04Å; N78-F82 PolarHBondContact O-N 3.17Å; N78-F82 VanDerWaalsContact O-N 3.14Å; Y79-F82 HydrophobicContact CD2-CD1 4.47Å; Y79-F82 HydrophobicContact CE2-CD1 4.48Å; Y79-F82 WeakPolarHBondContact O-CB 3.33Å; Y79-F82 PolarHBondContact O-N 3.14Å; E80-F82 VanDerWaalsContact C-N 3.29Å; E80-F82 PolarHBondContact O-N 3.09Å; F82-A85 PolarHBondContact O-N 2.81Å; F82-R86 WeakPolarHBondContact O-CB 3.31Å; F82-R86 PolarHBondContact O-N 3.05Å; F82-V91 HydrophobicContact CD2-CG1 4.14Å; F82-V91 HydrophobicContact CE2-CG1 3.76Å; F82-F94 HydrophobicContact CB-CE1 3.9Å; F82-F94 HydrophobicContact CB-CZ 3.95Å; F82-F94 HydrophobicContact CD2-CD1 4.36Å; F82-F94 HydrophobicContact CD2-CE1 4.05Å; F82-F94 HydrophobicContact CG-CE1 4.5Å
83F98Very high96.9Very high84 Ų8464.2 Ų64.237%0.36833%0.326SS..Hα-helixtrans-63.5-47.3178.3-178.6-94.1000111.1Y79 E80 A85 R86 E87Y79-F83 HydrophobicContact CE1-CB 4.36Å; Y79-F83 WeakPolarHBondContact O-CB 3.44Å; Y79-F83 PolarHBondContact O-N 3.44Å; E80-F83 WeakPolarHBondContact O-CB 3.31Å; E80-F83 PolarHBondContact O-N 3.34Å; F83-A85 PolarHBondContact O-N 2.65Å; F83-R86 WeakPolarHBondContact O-CA 3.23Å; F83-R86 WeakPolarHBondContact O-CB 3.41Å; F83-R86 PolarHBondContact O-N 3.14Å; F83-E87 HydrophobicContact CD1-CG 4.27Å; F83-E87 HydrophobicContact CE1-CG 3.8Å; F83-E87 HydrophobicContact CZ-CG 4Å; F83-E87 PolarHBondContact O-N 3.34Å
84D97.9Very high96.9Very high95 Ų9558.8 Ų58.851%0.50830%0.3SS..Hα-helixtrans-59.4-46.3176.5-66.6-17.8000111E80 R86 E87 D88E80-D84 PolarHBondContact O-N 3.16Å; D84-R86 PolarHBondContact O-N 2.86Å; D84-E87 PolarHBondContact O-N 2.99Å; D84-D88 PolarHBondContact O-N 3.23Å
85A97.4Very high97Very high12 Ų1251.9 Ų51.910%0.09927%0.27CS..Hα-helixtrans-61-31.8175.400000112.8A81 F82 F83 N89 A90 V91 F94A81-A85 WeakPolarHBondContact O-CB 3.44Å; A81-A85 PolarHBondContact O-N 2.78Å; F82-A85 PolarHBondContact O-N 2.81Å; F83-A85 PolarHBondContact O-N 2.65Å; A85-N89 PolarHBondContact O-N 3.47Å; A85-A90 CarbonylContact O-C 3.58Å; A85-A90 PolarHBondContact O-N 3.04Å; A85-V91 HydrophobicContact CB-CG2 4.48Å; A85-V91 PolarHBondContact O-N 3.11Å; A85-F94 HydrophobicContact CB-CB 3.57Å; A85-F94 HydrophobicContact CB-CD2 4.16Å; A85-F94 HydrophobicContact CB-CG 3.84Å
86R94.9Very high96.8Very high92 Ų9251.7 Ų51.735%0.34728%0.279SS..Hα-helixtrans-71.3-43.6176.8-174.7-179.8176.3176.61.2111.9D22 F26 F82 F83 D84 D88 N89 V91D22-R86 VanDerWaalsContact CG-NH1 3.3Å; D22-R86 IonicContact OD1-CZ 3.82Å; D22-R86 IonicContact OD1-NH1 3.93Å; D22-R86 PolarHBondContact OD1-NH1 2.96Å; D22-R86 IonicContact OD2-NH1 2.81Å; D22-R86 PolarHBondContact OD2-NH1 3.3Å; F26-R86 HydrophobicContact CE2-CG 4.38Å; F82-R86 WeakPolarHBondContact O-CB 3.31Å; F82-R86 PolarHBondContact O-N 3.05Å; F83-R86 WeakPolarHBondContact O-CA 3.23Å; F83-R86 WeakPolarHBondContact O-CB 3.41Å; F83-R86 PolarHBondContact O-N 3.14Å; D84-R86 PolarHBondContact O-N 2.86Å; R86-D88 VanDerWaalsContact C-N 3.26Å; R86-D88 PolarHBondContact O-N 3.07Å; R86-N89 PolarHBondContact O-N 3.45Å; R86-N89 VanDerWaalsContact O-N 3.15Å; R86-V91 HydrophobicContact CB-CG2 3.79Å; R86-V91 HydrophobicContact CG-CG2 4.3Å
87E95.2Very high96.7Very high124 Ų12452.4 Ų52.458%0.57928%0.282SS*.Hα-helixtrans-61.2-38.1175.1-67.4-62.6113.900111.1F83 D84 N89F83-E87 HydrophobicContact CD1-CG 4.27Å; F83-E87 HydrophobicContact CE1-CG 3.8Å; F83-E87 HydrophobicContact CZ-CG 4Å; F83-E87 PolarHBondContact O-N 3.34Å; D84-E87 PolarHBondContact O-N 2.99Å; E87-N89 VanDerWaalsContact C-N 3.26Å; E87-N89 PolarHBondContact O-N 3.15Å; E87-N89 PolarHBondContact O-ND2 3.42Å
88D94.1Very high96.5Very high128 Ų12858.5 Ų58.568%0.68432%0.318SS*.THydrogen-bonded Turntrans-79.3-0.7177.7-75.3-21.1000114.6D84 R86 A90D84-D88 PolarHBondContact O-N 3.23Å; R86-D88 VanDerWaalsContact C-N 3.26Å; R86-D88 PolarHBondContact O-N 3.07Å; D88-A90 HydrophobicContact CB-CB 4.2Å; D88-A90 PolarHBondContact O-N 3.25Å
89N92.9Very high96.3Very high82 Ų8256.8 Ų56.844%0.43931%0.31SS..THydrogen-bonded Turntrans51.543.2-171.9-58.5-99.3000112.1A85 R86 E87 E105A85-N89 PolarHBondContact O-N 3.47Å; R86-N89 PolarHBondContact O-N 3.45Å; R86-N89 VanDerWaalsContact O-N 3.15Å; E87-N89 VanDerWaalsContact C-N 3.26Å; E87-N89 PolarHBondContact O-N 3.15Å; E87-N89 PolarHBondContact O-ND2 3.42Å; N89-E105 WeakPolarHBondContact O-CB 3.49Å; N89-E105 WeakPolarHBondContact O-CG 3.43Å
90A96.1Very high96Very high32 Ų3257 Ų5726%0.26432%0.317SS..  trans-125.324.4-175.600000112.6A85 D88 Y92 A93 F94 E105A85-A90 CarbonylContact O-C 3.58Å; A85-A90 PolarHBondContact O-N 3.04Å; D88-A90 HydrophobicContact CB-CB 4.2Å; D88-A90 PolarHBondContact O-N 3.25Å; A90-Y92 PolarHBondContact O-N 3.44Å; A90-A93 PolarHBondContact O-N 3.24Å; A90-F94 WeakPolarHBondContact O-CB 3.41Å; A90-F94 PolarHBondContact O-N 3.03Å; A90-E105 VanDerWaalsContact C-OE2 3.25Å; A90-E105 VanDerWaalsContact CA-CD 3.45Å; A90-E105 WeakPolarHBondContact CA-OE2 3.5Å
91V96.8Very high95.6Very high5 Ų557 Ų573%0.0333%0.328CS..Hα-helixtrans-66.8-36.7-174.2-1750000111.9F26 F82 A85 R86 F94 L95 E105F26-V91 HydrophobicContact CD1-CG1 4.16Å; F26-V91 HydrophobicContact CE1-CB 3.97Å; F26-V91 HydrophobicContact CE1-CG1 3.41Å; F26-V91 VanDerWaalsContact CE1-CG1 3.41Å; F26-V91 HydrophobicContact CE1-CG2 4.28Å; F26-V91 HydrophobicContact CE2-CG2 4.34Å; F26-V91 HydrophobicContact CZ-CB 3.83Å; F26-V91 HydrophobicContact CZ-CG1 3.8Å; F26-V91 HydrophobicContact CZ-CG2 3.81Å; F82-V91 HydrophobicContact CD2-CG1 4.14Å; F82-V91 HydrophobicContact CE2-CG1 3.76Å; A85-V91 HydrophobicContact CB-CG2 4.48Å; A85-V91 PolarHBondContact O-N 3.11Å; R86-V91 HydrophobicContact CB-CG2 3.79Å; R86-V91 HydrophobicContact CG-CG2 4.3Å; V91-F94 WeakPolarHBondContact O-CB 3.34Å; V91-F94 PolarHBondContact O-N 2.86Å; V91-L95 HydrophobicContact CG1-CD1 3.94Å; V91-L95 HydrophobicContact CG1-CG 4.19Å; V91-L95 WeakPolarHBondContact O-CB 3.34Å; V91-L95 VanDerWaalsContact O-CG 3.25Å; V91-L95 WeakPolarHBondContact O-CG 3.43Å; V91-L95 PolarHBondContact O-N 3.48Å; V91-E105 PolarHBondContact N-OE2 3.45Å; V91-E105 VanDerWaalsContact N-OE2 3.07Å
92Y96.4Very high95.1Very high27 Ų2758.4 Ų58.411%0.10635%0.346CS..Hα-helixtrans-66.4-43.5179-69-91.7000110.3N30 I32 A90 F94 L95 G96 L97 A99 P100 E105N30-Y92 PolarHBondContact OD1-OH 3.07Å; I32-Y92 HydrophobicContact CD1-CD1 4.3Å; I32-Y92 HydrophobicContact CD1-CE1 3.72Å; I32-Y92 HydrophobicContact CG1-CE1 4.04Å; A90-Y92 PolarHBondContact O-N 3.44Å; Y92-F94 PolarHBondContact O-N 2.59Å; Y92-L95 CarbonylContact O-C 3.53Å; Y92-L95 PolarHBondContact O-N 3.06Å; Y92-G96 PolarHBondContact O-N 3.38Å; Y92-G96 VanDerWaalsContact O-N 3.08Å; Y92-L97 CarbonylContact C-O 3.36Å; Y92-L97 HydrophobicContact CD1-CB 4.26Å; Y92-L97 PolarHBondContact O-N 2.98Å; Y92-L97 VanDerWaalsContact O-O 3.12Å; Y92-A99 HydrophobicContact CD2-CB 4.22Å; Y92-A99 HydrophobicContact CG-CB 4.12Å; Y92-P100 HydrophobicContact CE1-CG 4.03Å; Y92-P100 HydrophobicContact CE2-CG 4.18Å; Y92-E105 WeakPolarHBondContact CD2-OE2 3.48Å; Y92-E105 PolarHBondContact N-OE1 3.06Å; Y92-E105 PolarHBondContact N-OE2 3.42Å
93A96.2Very high94.7Very high54 Ų5459.6 Ų59.645%0.44635%0.354SS..Hα-helixtrans-60.3-43172.600000112.6A90 L95 G96 E105A90-A93 PolarHBondContact O-N 3.24Å; A93-L95 VanDerWaalsContact C-N 3.31Å; A93-L95 PolarHBondContact O-N 3.12Å; A93-G96 WeakPolarHBondContact O-CA 3.5Å; A93-G96 PolarHBondContact O-N 3.5Å; A93-E105 VanDerWaalsContact CB-OE1 3.32Å; A93-E105 WeakPolarHBondContact CB-OE1 3.41Å; A93-E105 PolarHBondContact N-OE1 2.92Å
94F97.5Very high94.3Very high36 Ų3662.9 Ų62.916%0.15837%0.369CS..Hα-helixtrans-57.4-43.3174.1165.1-96.5000112.2I69 C76 A81 F82 A85 A90 V91 Y92 G96I69-F94 HydrophobicContact CB-CE1 4.43Å; I69-F94 HydrophobicContact CD1-CE1 3.82Å; I69-F94 HydrophobicContact CD1-CZ 4.04Å; I69-F94 HydrophobicContact CG2-CE1 4.3Å; C76-F94 VanDerWaalsContact C-CE2 3.47Å; C76-F94 HydrophobicContact CB-CD1 4.47Å; C76-F94 HydrophobicContact CB-CE1 3.98Å; C76-F94 HydrophobicContact CB-CE2 4.21Å; C76-F94 HydrophobicContact CB-CZ 3.84Å; C76-F94 WeakPolarHBondContact CB-O 3.41Å; C76-F94 WeakPolarHBondContact O-CE2 3.31Å; C76-F94 PolarHBondContact SG-O 2.93Å; C76-F94 VanDerWaalsContact SG-O 3.41Å; A81-F94 HydrophobicContact CB-CE2 3.74Å; A81-F94 HydrophobicContact CB-CZ 4.44Å; F82-F94 HydrophobicContact CB-CE1 3.9Å; F82-F94 HydrophobicContact CB-CZ 3.95Å; F82-F94 HydrophobicContact CD2-CD1 4.36Å; F82-F94 HydrophobicContact CD2-CE1 4.05Å; F82-F94 HydrophobicContact CG-CE1 4.5Å; A85-F94 HydrophobicContact CB-CB 3.57Å; A85-F94 HydrophobicContact CB-CD2 4.16Å; A85-F94 HydrophobicContact CB-CG 3.84Å; A90-F94 WeakPolarHBondContact O-CB 3.41Å; A90-F94 PolarHBondContact O-N 3.03Å; V91-F94 WeakPolarHBondContact O-CB 3.34Å; V91-F94 PolarHBondContact O-N 2.86Å; Y92-F94 PolarHBondContact O-N 2.59Å; F94-G96 PolarHBondContact O-N 3.16Å
95L97.4Very high94Very high1 Ų158.9 Ų58.91%0.00535%0.347CS..THydrogen-bonded Turntrans-74.1-5175.5-64.2175.2000113I3 L27 I32 I69 N71 V91 Y92 A93 L97I3-L95 HydrophobicContact CD1-CB 3.95Å; I3-L95 HydrophobicContact CD1-CD2 4.21Å; I3-L95 HydrophobicContact CG2-CD2 4.16Å; L27-L95 HydrophobicContact CD2-CD1 3.62Å; I32-L95 HydrophobicContact CD1-CD1 3.88Å; I69-L95 HydrophobicContact CG2-CD2 3.58Å; N71-L95 WeakPolarHBondContact CB-O 3.25Å; N71-L95 PolarHBondContact ND2-O 2.79Å; V91-L95 HydrophobicContact CG1-CD1 3.94Å; V91-L95 HydrophobicContact CG1-CG 4.19Å; V91-L95 WeakPolarHBondContact O-CB 3.34Å; V91-L95 VanDerWaalsContact O-CG 3.25Å; V91-L95 WeakPolarHBondContact O-CG 3.43Å; V91-L95 PolarHBondContact O-N 3.48Å; Y92-L95 CarbonylContact O-C 3.53Å; Y92-L95 PolarHBondContact O-N 3.06Å; A93-L95 VanDerWaalsContact C-N 3.31Å; A93-L95 PolarHBondContact O-N 3.12Å; L95-L97 VanDerWaalsContact C-N 3.27Å; L95-L97 HydrophobicContact CB-CD1 3.95Å; L95-L97 HydrophobicContact CB-CG 3.87Å; L95-L97 HydrophobicContact CD1-CD1 4.15Å; L95-L97 PolarHBondContact O-N 3.49Å
96G95.8Very high93.7Very high33 Ų3359.2 Ų59.234%0.3435%0.35SS..THydrogen-bonded Turntrans66.927.9-173.800000113.4Y92 A93 F94Y92-G96 PolarHBondContact O-N 3.38Å; Y92-G96 VanDerWaalsContact O-N 3.08Å; A93-G96 WeakPolarHBondContact O-CA 3.5Å; A93-G96 PolarHBondContact O-N 3.5Å; F94-G96 PolarHBondContact O-N 3.16Å
97L95.1Very high93.4Very high39 Ų3959.6 Ų59.620%0.20436%0.356CS..  trans-105.7157.5178.6-58.6179.9000110.7M1 I3 I32 Y92 L95M1-L97 HydrophobicContact CB-CD2 4.2Å; M1-L97 HydrophobicContact SD-CD2 3.94Å; I3-L97 HydrophobicContact CD1-CD1 4.17Å; I3-L97 HydrophobicContact CD1-CD2 4.32Å; I3-L97 HydrophobicContact CD1-CG 4.28Å; I3-L97 HydrophobicContact CG1-CD1 4.15Å; I32-L97 HydrophobicContact CG2-CD1 3.81Å; Y92-L97 CarbonylContact C-O 3.36Å; Y92-L97 HydrophobicContact CD1-CB 4.26Å; Y92-L97 PolarHBondContact O-N 2.98Å; Y92-L97 VanDerWaalsContact O-O 3.12Å; L95-L97 VanDerWaalsContact C-N 3.27Å; L95-L97 HydrophobicContact CB-CD1 3.95Å; L95-L97 HydrophobicContact CB-CG 3.87Å; L95-L97 HydrophobicContact CD1-CD1 4.15Å; L95-L97 PolarHBondContact O-N 3.49Å
98T93.8Very high93.1Very high130 Ų13056 Ų5680%0.79835%0.346SS*.PPolyproline II helixtrans-78.9126.6168.9-53.70000109.4
99A93.8Very high92.7Very high6 Ų653.9 Ų53.95%0.0533%0.333CS..PPolyproline II helixtrans-61.9135.5175.200000110.6Y92 E105 A106Y92-A99 HydrophobicContact CD2-CB 4.22Å; Y92-A99 HydrophobicContact CG-CB 4.12Å; A99-E105 HydrophobicContact CB-CB 3.87Å; A99-E105 HydrophobicContact CB-CG 3.81Å; A99-A106 HydrophobicContact CB-CB 3.97Å
100P92Very high92.4Very high52 Ų5252.4 Ų52.434%0.33833%0.332SS..PPolyproline II helixtrans-65.8144.4-177.422.5-29.4000110.8Y92 G102 S103 A106Y92-P100 HydrophobicContact CE1-CG 4.03Å; Y92-P100 HydrophobicContact CE2-CG 4.18Å; P100-G102 PolarHBondContact O-N 3.3Å; P100-S103 VanDerWaalsContact O-CB 3.28Å; P100-S103 WeakPolarHBondContact O-CB 3.46Å; P100-S103 PolarHBondContact O-N 3.44Å; P100-S103 PolarHBondContact O-OG 3.39Å; P100-A106 WeakPolarHBondContact O-CB 3.38Å
101P90.3Very high91.8Very high131 Ų13157 Ų5785%0.85135%0.346SS*.THydrogen-bonded Turntrans-55.1135.5177.4-25.133.9000111.9S103P101-S103 VanDerWaalsContact C-N 3.27Å; P101-S103 PolarHBondContact O-N 2.88Å
102G87.6Confident91.1Very high64 Ų6464.4 Ų64.466%0.6638%0.377SS*.THydrogen-bonded Turntrans79.71.3-177.100000114.9P100P100-G102 PolarHBondContact O-N 3.3Å
103S89.9Confident90.2Very high24 Ų2467.2 Ų67.217%0.16841%0.406CS..SBendtrans-74.3151.7164.965.10000111.1P100 P101 E105 A106 E107P100-S103 VanDerWaalsContact O-CB 3.28Å; P100-S103 WeakPolarHBondContact O-CB 3.46Å; P100-S103 PolarHBondContact O-N 3.44Å; P100-S103 PolarHBondContact O-OG 3.39Å; P101-S103 VanDerWaalsContact C-N 3.27Å; P101-S103 PolarHBondContact O-N 2.88Å; S103-E105 PolarHBondContact O-N 3.39Å; S103-A106 PolarHBondContact O-N 3.24Å; S103-A106 VanDerWaalsContact O-N 3.15Å; S103-A106 WeakPolarHBondContact OG-CB 3.24Å; S103-A106 PolarHBondContact OG-N 3.32Å; S103-E107 WeakPolarHBondContact O-CG 2.8Å; S103-E107 PolarHBondContact O-N 3.13Å
104K88.4Confident89Confident153 Ų15372.5 Ų72.567%0.66542%0.422SS*.Hα-helixtrans-53.1-38.6174.5-69.8-174.9178.1179.60112.3A108K104-A108 WeakPolarHBondContact O-CB 3.48Å; K104-A108 PolarHBondContact O-N 2.93Å
105E91.4Very high87Confident11 Ų1181.2 Ų81.25%0.05146%0.463CS..Hα-helixtrans-65.4-48.6178.6-173.5170.5161.500111.8N89 A90 V91 Y92 A93 A99 S103 E107 A108 Q109N89-E105 WeakPolarHBondContact O-CB 3.49Å; N89-E105 WeakPolarHBondContact O-CG 3.43Å; A90-E105 VanDerWaalsContact C-OE2 3.25Å; A90-E105 VanDerWaalsContact CA-CD 3.45Å; A90-E105 WeakPolarHBondContact CA-OE2 3.5Å; V91-E105 PolarHBondContact N-OE2 3.45Å; V91-E105 VanDerWaalsContact N-OE2 3.07Å; Y92-E105 WeakPolarHBondContact CD2-OE2 3.48Å; Y92-E105 PolarHBondContact N-OE1 3.06Å; Y92-E105 PolarHBondContact N-OE2 3.42Å; A93-E105 VanDerWaalsContact CB-OE1 3.32Å; A93-E105 WeakPolarHBondContact CB-OE1 3.41Å; A93-E105 PolarHBondContact N-OE1 2.92Å; A99-E105 HydrophobicContact CB-CB 3.87Å; A99-E105 HydrophobicContact CB-CG 3.81Å; S103-E105 PolarHBondContact O-N 3.39Å; E105-E107 VanDerWaalsContact C-N 3.3Å; E105-E107 PolarHBondContact O-N 3.11Å; E105-A108 PolarHBondContact O-N 3.38Å; E105-Q109 WeakPolarHBondContact O-CG 3.31Å; E105-Q109 PolarHBondContact O-N 3.11Å; E105-Q109 PolarHBondContact OE1-NE2 2.95Å
106A91.4Very high86.5Confident19 Ų1985.3 Ų85.316%0.15749%0.486CS..Hα-helixtrans-60.9-40.2177.800000111.9A99 P100 S103 Q109 A110A99-A106 HydrophobicContact CB-CB 3.97Å; P100-A106 WeakPolarHBondContact O-CB 3.38Å; S103-A106 PolarHBondContact O-N 3.24Å; S103-A106 VanDerWaalsContact O-N 3.15Å; S103-A106 WeakPolarHBondContact OG-CB 3.24Å; S103-A106 PolarHBondContact OG-N 3.32Å; A106-Q109 PolarHBondContact O-N 3.3Å; A106-A110 WeakPolarHBondContact O-CB 3.42Å; A106-A110 PolarHBondContact O-N 3.4Å
107E90.3Very high86Confident101 Ų10188 Ų8847%0.47249%0.494SS..Hα-helixtrans-64-41.6175.2-69.4179.6-176.800112.4S103 E105 A110 K111S103-E107 WeakPolarHBondContact O-CG 2.8Å; S103-E107 PolarHBondContact O-N 3.13Å; E105-E107 VanDerWaalsContact C-N 3.3Å; E105-E107 PolarHBondContact O-N 3.11Å; E107-A110 PolarHBondContact O-N 3.36Å; E107-K111 WeakPolarHBondContact O-CG 3.37Å; E107-K111 PolarHBondContact O-N 3.36Å; E107-K111 VanDerWaalsContact O-N 3.1Å
108A87.7Confident85.5Confident47 Ų4790.7 Ų90.739%0.38851%0.51SS..Hα-helixtrans-65.5-40.9177.600000111.9K104 E105 K111 K112K104-A108 WeakPolarHBondContact O-CB 3.48Å; K104-A108 PolarHBondContact O-N 2.93Å; E105-A108 PolarHBondContact O-N 3.38Å; A108-K111 PolarHBondContact O-N 3.5Å; A108-K112 WeakPolarHBondContact O-CG 3.43Å; A108-K112 PolarHBondContact O-N 3.34Å
109Q85.9Confident85Confident85 Ų8588.4 Ų88.440%0.39749%0.493SS..Hα-helixtrans-64.5-44.4176.1-70.9175.1-200111.7E105 A106 K111 K112 A113E105-Q109 WeakPolarHBondContact O-CG 3.31Å; E105-Q109 PolarHBondContact O-N 3.11Å; E105-Q109 PolarHBondContact OE1-NE2 2.95Å; A106-Q109 PolarHBondContact O-N 3.3Å; Q109-K111 VanDerWaalsContact C-N 3.33Å; Q109-K111 PolarHBondContact O-N 3.44Å; Q109-K112 PolarHBondContact O-N 3.16Å; Q109-A113 PolarHBondContact O-N 3.32Å; Q109-A113 VanDerWaalsContact O-N 3.13Å
110A85.9Confident84.4Confident50 Ų5093.6 Ų93.641%0.41352%0.52SS..Hα-helixtrans-61.3-39.7177.500000112.5A106 E107 A113 Q114A106-A110 WeakPolarHBondContact O-CB 3.42Å; A106-A110 PolarHBondContact O-N 3.4Å; E107-A110 PolarHBondContact O-N 3.36Å; A110-A113 PolarHBondContact O-N 3.05Å; A110-Q114 WeakPolarHBondContact O-CG 3.43Å
111K84.9Confident83.9Confident130 Ų13096.3 Ų96.357%0.56553%0.533SS*.Hα-helixtrans-65.8-37.7176.6-74170.8179.2171.60112.9E107 A108 Q109E107-K111 WeakPolarHBondContact O-CG 3.37Å; E107-K111 PolarHBondContact O-N 3.36Å; E107-K111 VanDerWaalsContact O-N 3.1Å; A108-K111 PolarHBondContact O-N 3.5Å; Q109-K111 VanDerWaalsContact C-N 3.33Å; Q109-K111 PolarHBondContact O-N 3.44Å
112K80.8Confident83.5Confident159 Ų15993.9 Ų93.969%0.69151%0.51SS*.Hα-helixtrans-69.7-35.2177.9-73.2-179.7-178.1-1790112.6A108 Q109 Q114 Q115A108-K112 WeakPolarHBondContact O-CG 3.43Å; A108-K112 PolarHBondContact O-N 3.34Å; Q109-K112 PolarHBondContact O-N 3.16Å; K112-Q114 PolarHBondContact O-N 3.33Å; K112-Q115 PolarHBondContact O-N 3.39Å
113A78.2Confident83.2Confident86 Ų8696.2 Ų96.271%0.71150%0.498SS*.THydrogen-bonded Turntrans-72.4-11.2179.600000114.1Q109 A110Q109-A113 PolarHBondContact O-N 3.32Å; Q109-A113 VanDerWaalsContact O-N 3.13Å; A110-A113 PolarHBondContact O-N 3.05Å
114Q71Confident82.6Confident165 Ų165102.2 Ų102.277%0.77153%0.526SS*.THydrogen-bonded Turntrans-98.9-0.7179.3-68.4175.2-3.700113.3A110 K112A110-Q114 WeakPolarHBondContact O-CG 3.43Å; K112-Q114 PolarHBondContact O-N 3.33Å
115Q55.4Low82.1Confident220 Ų22097.5 Ų97.5100%1.02851%0.513SS*.  trans-1030175.6-66.9179.79.300110.1K112K112-Q115 PolarHBondContact O-N 3.39Å

Retrieved 115 of 115 residues in 110.9 ms (Link to these results)

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