X5J4E9_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4E9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 99 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
1S96.6Very high93Very high108 Ų10871.1 Ų71.176%0.75546%0.458SS*.  0165.3052.40000109.1A59 Y60S1-A59 CarbonylContact C-O 3.53Å; S1-A59 WeakPolarHBondContact CA-O 3.45Å; S1-Y60 VanDerWaalsContact CB-CD1 3.45Å; S1-Y60 VanDerWaalsContact CB-CE1 3.46Å
2C96.6Very high92.7Very high21 Ų2168.7 Ų68.714%0.14243%0.433CS..EExtended strand (participates in β ladder)trans-142.4107.3178.4-179.40000109.1W16 T58 A59 C76C2-W16 HydrophobicContact CB-CH2 3.58Å; C2-W16 HydrophobicContact CB-CZ2 3.8Å; C2-W16 HydrophobicContact CB-CZ3 4.46Å; C2-T58 WeakPolarHBondContact O-CA 3.17Å; C2-A59 PolarHBondContact N-O 3.24Å; C2-A59 PolarHBondContact O-N 3.37Å; C2-C76 HydrophobicContact CB-CB 3.43Å; C2-C76 VanDerWaalsContact CB-CB 3.43Å; C2-C76 WeakPolarHBondContact CB-SG 3.28Å; C2-C76 WeakPolarHBondContact SG-CB 3.35Å; C2-C76 CovalentContact SG-SG 2.03Å; C2-C76 PolarHBondContact SG-SG 3.5Å
3K96.2Very high92.7Very high157 Ų15769.6 Ų69.668%0.68342%0.424SS*.EExtended strand (participates in β ladder)trans-91.4127.3179.9-174.1173.6-177.1177.70109.9T58K3-T58 HydrophobicContact CB-CG2 4.47Å
4A93.3Very high92.9Very high13 Ų1364.8 Ų64.811%0.10739%0.394CS..  trans-81.8148.6176.400000111.8Y7 F9 S57A4-Y7 HydrophobicContact CB-CE1 3.78Å; A4-Y7 HydrophobicContact CB-CE2 4.19Å; A4-Y7 VanDerWaalsContact CB-CZ 3.45Å; A4-Y7 WeakPolarHBondContact CB-OH 3.46Å; A4-F9 HydrophobicContact CB-CB 4.27Å; A4-F9 HydrophobicContact CB-CD2 3.33Å; A4-F9 HydrophobicContact CB-CE2 3.94Å; A4-F9 HydrophobicContact CB-CG 4.1Å; A4-S57 PolarHBondContact N-O 3.17Å
5S91.6Very high93.1Very high102 Ų10261.2 Ų61.271%0.71337%0.372SS*.  trans-147149.3173.760.60000110.4Y7S5-Y7 WeakPolarHBondContact O-CD1 3.29Å; S5-Y7 PolarHBondContact O-N 3.24Å
6G89.9Confident93.4Very high92 Ų9258.2 Ų58.295%0.94835%0.352SS*.SBendtrans76.313.8174.200000115.9
7Y88.6Confident93.6Very high63 Ų6355.1 Ų55.125%0.24733%0.333CS..SBendtrans-159.5165.1173.465.7-85.8000112.4A4 S5 F9 Y12 I14 R78A4-Y7 HydrophobicContact CB-CE1 3.78Å; A4-Y7 HydrophobicContact CB-CE2 4.19Å; A4-Y7 VanDerWaalsContact CB-CZ 3.45Å; A4-Y7 WeakPolarHBondContact CB-OH 3.46Å; S5-Y7 WeakPolarHBondContact O-CD1 3.29Å; S5-Y7 PolarHBondContact O-N 3.24Å; Y7-F9 HydrophobicContact CE2-CD2 4.45Å; Y7-F9 PolarHBondContact O-N 3Å; Y7-F9 VanDerWaalsContact O-N 3.08Å; Y7-Y12 AromaticContact CD2-CD2 3.52Å; Y7-Y12 HydrophobicContact CD2-CD2 3.52Å; Y7-Y12 AromaticContact CD2-CE2 3.83Å; Y7-Y12 HydrophobicContact CD2-CE2 3.83Å; Y7-Y12 AromaticContact CE2-CD2 3.84Å; Y7-Y12 HydrophobicContact CE2-CD2 3.84Å; Y7-Y12 HydrophobicContact CG-CD2 4.49Å; Y7-Y12 HydrophobicContact CG-CE2 4.44Å; Y7-I14 WeakPolarHBondContact OH-CD1 3.29Å; Y7-R78 VanDerWaalsContact CB-NH1 3.3Å; Y7-R78 VanDerWaalsContact CE2-CD 3.42Å
8T92.4Very high93.7Very high90 Ų9052.3 Ų52.355%0.55232%0.316SS*.  trans-67.4102.9171-53.50000110.3T10 S11T8-T10 PolarHBondContact O-N 3.04Å; T8-T10 VanDerWaalsContact O-N 3.12Å; T8-S11 WeakPolarHBondContact CB-OG 3.38Å; T8-S11 WeakPolarHBondContact CG2-OG 3.3Å; T8-S11 WeakPolarHBondContact O-CB 3.47Å; T8-S11 PolarHBondContact O-N 2.92Å
9F92.9Very high93.9Very high7 Ų753.1 Ų53.13%0.03132%0.316CS..G310 helixtrans-52.4-37.8-173178.4-125.7000113.9A4 Y7 S11 I14 P33 V52 S57 A59A4-F9 HydrophobicContact CB-CB 4.27Å; A4-F9 HydrophobicContact CB-CD2 3.33Å; A4-F9 HydrophobicContact CB-CE2 3.94Å; A4-F9 HydrophobicContact CB-CG 4.1Å; Y7-F9 HydrophobicContact CE2-CD2 4.45Å; Y7-F9 PolarHBondContact O-N 3Å; Y7-F9 VanDerWaalsContact O-N 3.08Å; F9-S11 VanDerWaalsContact C-N 3.27Å; F9-S11 PolarHBondContact O-N 3.18Å; F9-I14 HydrophobicContact CD2-CD1 4.36Å; F9-I14 HydrophobicContact CE2-CD1 3.92Å; F9-I14 HydrophobicContact CE2-CG1 3.74Å; F9-I14 HydrophobicContact CZ-CG1 4.38Å; F9-P33 HydrophobicContact CD1-CB 3.78Å; F9-P33 HydrophobicContact CD1-CG 4.4Å; F9-P33 HydrophobicContact CD2-CG 4.28Å; F9-P33 HydrophobicContact CE1-CB 3.52Å; F9-P33 HydrophobicContact CE1-CG 4.04Å; F9-P33 HydrophobicContact CE2-CB 4.3Å; F9-P33 HydrophobicContact CE2-CG 3.92Å; F9-P33 HydrophobicContact CG-CB 4.29Å; F9-P33 HydrophobicContact CZ-CB 3.8Å; F9-P33 HydrophobicContact CZ-CG 3.78Å; F9-V52 HydrophobicContact CE1-CB 4.42Å; F9-V52 HydrophobicContact CE1-CG1 4.46Å; F9-V52 HydrophobicContact CZ-CG1 4.26Å; F9-S57 VanDerWaalsContact CD1-CA 3.5Å; F9-A59 HydrophobicContact CE2-CB 4.45Å; F9-A59 HydrophobicContact CZ-CB 4.06Å
10T93.4Very high93.9Very high54 Ų5453.1 Ų53.133%0.33131%0.31SS..G310 helixtrans-75-8.9-178.653.70000114.7T8 Y12 S34T8-T10 PolarHBondContact O-N 3.04Å; T8-T10 VanDerWaalsContact O-N 3.12Å; T10-Y12 VanDerWaalsContact C-N 3.35Å; T10-S34 WeakPolarHBondContact O-CB 3.22Å
11S91.1Very high93.8Very high75 Ų7556.2 Ų56.252%0.52433%0.332SS..G310 helixtrans-83.3-8.9-178.5-58.40000113.9T8 F9T8-S11 WeakPolarHBondContact CB-OG 3.38Å; T8-S11 WeakPolarHBondContact CG2-OG 3.3Å; T8-S11 WeakPolarHBondContact O-CB 3.47Å; T8-S11 PolarHBondContact O-N 2.92Å; F9-S11 VanDerWaalsContact C-N 3.27Å; F9-S11 PolarHBondContact O-N 3.18Å
12Y89.5Confident93.6Very high42 Ų4255.6 Ų55.617%0.16534%0.342CS..SBendtrans-139.5144.7-173.3-55.8-91000112.5Y7 T10 P33 R78 R79 Y81Y7-Y12 AromaticContact CD2-CD2 3.52Å; Y7-Y12 HydrophobicContact CD2-CD2 3.52Å; Y7-Y12 AromaticContact CD2-CE2 3.83Å; Y7-Y12 HydrophobicContact CD2-CE2 3.83Å; Y7-Y12 AromaticContact CE2-CD2 3.84Å; Y7-Y12 HydrophobicContact CE2-CD2 3.84Å; Y7-Y12 HydrophobicContact CG-CD2 4.49Å; Y7-Y12 HydrophobicContact CG-CE2 4.44Å; T10-Y12 VanDerWaalsContact C-N 3.35Å; Y12-P33 WeakPolarHBondContact O-CD 3.44Å; Y12-P33 WeakPolarHBondContact O-CG 3.08Å; Y12-R78 HydrophobicContact CD1-CG 4.29Å; Y12-R78 HydrophobicContact CG-CG 3.9Å; Y12-R79 WeakPolarHBondContact CD1-O 3.38Å; Y12-Y81 AromaticContact CE1-CD2 3.8Å; Y12-Y81 HydrophobicContact CE1-CD2 3.8Å; Y12-Y81 HydrophobicContact CE1-CE2 4.39Å; Y12-Y81 AromaticContact CZ-CD2 3.82Å; Y12-Y81 WeakPolarHBondContact OH-CD2 3.49Å; Y12-Y81 VanDerWaalsContact OH-CE2 3.3Å; Y12-Y81 WeakPolarHBondContact OH-CE2 3.37Å
13W93Very high93.4Very high81 Ų8159.2 Ų59.231%0.30736%0.357SS..  trans-68.5140.8168.5-69.766.4000110.7N30 I31 N32 N39W13-N30 HydrophobicContact CE3-CB 3.98Å; W13-N30 WeakPolarHBondContact CZ3-OD1 3.33Å; W13-I31 WeakPolarHBondContact CA-O 3.33Å; W13-N32 HydrophobicContact CD2-CB 3.77Å; W13-N32 HydrophobicContact CE3-CB 3.98Å; W13-N32 HydrophobicContact CG-CB 4.39Å; W13-N32 HydrophobicContact CH2-CB 3.98Å; W13-N32 HydrophobicContact CZ2-CB 3.75Å; W13-N32 HydrophobicContact CZ3-CB 4.06Å; W13-N39 VanDerWaalsContact CH2-ND2 3.31Å; W13-N39 WeakPolarHBondContact CH2-ND2 3.36Å; W13-N39 WeakPolarHBondContact CZ3-ND2 3.43Å
14I95.3Very high93.3Very high2 Ų254.2 Ų54.21%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-103.1124171.4-51.6-58.7000108.2Y7 F9 N30 I31 P33 A59 C76 R78Y7-I14 WeakPolarHBondContact OH-CD1 3.29Å; F9-I14 HydrophobicContact CD2-CD1 4.36Å; F9-I14 HydrophobicContact CE2-CD1 3.92Å; F9-I14 HydrophobicContact CE2-CG1 3.74Å; F9-I14 HydrophobicContact CZ-CG1 4.38Å; I14-N30 CarbonylContact O-C 3.49Å; I14-N30 WeakPolarHBondContact O-CA 3.41Å; I14-N30 WeakPolarHBondContact O-CB 3.49Å; I14-I31 HydrophobicContact CB-CG2 4.16Å; I14-I31 PolarHBondContact N-O 2.92Å; I14-I31 PolarHBondContact O-N 2.82Å; I14-P33 HydrophobicContact CG1-CG 3.82Å; I14-A59 HydrophobicContact CB-CB 4.13Å; I14-A59 HydrophobicContact CG1-CB 4.15Å; I14-A59 HydrophobicContact CG2-CB 3.9Å; I14-C76 HydrophobicContact CG2-CB 4.3Å; I14-R78 HydrophobicContact CD1-CG 4.49Å
15T95.9Very high93.3Very high11 Ų1158.2 Ų58.27%0.06737%0.37CS..EExtended strand (participates in β ladder)trans-106.4138.4-177-66.10000109.9V17 G29 C76 A77 L86T15-V17 HydrophobicContact CG2-CG2 3.89Å; T15-G29 WeakPolarHBondContact CA-O 3.37Å; T15-C76 CarbonylContact O-C 3.47Å; T15-C76 VanDerWaalsContact O-CA 3.28Å; T15-C76 WeakPolarHBondContact O-CA 3.48Å; T15-A77 PolarHBondContact N-O 2.81Å; T15-A77 PolarHBondContact O-N 3.18Å; T15-L86 HydrophobicContact CG2-CD1 4.1Å; T15-L86 HydrophobicContact CG2-CD2 4.08Å
16W97.4Very high93.5Very high13 Ų1355 Ų555%0.04934%0.344CS..EExtended strand (participates in β ladder)trans-109.1137173.4-66.595000110.5C2 I28 G29 L50 A59 M61 Y75 C76C2-W16 HydrophobicContact CB-CH2 3.58Å; C2-W16 HydrophobicContact CB-CZ2 3.8Å; C2-W16 HydrophobicContact CB-CZ3 4.46Å; W16-I28 HydrophobicContact CB-CB 4.16Å; W16-I28 HydrophobicContact CB-CD1 4.45Å; W16-I28 HydrophobicContact CB-CG2 4.5Å; W16-I28 WeakPolarHBondContact O-CB 3.34Å; W16-I28 PolarHBondContact O-N 2.82Å; W16-G29 PolarHBondContact N-O 2.99Å; W16-L50 VanDerWaalsContact CD1-CD2 3.48Å; W16-L50 HydrophobicContact CG-CD2 4.18Å; W16-A59 HydrophobicContact CZ2-CB 4.41Å; W16-M61 HydrophobicContact CB-SD 3.84Å; W16-M61 HydrophobicContact CD2-CB 3.77Å; W16-M61 HydrophobicContact CD2-CE 4.31Å; W16-M61 HydrophobicContact CD2-SD 4.05Å; W16-M61 HydrophobicContact CE3-CB 4.15Å; W16-M61 HydrophobicContact CE3-CE 3.87Å; W16-M61 HydrophobicContact CE3-SD 4.21Å; W16-M61 HydrophobicContact CG-CB 4.19Å; W16-M61 HydrophobicContact CG-SD 3.9Å; W16-M61 HydrophobicContact CH2-CB 4.3Å; W16-M61 HydrophobicContact CZ2-CB 3.95Å; W16-M61 HydrophobicContact CZ3-CB 4.39Å; W16-M61 HydrophobicContact CZ3-CE 4.38Å; W16-Y75 WeakPolarHBondContact CA-O 2.94Å; W16-C76 HydrophobicContact CD2-CB 4.27Å; W16-C76 HydrophobicContact CE3-CB 3.96Å; W16-C76 HydrophobicContact CH2-CB 3.99Å; W16-C76 HydrophobicContact CZ2-CB 4.29Å; W16-C76 HydrophobicContact CZ3-CB 3.81Å
17V96.8Very high93.8Very high5 Ų555 Ų553%0.0332%0.315CS..EExtended strand (participates in β ladder)trans-139.6140.8-176.2-175.40000108.3T15 L25 E26 Y75 L86 W89T15-V17 HydrophobicContact CG2-CG2 3.89Å; V17-L25 HydrophobicContact CG1-CB 3.75Å; V17-L25 HydrophobicContact CG1-CD2 3.84Å; V17-L25 HydrophobicContact CG1-CG 4.28Å; V17-E26 CarbonylContact C-O 3.44Å; V17-E26 WeakPolarHBondContact CA-O 2.92Å; V17-E26 WeakPolarHBondContact CG1-O 3.5Å; V17-Y75 PolarHBondContact N-O 2.91Å; V17-Y75 PolarHBondContact O-N 2.82Å; V17-L86 HydrophobicContact CG2-CD1 4.22Å; V17-W89 HydrophobicContact CB-CH2 4.18Å; V17-W89 HydrophobicContact CB-CZ3 3.92Å; V17-W89 HydrophobicContact CG1-CH2 4.21Å; V17-W89 HydrophobicContact CG1-CZ3 4.22Å; V17-W89 HydrophobicContact CG2-CH2 3.82Å; V17-W89 HydrophobicContact CG2-CZ3 3.92Å
18K96Very high94.2Very high5 Ų552 Ų522%0.02230%0.303CS..EExtended strand (participates in β ladder)trans-111.2153.3167.671.9178.9-155.8-168.20111.5E26 I28 F44 D70 A72 V73 Y74K18-E26 WeakPolarHBondContact CE-OE1 3.4Å; K18-E26 HydrophobicContact CG-CB 3.8Å; K18-E26 PolarHBondContact N-O 2.74Å; K18-E26 IonicContact NZ-OE1 3.73Å; K18-E26 PolarHBondContact O-N 3.13Å; K18-I28 HydrophobicContact CB-CD1 4.06Å; K18-I28 HydrophobicContact CG-CD1 4.45Å; K18-I28 HydrophobicContact CG-CG1 4.48Å; K18-F44 HydrophobicContact CD-CE1 3.57Å; K18-F44 HydrophobicContact CD-CZ 3.6Å; K18-F44 HydrophobicContact CG-CE1 4.48Å; K18-F44 HydrophobicContact CG-CZ 4.19Å; K18-F44 VanDerWaalsContact NZ-CE1 3.3Å; K18-D70 IonicContact NZ-OD1 3.78Å; K18-A72 HydrophobicContact CB-CB 4.14Å; K18-V73 CarbonylContact C-O 3.53Å; K18-V73 WeakPolarHBondContact CA-O 3.3Å; K18-Y74 HydrophobicContact CB-CD1 3.75Å; K18-Y74 HydrophobicContact CB-CE1 3.66Å; K18-Y74 HydrophobicContact CB-CG 4.37Å; K18-Y74 HydrophobicContact CD-CE1 4.19Å
19Q97.1Very high94.4Very high68 Ų6847.7 Ų47.732%0.31828%0.277SS..EExtended strand (participates in β ladder)trans-135.3118.7174.1-166.9-178.221.300109.7L25 A72 V73 Y75Q19-L25 HydrophobicContact CB-CD2 3.91Å; Q19-L25 HydrophobicContact CG-CD2 4.05Å; Q19-A72 WeakPolarHBondContact O-CA 3.22Å; Q19-A72 VanDerWaalsContact O-CB 3.29Å; Q19-A72 WeakPolarHBondContact O-CB 3.42Å; Q19-V73 PolarHBondContact N-O 3.12Å; Q19-V73 PolarHBondContact O-N 3.28Å; Q19-Y75 HydrophobicContact CB-CE2 3.76Å; Q19-Y75 PolarHBondContact OE1-OH 3.01Å; Q19-Y75 VanDerWaalsContact OE1-OH 3.04Å
20R95.3Very high94.5Very high52 Ų5248.7 Ų48.720%0.19628%0.283CS..  trans-84.8150.8170.9-69.2170.5174.6163.4-4.1110G22 Q23 E26 E69 A72R20-G22 PolarHBondContact O-N 2.85Å; R20-Q23 HydrophobicContact CB-CB 4.01Å; R20-Q23 HydrophobicContact CB-CG 4.03Å; R20-Q23 VanDerWaalsContact CD-OE1 3.25Å; R20-Q23 PolarHBondContact O-N 2.94Å; R20-E26 IonicContact NH1-OE1 3.95Å; R20-E69 PolarHBondContact NE-O 2.93Å; R20-E69 PolarHBondContact NH2-O 2.88Å; R20-A72 HydrophobicContact CG-CB 4.05Å
21P91.4Very high94.6Very high120 Ų12046.2 Ų46.278%0.77927%0.267SS*.THydrogen-bonded Turntrans-52.7126.9173.6-25.434.6000111.3Q23P21-Q23 PolarHBondContact O-N 3.42Å
22G91.8Very high94.8Very high94 Ų9443.5 Ų43.597%0.96925%0.247SC*.THydrogen-bonded Turntrans71.94.3-179.400000115.9R20R20-G22 PolarHBondContact O-N 2.85Å
23Q93.2Very high95.1Very high97 Ų9741.5 Ų41.545%0.45324%0.239SC..SBendtrans-113.1162.4176.7-56.5-169.73.700112R20 P21R20-Q23 HydrophobicContact CB-CB 4.01Å; R20-Q23 HydrophobicContact CB-CG 4.03Å; R20-Q23 VanDerWaalsContact CD-OE1 3.25Å; R20-Q23 PolarHBondContact O-N 2.94Å; P21-Q23 PolarHBondContact O-N 3.42Å
24G92.9Very high95.2Very high53 Ų5340.1 Ų40.155%0.54624%0.242SC..  trans-68.2173.9174.500000113.3
25L94.6Very high95.2Very high96 Ų9645.5 Ų45.550%0.50327%0.271SS..EExtended strand (participates in β ladder)trans-71.5128.8173.4-66.9174000110.4V17 Q19 W89V17-L25 HydrophobicContact CG1-CB 3.75Å; V17-L25 HydrophobicContact CG1-CD2 3.84Å; V17-L25 HydrophobicContact CG1-CG 4.28Å; Q19-L25 HydrophobicContact CB-CD2 3.91Å; Q19-L25 HydrophobicContact CG-CD2 4.05Å; L25-W89 HydrophobicContact CD1-CH2 3.86Å; L25-W89 HydrophobicContact CD1-CZ2 4.33Å
26E95.6Very high95.2Very high36 Ų3646.7 Ų46.717%0.16828%0.284CS..EExtended strand (participates in β ladder)trans-108.7116.5174.4-67.4-172.4-94.700109.9V17 K18 R20 I28V17-E26 CarbonylContact C-O 3.44Å; V17-E26 WeakPolarHBondContact CA-O 2.92Å; V17-E26 WeakPolarHBondContact CG1-O 3.5Å; K18-E26 WeakPolarHBondContact CE-OE1 3.4Å; K18-E26 HydrophobicContact CG-CB 3.8Å; K18-E26 PolarHBondContact N-O 2.74Å; K18-E26 IonicContact NZ-OE1 3.73Å; K18-E26 PolarHBondContact O-N 3.13Å; R20-E26 IonicContact NH1-OE1 3.95Å; E26-I28 PolarHBondContact O-N 2.82Å
27W95.4Very high95.2Very high91 Ų9147.3 Ų47.335%0.34530%0.295SS..EExtended strand (participates in β ladder)trans-70.8127.2175.317969.7000110.7G29 N30 N39 Y40 N41W27-G29 VanDerWaalsContact CZ2-C 3.5Å; W27-G29 PolarHBondContact NE1-O 3.14Å; W27-N30 HydrophobicContact CZ2-CB 4.44Å; W27-N30 WeakPolarHBondContact CZ2-ND2 3.5Å; W27-N39 HydrophobicContact CH2-CB 4.07Å; W27-N39 HydrophobicContact CZ2-CB 4.31Å; W27-Y40 VanDerWaalsContact CZ3-C 3.48Å; W27-N41 HydrophobicContact CE3-CB 3.65Å; W27-N41 HydrophobicContact CZ3-CB 3.76Å; W27-N41 VanDerWaalsContact CZ3-N 3.27Å; W27-N41 WeakPolarHBondContact O-CB 3.14Å; W27-N41 PolarHBondContact O-ND2 3.07Å
28I96.9Very high95.2Very high0 Ų049.7 Ų49.70%031%0.31CS..EExtended strand (participates in β ladder)trans-92.7-49.1179.4-66.2171.3000110.5W16 K18 E26 N41 F44 A48 M61 Y74W16-I28 HydrophobicContact CB-CB 4.16Å; W16-I28 HydrophobicContact CB-CD1 4.45Å; W16-I28 HydrophobicContact CB-CG2 4.5Å; W16-I28 WeakPolarHBondContact O-CB 3.34Å; W16-I28 PolarHBondContact O-N 2.82Å; K18-I28 HydrophobicContact CB-CD1 4.06Å; K18-I28 HydrophobicContact CG-CD1 4.45Å; K18-I28 HydrophobicContact CG-CG1 4.48Å; E26-I28 PolarHBondContact O-N 2.82Å; I28-N41 PolarHBondContact O-N 3.18Å; I28-F44 HydrophobicContact CB-CD2 4.39Å; I28-F44 HydrophobicContact CB-CG 4.28Å; I28-F44 HydrophobicContact CG1-CD1 4.06Å; I28-F44 HydrophobicContact CG1-CD2 4.22Å; I28-F44 HydrophobicContact CG1-CE1 4.12Å; I28-F44 HydrophobicContact CG1-CE2 4.26Å; I28-F44 HydrophobicContact CG1-CG 4.11Å; I28-F44 HydrophobicContact CG1-CZ 4.21Å; I28-F44 HydrophobicContact CG2-CB 3.82Å; I28-F44 HydrophobicContact CG2-CD1 4.35Å; I28-F44 HydrophobicContact CG2-CG 3.99Å; I28-A48 HydrophobicContact CG2-CB 3.87Å; I28-M61 HydrophobicContact CD1-CE 4.17Å; I28-M61 HydrophobicContact CD1-SD 3.81Å; I28-M61 HydrophobicContact CG2-SD 3.95Å; I28-Y74 HydrophobicContact CD1-CD1 3.69Å; I28-Y74 HydrophobicContact CD1-CE1 3.73Å
29G96.1Very high95.2Very high0 Ų053.2 Ų53.20%033%0.329CS..EExtended strand (participates in β ladder)trans173174.7-169.600000112.1T15 W16 W27 N39T15-G29 WeakPolarHBondContact CA-O 3.37Å; W16-G29 PolarHBondContact N-O 2.99Å; W27-G29 VanDerWaalsContact CZ2-C 3.5Å; W27-G29 PolarHBondContact NE1-O 3.14Å; G29-N39 CarbonylContact C-O 3.59Å; G29-N39 WeakPolarHBondContact CA-O 3.28Å
30N95.9Very high95.2Very high28 Ų2852.4 Ų52.415%0.1532%0.323CS..EExtended strand (participates in β ladder)trans-143.8156.2169.957.544000111.2W13 I14 W27 T38 N39W13-N30 HydrophobicContact CE3-CB 3.98Å; W13-N30 WeakPolarHBondContact CZ3-OD1 3.33Å; I14-N30 CarbonylContact O-C 3.49Å; I14-N30 WeakPolarHBondContact O-CA 3.41Å; I14-N30 WeakPolarHBondContact O-CB 3.49Å; W27-N30 HydrophobicContact CZ2-CB 4.44Å; W27-N30 WeakPolarHBondContact CZ2-ND2 3.5Å; N30-T38 CarbonylContact O-C 3.47Å; N30-T38 VanDerWaalsContact O-CA 3.31Å; N30-T38 WeakPolarHBondContact O-CA 3.03Å; N30-N39 PolarHBondContact N-O 3.5Å; N30-N39 PolarHBondContact O-N 2.97Å; N30-N39 WeakPolarHBondContact OD1-CB 3.29Å; N30-N39 PolarHBondContact OD1-ND2 3.45Å
31I96.6Very high95.2Very high2 Ų252 Ų521%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-130.1136.9178.1-173.8157.9000109.8W13 I14 P33 G37 T38 L50 V52 A59W13-I31 WeakPolarHBondContact CA-O 3.33Å; I14-I31 HydrophobicContact CB-CG2 4.16Å; I14-I31 PolarHBondContact N-O 2.92Å; I14-I31 PolarHBondContact O-N 2.82Å; I31-P33 WeakPolarHBondContact O-CD 3.38Å; I31-G37 CarbonylContact C-O 3.56Å; I31-G37 WeakPolarHBondContact CA-O 3.45Å; I31-T38 HydrophobicContact CB-CG2 4Å; I31-T38 HydrophobicContact CD1-CG2 3.66Å; I31-T38 HydrophobicContact CG1-CG2 3.75Å; I31-L50 HydrophobicContact CB-CB 4.1Å; I31-L50 HydrophobicContact CB-CD1 4.3Å; I31-L50 HydrophobicContact CD1-CB 3.99Å; I31-L50 WeakPolarHBondContact CD1-O 3.25Å; I31-L50 HydrophobicContact CG2-CB 4.48Å; I31-V52 HydrophobicContact CD1-CG1 3.72Å; I31-V52 HydrophobicContact CD1-CG2 4.43Å; I31-V52 HydrophobicContact CG1-CG1 3.87Å; I31-V52 HydrophobicContact CG2-CG1 3.93Å; I31-A59 HydrophobicContact CG2-CB 4.4Å
32N95.3Very high95.3Very high18 Ų1852.7 Ų52.710%0.09632%0.318CS..  trans-88.8111.5171.3-174.7-8.4000109.6W13 S34 N35 G36 G37W13-N32 HydrophobicContact CD2-CB 3.77Å; W13-N32 HydrophobicContact CE3-CB 3.98Å; W13-N32 HydrophobicContact CG-CB 4.39Å; W13-N32 HydrophobicContact CH2-CB 3.98Å; W13-N32 HydrophobicContact CZ2-CB 3.75Å; W13-N32 HydrophobicContact CZ3-CB 4.06Å; N32-S34 PolarHBondContact ND2-OG 3.11Å; N32-S34 PolarHBondContact O-N 2.63Å; N32-S34 PolarHBondContact OD1-N 2.88Å; N32-S34 PolarHBondContact OD1-OG 2.89Å; N32-N35 WeakPolarHBondContact CB-OD1 2.99Å; N32-N35 PolarHBondContact ND2-OD1 3.24Å; N32-N35 PolarHBondContact O-N 3.01Å; N32-G36 VanDerWaalsContact O-CA 3.28Å; N32-G36 WeakPolarHBondContact O-CA 2.98Å; N32-G36 PolarHBondContact O-N 2.71Å; N32-G37 PolarHBondContact N-O 2.88Å
33P95.6Very high95.3Very high0 Ų055.1 Ų55.10%030%0.302CS..THydrogen-bonded Turntrans-68.5-14.3-179-16.831.8000114.1F9 Y12 I14 I31 V52 K54F9-P33 HydrophobicContact CD1-CB 3.78Å; F9-P33 HydrophobicContact CD1-CG 4.4Å; F9-P33 HydrophobicContact CD2-CG 4.28Å; F9-P33 HydrophobicContact CE1-CB 3.52Å; F9-P33 HydrophobicContact CE1-CG 4.04Å; F9-P33 HydrophobicContact CE2-CB 4.3Å; F9-P33 HydrophobicContact CE2-CG 3.92Å; F9-P33 HydrophobicContact CG-CB 4.29Å; F9-P33 HydrophobicContact CZ-CB 3.8Å; F9-P33 HydrophobicContact CZ-CG 3.78Å; Y12-P33 WeakPolarHBondContact O-CD 3.44Å; Y12-P33 WeakPolarHBondContact O-CG 3.08Å; I14-P33 HydrophobicContact CG1-CG 3.82Å; I31-P33 WeakPolarHBondContact O-CD 3.38Å; P33-V52 HydrophobicContact CB-CG1 4.05Å; P33-V52 HydrophobicContact CG-CG1 4.28Å; P33-K54 WeakPolarHBondContact O-CE 3.41Å
34S95.1Very high95.4Very high52 Ų5250.8 Ų50.836%0.36428%0.282SS..THydrogen-bonded Turntrans-72.2-44.4178.2720000112.7T10 N32 K54T10-S34 WeakPolarHBondContact O-CB 3.22Å; N32-S34 PolarHBondContact ND2-OG 3.11Å; N32-S34 PolarHBondContact O-N 2.63Å; N32-S34 PolarHBondContact OD1-N 2.88Å; N32-S34 PolarHBondContact OD1-OG 2.89Å; S34-K54 WeakPolarHBondContact O-CE 3.45Å; S34-K54 PolarHBondContact O-NZ 3.47Å
35N95.3Very high95.4Very high115 Ų11553.6 Ų53.662%0.61528%0.279SS*.THydrogen-bonded Turntrans-125.2-2.2-172.866.28.8000114.4N32 G37N32-N35 WeakPolarHBondContact CB-OD1 2.99Å; N32-N35 PolarHBondContact ND2-OD1 3.24Å; N32-N35 PolarHBondContact O-N 3.01Å; N35-G37 PolarHBondContact O-N 3.06Å; N35-G37 PolarHBondContact OD1-N 3.08Å
36G95.3Very high95.3Very high35 Ų3553.9 Ų53.936%0.36129%0.289SS..  trans76.26.8-179.100000114.4N32 T38N32-G36 VanDerWaalsContact O-CA 3.28Å; N32-G36 WeakPolarHBondContact O-CA 2.98Å; N32-G36 PolarHBondContact O-N 2.71Å; G36-T38 PolarHBondContact O-N 2.87Å
37G96.6Very high95.3Very high27 Ų2754.4 Ų54.428%0.27829%0.29SS..  trans-60.4135.3176.800000111.2I31 N32 N35I31-G37 CarbonylContact C-O 3.56Å; I31-G37 WeakPolarHBondContact CA-O 3.45Å; N32-G37 PolarHBondContact N-O 2.88Å; N35-G37 PolarHBondContact O-N 3.06Å; N35-G37 PolarHBondContact OD1-N 3.08Å
38T97.1Very high95.3Very high54 Ų5450.1 Ų50.133%0.33128%0.275SS..EExtended strand (participates in β ladder)trans-124.4144-176.849.60000111.3N30 I31 G36 Y40 L50N30-T38 CarbonylContact O-C 3.47Å; N30-T38 VanDerWaalsContact O-CA 3.31Å; N30-T38 WeakPolarHBondContact O-CA 3.03Å; I31-T38 HydrophobicContact CB-CG2 4Å; I31-T38 HydrophobicContact CD1-CG2 3.66Å; I31-T38 HydrophobicContact CG1-CG2 3.75Å; G36-T38 PolarHBondContact O-N 2.87Å; T38-Y40 HydrophobicContact CG2-CE2 4.42Å; T38-Y40 WeakPolarHBondContact OG1-CE2 3.31Å; T38-L50 HydrophobicContact CG2-CB 3.92Å
39N96.1Very high95.4Very high79 Ų7953.4 Ų53.442%0.42230%0.295SS..EExtended strand (participates in β ladder)trans-123146.6164.3-57-64.7000109W13 W27 G29 N30W13-N39 VanDerWaalsContact CH2-ND2 3.31Å; W13-N39 WeakPolarHBondContact CH2-ND2 3.36Å; W13-N39 WeakPolarHBondContact CZ3-ND2 3.43Å; W27-N39 HydrophobicContact CH2-CB 4.07Å; W27-N39 HydrophobicContact CZ2-CB 4.31Å; G29-N39 CarbonylContact C-O 3.59Å; G29-N39 WeakPolarHBondContact CA-O 3.28Å; N30-N39 PolarHBondContact N-O 3.5Å; N30-N39 PolarHBondContact O-N 2.97Å; N30-N39 WeakPolarHBondContact OD1-CB 3.29Å; N30-N39 PolarHBondContact OD1-ND2 3.45Å
40Y96.6Very high95.5Very high52 Ų5253.9 Ų53.920%0.20430%0.297CS..EExtended strand (participates in β ladder)trans-128.2150.7-179.3-66.4-86.7000110.5W27 T38 K45 A48 L50W27-Y40 VanDerWaalsContact CZ3-C 3.48Å; T38-Y40 HydrophobicContact CG2-CE2 4.42Å; T38-Y40 WeakPolarHBondContact OG1-CE2 3.31Å; Y40-K45 HydrophobicContact CD2-CG 4.42Å; Y40-K45 HydrophobicContact CG-CB 4.46Å; Y40-K45 HydrophobicContact CG-CG 4.26Å; Y40-A48 HydrophobicContact CE1-CB 4.41Å; Y40-A48 WeakPolarHBondContact CE1-O 3.42Å; Y40-L50 HydrophobicContact CE1-CD1 4.07Å; Y40-L50 HydrophobicContact CE1-CG 3.71Å; Y40-L50 PolarHBondContact OH-N 2.84Å
41N95.4Very high95.6Very high44 Ų4455.9 Ų55.924%0.23531%0.31CS..  trans-76.1132.1155.3179.1-22.5000107.9W27 I28 K43 F44 K45W27-N41 HydrophobicContact CE3-CB 3.65Å; W27-N41 HydrophobicContact CZ3-CB 3.76Å; W27-N41 VanDerWaalsContact CZ3-N 3.27Å; W27-N41 WeakPolarHBondContact O-CB 3.14Å; W27-N41 PolarHBondContact O-ND2 3.07Å; I28-N41 PolarHBondContact O-N 3.18Å; N41-K43 PolarHBondContact O-N 2.79Å; N41-K43 PolarHBondContact OD1-N 3.09Å; N41-K43 VanDerWaalsContact OD1-N 3.11Å; N41-F44 HydrophobicContact CB-CD2 3.93Å; N41-F44 PolarHBondContact O-N 2.84Å; N41-K45 PolarHBondContact O-N 2.79Å
42E94.5Very high95.7Very high133 Ų13357.5 Ų57.562%0.62132%0.321SS*.THydrogen-bonded Turntrans-54.9-30-176.7-68.4-61.214800112.7F44 K45E42-F44 PolarHBondContact O-N 2.95Å; E42-K45 IonicContact OE1-NZ 2.85Å; E42-K45 PolarHBondContact OE1-NZ 3.12Å; E42-K45 VanDerWaalsContact OE2-CD 3.25Å; E42-K45 WeakPolarHBondContact OE2-CD 3.34Å; E42-K45 IonicContact OE2-NZ 3.37Å; E42-K45 PolarHBondContact OE2-NZ 3.06Å
43K92.1Very high95.7Very high146 Ų14659.2 Ų59.264%0.63533%0.329SS*.THydrogen-bonded Turntrans-60.7-26.1174.4-67.8-175.9178.9-178.30114.4N41N41-K43 PolarHBondContact O-N 2.79Å; N41-K43 PolarHBondContact OD1-N 3.09Å; N41-K43 VanDerWaalsContact OD1-N 3.11Å
44F93.9Very high95.7Very high6 Ų664.7 Ų64.73%0.02635%0.353CS..THydrogen-bonded Turntrans-114.3-8.9-172.7-62.6-82.3000113.6K18 I28 N41 E42 S46 K47 A48K18-F44 HydrophobicContact CD-CE1 3.57Å; K18-F44 HydrophobicContact CD-CZ 3.6Å; K18-F44 HydrophobicContact CG-CE1 4.48Å; K18-F44 HydrophobicContact CG-CZ 4.19Å; K18-F44 VanDerWaalsContact NZ-CE1 3.3Å; I28-F44 HydrophobicContact CB-CD2 4.39Å; I28-F44 HydrophobicContact CB-CG 4.28Å; I28-F44 HydrophobicContact CG1-CD1 4.06Å; I28-F44 HydrophobicContact CG1-CD2 4.22Å; I28-F44 HydrophobicContact CG1-CE1 4.12Å; I28-F44 HydrophobicContact CG1-CE2 4.26Å; I28-F44 HydrophobicContact CG1-CG 4.11Å; I28-F44 HydrophobicContact CG1-CZ 4.21Å; I28-F44 HydrophobicContact CG2-CB 3.82Å; I28-F44 HydrophobicContact CG2-CD1 4.35Å; I28-F44 HydrophobicContact CG2-CG 3.99Å; N41-F44 HydrophobicContact CB-CD2 3.93Å; N41-F44 PolarHBondContact O-N 2.84Å; E42-F44 PolarHBondContact O-N 2.95Å; F44-S46 PolarHBondContact O-N 2.85Å; F44-S46 VanDerWaalsContact O-N 3.14Å; F44-K47 CarbonylContact O-C 3.48Å; F44-K47 PolarHBondContact O-N 3.12Å; F44-A48 HydrophobicContact CB-CB 4.38Å; F44-A48 PolarHBondContact O-N 3.22Å
45K92.7Very high95.7Very high112 Ų11267.6 Ų67.649%0.48737%0.373SS..THydrogen-bonded Turntrans-58.4-30-174.4-166.5176.7-171.6175.20113.7Y40 N41 E42Y40-K45 HydrophobicContact CD2-CG 4.42Å; Y40-K45 HydrophobicContact CG-CB 4.46Å; Y40-K45 HydrophobicContact CG-CG 4.26Å; N41-K45 PolarHBondContact O-N 2.79Å; E42-K45 IonicContact OE1-NZ 2.85Å; E42-K45 PolarHBondContact OE1-NZ 3.12Å; E42-K45 VanDerWaalsContact OE2-CD 3.25Å; E42-K45 WeakPolarHBondContact OE2-CD 3.34Å; E42-K45 IonicContact OE2-NZ 3.37Å; E42-K45 PolarHBondContact OE2-NZ 3.06Å
46S93.6Very high95.8Very high102 Ų10263.8 Ų63.871%0.71336%0.356SS*.THydrogen-bonded Turntrans-87.6-14.2175.4580000114.4F44F44-S46 PolarHBondContact O-N 2.85Å; F44-S46 VanDerWaalsContact O-N 3.14Å
47K94.7Very high95.8Very high46 Ų4664.1 Ų64.120%0.235%0.353CS..THydrogen-bonded Turntrans-108.7-24.5-174.5-67.7-171.5174-169.20113.6F44 L63 S64 D70F44-K47 CarbonylContact O-C 3.48Å; F44-K47 PolarHBondContact O-N 3.12Å; K47-L63 CarbonylContact O-C 3.6Å; K47-L63 VanDerWaalsContact O-CA 3.29Å; K47-L63 WeakPolarHBondContact O-CA 3.44Å; K47-S64 PolarHBondContact O-N 2.86Å; K47-S64 PolarHBondContact O-OG 3.09Å; K47-D70 IonicContact NZ-OD1 3.24Å; K47-D70 PolarHBondContact NZ-OD1 3.37Å; K47-D70 IonicContact NZ-OD2 2.71Å; K47-D70 PolarHBondContact NZ-OD2 2.94Å
48A97Very high95.9Very high2 Ų263.2 Ų63.22%0.01734%0.342CS..EExtended strand (participates in β ladder)trans-118.6130.6-172.800000111.2I28 Y40 F44 M61 Q62 L63I28-A48 HydrophobicContact CG2-CB 3.87Å; Y40-A48 HydrophobicContact CE1-CB 4.41Å; Y40-A48 WeakPolarHBondContact CE1-O 3.42Å; F44-A48 HydrophobicContact CB-CB 4.38Å; F44-A48 PolarHBondContact O-N 3.22Å; A48-M61 HydrophobicContact CB-CG 4.4Å; A48-Q62 CarbonylContact C-O 3.46Å; A48-Q62 WeakPolarHBondContact CA-O 3.21Å; A48-L63 HydrophobicContact CB-CD2 4.01Å
49T98.1Very high95.9Very high69 Ų6960.7 Ų60.742%0.42333%0.326SS..EExtended strand (participates in β ladder)trans-116.4121.7169.7-59.50000108.7T51 M61 Q62T49-T51 HydrophobicContact CG2-CG2 4.26Å; T49-M61 WeakPolarHBondContact O-CA 3.16Å; T49-Q62 PolarHBondContact N-O 2.87Å; T49-Q62 PolarHBondContact O-N 2.77Å
50L98.1Very high96Very high9 Ų961.1 Ų61.15%0.04732%0.323CS..EExtended strand (participates in β ladder)trans-99.2131.8178.2-52.9-175.5000110.7W16 I31 T38 Y40 Y60 M61W16-L50 VanDerWaalsContact CD1-CD2 3.48Å; W16-L50 HydrophobicContact CG-CD2 4.18Å; I31-L50 HydrophobicContact CB-CB 4.1Å; I31-L50 HydrophobicContact CB-CD1 4.3Å; I31-L50 HydrophobicContact CD1-CB 3.99Å; I31-L50 WeakPolarHBondContact CD1-O 3.25Å; I31-L50 HydrophobicContact CG2-CB 4.48Å; T38-L50 HydrophobicContact CG2-CB 3.92Å; Y40-L50 HydrophobicContact CE1-CD1 4.07Å; Y40-L50 HydrophobicContact CE1-CG 3.71Å; Y40-L50 PolarHBondContact OH-N 2.84Å; L50-Y60 WeakPolarHBondContact CA-O 3.42Å; L50-M61 HydrophobicContact CD2-CB 3.7Å; L50-M61 HydrophobicContact CD2-CG 3.61Å; L50-M61 HydrophobicContact CD2-SD 4.24Å
51T98.1Very high96.1Very high70 Ų7060 Ų6043%0.42932%0.319SS..EExtended strand (participates in β ladder)trans-137.9165.4175.864.30000111.2T49 Y60T49-T51 HydrophobicContact CG2-CG2 4.26Å; T51-Y60 PolarHBondContact N-O 2.75Å; T51-Y60 PolarHBondContact O-N 2.03Å; T51-Y60 WeakPolarHBondContact OG1-CB 3.37Å
52V97.6Very high96.2Very high37 Ų3764.3 Ų64.322%0.22434%0.338CS..EExtended strand (participates in β ladder)trans-134.3143176.5-68.90000110.8F9 I31 P33 A59F9-V52 HydrophobicContact CE1-CB 4.42Å; F9-V52 HydrophobicContact CE1-CG1 4.46Å; F9-V52 HydrophobicContact CZ-CG1 4.26Å; I31-V52 HydrophobicContact CD1-CG1 3.72Å; I31-V52 HydrophobicContact CD1-CG2 4.43Å; I31-V52 HydrophobicContact CG1-CG1 3.87Å; I31-V52 HydrophobicContact CG2-CG1 3.93Å; P33-V52 HydrophobicContact CB-CG1 4.05Å; P33-V52 HydrophobicContact CG-CG1 4.28Å; V52-A59 HydrophobicContact CG1-CB 4.22Å
53D97Very high96.3Very high53 Ų5360 Ų6028%0.28332%0.319SS..EExtended strand (participates in β ladder)trans-113.3109.6163.5173.711.4000108.2S55 S56 S57 T58 Y60D53-S55 VanDerWaalsContact C-N 3.32Å; D53-S55 WeakPolarHBondContact OD1-CB 3.13Å; D53-S55 PolarHBondContact OD1-N 2.79Å; D53-S55 PolarHBondContact OD1-OG 3.18Å; D53-S55 PolarHBondContact OD2-OG 3.19Å; D53-S56 VanDerWaalsContact OD2-CB 3.24Å; D53-S56 WeakPolarHBondContact OD2-CB 3.15Å; D53-S56 PolarHBondContact OD2-OG 2.82Å; D53-S57 PolarHBondContact O-N 3.14Å; D53-S57 VanDerWaalsContact O-N 3.15Å; D53-T58 PolarHBondContact N-O 3.2Å; D53-T58 PolarHBondContact O-N 2.87Å; D53-Y60 HydrophobicContact CB-CE2 3.88Å
54K95.3Very high96.4Very high116 Ų11655.3 Ų55.350%0.50431%0.305SS..THydrogen-bonded Turntrans-68.9-32.7-179.3-61.9178.5-178.3-179.30111.8P33 S34 S56 S57P33-K54 WeakPolarHBondContact O-CE 3.41Å; S34-K54 WeakPolarHBondContact O-CE 3.45Å; S34-K54 PolarHBondContact O-NZ 3.47Å; K54-S56 PolarHBondContact O-N 2.95Å; K54-S57 PolarHBondContact O-N 2.61Å
55S94.9Very high96.3Very high112 Ų11260 Ų6078%0.78334%0.338SS*.THydrogen-bonded Turntrans-66.9-39.2-175.672.30000111.7D53D53-S55 VanDerWaalsContact C-N 3.32Å; D53-S55 WeakPolarHBondContact OD1-CB 3.13Å; D53-S55 PolarHBondContact OD1-N 2.79Å; D53-S55 PolarHBondContact OD1-OG 3.18Å; D53-S55 PolarHBondContact OD2-OG 3.19Å
56S96.4Very high96.3Very high36 Ų3657.2 Ų57.225%0.25233%0.329SS..THydrogen-bonded Turntrans-93.8-1176.867.20000114D53 K54 T58D53-S56 VanDerWaalsContact OD2-CB 3.24Å; D53-S56 WeakPolarHBondContact OD2-CB 3.15Å; D53-S56 PolarHBondContact OD2-OG 2.82Å; K54-S56 PolarHBondContact O-N 2.95Å; S56-T58 VanDerWaalsContact C-N 3.26Å; S56-T58 PolarHBondContact O-N 2.88Å; S56-T58 PolarHBondContact O-OG1 2.9Å; S56-T58 WeakPolarHBondContact OG-CB 2.96Å; S56-T58 PolarHBondContact OG-OG1 2.85Å
57S96.4Very high96.4Very high42 Ų4255.4 Ų55.429%0.29431%0.313SS..THydrogen-bonded Turntrans52.643.3-172.2-63.80000112.9A4 F9 D53 K54A4-S57 PolarHBondContact N-O 3.17Å; F9-S57 VanDerWaalsContact CD1-CA 3.5Å; D53-S57 PolarHBondContact O-N 3.14Å; D53-S57 VanDerWaalsContact O-N 3.15Å; K54-S57 PolarHBondContact O-N 2.61Å
58T97.8Very high96.4Very high8 Ų856.4 Ų56.45%0.04933%0.326CS..EExtended strand (participates in β ladder)trans-120.6129.9-174-52.10000111.2C2 K3 D53 S56 Y60C2-T58 WeakPolarHBondContact O-CA 3.17Å; K3-T58 HydrophobicContact CB-CG2 4.47Å; D53-T58 PolarHBondContact N-O 3.2Å; D53-T58 PolarHBondContact O-N 2.87Å; S56-T58 VanDerWaalsContact C-N 3.26Å; S56-T58 PolarHBondContact O-N 2.88Å; S56-T58 PolarHBondContact O-OG1 2.9Å; S56-T58 WeakPolarHBondContact OG-CB 2.96Å; S56-T58 PolarHBondContact OG-OG1 2.85Å; T58-Y60 HydrophobicContact CG2-CD1 4.44Å; T58-Y60 HydrophobicContact CG2-CD2 4.21Å; T58-Y60 HydrophobicContact CG2-CE1 3.84Å; T58-Y60 HydrophobicContact CG2-CE2 3.58Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.31Å
59A97.7Very high96.1Very high0 Ų062.7 Ų62.70%036%0.355CS..EExtended strand (participates in β ladder)trans-95.8145.5166.800000110.2S1 C2 F9 I14 W16 I31 V52S1-A59 CarbonylContact C-O 3.53Å; S1-A59 WeakPolarHBondContact CA-O 3.45Å; C2-A59 PolarHBondContact N-O 3.24Å; C2-A59 PolarHBondContact O-N 3.37Å; F9-A59 HydrophobicContact CE2-CB 4.45Å; F9-A59 HydrophobicContact CZ-CB 4.06Å; I14-A59 HydrophobicContact CB-CB 4.13Å; I14-A59 HydrophobicContact CG1-CB 4.15Å; I14-A59 HydrophobicContact CG2-CB 3.9Å; W16-A59 HydrophobicContact CZ2-CB 4.41Å; I31-A59 HydrophobicContact CG2-CB 4.4Å; V52-A59 HydrophobicContact CG1-CB 4.22Å
60Y98.3Very high95.9Very high88 Ų8859.6 Ų59.635%0.34534%0.336SS..EExtended strand (participates in β ladder)trans-124.6147.3178.7-58.9-94.7000110S1 L50 T51 D53 T58S1-Y60 VanDerWaalsContact CB-CD1 3.45Å; S1-Y60 VanDerWaalsContact CB-CE1 3.46Å; L50-Y60 WeakPolarHBondContact CA-O 3.42Å; T51-Y60 PolarHBondContact N-O 2.75Å; T51-Y60 PolarHBondContact O-N 2.03Å; T51-Y60 WeakPolarHBondContact OG1-CB 3.37Å; D53-Y60 HydrophobicContact CB-CE2 3.88Å; T58-Y60 HydrophobicContact CG2-CD1 4.44Å; T58-Y60 HydrophobicContact CG2-CD2 4.21Å; T58-Y60 HydrophobicContact CG2-CE1 3.84Å; T58-Y60 HydrophobicContact CG2-CE2 3.58Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.31Å
61M97.9Very high95.8Very high28 Ų2860.8 Ų60.814%0.13835%0.345CS..EExtended strand (participates in β ladder)trans-126.2117.4165.5178178.169.100106W16 I28 A48 T49 L50 L63 Y74W16-M61 HydrophobicContact CB-SD 3.84Å; W16-M61 HydrophobicContact CD2-CB 3.77Å; W16-M61 HydrophobicContact CD2-CE 4.31Å; W16-M61 HydrophobicContact CD2-SD 4.05Å; W16-M61 HydrophobicContact CE3-CB 4.15Å; W16-M61 HydrophobicContact CE3-CE 3.87Å; W16-M61 HydrophobicContact CE3-SD 4.21Å; W16-M61 HydrophobicContact CG-CB 4.19Å; W16-M61 HydrophobicContact CG-SD 3.9Å; W16-M61 HydrophobicContact CH2-CB 4.3Å; W16-M61 HydrophobicContact CZ2-CB 3.95Å; W16-M61 HydrophobicContact CZ3-CB 4.39Å; W16-M61 HydrophobicContact CZ3-CE 4.38Å; I28-M61 HydrophobicContact CD1-CE 4.17Å; I28-M61 HydrophobicContact CD1-SD 3.81Å; I28-M61 HydrophobicContact CG2-SD 3.95Å; A48-M61 HydrophobicContact CB-CG 4.4Å; T49-M61 WeakPolarHBondContact O-CA 3.16Å; L50-M61 HydrophobicContact CD2-CB 3.7Å; L50-M61 HydrophobicContact CD2-CG 3.61Å; L50-M61 HydrophobicContact CD2-SD 4.24Å; M61-L63 HydrophobicContact CE-CD1 3.89Å; M61-L63 HydrophobicContact CE-CD2 4.13Å; M61-L63 HydrophobicContact CE-CG 4.02Å; M61-L63 HydrophobicContact CG-CD2 4.23Å; M61-L63 HydrophobicContact CG-CG 4.32Å; M61-L63 HydrophobicContact SD-CD2 4.07Å; M61-L63 HydrophobicContact SD-CG 4.47Å; M61-Y74 HydrophobicContact CE-CD1 3.66Å; M61-Y74 HydrophobicContact CE-CE1 4.26Å; M61-Y74 HydrophobicContact CE-CG 4.36Å
62Q97.8Very high95.8Very high136 Ų13657.4 Ų57.464%0.63632%0.324SS*.EExtended strand (participates in β ladder)trans-94.6127.8169.6-177.8175.33.600107.8A48 T49A48-Q62 CarbonylContact C-O 3.46Å; A48-Q62 WeakPolarHBondContact CA-O 3.21Å; T49-Q62 PolarHBondContact N-O 2.87Å; T49-Q62 PolarHBondContact O-N 2.77Å
63L96.2Very high95.8Very high42 Ų4257.5 Ų57.522%0.2233%0.325CS..EExtended strand (participates in β ladder)trans-106.1135.4175.2-67.8170.6000109.3K47 A48 M61 L66 Y74K47-L63 CarbonylContact O-C 3.6Å; K47-L63 VanDerWaalsContact O-CA 3.29Å; K47-L63 WeakPolarHBondContact O-CA 3.44Å; A48-L63 HydrophobicContact CB-CD2 4.01Å; M61-L63 HydrophobicContact CE-CD1 3.89Å; M61-L63 HydrophobicContact CE-CD2 4.13Å; M61-L63 HydrophobicContact CE-CG 4.02Å; M61-L63 HydrophobicContact CG-CD2 4.23Å; M61-L63 HydrophobicContact CG-CG 4.32Å; M61-L63 HydrophobicContact SD-CD2 4.07Å; M61-L63 HydrophobicContact SD-CG 4.47Å; L63-L66 HydrophobicContact CB-CD1 3.92Å; L63-L66 HydrophobicContact CB-CD2 3.87Å; L63-L66 HydrophobicContact CB-CG 4.04Å; L63-L66 HydrophobicContact CD1-CD1 4.32Å; L63-L66 HydrophobicContact CD1-CD2 4.28Å; L63-L66 HydrophobicContact CG-CD2 4.45Å; L63-Y74 HydrophobicContact CD1-CD1 4.25Å; L63-Y74 HydrophobicContact CD1-CE1 3.76Å
64S95.1Very high95.8Very high48 Ų4855.5 Ų55.534%0.33631%0.313SS..  trans-128.6157.5177.657.40000110.8K47 L66K47-S64 PolarHBondContact O-N 2.86Å; K47-S64 PolarHBondContact O-OG 3.09Å; S64-L66 PolarHBondContact O-N 2.85Å
65S92.1Very high96Very high103 Ų10352 Ų5272%0.7230%0.297SS*.SBendtrans52.642.5176.9-54.10000113.3
66L93.3Very high96Very high55 Ų5547.4 Ų47.429%0.28827%0.265SS..  trans-71141.1-179.7-68.2-178.2000111.2L63 S64 D70 V95 V97L63-L66 HydrophobicContact CB-CD1 3.92Å; L63-L66 HydrophobicContact CB-CD2 3.87Å; L63-L66 HydrophobicContact CB-CG 4.04Å; L63-L66 HydrophobicContact CD1-CD1 4.32Å; L63-L66 HydrophobicContact CD1-CD2 4.28Å; L63-L66 HydrophobicContact CG-CD2 4.45Å; S64-L66 PolarHBondContact O-N 2.85Å; L66-D70 WeakPolarHBondContact CA-OD2 3.34Å; L66-D70 HydrophobicContact CB-CB 4.49Å; L66-D70 HydrophobicContact CD2-CB 3.68Å; L66-V95 HydrophobicContact CD1-CG1 4.43Å; L66-V97 HydrophobicContact CB-CG1 4.37Å; L66-V97 HydrophobicContact CB-CG2 3.97Å; L66-V97 HydrophobicContact CD1-CG2 4.05Å
67T94.4Very high96Very high63 Ų6345.9 Ų45.939%0.38726%0.255SS..  trans-115.6172.2171.567.50000110.5E69 D70 V97T67-E69 PolarHBondContact O-N 2.86Å; T67-E69 VanDerWaalsContact O-N 3.13Å; T67-D70 PolarHBondContact N-OD2 3.43Å; T67-D70 WeakPolarHBondContact O-CB 3.49Å; T67-D70 PolarHBondContact O-N 3.01Å; T67-V97 WeakPolarHBondContact O-CB 3.08Å
68S94.2Very high95.7Very high68 Ų6845 Ų4548%0.47625%0.245SC..G310 helixtrans-55.3-30.917755.10000113.3D70 S71 V97S68-D70 PolarHBondContact O-N 2.9Å; S68-S71 VanDerWaalsContact O-CB 3.29Å; S68-S71 WeakPolarHBondContact O-CB 3.43Å; S68-S71 PolarHBondContact O-N 3.08Å; S68-S71 VanDerWaalsContact O-N 3.14Å; S68-S71 PolarHBondContact O-OG 2.86Å; S68-V97 WeakPolarHBondContact CA-O 3.4Å
69E91.1Very high94.8Very high133 Ų13350.9 Ų50.962%0.62127%0.266SS*.G310 helixtrans-66.2-19.3175.1-60.3-174.1176.600113.8R20 T67 S71R20-E69 PolarHBondContact NE-O 2.93Å; R20-E69 PolarHBondContact NH2-O 2.88Å; T67-E69 PolarHBondContact O-N 2.86Å; T67-E69 VanDerWaalsContact O-N 3.13Å; E69-S71 PolarHBondContact O-N 2.89Å
70D93.9Very high93.4Very high5 Ų551.6 Ų51.63%0.02727%0.274CS..G310 helixtrans-83.8-0.4176.8-63-49.5000112.4K18 K47 L66 T67 S68 A72 Y74K18-D70 IonicContact NZ-OD1 3.78Å; K47-D70 IonicContact NZ-OD1 3.24Å; K47-D70 PolarHBondContact NZ-OD1 3.37Å; K47-D70 IonicContact NZ-OD2 2.71Å; K47-D70 PolarHBondContact NZ-OD2 2.94Å; L66-D70 WeakPolarHBondContact CA-OD2 3.34Å; L66-D70 HydrophobicContact CB-CB 4.49Å; L66-D70 HydrophobicContact CD2-CB 3.68Å; T67-D70 PolarHBondContact N-OD2 3.43Å; T67-D70 WeakPolarHBondContact O-CB 3.49Å; T67-D70 PolarHBondContact O-N 3.01Å; S68-D70 PolarHBondContact O-N 2.9Å; D70-A72 PolarHBondContact O-N 3.34Å; D70-Y74 WeakPolarHBondContact O-CE2 3.4Å; D70-Y74 PolarHBondContact O-OH 3.02Å
71S96.2Very high91.5Very high33 Ų3356.2 Ų56.223%0.23129%0.292CS..  trans-62.5116.2172.8-62.60000110.9S68 E69 V95 V97S68-S71 VanDerWaalsContact O-CB 3.29Å; S68-S71 WeakPolarHBondContact O-CB 3.43Å; S68-S71 PolarHBondContact O-N 3.08Å; S68-S71 VanDerWaalsContact O-N 3.14Å; S68-S71 PolarHBondContact O-OG 2.86Å; E69-S71 PolarHBondContact O-N 2.89Å; S71-V95 VanDerWaalsContact CA-O 3.3Å; S71-V95 WeakPolarHBondContact CA-O 3.42Å; S71-V97 PolarHBondContact OG-N 2.83Å; S71-V97 PolarHBondContact OG-O 2.99Å
72A97.3Very high89.9Confident0 Ų065.2 Ų65.20%033%0.326CS..EExtended strand (participates in β ladder)trans-166.2167.8-172.600000110.9K18 Q19 R20 D70 Y74 V95K18-A72 HydrophobicContact CB-CB 4.14Å; Q19-A72 WeakPolarHBondContact O-CA 3.22Å; Q19-A72 VanDerWaalsContact O-CB 3.29Å; Q19-A72 WeakPolarHBondContact O-CB 3.42Å; R20-A72 HydrophobicContact CG-CB 4.05Å; D70-A72 PolarHBondContact O-N 3.34Å; A72-Y74 HydrophobicContact CB-CD2 4.34Å; A72-Y74 HydrophobicContact CB-CE2 3.81Å; A72-Y74 WeakPolarHBondContact O-CD2 3.4Å; A72-V95 PolarHBondContact N-O 2.91Å; A72-V95 VanDerWaalsContact N-O 3.07Å; A72-V95 PolarHBondContact O-N 2.76Å
73V98.2Very high88Confident38 Ų3859.9 Ų59.923%0.2331%0.308CS..EExtended strand (participates in β ladder)trans-85.4127.4162.2-1720000108.4K18 Q19 Y75 T93 L94K18-V73 CarbonylContact C-O 3.53Å; K18-V73 WeakPolarHBondContact CA-O 3.3Å; Q19-V73 PolarHBondContact N-O 3.12Å; Q19-V73 PolarHBondContact O-N 3.28Å; V73-Y75 HydrophobicContact CB-CE2 3.82Å; V73-Y75 HydrophobicContact CG1-CD1 4.45Å; V73-Y75 HydrophobicContact CG1-CD2 4.3Å; V73-Y75 HydrophobicContact CG1-CE1 3.78Å; V73-Y75 HydrophobicContact CG1-CE2 3.62Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.41Å; V73-T93 WeakPolarHBondContact CA-O 3.47Å; V73-L94 HydrophobicContact CG2-CD1 4.24Å
74Y98.1Very high86.4Confident12 Ų1263.3 Ų63.35%0.04734%0.335CS..EExtended strand (participates in β ladder)trans-106.2129179.2-70.4-96.1000110K18 I28 M61 L63 D70 A72 G92 T93 V95K18-Y74 HydrophobicContact CB-CD1 3.75Å; K18-Y74 HydrophobicContact CB-CE1 3.66Å; K18-Y74 HydrophobicContact CB-CG 4.37Å; K18-Y74 HydrophobicContact CD-CE1 4.19Å; I28-Y74 HydrophobicContact CD1-CD1 3.69Å; I28-Y74 HydrophobicContact CD1-CE1 3.73Å; M61-Y74 HydrophobicContact CE-CD1 3.66Å; M61-Y74 HydrophobicContact CE-CE1 4.26Å; M61-Y74 HydrophobicContact CE-CG 4.36Å; L63-Y74 HydrophobicContact CD1-CD1 4.25Å; L63-Y74 HydrophobicContact CD1-CE1 3.76Å; D70-Y74 WeakPolarHBondContact O-CE2 3.4Å; D70-Y74 PolarHBondContact O-OH 3.02Å; A72-Y74 HydrophobicContact CB-CD2 4.34Å; A72-Y74 HydrophobicContact CB-CE2 3.81Å; A72-Y74 WeakPolarHBondContact O-CD2 3.4Å; Y74-G92 CarbonylContact O-C 3.6Å; Y74-G92 WeakPolarHBondContact O-CA 3.39Å; Y74-T93 PolarHBondContact N-O 3.21Å; Y74-T93 PolarHBondContact O-N 3.28Å; Y74-V95 HydrophobicContact CD2-CB 3.79Å; Y74-V95 HydrophobicContact CD2-CG2 3.65Å; Y74-V95 HydrophobicContact CE2-CB 3.73Å; Y74-V95 HydrophobicContact CE2-CG1 4.47Å; Y74-V95 HydrophobicContact CE2-CG2 4.04Å; Y74-V95 HydrophobicContact CG-CG2 4.49Å
75Y97.8Very high85.1Confident41 Ų4164.5 Ų64.516%0.16134%0.343CS..EExtended strand (participates in β ladder)trans-117.7145-178.4-55.5-90.1000110.4W16 V17 Q19 V73 W89W16-Y75 WeakPolarHBondContact CA-O 2.94Å; V17-Y75 PolarHBondContact N-O 2.91Å; V17-Y75 PolarHBondContact O-N 2.82Å; Q19-Y75 HydrophobicContact CB-CE2 3.76Å; Q19-Y75 PolarHBondContact OE1-OH 3.01Å; Q19-Y75 VanDerWaalsContact OE1-OH 3.04Å; V73-Y75 HydrophobicContact CB-CE2 3.82Å; V73-Y75 HydrophobicContact CG1-CD1 4.45Å; V73-Y75 HydrophobicContact CG1-CD2 4.3Å; V73-Y75 HydrophobicContact CG1-CE1 3.78Å; V73-Y75 HydrophobicContact CG1-CE2 3.62Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.41Å; Y75-W89 HydrophobicContact CD1-CE3 4.46Å; Y75-W89 HydrophobicContact CG-CE3 4.12Å; Y75-W89 HydrophobicContact CG-CZ3 4.24Å
76C96.6Very high84.4Confident16 Ų1662.1 Ų62.111%0.10832%0.322CS..EExtended strand (participates in β ladder)trans-101.4147.5156.7640000109.5C2 I14 T15 W16 G90C2-C76 HydrophobicContact CB-CB 3.43Å; C2-C76 VanDerWaalsContact CB-CB 3.43Å; C2-C76 WeakPolarHBondContact CB-SG 3.28Å; C2-C76 WeakPolarHBondContact SG-CB 3.35Å; C2-C76 CovalentContact SG-SG 2.03Å; C2-C76 PolarHBondContact SG-SG 3.5Å; I14-C76 HydrophobicContact CG2-CB 4.3Å; T15-C76 CarbonylContact O-C 3.47Å; T15-C76 VanDerWaalsContact O-CA 3.28Å; T15-C76 WeakPolarHBondContact O-CA 3.48Å; W16-C76 HydrophobicContact CD2-CB 4.27Å; W16-C76 HydrophobicContact CE3-CB 3.96Å; W16-C76 HydrophobicContact CH2-CB 3.99Å; W16-C76 HydrophobicContact CZ2-CB 4.29Å; W16-C76 HydrophobicContact CZ3-CB 3.81Å; C76-G90 PolarHBondContact O-N 2.58Å
77A94.8Very high83.7Confident4 Ų461.7 Ų61.73%0.03333%0.327CS..EExtended strand (participates in β ladder)trans-144.5154.9177.700000111.2T15 L86 Y88 W89T15-A77 PolarHBondContact N-O 2.81Å; T15-A77 PolarHBondContact O-N 3.18Å; A77-L86 HydrophobicContact CB-CB 4.07Å; A77-L86 HydrophobicContact CB-CD1 3.94Å; A77-L86 HydrophobicContact CB-CD2 3.89Å; A77-L86 HydrophobicContact CB-CG 4.17Å; A77-Y88 CarbonylContact C-O 3.57Å; A77-Y88 WeakPolarHBondContact CA-O 3.24Å; A77-Y88 WeakPolarHBondContact CB-O 3.4Å; A77-W89 HydrophobicContact CB-CD2 3.66Å; A77-W89 HydrophobicContact CB-CE3 3.79Å; A77-W89 HydrophobicContact CB-CG 4.1Å; A77-W89 HydrophobicContact CB-CH2 4.4Å; A77-W89 HydrophobicContact CB-CZ2 4.31Å; A77-W89 HydrophobicContact CB-CZ3 4.15Å
78R90.2Very high83.4Confident25 Ų2565.4 Ų65.49%0.09434%0.335CS..EExtended strand (participates in β ladder)trans-114.5136.5176.5-173.9-170.870.8155.6-8.4110Y7 Y12 I14 A87 Y88Y7-R78 VanDerWaalsContact CB-NH1 3.3Å; Y7-R78 VanDerWaalsContact CE2-CD 3.42Å; Y12-R78 HydrophobicContact CD1-CG 4.29Å; Y12-R78 HydrophobicContact CG-CG 3.9Å; I14-R78 HydrophobicContact CD1-CG 4.49Å; R78-A87 PolarHBondContact O-N 3.29Å; R78-A87 VanDerWaalsContact O-N 3.09Å; R78-Y88 PolarHBondContact N-O 2.99Å; R78-Y88 PolarHBondContact O-N 2.99Å
79R79.1Confident83.4Confident131 Ų13167 Ų6749%0.49433%0.33SS..EExtended strand (participates in β ladder)trans-67.2139.3172.2-161.8177.1-173.4-176.5-2.3110.6Y12 G83Y12-R79 WeakPolarHBondContact CD1-O 3.38Å; R79-G83 VanDerWaalsContact NE-C 3.34Å; R79-G83 PolarHBondContact NE-O 2.82Å; R79-G83 PolarHBondContact NH2-O 2.94Å
80G68Low83.6Confident15 Ų1562 Ų6216%0.15532%0.315CS..  trans-70.7163.2172.200000113Y82 G83 S85G80-Y82 PolarHBondContact O-N 3.47Å; G80-G83 PolarHBondContact O-N 3.41Å; G80-G83 VanDerWaalsContact O-N 3.09Å; G80-S85 PolarHBondContact N-O 3.27Å
81Y58.8Low83.6Confident185 Ų18570.8 Ų70.873%0.72536%0.355SS*.THydrogen-bonded Turntrans-55.6-33.8-177.9-141.4-103000113.6Y12Y12-Y81 AromaticContact CE1-CD2 3.8Å; Y12-Y81 HydrophobicContact CE1-CD2 3.8Å; Y12-Y81 HydrophobicContact CE1-CE2 4.39Å; Y12-Y81 AromaticContact CZ-CD2 3.82Å; Y12-Y81 WeakPolarHBondContact OH-CD2 3.49Å; Y12-Y81 VanDerWaalsContact OH-CE2 3.3Å; Y12-Y81 WeakPolarHBondContact OH-CE2 3.37Å
82Y65.8Low83.7Confident216 Ų21670.3 Ų70.385%0.84736%0.356SS*.THydrogen-bonded Turntrans-93.211-177.4-59.1-75.2000114.2G80 S84G80-Y82 PolarHBondContact O-N 3.47Å; Y82-S84 PolarHBondContact O-N 3.15Å; Y82-S84 VanDerWaalsContact O-N 3.12Å
83G57.5Low83.7Confident25 Ų2574.9 Ų74.926%0.25838%0.384SS..SBendtrans75.21.6157.800000117.9R79 G80R79-G83 VanDerWaalsContact NE-C 3.34Å; R79-G83 PolarHBondContact NE-O 2.82Å; R79-G83 PolarHBondContact NH2-O 2.94Å; G80-G83 PolarHBondContact O-N 3.41Å; G80-G83 VanDerWaalsContact O-N 3.09Å
84S62Low83.6Confident114 Ų11478.7 Ų78.780%0.79740%0.403SS*.SBendtrans-106.4-21.4-177.346.60000115.1Y82Y82-S84 PolarHBondContact O-N 3.15Å; Y82-S84 VanDerWaalsContact O-N 3.12Å
85S67.6Low83.6Confident73 Ų7380.2 Ų80.251%0.5141%0.413SS..SBendtrans-134.7152.3-174.7610000114.2G80 A87G80-S85 PolarHBondContact N-O 3.27Å; S85-A87 PolarHBondContact O-N 3.15Å; S85-A87 VanDerWaalsContact O-N 3.12Å
86L76.9Confident83.5Confident52 Ų5283.2 Ų83.227%0.27244%0.436SS..EExtended strand (participates in β ladder)trans-73.695.1165.8-67.9176.2000107.8T15 V17 A77 W89T15-L86 HydrophobicContact CG2-CD1 4.1Å; T15-L86 HydrophobicContact CG2-CD2 4.08Å; V17-L86 HydrophobicContact CG2-CD1 4.22Å; A77-L86 HydrophobicContact CB-CB 4.07Å; A77-L86 HydrophobicContact CB-CD1 3.94Å; A77-L86 HydrophobicContact CB-CD2 3.89Å; A77-L86 HydrophobicContact CB-CG 4.17Å; L86-W89 HydrophobicContact CB-CZ2 3.6Å; L86-W89 HydrophobicContact CD1-CH2 3.53Å; L86-W89 HydrophobicContact CD1-CZ2 3.27Å; L86-W89 HydrophobicContact CD1-CZ3 4.49Å; L86-W89 HydrophobicContact CG-CZ2 4.06Å; L86-W89 PolarHBondContact O-NE1 3.39Å
87A79.1Confident83.5Confident47 Ų4784 Ų8439%0.38844%0.44SS..EExtended strand (participates in β ladder)trans-80.9-24.3-170.100000113R78 S85R78-A87 PolarHBondContact O-N 3.29Å; R78-A87 VanDerWaalsContact O-N 3.09Å; S85-A87 PolarHBondContact O-N 3.15Å; S85-A87 VanDerWaalsContact O-N 3.12Å
88Y88.3Confident83.3Confident141 Ų14188.8 Ų88.855%0.55347%0.473SS*.EExtended strand (participates in β ladder)trans-135.5129.2-177.1-58.6-90.2000109.9A77 R78A77-Y88 CarbonylContact C-O 3.57Å; A77-Y88 WeakPolarHBondContact CA-O 3.24Å; A77-Y88 WeakPolarHBondContact CB-O 3.4Å; R78-Y88 PolarHBondContact N-O 2.99Å; R78-Y88 PolarHBondContact O-N 2.99Å
89W93.6Very high82.9Confident101 Ų10195.1 Ų95.138%0.38353%0.531SS..EExtended strand (participates in β ladder)trans-121.4142.4-177.6-6977.6000110.3V17 L25 Y75 A77 L86V17-W89 HydrophobicContact CB-CH2 4.18Å; V17-W89 HydrophobicContact CB-CZ3 3.92Å; V17-W89 HydrophobicContact CG1-CH2 4.21Å; V17-W89 HydrophobicContact CG1-CZ3 4.22Å; V17-W89 HydrophobicContact CG2-CH2 3.82Å; V17-W89 HydrophobicContact CG2-CZ3 3.92Å; L25-W89 HydrophobicContact CD1-CH2 3.86Å; L25-W89 HydrophobicContact CD1-CZ2 4.33Å; Y75-W89 HydrophobicContact CD1-CE3 4.46Å; Y75-W89 HydrophobicContact CG-CE3 4.12Å; Y75-W89 HydrophobicContact CG-CZ3 4.24Å; A77-W89 HydrophobicContact CB-CD2 3.66Å; A77-W89 HydrophobicContact CB-CE3 3.79Å; A77-W89 HydrophobicContact CB-CG 4.1Å; A77-W89 HydrophobicContact CB-CH2 4.4Å; A77-W89 HydrophobicContact CB-CZ2 4.31Å; A77-W89 HydrophobicContact CB-CZ3 4.15Å; L86-W89 HydrophobicContact CB-CZ2 3.6Å; L86-W89 HydrophobicContact CD1-CH2 3.53Å; L86-W89 HydrophobicContact CD1-CZ2 3.27Å; L86-W89 HydrophobicContact CD1-CZ3 4.49Å; L86-W89 HydrophobicContact CG-CZ2 4.06Å; L86-W89 PolarHBondContact O-NE1 3.39Å
90G94.9Very high83.1Confident29 Ų2993.4 Ų93.430%0.29953%0.533SS..  trans-70162.6161.800000110.7C76 G92C76-G90 PolarHBondContact O-N 2.58Å; G90-G92 PolarHBondContact O-N 3.49Å; G90-G92 VanDerWaalsContact O-N 3.08Å
91Q95.8Very high83.9Confident188 Ų18897.5 Ų97.588%0.87955%0.553SS**  trans-62.9-15.7179-65-61-38.800113.7
92G96.6Very high85.3Confident24 Ų2492.6 Ų92.625%0.24754%0.543CS..  trans84.8161-174.800000112.2Y74 G90Y74-G92 CarbonylContact O-C 3.6Å; Y74-G92 WeakPolarHBondContact O-CA 3.39Å; G90-G92 PolarHBondContact O-N 3.49Å; G90-G92 VanDerWaalsContact O-N 3.08Å
93T97.8Very high86.4Confident96 Ų9685.4 Ų85.459%0.58953%0.525SS*.EExtended strand (participates in β ladder)trans-137.4125.1176.1-61.40000108.7V73 Y74 V95V73-T93 WeakPolarHBondContact CA-O 3.47Å; Y74-T93 PolarHBondContact N-O 3.21Å; Y74-T93 PolarHBondContact O-N 3.28Å; T93-V95 PolarHBondContact O-N 2.64Å
94L97.5Very high88.3Confident118 Ų11889.1 Ų89.162%0.61854%0.542SS*.EExtended strand (participates in β ladder)trans-70.1124.7172.717963.4000108.9V73V73-L94 HydrophobicContact CG2-CD1 4.24Å
95V96.6Very high90Very high44 Ų4487.5 Ų87.527%0.26753%0.525SS..EExtended strand (participates in β ladder)trans-113.7124167.1179.20000106.8L66 S71 A72 Y74 T93 V97L66-V95 HydrophobicContact CD1-CG1 4.43Å; S71-V95 VanDerWaalsContact CA-O 3.3Å; S71-V95 WeakPolarHBondContact CA-O 3.42Å; A72-V95 PolarHBondContact N-O 2.91Å; A72-V95 VanDerWaalsContact N-O 3.07Å; A72-V95 PolarHBondContact O-N 2.76Å; Y74-V95 HydrophobicContact CD2-CB 3.79Å; Y74-V95 HydrophobicContact CD2-CG2 3.65Å; Y74-V95 HydrophobicContact CE2-CB 3.73Å; Y74-V95 HydrophobicContact CE2-CG1 4.47Å; Y74-V95 HydrophobicContact CE2-CG2 4.04Å; Y74-V95 HydrophobicContact CG-CG2 4.49Å; T93-V95 PolarHBondContact O-N 2.64Å; V95-V97 HydrophobicContact CG1-CG2 4.34Å
96T96.6Very high91.6Very high104 Ų10488.5 Ų88.564%0.63853%0.526SS*.  trans-114.6130.2177.6-57.10000108.8
97V95.3Very high92.7Very high32 Ų3291.3 Ų91.319%0.19455%0.546CS..  trans-122.2115.1176.9-174.20000106.4L66 T67 S68 S71 V95L66-V97 HydrophobicContact CB-CG1 4.37Å; L66-V97 HydrophobicContact CB-CG2 3.97Å; L66-V97 HydrophobicContact CD1-CG2 4.05Å; T67-V97 WeakPolarHBondContact O-CB 3.08Å; S68-V97 WeakPolarHBondContact CA-O 3.4Å; S71-V97 PolarHBondContact OG-N 2.83Å; S71-V97 PolarHBondContact OG-O 2.99Å; V95-V97 HydrophobicContact CG1-CG2 4.34Å
98S92.3Very high93.9Very high104 Ų10495 Ų9573%0.72756%0.559SS**  trans-90.7159.517357.20000110.5
99A81.3Confident94.4Very high159 Ų15990.8 Ų90.8100%1.31456%0.559SS**  trans-70.30171.300000111.9

Retrieved 99 of 99 residues in 35.5 ms (Link to these results)

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