A0A087WQU5_MOUSE Loading...

SH3 domain-binding glutamic acid-rich-like protein

AlphaFold DB , UniProt , Accession A0A087WQU5, Species MOUSE (Mus musculus, Mouse), Gene Sh3bgrl2, Length 93 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
1M67.1Low86.7Confident208 Ų20850.4 Ų50.4100%1.02529%0.288SS*.  0132.40-79.1-175.5-171.700107.2N71M1-N71 WeakPolarHBondContact CB-OD1 3.28Å
2V85.9Confident86.1Confident82 Ų8252.6 Ų52.650%0.49733%0.33SS..  trans-116.1134.4-175.5179.20000108.8E35 G72V2-E35 HydrophobicContact CG1-CB 4.45Å; V2-G72 PolarHBondContact O-N 3.44Å
3V91.1Very high85.9Confident20 Ų2059.5 Ų59.512%0.12135%0.353CS..EExtended strand (participates in β ladder)trans-78.6124.1174.1178.40000108.5V5 L27 I32 F34 E35 I69 F70 N71V3-V5 HydrophobicContact CG1-CG2 4.33Å; V3-L27 HydrophobicContact CG1-CD1 4.36Å; V3-I32 HydrophobicContact CG2-CG2 4.05Å; V3-F34 HydrophobicContact CB-CB 3.9Å; V3-F34 HydrophobicContact CG1-CB 4.04Å; V3-F34 CarbonylContact O-C 3.44Å; V3-F34 WeakPolarHBondContact O-CA 3.33Å; V3-F34 WeakPolarHBondContact O-CB 3.47Å; V3-E35 PolarHBondContact O-N 2.98Å; V3-I69 HydrophobicContact CG1-CG2 3.84Å; V3-F70 CarbonylContact C-O 3.6Å; V3-F70 WeakPolarHBondContact CA-O 3.42Å; V3-N71 HydrophobicContact CG2-CB 4.46Å
4R93.5Very high85.8Confident49 Ų4962.2 Ų62.219%0.18537%0.37CS..EExtended strand (participates in β ladder)trans-109.4125.3175.4-69.6-178.1-73.7-178.9-4.9109.4F6 E35 V37 W48 I69 F70 G72 D73R4-F6 HydrophobicContact CB-CE2 3.94Å; R4-E35 CarbonylContact C-O 3.48Å; R4-E35 WeakPolarHBondContact CA-O 3.45Å; R4-E35 HydrophobicContact CG-CB 4.37Å; R4-V37 HydrophobicContact CB-CG2 4.4Å; R4-W48 VanDerWaalsContact NH2-CH2 3.29Å; R4-I69 WeakPolarHBondContact O-CA 3.35Å; R4-F70 HydrophobicContact CB-CB 4.48Å; R4-F70 PolarHBondContact N-O 3.2Å; R4-F70 PolarHBondContact O-N 3.44Å; R4-G72 PolarHBondContact NH2-O 3.4Å; R4-D73 IonicContact NH2-OD1 2.77Å
5V93.3Very high85.7Confident0 Ų062.5 Ų62.50%038%0.382CS..EExtended strand (participates in β ladder)trans-110.4105.1178.1-171.10000108V3 V7 V23 L27 F34 E35 E36 V37V3-V5 HydrophobicContact CG1-CG2 4.33Å; V5-V7 HydrophobicContact CG1-CG1 3.93Å; V5-V7 PolarHBondContact O-N 2.86Å; V5-V23 HydrophobicContact CG1-CG1 3.92Å; V5-V23 HydrophobicContact CG2-CG1 4.46Å; V5-L27 HydrophobicContact CG2-CD1 3.35Å; V5-F34 HydrophobicContact CB-CD2 4.48Å; V5-F34 HydrophobicContact CG2-CB 4.25Å; V5-F34 HydrophobicContact CG2-CD2 3.81Å; V5-F34 HydrophobicContact CG2-CG 4.27Å; V5-E35 PolarHBondContact N-O 2.98Å; V5-E36 WeakPolarHBondContact O-CA 3.38Å; V5-V37 PolarHBondContact O-N 2.91Å
6F93.7Very high85.8Confident0 Ų059.3 Ų59.30%036%0.362CS..EExtended strand (participates in β ladder)trans-79.4118.8176.4-67.2-97.4000109.4R4 V37 I39 Q45 W48 M49 P66 P67 Q68 F70R4-F6 HydrophobicContact CB-CE2 3.94Å; F6-V37 CarbonylContact C-O 3.58Å; F6-V37 VanDerWaalsContact CA-O 3.32Å; F6-V37 WeakPolarHBondContact CA-O 3.43Å; F6-V37 HydrophobicContact CD1-CB 3.89Å; F6-V37 HydrophobicContact CD1-CG1 3.79Å; F6-V37 HydrophobicContact CE1-CB 4.04Å; F6-V37 HydrophobicContact CE1-CG1 3.69Å; F6-V37 HydrophobicContact CE1-CG2 4.5Å; F6-V37 HydrophobicContact CG-CB 4.34Å; F6-V37 HydrophobicContact CZ-CG1 4.5Å; F6-I39 HydrophobicContact CB-CG2 4Å; F6-I39 HydrophobicContact CD1-CG2 3.65Å; F6-I39 HydrophobicContact CG-CG2 4.32Å; F6-Q45 HydrophobicContact CE1-CB 4.31Å; F6-W48 AromaticContact CE1-CE3 3.95Å; F6-W48 HydrophobicContact CE1-CE3 3.95Å; F6-W48 HydrophobicContact CE1-CZ3 4.4Å; F6-W48 HydrophobicContact CE2-CE3 4.01Å; F6-W48 AromaticContact CE2-CZ3 3.61Å; F6-W48 HydrophobicContact CE2-CZ3 3.61Å; F6-W48 HydrophobicContact CZ-CD2 4.4Å; F6-W48 AromaticContact CZ-CE3 3.31Å; F6-W48 HydrophobicContact CZ-CE3 3.31Å; F6-W48 HydrophobicContact CZ-CH2 4.49Å; F6-W48 AromaticContact CZ-CZ3 3.37Å; F6-W48 HydrophobicContact CZ-CZ3 3.37Å; F6-M49 HydrophobicContact CB-CG 4.13Å; F6-M49 HydrophobicContact CB-SD 3.49Å; F6-M49 WeakPolarHBondContact CB-SD 3.43Å; F6-M49 HydrophobicContact CD1-CB 3.89Å; F6-M49 HydrophobicContact CD1-CG 4.16Å; F6-M49 HydrophobicContact CD1-SD 4.28Å; F6-M49 HydrophobicContact CD2-CG 4.39Å; F6-M49 HydrophobicContact CE1-CB 4.15Å; F6-M49 HydrophobicContact CG-CB 4.21Å; F6-M49 HydrophobicContact CG-CG 3.96Å; F6-M49 HydrophobicContact CG-SD 3.97Å; F6-P66 WeakPolarHBondContact O-CB 3.47Å; F6-P67 VanDerWaalsContact O-CA 3.24Å; F6-P67 WeakPolarHBondContact O-CA 3.37Å; F6-Q68 HydrophobicContact CB-CB 4.18Å; F6-Q68 PolarHBondContact N-O 3.25Å; F6-Q68 PolarHBondContact O-N 2.83Å; F6-F70 AromaticContact CD2-CD2 3.55Å; F6-F70 HydrophobicContact CD2-CD2 3.55Å; F6-F70 AromaticContact CD2-CE2 3.97Å; F6-F70 HydrophobicContact CD2-CE2 3.97Å; F6-F70 HydrophobicContact CE2-CB 4.33Å; F6-F70 AromaticContact CE2-CD2 3.44Å; F6-F70 HydrophobicContact CE2-CD2 3.44Å; F6-F70 VanDerWaalsContact CE2-CD2 3.44Å; F6-F70 AromaticContact CE2-CE2 4Å; F6-F70 HydrophobicContact CE2-CE2 4Å; F6-F70 HydrophobicContact CE2-CG 4.12Å
7V93.5Very high85.9Confident13 Ų1361.1 Ų61.18%0.07936%0.363CS..EExtended strand (participates in β ladder)trans-122.5160.4-178.1-620000110.2V5 Q20 V37 D38 I39V5-V7 HydrophobicContact CG1-CG1 3.93Å; V5-V7 PolarHBondContact O-N 2.86Å; V7-Q20 HydrophobicContact CB-CG 4.37Å; V7-Q20 HydrophobicContact CG1-CB 4.12Å; V7-Q20 HydrophobicContact CG1-CG 4.17Å; V7-V37 PolarHBondContact N-O 2.81Å; V7-D38 HydrophobicContact CG2-CB 4.4Å; V7-D38 CarbonylContact O-C 3.59Å; V7-D38 WeakPolarHBondContact O-CA 3.32Å; V7-I39 WeakPolarHBondContact O-CG1 3.38Å; V7-I39 PolarHBondContact O-N 3.4Å
8A91.4Very high86.1Confident7 Ų765.2 Ų65.26%0.05838%0.376CS..  trans-120.3107.8166.400000109.3Q20 I39 T40 P66A8-Q20 PolarHBondContact O-NE2 2.58Å; A8-I39 HydrophobicContact CB-CD1 4.48Å; A8-I39 HydrophobicContact CB-CG1 4.16Å; A8-T40 HydrophobicContact CB-CG2 3.48Å; A8-T40 VanDerWaalsContact CB-CG2 3.48Å; A8-P66 HydrophobicContact CB-CB 4.46Å; A8-P66 HydrophobicContact CB-CG 3.47Å; A8-P66 VanDerWaalsContact CB-CG 3.47Å
9S85.6Confident86.2Confident70 Ų7065.2 Ų65.249%0.4937%0.371SS..THydrogen-bonded Turntrans-65.2-41.7177.3-175.20000111.4S11 K17 D38S9-S11 VanDerWaalsContact C-N 3.27Å; S9-S11 PolarHBondContact O-N 3.37Å; S9-S11 VanDerWaalsContact O-N 3.15Å; S9-K17 WeakPolarHBondContact O-CE 3.49Å; S9-D38 WeakPolarHBondContact CB-OD2 3.1Å; S9-D38 PolarHBondContact N-OD1 3.41Å
10C79.8Confident86.4Confident90 Ų9062.6 Ų62.661%0.60836%0.355SS*.THydrogen-bonded Turntrans-84.928.8179.7-68.20000114.9G12 T40C10-G12 PolarHBondContact O-N 3.14Å; C10-T40 HydrophobicContact CB-CG2 4.17Å
11S78.4Confident86.6Confident15 Ų1564.6 Ų64.611%0.10536%0.362CS..  trans-71.5128.4176-1760000112.2S9 F13 K17S9-S11 VanDerWaalsContact C-N 3.27Å; S9-S11 PolarHBondContact O-N 3.37Å; S9-S11 VanDerWaalsContact O-N 3.15Å; S11-F13 PolarHBondContact O-N 3.2Å; S11-F13 PolarHBondContact OG-N 3.26Å; S11-K17 WeakPolarHBondContact O-CE 3.42Å; S11-K17 PolarHBondContact O-NZ 3.36Å
12G80.3Confident87.8Confident77 Ų7758 Ų5879%0.79433%0.331SS*.SBendtrans-73.2-11.4173.600000113.9C10C10-G12 PolarHBondContact O-N 3.14Å
13F82.8Confident87.9Confident142 Ų14255.4 Ų55.462%0.62332%0.315SS*.  trans-97111.6-178.4-60.1-81.2000111S11 A15 I16 K17S11-F13 PolarHBondContact O-N 3.2Å; S11-F13 PolarHBondContact OG-N 3.26Å; F13-A15 PolarHBondContact O-N 3.37Å; F13-I16 HydrophobicContact CB-CB 4.13Å; F13-I16 HydrophobicContact CB-CD1 3.78Å; F13-I16 HydrophobicContact CB-CG1 3.85Å; F13-I16 HydrophobicContact CD2-CD1 3.83Å; F13-I16 HydrophobicContact CG-CD1 4.08Å; F13-I16 WeakPolarHBondContact O-CB 3.36Å; F13-I16 PolarHBondContact O-N 3.48Å; F13-K17 PolarHBondContact O-N 3.4Å
14V85Confident87.9Confident98 Ų9855.2 Ų55.259%0.59431%0.314SS*.Hα-helixtrans-56.7-37177.81790000111.9I16 K17 K18V14-I16 VanDerWaalsContact C-N 3.3Å; V14-I16 PolarHBondContact O-N 2.97Å; V14-K17 PolarHBondContact O-N 3.1Å; V14-K18 HydrophobicContact CG1-CD 4.44Å; V14-K18 HydrophobicContact CG1-CG 4.47Å; V14-K18 PolarHBondContact O-N 3.24Å
15A84.9Confident87.8Confident67 Ų6760.1 Ų60.155%0.55433%0.332SS*.Hα-helixtrans-62.5-35.6177.900000113F13 K19F13-A15 PolarHBondContact O-N 3.37Å; A15-K19 WeakPolarHBondContact O-CG 3.48Å; A15-K19 PolarHBondContact O-N 2.88Å
16I86.1Confident87.6Confident11 Ų1166 Ų666%0.05636%0.358CS..Hα-helixtrans-69.1-49.4176-67.7178.4000109.4F13 V14 K18 K19 Q20 L65 P66 L79F13-I16 HydrophobicContact CB-CB 4.13Å; F13-I16 HydrophobicContact CB-CD1 3.78Å; F13-I16 HydrophobicContact CB-CG1 3.85Å; F13-I16 HydrophobicContact CD2-CD1 3.83Å; F13-I16 HydrophobicContact CG-CD1 4.08Å; F13-I16 WeakPolarHBondContact O-CB 3.36Å; F13-I16 PolarHBondContact O-N 3.48Å; V14-I16 VanDerWaalsContact C-N 3.3Å; V14-I16 PolarHBondContact O-N 2.97Å; I16-K18 VanDerWaalsContact C-N 3.32Å; I16-K18 PolarHBondContact O-N 3.23Å; I16-K19 PolarHBondContact O-N 3.02Å; I16-K19 VanDerWaalsContact O-N 3.1Å; I16-Q20 HydrophobicContact CG2-CG 4.33Å; I16-Q20 WeakPolarHBondContact O-CG 3.35Å; I16-Q20 PolarHBondContact O-N 2.87Å; I16-L65 HydrophobicContact CD1-CB 4.3Å; I16-L65 HydrophobicContact CD1-CD1 4.06Å; I16-L65 HydrophobicContact CD1-CD2 4.45Å; I16-P66 HydrophobicContact CG2-CG 4.3Å; I16-P66 VanDerWaalsContact CG2-O 3.28Å; I16-P66 WeakPolarHBondContact CG2-O 3.34Å; I16-L79 HydrophobicContact CG1-CD1 4.23Å; I16-L79 HydrophobicContact CG1-CD2 4.38Å
17K88.2Confident87.4Confident89 Ų8966.7 Ų66.739%0.38736%0.362SS..Hα-helixtrans-55-45.7177.9-76.5179161.9164.20112.7S9 S11 F13 V14 K19 Q20 Q21S9-K17 WeakPolarHBondContact O-CE 3.49Å; S11-K17 WeakPolarHBondContact O-CE 3.42Å; S11-K17 PolarHBondContact O-NZ 3.36Å; F13-K17 PolarHBondContact O-N 3.4Å; V14-K17 PolarHBondContact O-N 3.1Å; K17-K19 PolarHBondContact O-N 3.49Å; K17-Q20 PolarHBondContact O-N 2.98Å; K17-Q21 PolarHBondContact O-N 2.99Å
18K89.1Confident87.3Confident135 Ų13571.4 Ų71.459%0.58738%0.383SS*.Hα-helixtrans-60.4-44.8176.2-77.4-174.3173.5-1780112.3V14 I16 Q20 Q21 D22V14-K18 HydrophobicContact CG1-CD 4.44Å; V14-K18 HydrophobicContact CG1-CG 4.47Å; V14-K18 PolarHBondContact O-N 3.24Å; I16-K18 VanDerWaalsContact C-N 3.32Å; I16-K18 PolarHBondContact O-N 3.23Å; K18-Q20 PolarHBondContact O-N 3.11Å; K18-Q21 PolarHBondContact O-N 3.06Å; K18-D22 PolarHBondContact O-N 2.98Å
19K87.6Confident87.4Confident65 Ų6575 Ų7528%0.28341%0.412SS..Hα-helixtrans-66.6-35.9179-77.2175.9176.1-173.70112.9A15 I16 K17 D22 V23 P67 L79A15-K19 WeakPolarHBondContact O-CG 3.48Å; A15-K19 PolarHBondContact O-N 2.88Å; I16-K19 PolarHBondContact O-N 3.02Å; I16-K19 VanDerWaalsContact O-N 3.1Å; K17-K19 PolarHBondContact O-N 3.49Å; K19-D22 PolarHBondContact O-N 3.1Å; K19-V23 WeakPolarHBondContact O-CG2 3.26Å; K19-V23 PolarHBondContact O-N 3.26Å; K19-V23 VanDerWaalsContact O-N 3.1Å; K19-P67 HydrophobicContact CB-CG 4.42Å; K19-L79 HydrophobicContact CB-CD1 3.9Å; K19-L79 HydrophobicContact CD-CD1 3.24Å; K19-L79 HydrophobicContact CD-CG 3.97Å; K19-L79 HydrophobicContact CG-CD1 4.23Å; K19-L79 PolarHBondContact NZ-O 3.4Å
20Q91.2Very high87.6Confident13 Ų1375.8 Ų75.86%0.06141%0.411CS..Hα-helixtrans-61.1-49.3173-65172.7152.700110.4V7 A8 I16 K17 K18 D22 V23 V24 P66 P67V7-Q20 HydrophobicContact CB-CG 4.37Å; V7-Q20 HydrophobicContact CG1-CB 4.12Å; V7-Q20 HydrophobicContact CG1-CG 4.17Å; A8-Q20 PolarHBondContact O-NE2 2.58Å; I16-Q20 HydrophobicContact CG2-CG 4.33Å; I16-Q20 WeakPolarHBondContact O-CG 3.35Å; I16-Q20 PolarHBondContact O-N 2.87Å; K17-Q20 PolarHBondContact O-N 2.98Å; K18-Q20 PolarHBondContact O-N 3.11Å; Q20-D22 VanDerWaalsContact C-N 3.35Å; Q20-D22 PolarHBondContact O-N 3.2Å; Q20-V23 PolarHBondContact O-N 2.76Å; Q20-V24 WeakPolarHBondContact O-CG2 3.39Å; Q20-V24 PolarHBondContact O-N 2.94Å; Q20-P66 VanDerWaalsContact OE1-CB 3.32Å; Q20-P67 HydrophobicContact CG-CB 3.92Å; Q20-P67 HydrophobicContact CG-CG 4.08Å
21Q91.1Very high88.1Confident106 Ų10680.6 Ų80.650%0.49542%0.422SS..Hα-helixtrans-60.9-41.2176.5-76-179.8-4.200112.6K17 K18 V23 V24 R25K17-Q21 PolarHBondContact O-N 2.99Å; K18-Q21 PolarHBondContact O-N 3.06Å; Q21-V23 VanDerWaalsContact C-N 3.3Å; Q21-V23 PolarHBondContact O-N 3.12Å; Q21-V24 PolarHBondContact O-N 3.25Å; Q21-R25 VanDerWaalsContact O-CB 3.28Å; Q21-R25 WeakPolarHBondContact O-CB 3.21Å; Q21-R25 WeakPolarHBondContact O-CG 3.29Å; Q21-R25 PolarHBondContact O-N 3.16Å
22D90.6Very high88.6Confident70 Ų7083 Ų8337%0.37443%0.433SS..Hα-helixtrans-59.1-41.4176.1-80.60.6000111.8K18 K19 Q20 F26 K82K18-D22 PolarHBondContact O-N 2.98Å; K19-D22 PolarHBondContact O-N 3.1Å; Q20-D22 VanDerWaalsContact C-N 3.35Å; Q20-D22 PolarHBondContact O-N 3.2Å; D22-F26 WeakPolarHBondContact O-CB 3.19Å; D22-F26 PolarHBondContact O-N 3.16Å; D22-K82 IonicContact OD2-NZ 3.61Å
23V89.4Confident89.1Confident27 Ų2787.7 Ų87.716%0.16443%0.434CS..Hα-helixtrans-67.4-49.2178168.90000110.9V5 K19 Q20 Q21 F26 L27 P67 I69V5-V23 HydrophobicContact CG1-CG1 3.92Å; V5-V23 HydrophobicContact CG2-CG1 4.46Å; K19-V23 WeakPolarHBondContact O-CG2 3.26Å; K19-V23 PolarHBondContact O-N 3.26Å; K19-V23 VanDerWaalsContact O-N 3.1Å; Q20-V23 PolarHBondContact O-N 2.76Å; Q21-V23 VanDerWaalsContact C-N 3.3Å; Q21-V23 PolarHBondContact O-N 3.12Å; V23-F26 WeakPolarHBondContact O-CB 3.5Å; V23-F26 PolarHBondContact O-N 3.42Å; V23-L27 HydrophobicContact CG1-CD1 4.04Å; V23-L27 WeakPolarHBondContact O-CG 3.48Å; V23-L27 PolarHBondContact O-N 2.9Å; V23-P67 HydrophobicContact CG2-CB 4.49Å; V23-P67 HydrophobicContact CG2-CG 4.05Å; V23-I69 HydrophobicContact CG1-CD1 3.57Å; V23-I69 HydrophobicContact CG1-CG1 3.99Å; V23-I69 HydrophobicContact CG2-CD1 4.23Å
24V90.7Very high89.6Confident15 Ų1583.1 Ų83.19%0.09141%0.414CS..Hα-helixtrans-57.3-53.3178.5169.30000110.2Q20 Q21 F26 L27 E28 F34 E36Q20-V24 WeakPolarHBondContact O-CG2 3.39Å; Q20-V24 PolarHBondContact O-N 2.94Å; Q21-V24 PolarHBondContact O-N 3.25Å; V24-F26 VanDerWaalsContact C-N 3.25Å; V24-F26 PolarHBondContact O-N 3.2Å; V24-L27 PolarHBondContact O-N 2.79Å; V24-E28 HydrophobicContact CG1-CG 4.47Å; V24-E28 WeakPolarHBondContact O-CG 3.34Å; V24-E28 PolarHBondContact O-N 2.91Å; V24-F34 HydrophobicContact CB-CE2 4.44Å; V24-F34 HydrophobicContact CB-CZ 4.45Å; V24-F34 HydrophobicContact CG1-CE2 4.01Å; V24-F34 HydrophobicContact CG1-CZ 3.78Å; V24-F34 HydrophobicContact CG2-CE2 4.22Å; V24-E36 WeakPolarHBondContact CG1-OE1 3.45Å; V24-E36 HydrophobicContact CG2-CG 4.23Å
25R91.4Very high90Very high152 Ų15283.4 Ų83.457%0.57441%0.409SS*.Hα-helixtrans-58.9-36.7178.1-71.9174.6-179.3-169.10.4112.7Q21 A29Q21-R25 VanDerWaalsContact O-CB 3.28Å; Q21-R25 WeakPolarHBondContact O-CB 3.21Å; Q21-R25 WeakPolarHBondContact O-CG 3.29Å; Q21-R25 PolarHBondContact O-N 3.16Å; R25-A29 WeakPolarHBondContact O-CB 3.1Å; R25-A29 PolarHBondContact O-N 2.81Å
26F89.3Confident90.4Very high125 Ų12585.1 Ų85.155%0.54841%0.405SS..Hα-helixtrans-64.8-45.5176.2175.5-93000111.3D22 V23 V24 A29 N30D22-F26 WeakPolarHBondContact O-CB 3.19Å; D22-F26 PolarHBondContact O-N 3.16Å; V23-F26 WeakPolarHBondContact O-CB 3.5Å; V23-F26 PolarHBondContact O-N 3.42Å; V24-F26 VanDerWaalsContact C-N 3.25Å; V24-F26 PolarHBondContact O-N 3.2Å; F26-A29 PolarHBondContact O-N 3.24Å; F26-N30 VanDerWaalsContact CE2-ND2 3.34Å; F26-N30 WeakPolarHBondContact CE2-ND2 2.97Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.47Å; F26-N30 PolarHBondContact O-N 3.21Å; F26-N30 VanDerWaalsContact O-N 3.12Å; F26-N30 PolarHBondContact O-ND2 3.02Å
27L89.5Confident90.7Very high14 Ų1485.1 Ų85.17%0.07341%0.406CS..Hα-helixtrans-64.5-43.9178.8-65.2169.4000111.2V3 V5 V23 V24 N30 K31 I32 F34V3-L27 HydrophobicContact CG1-CD1 4.36Å; V5-L27 HydrophobicContact CG2-CD1 3.35Å; V23-L27 HydrophobicContact CG1-CD1 4.04Å; V23-L27 WeakPolarHBondContact O-CG 3.48Å; V23-L27 PolarHBondContact O-N 2.9Å; V24-L27 PolarHBondContact O-N 2.79Å; L27-N30 CarbonylContact O-C 3.56Å; L27-N30 PolarHBondContact O-N 3.38Å; L27-K31 PolarHBondContact O-N 2.76Å; L27-K31 VanDerWaalsContact O-N 3.16Å; L27-I32 HydrophobicContact CB-CB 4.43Å; L27-I32 HydrophobicContact CD2-CB 4.17Å; L27-I32 HydrophobicContact CD2-CD1 3.87Å; L27-I32 HydrophobicContact CD2-CG2 4.05Å; L27-I32 PolarHBondContact O-N 3Å; L27-F34 HydrophobicContact CB-CD1 3.42Å; L27-F34 VanDerWaalsContact CB-CD1 3.42Å; L27-F34 HydrophobicContact CB-CE1 3.55Å; L27-F34 HydrophobicContact CB-CG 4.13Å; L27-F34 HydrophobicContact CB-CZ 4.32Å; L27-F34 HydrophobicContact CD1-CB 4.04Å; L27-F34 HydrophobicContact CD1-CD1 3.93Å; L27-F34 HydrophobicContact CD1-CD2 4.06Å; L27-F34 HydrophobicContact CD1-CE1 4.47Å; L27-F34 HydrophobicContact CD1-CG 3.73Å; L27-F34 HydrophobicContact CG-CD1 4.29Å
28E90.7Very high90.9Very high112 Ų11282.8 Ų82.852%0.52340%0.398SS..Hα-helixtrans-59.3-47.9174.6-68.7178.6145.800112.1V24 N30 K31 F34V24-E28 HydrophobicContact CG1-CG 4.47Å; V24-E28 WeakPolarHBondContact O-CG 3.34Å; V24-E28 PolarHBondContact O-N 2.91Å; E28-N30 PolarHBondContact O-N 2.86Å; E28-K31 PolarHBondContact O-N 2.81Å; E28-F34 HydrophobicContact CG-CE1 3.73Å; E28-F34 HydrophobicContact CG-CZ 3.77Å
29A93.1Very high91.1Very high82 Ų8277 Ų7768%0.67837%0.373SS*.Hα-helixtrans-61.8-30.918000000112.6R25 F26 K31R25-A29 WeakPolarHBondContact O-CB 3.1Å; R25-A29 PolarHBondContact O-N 2.81Å; F26-A29 PolarHBondContact O-N 3.24Å; A29-K31 VanDerWaalsContact C-N 3.33Å
30N89.7Confident91.1Very high86 Ų8676.8 Ų76.846%0.4638%0.377SS..THydrogen-bonded Turntrans-893.8175.9-72.2-84.8000113.2F26 L27 E28 I32F26-N30 VanDerWaalsContact CE2-ND2 3.34Å; F26-N30 WeakPolarHBondContact CE2-ND2 2.97Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.47Å; F26-N30 PolarHBondContact O-N 3.21Å; F26-N30 VanDerWaalsContact O-N 3.12Å; F26-N30 PolarHBondContact O-ND2 3.02Å; L27-N30 CarbonylContact O-C 3.56Å; L27-N30 PolarHBondContact O-N 3.38Å; E28-N30 PolarHBondContact O-N 2.86Å; N30-I32 HydrophobicContact CB-CD1 3.77Å; N30-I32 HydrophobicContact CB-CG1 3.9Å; N30-I32 PolarHBondContact O-N 2.74Å
31K90.9Very high91Very high192 Ų19282.7 Ų82.784%0.83541%0.406SS*.THydrogen-bonded Turntrans53.234.6-176-54.9-177.2-179.3-1780113.1L27 E28 A29L27-K31 PolarHBondContact O-N 2.76Å; L27-K31 VanDerWaalsContact O-N 3.16Å; E28-K31 PolarHBondContact O-N 2.81Å; A29-K31 VanDerWaalsContact C-N 3.33Å
32I88.8Confident90.9Very high66 Ų6679.4 Ų79.434%0.33840%0.395SS..  trans-82.5128.1174.2-62.7168.4000106.6V3 L27 N30 F34V3-I32 HydrophobicContact CG2-CG2 4.05Å; L27-I32 HydrophobicContact CB-CB 4.43Å; L27-I32 HydrophobicContact CD2-CB 4.17Å; L27-I32 HydrophobicContact CD2-CD1 3.87Å; L27-I32 HydrophobicContact CD2-CG2 4.05Å; L27-I32 PolarHBondContact O-N 3Å; N30-I32 HydrophobicContact CB-CD1 3.77Å; N30-I32 HydrophobicContact CB-CG1 3.9Å; N30-I32 PolarHBondContact O-N 2.74Å; I32-F34 VanDerWaalsContact O-CD1 3.29Å; I32-F34 WeakPolarHBondContact O-CD1 3.46Å
33E90.9Very high90.9Very high175 Ų17581.3 Ų81.382%0.81840%0.402SS*.  trans-73.7126.9171.7-67.5-175.6152.600109.9
34F92.8Very high91.1Very high46 Ų4687.1 Ų87.120%0.20243%0.427CS..EExtended strand (participates in β ladder)trans-143.8161.8178.167.1-81.6000111.8V3 V5 V24 L27 E28 I32 E36V3-F34 HydrophobicContact CB-CB 3.9Å; V3-F34 HydrophobicContact CG1-CB 4.04Å; V3-F34 CarbonylContact O-C 3.44Å; V3-F34 WeakPolarHBondContact O-CA 3.33Å; V3-F34 WeakPolarHBondContact O-CB 3.47Å; V5-F34 HydrophobicContact CB-CD2 4.48Å; V5-F34 HydrophobicContact CG2-CB 4.25Å; V5-F34 HydrophobicContact CG2-CD2 3.81Å; V5-F34 HydrophobicContact CG2-CG 4.27Å; V24-F34 HydrophobicContact CB-CE2 4.44Å; V24-F34 HydrophobicContact CB-CZ 4.45Å; V24-F34 HydrophobicContact CG1-CE2 4.01Å; V24-F34 HydrophobicContact CG1-CZ 3.78Å; V24-F34 HydrophobicContact CG2-CE2 4.22Å; L27-F34 HydrophobicContact CB-CD1 3.42Å; L27-F34 VanDerWaalsContact CB-CD1 3.42Å; L27-F34 HydrophobicContact CB-CE1 3.55Å; L27-F34 HydrophobicContact CB-CG 4.13Å; L27-F34 HydrophobicContact CB-CZ 4.32Å; L27-F34 HydrophobicContact CD1-CB 4.04Å; L27-F34 HydrophobicContact CD1-CD1 3.93Å; L27-F34 HydrophobicContact CD1-CD2 4.06Å; L27-F34 HydrophobicContact CD1-CE1 4.47Å; L27-F34 HydrophobicContact CD1-CG 3.73Å; L27-F34 HydrophobicContact CG-CD1 4.29Å; E28-F34 HydrophobicContact CG-CE1 3.73Å; E28-F34 HydrophobicContact CG-CZ 3.77Å; I32-F34 VanDerWaalsContact O-CD1 3.29Å; I32-F34 WeakPolarHBondContact O-CD1 3.46Å; F34-E36 HydrophobicContact CD2-CG 3.95Å; F34-E36 HydrophobicContact CE2-CG 3.53Å
35E94Very high91.1Very high104 Ų10489 Ų8949%0.48644%0.435SS..EExtended strand (participates in β ladder)trans-114.4127.4174.5-175.9-175.1178.400109.3V2 V3 R4 V5 V37V2-E35 HydrophobicContact CG1-CB 4.45Å; V3-E35 PolarHBondContact O-N 2.98Å; R4-E35 CarbonylContact C-O 3.48Å; R4-E35 WeakPolarHBondContact CA-O 3.45Å; R4-E35 HydrophobicContact CG-CB 4.37Å; V5-E35 PolarHBondContact N-O 2.98Å; E35-V37 HydrophobicContact CG-CG2 4.15Å
36E92.9Very high91.2Very high103 Ų10386.3 Ų86.348%0.48143%0.425SS..EExtended strand (participates in β ladder)trans-86.3118.4171.2-65.1-171.4-131.900110.1V5 V24 F34V5-E36 WeakPolarHBondContact O-CA 3.38Å; V24-E36 WeakPolarHBondContact CG1-OE1 3.45Å; V24-E36 HydrophobicContact CG2-CG 4.23Å; F34-E36 HydrophobicContact CD2-CG 3.95Å; F34-E36 HydrophobicContact CE2-CG 3.53Å
37V93.5Very high91.3Very high11 Ų1184.3 Ų84.37%0.06742%0.417CS..EExtended strand (participates in β ladder)trans-109.8107.1-179-175.20000109R4 V5 F6 V7 E35 I39 Q45R4-V37 HydrophobicContact CB-CG2 4.4Å; V5-V37 PolarHBondContact O-N 2.91Å; F6-V37 CarbonylContact C-O 3.58Å; F6-V37 VanDerWaalsContact CA-O 3.32Å; F6-V37 WeakPolarHBondContact CA-O 3.43Å; F6-V37 HydrophobicContact CD1-CB 3.89Å; F6-V37 HydrophobicContact CD1-CG1 3.79Å; F6-V37 HydrophobicContact CE1-CB 4.04Å; F6-V37 HydrophobicContact CE1-CG1 3.69Å; F6-V37 HydrophobicContact CE1-CG2 4.5Å; F6-V37 HydrophobicContact CG-CB 4.34Å; F6-V37 HydrophobicContact CZ-CG1 4.5Å; V7-V37 PolarHBondContact N-O 2.81Å; E35-V37 HydrophobicContact CG-CG2 4.15Å; V37-I39 PolarHBondContact O-N 2.99Å; V37-Q45 HydrophobicContact CG1-CB 3.71Å; V37-Q45 HydrophobicContact CG1-CG 3.6Å
38D92.8Very high91.5Very high40 Ų4086.7 Ų86.721%0.21443%0.425CS..EExtended strand (participates in β ladder)trans-81.2106.5179-168.1-9.4000112V7 S9 T40 M41 S42V7-D38 HydrophobicContact CG2-CB 4.4Å; V7-D38 CarbonylContact O-C 3.59Å; V7-D38 WeakPolarHBondContact O-CA 3.32Å; S9-D38 WeakPolarHBondContact CB-OD2 3.1Å; S9-D38 PolarHBondContact N-OD1 3.41Å; D38-T40 VanDerWaalsContact CG-OG1 3.27Å; D38-T40 PolarHBondContact O-N 3.2Å; D38-T40 WeakPolarHBondContact OD1-CB 3.35Å; D38-T40 PolarHBondContact OD1-N 3.21Å; D38-T40 PolarHBondContact OD1-OG1 3Å; D38-T40 PolarHBondContact OD2-OG1 3.24Å; D38-M41 HydrophobicContact CB-CB 4.49Å; D38-M41 HydrophobicContact CB-CG 4.34Å; D38-M41 PolarHBondContact O-N 3.1Å; D38-S42 PolarHBondContact O-N 2.88Å
39I91.9Very high91.6Very high14 Ų1481.4 Ų81.47%0.07240%0.4CS..THydrogen-bonded Turntrans-72.9-12.5179.672.3-179.8000113.3F6 V7 A8 V37 M41 R46 M49 P66F6-I39 HydrophobicContact CB-CG2 4Å; F6-I39 HydrophobicContact CD1-CG2 3.65Å; F6-I39 HydrophobicContact CG-CG2 4.32Å; V7-I39 WeakPolarHBondContact O-CG1 3.38Å; V7-I39 PolarHBondContact O-N 3.4Å; A8-I39 HydrophobicContact CB-CD1 4.48Å; A8-I39 HydrophobicContact CB-CG1 4.16Å; V37-I39 PolarHBondContact O-N 2.99Å; I39-M41 VanDerWaalsContact C-N 3.33Å; I39-R46 HydrophobicContact CB-CB 4.01Å; I39-R46 HydrophobicContact CB-CG 4.49Å; I39-M49 HydrophobicContact CD1-CE 3.71Å; I39-M49 HydrophobicContact CD1-SD 4.12Å; I39-M49 HydrophobicContact CG2-SD 4.15Å; I39-P66 HydrophobicContact CD1-CB 4.27Å; I39-P66 HydrophobicContact CD1-CG 3.96Å
40T88.6Confident91.5Very high59 Ų5980.1 Ų80.136%0.36238%0.378SS..THydrogen-bonded Turntrans-80.3-20.8176620000112.4A8 C10 D38A8-T40 HydrophobicContact CB-CG2 3.48Å; A8-T40 VanDerWaalsContact CB-CG2 3.48Å; C10-T40 HydrophobicContact CB-CG2 4.17Å; D38-T40 VanDerWaalsContact CG-OG1 3.27Å; D38-T40 PolarHBondContact O-N 3.2Å; D38-T40 WeakPolarHBondContact OD1-CB 3.35Å; D38-T40 PolarHBondContact OD1-N 3.21Å; D38-T40 PolarHBondContact OD1-OG1 3Å; D38-T40 PolarHBondContact OD2-OG1 3.24Å
41M87.8Confident91.6Very high137 Ų13783.4 Ų83.468%0.67539%0.389SS*.THydrogen-bonded Turntrans-98.4-16.1179.5-61.6-61.4154.100112.8D38 I39D38-M41 HydrophobicContact CB-CB 4.49Å; D38-M41 HydrophobicContact CB-CG 4.34Å; D38-M41 PolarHBondContact O-N 3.1Å; I39-M41 VanDerWaalsContact C-N 3.33Å
42S90.1Very high91.6Very high37 Ų3777 Ų7726%0.25936%0.363SS..  trans-137.3114.2177.4177.70000112.1D38 E44 Q45 R46D38-S42 PolarHBondContact O-N 2.88Å; S42-E44 VanDerWaalsContact C-N 3.29Å; S42-E44 PolarHBondContact O-N 2.94Å; S42-E44 PolarHBondContact OG-N 3.12Å; S42-Q45 PolarHBondContact O-N 3.41Å; S42-Q45 PolarHBondContact OG-N 2.99Å; S42-R46 PolarHBondContact O-N 3.03Å; S42-R46 VanDerWaalsContact O-N 3.16Å
43E89.8Confident91.7Very high111 Ų11174 Ų7452%0.51935%0.348SS..Hα-helixtrans-63.8-35.7173.5173.8163.6-156.200112.2Q45 R46 Q47E43-Q45 VanDerWaalsContact C-N 3.33Å; E43-Q45 PolarHBondContact O-N 3.4Å; E43-R46 WeakPolarHBondContact O-CB 3.2Å; E43-R46 PolarHBondContact O-N 3.2Å; E43-R46 IonicContact OE1-CZ 3.69Å; E43-R46 IonicContact OE1-NH2 3.92Å; E43-R46 PolarHBondContact OE1-NH2 3.22Å; E43-Q47 HydrophobicContact CG-CG 4.15Å; E43-Q47 WeakPolarHBondContact O-CG 3.28Å; E43-Q47 PolarHBondContact O-N 3.21Å; E43-Q47 PolarHBondContact OE1-NE2 2.8Å
44E93.4Very high91.6Very high148 Ų14867.2 Ų67.269%0.69232%0.319SS*.Hα-helixtrans-59-47178-176.3-178.3-178.400110.8S42 R46 Q47 W48S42-E44 VanDerWaalsContact C-N 3.29Å; S42-E44 PolarHBondContact O-N 2.94Å; S42-E44 PolarHBondContact OG-N 3.12Å; E44-R46 VanDerWaalsContact C-N 3.33Å; E44-R46 PolarHBondContact O-N 2.77Å; E44-Q47 PolarHBondContact O-N 3.35Å; E44-W48 WeakPolarHBondContact O-CB 3.39Å; E44-W48 PolarHBondContact O-N 3.05Å
45Q92.3Very high91.2Very high56 Ų5670 Ų7026%0.26234%0.342SS..Hα-helixtrans-64.4-38.6177.4-65.2-60.4-30.500111.8F6 V37 S42 E43 W48 M49F6-Q45 HydrophobicContact CE1-CB 4.31Å; V37-Q45 HydrophobicContact CG1-CB 3.71Å; V37-Q45 HydrophobicContact CG1-CG 3.6Å; S42-Q45 PolarHBondContact O-N 3.41Å; S42-Q45 PolarHBondContact OG-N 2.99Å; E43-Q45 VanDerWaalsContact C-N 3.33Å; E43-Q45 PolarHBondContact O-N 3.4Å; Q45-W48 PolarHBondContact O-N 3.43Å; Q45-M49 WeakPolarHBondContact O-CB 3.33Å; Q45-M49 PolarHBondContact O-N 2.79Å
46R91.6Very high90.8Very high95 Ų9572.1 Ų72.136%0.35835%0.352SS..Hα-helixtrans-58.9-49.1173.2-176-175.869.1167.20.1111.7I39 S42 E43 E44 M49 Y50I39-R46 HydrophobicContact CB-CB 4.01Å; I39-R46 HydrophobicContact CB-CG 4.49Å; S42-R46 PolarHBondContact O-N 3.03Å; S42-R46 VanDerWaalsContact O-N 3.16Å; E43-R46 WeakPolarHBondContact O-CB 3.2Å; E43-R46 PolarHBondContact O-N 3.2Å; E43-R46 IonicContact OE1-CZ 3.69Å; E43-R46 IonicContact OE1-NH2 3.92Å; E43-R46 PolarHBondContact OE1-NH2 3.22Å; E44-R46 VanDerWaalsContact C-N 3.33Å; E44-R46 PolarHBondContact O-N 2.77Å; R46-M49 PolarHBondContact O-N 3.32Å; R46-Y50 HydrophobicContact CG-CE1 4.45Å; R46-Y50 HydrophobicContact CG-CE2 4.11Å; R46-Y50 PolarHBondContact O-N 3.1Å; R46-Y50 VanDerWaalsContact O-N 3.11Å
47Q92.8Very high90.3Very high83 Ų8372.7 Ų72.739%0.38835%0.353SS..Hα-helixtrans-67.4-39.7-179.8-69.7-172.611.800111.5E43 E44 Y50 K51E43-Q47 HydrophobicContact CG-CG 4.15Å; E43-Q47 WeakPolarHBondContact O-CG 3.28Å; E43-Q47 PolarHBondContact O-N 3.21Å; E43-Q47 PolarHBondContact OE1-NE2 2.8Å; E44-Q47 PolarHBondContact O-N 3.35Å; Q47-Y50 PolarHBondContact O-N 2.78Å; Q47-K51 WeakPolarHBondContact O-CG 3.48Å; Q47-K51 PolarHBondContact O-N 3.21Å
48W93.2Very high89.8Confident64 Ų6476.5 Ų76.524%0.24237%0.368CS..Hα-helixtrans-58.3-49.2174.5-17296.5000110.4R4 F6 E44 Q45 Y50 K51 N52 F70R4-W48 VanDerWaalsContact NH2-CH2 3.29Å; F6-W48 AromaticContact CE1-CE3 3.95Å; F6-W48 HydrophobicContact CE1-CE3 3.95Å; F6-W48 HydrophobicContact CE1-CZ3 4.4Å; F6-W48 HydrophobicContact CE2-CE3 4.01Å; F6-W48 AromaticContact CE2-CZ3 3.61Å; F6-W48 HydrophobicContact CE2-CZ3 3.61Å; F6-W48 HydrophobicContact CZ-CD2 4.4Å; F6-W48 AromaticContact CZ-CE3 3.31Å; F6-W48 HydrophobicContact CZ-CE3 3.31Å; F6-W48 HydrophobicContact CZ-CH2 4.49Å; F6-W48 AromaticContact CZ-CZ3 3.37Å; F6-W48 HydrophobicContact CZ-CZ3 3.37Å; E44-W48 WeakPolarHBondContact O-CB 3.39Å; E44-W48 PolarHBondContact O-N 3.05Å; Q45-W48 PolarHBondContact O-N 3.43Å; W48-Y50 VanDerWaalsContact C-N 3.34Å; W48-Y50 PolarHBondContact O-N 2.85Å; W48-K51 PolarHBondContact O-N 3.49Å; W48-N52 HydrophobicContact CD2-CB 4.46Å; W48-N52 HydrophobicContact CE3-CB 4.25Å; W48-N52 HydrophobicContact CH2-CB 3.99Å; W48-N52 HydrophobicContact CZ2-CB 4.22Å; W48-N52 HydrophobicContact CZ3-CB 4Å; W48-N52 PolarHBondContact NE1-ND2 3.43Å; W48-N52 WeakPolarHBondContact O-CB 3.38Å; W48-N52 PolarHBondContact O-N 2.95Å; W48-N52 PolarHBondContact O-ND2 3.07Å; W48-F70 AromaticContact CH2-CD1 3.92Å; W48-F70 HydrophobicContact CH2-CD1 3.92Å; W48-F70 HydrophobicContact CH2-CE1 4.23Å; W48-F70 HydrophobicContact CH2-CG 4.19Å; W48-F70 AromaticContact CZ3-CD1 3.96Å; W48-F70 HydrophobicContact CZ3-CD1 3.96Å; W48-F70 HydrophobicContact CZ3-CD2 4.1Å; W48-F70 HydrophobicContact CZ3-CE1 4.05Å; W48-F70 HydrophobicContact CZ3-CE2 4.17Å; W48-F70 AromaticContact CZ3-CG 3.97Å; W48-F70 HydrophobicContact CZ3-CG 3.97Å; W48-F70 HydrophobicContact CZ3-CZ 4.13Å
49M92.4Very high89.2Confident0 Ų077.4 Ų77.40%038%0.376CS..Hα-helixtrans-55.4-47.4176.7-173.7-168.372.600111.4F6 I39 Q45 R46 K51 N52 I53 Q68 F70F6-M49 HydrophobicContact CB-CG 4.13Å; F6-M49 HydrophobicContact CB-SD 3.49Å; F6-M49 WeakPolarHBondContact CB-SD 3.43Å; F6-M49 HydrophobicContact CD1-CB 3.89Å; F6-M49 HydrophobicContact CD1-CG 4.16Å; F6-M49 HydrophobicContact CD1-SD 4.28Å; F6-M49 HydrophobicContact CD2-CG 4.39Å; F6-M49 HydrophobicContact CE1-CB 4.15Å; F6-M49 HydrophobicContact CG-CB 4.21Å; F6-M49 HydrophobicContact CG-CG 3.96Å; F6-M49 HydrophobicContact CG-SD 3.97Å; I39-M49 HydrophobicContact CD1-CE 3.71Å; I39-M49 HydrophobicContact CD1-SD 4.12Å; I39-M49 HydrophobicContact CG2-SD 4.15Å; Q45-M49 WeakPolarHBondContact O-CB 3.33Å; Q45-M49 PolarHBondContact O-N 2.79Å; R46-M49 PolarHBondContact O-N 3.32Å; M49-K51 VanDerWaalsContact C-N 3.35Å; M49-K51 PolarHBondContact O-N 3.33Å; M49-N52 PolarHBondContact O-N 3.31Å; M49-I53 HydrophobicContact CG-CD1 4.16Å; M49-I53 WeakPolarHBondContact O-CD1 3.28Å; M49-I53 WeakPolarHBondContact O-CG1 3.41Å; M49-I53 PolarHBondContact O-N 3.48Å; M49-Q68 HydrophobicContact CE-CG 4.24Å; M49-Q68 HydrophobicContact CG-CB 3.94Å; M49-Q68 HydrophobicContact CG-CG 4.05Å; M49-Q68 HydrophobicContact SD-CB 3.68Å; M49-Q68 HydrophobicContact SD-CG 3.47Å; M49-Q68 WeakPolarHBondContact SD-CG 3.37Å; M49-F70 HydrophobicContact CG-CE2 4.14Å
50Y90.9Very high88.4Confident55 Ų5582.3 Ų82.322%0.21642%0.419CS..Hα-helixtrans-64.6-35.6-179.8-69.7-4.8000114R46 Q47 W48 K58 N63 P64R46-Y50 HydrophobicContact CG-CE1 4.45Å; R46-Y50 HydrophobicContact CG-CE2 4.11Å; R46-Y50 PolarHBondContact O-N 3.1Å; R46-Y50 VanDerWaalsContact O-N 3.11Å; Q47-Y50 PolarHBondContact O-N 2.78Å; W48-Y50 VanDerWaalsContact C-N 3.34Å; W48-Y50 PolarHBondContact O-N 2.85Å; Y50-K58 WeakPolarHBondContact O-CE 3.49Å; Y50-K58 PolarHBondContact O-NZ 3.41Å; Y50-K58 VanDerWaalsContact O-NZ 3.12Å; Y50-N63 HydrophobicContact CE1-CB 4.31Å; Y50-N63 HydrophobicContact CE2-CB 3.97Å; Y50-N63 WeakPolarHBondContact OH-CB 3.46Å; Y50-P64 HydrophobicContact CD1-CB 4.07Å; Y50-P64 HydrophobicContact CD1-CG 3.8Å; Y50-P64 HydrophobicContact CE1-CB 4.06Å; Y50-P64 HydrophobicContact CE1-CG 4.12Å; Y50-P64 VanDerWaalsContact CE1-O 3.28Å; Y50-P64 WeakPolarHBondContact CE1-O 3.22Å
51K91.3Very high87.9Confident156 Ų15688.2 Ų88.268%0.67844%0.443SS*.Hα-helixtrans-73.3-38179.3-72.8174.8-178.3174.50112Q47 W48 M49Q47-K51 WeakPolarHBondContact O-CG 3.48Å; Q47-K51 PolarHBondContact O-N 3.21Å; W48-K51 PolarHBondContact O-N 3.49Å; M49-K51 VanDerWaalsContact C-N 3.35Å; M49-K51 PolarHBondContact O-N 3.33Å
52N92.2Very high87.6Confident56 Ų5684.6 Ų84.630%0.29944%0.441SS..Hα-helixtrans-87.2-8.4-174.2-70.4-83.5000114.1W48 M49 P54 F70W48-N52 HydrophobicContact CD2-CB 4.46Å; W48-N52 HydrophobicContact CE3-CB 4.25Å; W48-N52 HydrophobicContact CH2-CB 3.99Å; W48-N52 HydrophobicContact CZ2-CB 4.22Å; W48-N52 HydrophobicContact CZ3-CB 4Å; W48-N52 PolarHBondContact NE1-ND2 3.43Å; W48-N52 WeakPolarHBondContact O-CB 3.38Å; W48-N52 PolarHBondContact O-N 2.95Å; W48-N52 PolarHBondContact O-ND2 3.07Å; M49-N52 PolarHBondContact O-N 3.31Å; N52-P54 WeakPolarHBondContact O-CD 3.44Å; N52-F70 HydrophobicContact CB-CE1 3.62Å; N52-F70 HydrophobicContact CB-CZ 3.96Å; N52-F70 WeakPolarHBondContact O-CE1 3.47Å
53I90Very high87.3Confident3 Ų388 Ų882%0.01546%0.456CS..SBendtrans-71.6126.5169.6-68.1163.5000109.1M49 K57 K58 P64 Q68 F70 Y75M49-I53 HydrophobicContact CG-CD1 4.16Å; M49-I53 WeakPolarHBondContact O-CD1 3.28Å; M49-I53 WeakPolarHBondContact O-CG1 3.41Å; M49-I53 PolarHBondContact O-N 3.48Å; I53-K57 HydrophobicContact CG2-CB 4.14Å; I53-K58 HydrophobicContact CB-CG 4.34Å; I53-K58 HydrophobicContact CG2-CG 3.71Å; I53-K58 WeakPolarHBondContact O-CE 3.49Å; I53-P64 HydrophobicContact CD1-CB 3.38Å; I53-P64 HydrophobicContact CD1-CG 3.63Å; I53-Q68 HydrophobicContact CD1-CG 4.06Å; I53-F70 HydrophobicContact CG1-CE2 4.44Å; I53-F70 HydrophobicContact CG1-CZ 3.88Å; I53-Y75 HydrophobicContact CG1-CD2 4.11Å; I53-Y75 HydrophobicContact CG1-CE2 3.81Å; I53-Y75 HydrophobicContact CG2-CE1 4.42Å; I53-Y75 HydrophobicContact CG2-CE2 4.5Å
54P88.4Confident87.1Confident34 Ų3483.2 Ų83.222%0.22144%0.435CS..  trans-57.5139.7175.4-2332.2000111.5N52 E56 K57 K58 Y75N52-P54 WeakPolarHBondContact O-CD 3.44Å; P54-E56 HydrophobicContact CB-CG 4.46Å; P54-E56 WeakPolarHBondContact CB-OE2 3.32Å; P54-E56 PolarHBondContact O-N 3.11Å; P54-E56 VanDerWaalsContact O-N 3.16Å; P54-K57 HydrophobicContact CB-CB 4.49Å; P54-K57 HydrophobicContact CB-CG 4.29Å; P54-K57 HydrophobicContact CG-CG 4.42Å; P54-K57 WeakPolarHBondContact O-CA 3.24Å; P54-K57 PolarHBondContact O-N 3.35Å; P54-K58 PolarHBondContact O-N 3.43Å; P54-Y75 HydrophobicContact CG-CD1 3.87Å; P54-Y75 HydrophobicContact CG-CG 4.23Å
55P84.8Confident86.9Confident104 Ų10480.2 Ų80.268%0.67542%0.423SS*.G310 helixtrans-52.8-38.1-179-24.833.4000113.4K57 K58P55-K57 PolarHBondContact O-N 2.87Å; P55-K58 PolarHBondContact O-N 3.3Å
56E85.2Confident86.8Confident148 Ų14878 Ų7869%0.69241%0.413SS*.G310 helixtrans-70.3-13.3179.371.2-86.1-164.700114.1P54P54-E56 HydrophobicContact CB-CG 4.46Å; P54-E56 WeakPolarHBondContact CB-OE2 3.32Å; P54-E56 PolarHBondContact O-N 3.11Å; P54-E56 VanDerWaalsContact O-N 3.16Å
57K83Confident86.8Confident116 Ų11673.6 Ų73.650%0.50440%0.397SS..G310 helixtrans-106.6-4176.3-59.5-62-174.8-178.70112.8I53 P54 P55 Y75I53-K57 HydrophobicContact CG2-CB 4.14Å; P54-K57 HydrophobicContact CB-CB 4.49Å; P54-K57 HydrophobicContact CB-CG 4.29Å; P54-K57 HydrophobicContact CG-CG 4.42Å; P54-K57 WeakPolarHBondContact O-CA 3.24Å; P54-K57 PolarHBondContact O-N 3.35Å; P55-K57 PolarHBondContact O-N 2.87Å; K57-Y75 HydrophobicContact CB-CD1 4.2Å; K57-Y75 HydrophobicContact CB-CE1 3.53Å; K57-Y75 HydrophobicContact CG-CD1 4.07Å; K57-Y75 HydrophobicContact CG-CE1 3.71Å
58K83Confident86.8Confident90 Ų9070.1 Ų70.139%0.39138%0.381SS..SBendtrans-70.4145.8173.6-68.8-174.3-174.7-176.80109.7Y50 I53 P54 P55Y50-K58 WeakPolarHBondContact O-CE 3.49Å; Y50-K58 PolarHBondContact O-NZ 3.41Å; Y50-K58 VanDerWaalsContact O-NZ 3.12Å; I53-K58 HydrophobicContact CB-CG 4.34Å; I53-K58 HydrophobicContact CG2-CG 3.71Å; I53-K58 WeakPolarHBondContact O-CE 3.49Å; P54-K58 PolarHBondContact O-N 3.43Å; P55-K58 PolarHBondContact O-N 3.3Å
59P81.1Confident86.8Confident59 Ų5968.1 Ų68.138%0.38338%0.375SS..  trans-62.9144.3174.428-34000110.2Q61P59-Q61 PolarHBondContact O-N 2.91Å
60A75.3Confident86.8Confident118 Ų11868.1 Ų68.198%0.97538%0.375SS*.SBendtrans-62.9-23.5177.400000112.7
61Q76.5Confident86.8Confident182 Ų18268.1 Ų68.185%0.8538%0.378SS*.SBendtrans-140.1135.9176.7-165.3-18022.500110.6P59P59-Q61 PolarHBondContact O-N 2.91Å
62G81.4Confident86.6Confident62 Ų6261.7 Ų61.764%0.63936%0.356SS*.SBendtrans80.1-168.8176.700000114.3
63N84.3Confident86.2Confident107 Ų10765.1 Ų65.157%0.57238%0.375SS*.PPolyproline II helixtrans-91.6151.4-177.8-68-25.6000111.6Y50 L65Y50-N63 HydrophobicContact CE1-CB 4.31Å; Y50-N63 HydrophobicContact CE2-CB 3.97Å; Y50-N63 WeakPolarHBondContact OH-CB 3.46Å; N63-L65 PolarHBondContact O-N 3.42Å
64P86.8Confident86.1Confident11 Ų1174.2 Ų74.27%0.07141%0.409CS..PPolyproline II helixtrans-55.7132.2171.4-21.430.6000111.6Y50 I53Y50-P64 HydrophobicContact CD1-CB 4.07Å; Y50-P64 HydrophobicContact CD1-CG 3.8Å; Y50-P64 HydrophobicContact CE1-CB 4.06Å; Y50-P64 HydrophobicContact CE1-CG 4.12Å; Y50-P64 VanDerWaalsContact CE1-O 3.28Å; Y50-P64 WeakPolarHBondContact CE1-O 3.22Å; I53-P64 HydrophobicContact CD1-CB 3.38Å; I53-P64 HydrophobicContact CD1-CG 3.63Å
65L88.4Confident86.3Confident86 Ų8674.4 Ų74.445%0.4541%0.405SS..PPolyproline II helixtrans-101.2140.8178.7-64.2174.5000110.2I16 N63 Q68 L79I16-L65 HydrophobicContact CD1-CB 4.3Å; I16-L65 HydrophobicContact CD1-CD1 4.06Å; I16-L65 HydrophobicContact CD1-CD2 4.45Å; N63-L65 PolarHBondContact O-N 3.42Å; L65-Q68 PolarHBondContact O-NE2 2.87Å; L65-L79 HydrophobicContact CB-CD2 3.96Å; L65-L79 HydrophobicContact CD1-CD2 4.39Å
66P90.6Very high86.4Confident9 Ų972.6 Ų72.66%0.05839%0.394CS..SBendtrans-68.9160174.329.9-33.6000111.4F6 A8 I16 Q20 I39 L79F6-P66 WeakPolarHBondContact O-CB 3.47Å; A8-P66 HydrophobicContact CB-CB 4.46Å; A8-P66 HydrophobicContact CB-CG 3.47Å; A8-P66 VanDerWaalsContact CB-CG 3.47Å; I16-P66 HydrophobicContact CG2-CG 4.3Å; I16-P66 VanDerWaalsContact CG2-O 3.28Å; I16-P66 WeakPolarHBondContact CG2-O 3.34Å; Q20-P66 VanDerWaalsContact OE1-CB 3.32Å; I39-P66 HydrophobicContact CD1-CB 4.27Å; I39-P66 HydrophobicContact CD1-CG 3.96Å; P66-L79 WeakPolarHBondContact O-CD1 3.47Å
67P92.1Very high86.4Confident2 Ų266 Ų661%0.01337%0.367CS..PPolyproline II helixcis-73.5146.90.929-30.2000112.5F6 K19 Q20 V23 G78 L79F6-P67 VanDerWaalsContact O-CA 3.24Å; F6-P67 WeakPolarHBondContact O-CA 3.37Å; K19-P67 HydrophobicContact CB-CG 4.42Å; Q20-P67 HydrophobicContact CG-CB 3.92Å; Q20-P67 HydrophobicContact CG-CG 4.08Å; V23-P67 HydrophobicContact CG2-CB 4.49Å; V23-P67 HydrophobicContact CG2-CG 4.05Å; P67-G78 CarbonylContact O-C 3.35Å; P67-G78 WeakPolarHBondContact O-CA 3.37Å; P67-L79 PolarHBondContact O-N 3.03Å
68Q92.5Very high86.3Confident11 Ų1161.1 Ų61.15%0.05135%0.349CS..EExtended strand (participates in β ladder)trans-128.2128.8170.3-59.7-66-1200109.2F6 M49 I53 L65 F70 Y75F6-Q68 HydrophobicContact CB-CB 4.18Å; F6-Q68 PolarHBondContact N-O 3.25Å; F6-Q68 PolarHBondContact O-N 2.83Å; M49-Q68 HydrophobicContact CE-CG 4.24Å; M49-Q68 HydrophobicContact CG-CB 3.94Å; M49-Q68 HydrophobicContact CG-CG 4.05Å; M49-Q68 HydrophobicContact SD-CB 3.68Å; M49-Q68 HydrophobicContact SD-CG 3.47Å; M49-Q68 WeakPolarHBondContact SD-CG 3.37Å; I53-Q68 HydrophobicContact CD1-CG 4.06Å; L65-Q68 PolarHBondContact O-NE2 2.87Å; Q68-F70 HydrophobicContact CB-CE2 4.15Å; Q68-Y75 HydrophobicContact CB-CE2 4.47Å; Q68-Y75 PolarHBondContact OE1-OH 2.88Å
69I92.6Very high85.5Confident22 Ų2258.6 Ų58.611%0.11334%0.339CS..EExtended strand (participates in β ladder)trans-111.7129.3-172.1-52.4165.9000108.9V3 R4 V23 C76 G77V3-I69 HydrophobicContact CG1-CG2 3.84Å; R4-I69 WeakPolarHBondContact O-CA 3.35Å; V23-I69 HydrophobicContact CG1-CD1 3.57Å; V23-I69 HydrophobicContact CG1-CG1 3.99Å; V23-I69 HydrophobicContact CG2-CD1 4.23Å; I69-C76 HydrophobicContact CB-CB 4.21Å; I69-C76 HydrophobicContact CG2-CB 4.02Å; I69-C76 WeakPolarHBondContact O-CB 3.41Å; I69-C76 PolarHBondContact O-N 3.19Å; I69-G77 PolarHBondContact N-O 3.31Å
70F92.1Very high84.4Confident0 Ų062.4 Ų62.40%035%0.352CS..EExtended strand (participates in β ladder)trans-124.6144.3174.4-71.8-98.2000109.7V3 R4 F6 W48 M49 N52 I53 Q68 R74 Y75V3-F70 CarbonylContact C-O 3.6Å; V3-F70 WeakPolarHBondContact CA-O 3.42Å; R4-F70 HydrophobicContact CB-CB 4.48Å; R4-F70 PolarHBondContact N-O 3.2Å; R4-F70 PolarHBondContact O-N 3.44Å; F6-F70 AromaticContact CD2-CD2 3.55Å; F6-F70 HydrophobicContact CD2-CD2 3.55Å; F6-F70 AromaticContact CD2-CE2 3.97Å; F6-F70 HydrophobicContact CD2-CE2 3.97Å; F6-F70 HydrophobicContact CE2-CB 4.33Å; F6-F70 AromaticContact CE2-CD2 3.44Å; F6-F70 HydrophobicContact CE2-CD2 3.44Å; F6-F70 VanDerWaalsContact CE2-CD2 3.44Å; F6-F70 AromaticContact CE2-CE2 4Å; F6-F70 HydrophobicContact CE2-CE2 4Å; F6-F70 HydrophobicContact CE2-CG 4.12Å; W48-F70 AromaticContact CH2-CD1 3.92Å; W48-F70 HydrophobicContact CH2-CD1 3.92Å; W48-F70 HydrophobicContact CH2-CE1 4.23Å; W48-F70 HydrophobicContact CH2-CG 4.19Å; W48-F70 AromaticContact CZ3-CD1 3.96Å; W48-F70 HydrophobicContact CZ3-CD1 3.96Å; W48-F70 HydrophobicContact CZ3-CD2 4.1Å; W48-F70 HydrophobicContact CZ3-CE1 4.05Å; W48-F70 HydrophobicContact CZ3-CE2 4.17Å; W48-F70 AromaticContact CZ3-CG 3.97Å; W48-F70 HydrophobicContact CZ3-CG 3.97Å; W48-F70 HydrophobicContact CZ3-CZ 4.13Å; M49-F70 HydrophobicContact CG-CE2 4.14Å; N52-F70 HydrophobicContact CB-CE1 3.62Å; N52-F70 HydrophobicContact CB-CZ 3.96Å; N52-F70 WeakPolarHBondContact O-CE1 3.47Å; I53-F70 HydrophobicContact CG1-CE2 4.44Å; I53-F70 HydrophobicContact CG1-CZ 3.88Å; Q68-F70 HydrophobicContact CB-CE2 4.15Å; F70-R74 CarbonylContact C-O 3.57Å; F70-R74 WeakPolarHBondContact CA-O 3.37Å; F70-Y75 HydrophobicContact CD1-CD2 4.24Å; F70-Y75 HydrophobicContact CD2-CD2 4.3Å; F70-Y75 AromaticContact CE1-CD2 3.71Å; F70-Y75 HydrophobicContact CE1-CD2 3.71Å; F70-Y75 HydrophobicContact CE1-CG 4.2Å; F70-Y75 AromaticContact CE2-CD2 3.79Å; F70-Y75 HydrophobicContact CE2-CD2 3.79Å; F70-Y75 HydrophobicContact CE2-CE2 4.25Å; F70-Y75 AromaticContact CZ-CD2 3.49Å; F70-Y75 HydrophobicContact CZ-CD2 3.49Å; F70-Y75 VanDerWaalsContact CZ-CD2 3.49Å; F70-Y75 HydrophobicContact CZ-CE2 4.22Å; F70-Y75 HydrophobicContact CZ-CG 4.35Å
71N90.4Very high83.3Confident55 Ų5560.5 Ų60.529%0.29433%0.325SS..EExtended strand (participates in β ladder)trans-116.7101.5168.4-175.3-0.5000107.9M1 V3 D73 R74 C76M1-N71 WeakPolarHBondContact CB-OD1 3.28Å; V3-N71 HydrophobicContact CG2-CB 4.46Å; N71-D73 PolarHBondContact O-N 3.16Å; N71-R74 PolarHBondContact N-O 3.35Å; N71-R74 PolarHBondContact O-N 3.36Å; N71-R74 VanDerWaalsContact O-N 3.1Å; N71-C76 VanDerWaalsContact CB-SG 3.59Å
72G87.2Confident81.9Confident20 Ų2057.2 Ų57.221%0.20631%0.307CS..THydrogen-bonded Turntrans58.4-120.5-161.700000110.3V2 R4V2-G72 PolarHBondContact O-N 3.44Å; R4-G72 PolarHBondContact NH2-O 3.4Å
73D85.4Confident80.1Confident129 Ų12955.5 Ų55.569%0.6929%0.29SS*.THydrogen-bonded Turntrans-95.2-3.7179.1-54.6-40.8000113.2R4 N71R4-D73 IonicContact NH2-OD1 2.77Å; N71-D73 PolarHBondContact O-N 3.16Å
74R88.2Confident78Confident194 Ų19455.8 Ų55.873%0.73229%0.288SS*.EExtended strand (participates in β ladder)trans-85121.4179.6-174.1177.7176.2-175.3-0.3110.2F70 N71 C76F70-R74 CarbonylContact C-O 3.57Å; F70-R74 WeakPolarHBondContact CA-O 3.37Å; N71-R74 PolarHBondContact N-O 3.35Å; N71-R74 PolarHBondContact O-N 3.36Å; N71-R74 VanDerWaalsContact O-N 3.1Å; R74-C76 PolarHBondContact O-N 3.31Å
75Y90.6Very high75.9Confident37 Ų3760.4 Ų60.415%0.14531%0.311CS..EExtended strand (participates in β ladder)trans-70.9121.6171.1-179.5-111.8000111.2I53 P54 K57 Q68 F70 G78I53-Y75 HydrophobicContact CG1-CD2 4.11Å; I53-Y75 HydrophobicContact CG1-CE2 3.81Å; I53-Y75 HydrophobicContact CG2-CE1 4.42Å; I53-Y75 HydrophobicContact CG2-CE2 4.5Å; P54-Y75 HydrophobicContact CG-CD1 3.87Å; P54-Y75 HydrophobicContact CG-CG 4.23Å; K57-Y75 HydrophobicContact CB-CD1 4.2Å; K57-Y75 HydrophobicContact CB-CE1 3.53Å; K57-Y75 HydrophobicContact CG-CD1 4.07Å; K57-Y75 HydrophobicContact CG-CE1 3.71Å; Q68-Y75 HydrophobicContact CB-CE2 4.47Å; Q68-Y75 PolarHBondContact OE1-OH 2.88Å; F70-Y75 HydrophobicContact CD1-CD2 4.24Å; F70-Y75 HydrophobicContact CD2-CD2 4.3Å; F70-Y75 AromaticContact CE1-CD2 3.71Å; F70-Y75 HydrophobicContact CE1-CD2 3.71Å; F70-Y75 HydrophobicContact CE1-CG 4.2Å; F70-Y75 AromaticContact CE2-CD2 3.79Å; F70-Y75 HydrophobicContact CE2-CD2 3.79Å; F70-Y75 HydrophobicContact CE2-CE2 4.25Å; F70-Y75 AromaticContact CZ-CD2 3.49Å; F70-Y75 HydrophobicContact CZ-CD2 3.49Å; F70-Y75 VanDerWaalsContact CZ-CD2 3.49Å; F70-Y75 HydrophobicContact CZ-CE2 4.22Å; F70-Y75 HydrophobicContact CZ-CG 4.35Å; Y75-G78 PolarHBondContact OH-N 2.89Å
76C87.9Confident73.8Confident66 Ų6660.8 Ų60.845%0.44632%0.317SS..EExtended strand (participates in β ladder)trans-96.2-21.7-178.6-65.30000112.8I69 N71 R74I69-C76 HydrophobicContact CB-CB 4.21Å; I69-C76 HydrophobicContact CG2-CB 4.02Å; I69-C76 WeakPolarHBondContact O-CB 3.41Å; I69-C76 PolarHBondContact O-N 3.19Å; N71-C76 VanDerWaalsContact CB-SG 3.59Å; R74-C76 PolarHBondContact O-N 3.31Å
77G85.6Confident71.4Confident11 Ų1167 Ų6711%0.11335%0.346CS..EExtended strand (participates in β ladder)trans135.3179.7-179.500000112.6I69I69-G77 PolarHBondContact N-O 3.31Å
78G81.4Confident69Low12 Ų1271.1 Ų71.112%0.12438%0.375CS..EExtended strand (participates in β ladder)trans-143.8-154.6-176.300000114.6P67 Y75 H80 L81P67-G78 CarbonylContact O-C 3.35Å; P67-G78 WeakPolarHBondContact O-CA 3.37Å; Y75-G78 PolarHBondContact OH-N 2.89Å; G78-H80 PolarHBondContact O-N 3.22Å; G78-L81 PolarHBondContact O-N 3.04Å
79L64.8Low66.8Low37 Ų3779.8 Ų79.819%0.19441%0.412CS..THydrogen-bonded Turntrans-43-22.8-177.3-174.273.8000116.5I16 K19 L65 P66 P67I16-L79 HydrophobicContact CG1-CD1 4.23Å; I16-L79 HydrophobicContact CG1-CD2 4.38Å; K19-L79 HydrophobicContact CB-CD1 3.9Å; K19-L79 HydrophobicContact CD-CD1 3.24Å; K19-L79 HydrophobicContact CD-CG 3.97Å; K19-L79 HydrophobicContact CG-CD1 4.23Å; K19-L79 PolarHBondContact NZ-O 3.4Å; L65-L79 HydrophobicContact CB-CD2 3.96Å; L65-L79 HydrophobicContact CD1-CD2 4.39Å; P66-L79 WeakPolarHBondContact O-CD1 3.47Å; P67-L79 PolarHBondContact O-N 3.03Å
80H58.8Low64.7Low140 Ų14083 Ų8365%0.64844%0.441SS*.THydrogen-bonded Turntrans-90.83.8-177.8-138.484.1000115G78 K82 G83G78-H80 PolarHBondContact O-N 3.22Å; H80-K82 PolarHBondContact O-N 3.05Å; H80-K82 VanDerWaalsContact O-N 3.11Å; H80-G83 PolarHBondContact O-N 2.97Å
81L52.8Low62.5Low78 Ų7886.9 Ų86.941%0.40847%0.474SS..Hα-helixtrans-57.1-29-179-145.884.6000113.2G78 L85G78-L81 PolarHBondContact O-N 3.04Å; L81-L85 HydrophobicContact CD2-CD1 4.13Å; L81-L85 HydrophobicContact CG-CD1 4.28Å; L81-L85 WeakPolarHBondContact O-CG 3.42Å; L81-L85 PolarHBondContact O-N 2.77Å
82K46.1Very low59.9Low112 Ų11287.3 Ų87.349%0.48749%0.491SS..Hα-helixtrans-70.2-31.7175.7-69.9-86.4-178.61700113.1D22 H80 Q84 T86D22-K82 IonicContact OD2-NZ 3.61Å; H80-K82 PolarHBondContact O-N 3.05Å; H80-K82 VanDerWaalsContact O-N 3.11Å; K82-Q84 PolarHBondContact O-N 3.49Å; K82-T86 VanDerWaalsContact O-CB 3.26Å; K82-T86 WeakPolarHBondContact O-CB 3.41Å; K82-T86 PolarHBondContact O-N 3.22Å; K82-T86 PolarHBondContact O-OG1 2.63Å
83G43.2Very low57.7Low26 Ų2696.3 Ų96.327%0.26855%0.546SS..Hα-helixtrans-64.1-43.1-179.800000111.7H80 Q87H80-G83 PolarHBondContact O-N 2.97Å; G83-Q87 WeakPolarHBondContact O-CB 2.99Å; G83-Q87 WeakPolarHBondContact O-CG 2.97Å; G83-Q87 PolarHBondContact O-N 3.46Å; G83-Q87 VanDerWaalsContact O-N 3.1Å
84Q40.7Very low56.4Low113 Ų11394.7 Ų94.753%0.52854%0.539SS..Hα-helixtrans-72.5-43.6177.8-75.9166.692.400112.1K82 T86 Q87 S88K82-Q84 PolarHBondContact O-N 3.49Å; Q84-T86 VanDerWaalsContact C-N 3.31Å; Q84-T86 PolarHBondContact O-N 3.47Å; Q84-Q87 PolarHBondContact O-N 3.3Å; Q84-S88 WeakPolarHBondContact O-CB 3.34Å; Q84-S88 PolarHBondContact O-N 3.3Å; Q84-S88 PolarHBondContact O-OG 3.32Å
85L43.7Very low54.7Low109 Ų10989.4 Ų89.457%0.57153%0.529SS*.Hα-helixtrans-68-28.2178.8-70.4168.9000113.7L81 K89L81-L85 HydrophobicContact CD2-CD1 4.13Å; L81-L85 HydrophobicContact CG-CD1 4.28Å; L81-L85 WeakPolarHBondContact O-CG 3.42Å; L81-L85 PolarHBondContact O-N 2.77Å; L85-K89 PolarHBondContact O-N 3.39Å
86T43.9Very low52.7Low93 Ų9392.3 Ų92.357%0.57155%0.55SS*.Hα-helixtrans-81.6-34.5177.9-42.70000111.1K82 Q84 K89 A90K82-T86 VanDerWaalsContact O-CB 3.26Å; K82-T86 WeakPolarHBondContact O-CB 3.41Å; K82-T86 PolarHBondContact O-N 3.22Å; K82-T86 PolarHBondContact O-OG1 2.63Å; Q84-T86 VanDerWaalsContact C-N 3.31Å; Q84-T86 PolarHBondContact O-N 3.47Å; T86-K89 PolarHBondContact O-N 3.41Å; T86-A90 PolarHBondContact O-N 3.46Å
87Q39.9Very low50.6Low140 Ų14093.9 Ų93.965%0.65456%0.556SS**Hα-helixtrans-70.6-35.5171.6-75.7-173.1-53.500112.5G83 Q84 K89 A90 A91G83-Q87 WeakPolarHBondContact O-CB 2.99Å; G83-Q87 WeakPolarHBondContact O-CG 2.97Å; G83-Q87 PolarHBondContact O-N 3.46Å; G83-Q87 VanDerWaalsContact O-N 3.1Å; Q84-Q87 PolarHBondContact O-N 3.3Å; Q87-K89 PolarHBondContact O-N 2.88Å; Q87-A90 PolarHBondContact O-N 2.94Å; Q87-A90 VanDerWaalsContact O-N 3.14Å; Q87-A91 WeakPolarHBondContact O-CB 3.03Å; Q87-A91 PolarHBondContact O-N 3.15Å
88S42Very low48.4Very low89 Ų8999.1 Ų99.162%0.62258%0.584SS**Hα-helixtrans-64.5-21.6173.1-56.80000113.7Q84Q84-S88 WeakPolarHBondContact O-CB 3.34Å; Q84-S88 PolarHBondContact O-N 3.3Å; Q84-S88 PolarHBondContact O-OG 3.32Å
89K45.8Very low46.2Very low193 Ų193104.9 Ų104.984%0.83961%0.614SS**Hα-helixtrans-94.4-13.6175.1-150.4-178178.9-173.30113.3L85 T86 Q87L85-K89 PolarHBondContact O-N 3.39Å; T86-K89 PolarHBondContact O-N 3.41Å; Q87-K89 PolarHBondContact O-N 2.88Å
90A48Very low44.9Very low88 Ų88109.7 Ų109.773%0.72764%0.644SS**Hα-helixtrans-96.5-14.8174.800000112.9T86 Q87T86-A90 PolarHBondContact O-N 3.46Å; Q87-A90 PolarHBondContact O-N 2.94Å; Q87-A90 VanDerWaalsContact O-N 3.14Å
91A45.7Very low43.8Very low83 Ų83107.4 Ų107.469%0.68664%0.644SS**SBendtrans-108.476.8176.300000111Q87Q87-A91 WeakPolarHBondContact O-CB 3.03Å; Q87-A91 PolarHBondContact O-N 3.15Å
92G35.5Very low43.1Very low64 Ų64109.8 Ų109.866%0.6666%0.664SS**  trans137.1150.6146.200000116.3
93P42.7Very low42.8Very low208 Ų208109.6 Ų109.6100%1.35168%0.68SS**  cis-88.50-35.334.8-27.5000112.8

Retrieved 93 of 93 residues in 137.1 ms (Link to these results)

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