A0A087YAP5_POEFO Loading...

diphosphoinositol-polyphosphate diphosphatase

AlphaFold DB (A0A3P9PBI8), UniProt , Accession A0A087YAP5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 178 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
1M47.2Very low69.1Low206 Ų206104.9 Ų104.9100%1.01554%0.537SS*.  0127.40-15981.8137.600107.4
2M55.5Low71.4Confident120 Ų120106.8 Ų106.859%0.59153%0.534SS*.  trans-75.7138.3173.3-69.9-166.4-171.300109.4L4M2-L4 PolarHBondContact O-N 3.43Å
3K61.1Low73.4Confident40 Ų40101.2 Ų101.217%0.17451%0.506CS..  trans-62.7105.1174-170176.1-179.4176.60109.8K5 E70 D109 I113K3-K5 HydrophobicContact CD-CG 4.4Å; K3-K5 HydrophobicContact CG-CG 4.2Å; K3-E70 IonicContact NZ-OE1 2.82Å; K3-E70 PolarHBondContact NZ-OE1 3.02Å; K3-D109 WeakPolarHBondContact CD-OD2 3.29Å; K3-D109 WeakPolarHBondContact CE-OD1 3.48Å; K3-D109 WeakPolarHBondContact CE-OD2 3.05Å; K3-D109 IonicContact NZ-OD1 3.77Å; K3-D109 PolarHBondContact NZ-OD1 3.47Å; K3-D109 IonicContact NZ-OD2 3.46Å; K3-D109 PolarHBondContact NZ-OD2 2.77Å; K3-I113 HydrophobicContact CB-CD1 4.04Å; K3-I113 HydrophobicContact CD-CD1 4.15Å; K3-I113 HydrophobicContact CG-CD1 4.26Å
4L56.6Low75Confident161 Ų161100.9 Ų100.984%0.84354%0.542SS*.  trans-99.2103.3164.3-90.999.4000107.9M2 S6M2-L4 PolarHBondContact O-N 3.43Å; L4-S6 PolarHBondContact O-N 3.41Å
5K62.9Low76.5Confident53 Ų5399.6 Ų99.623%0.2354%0.535CS..  trans-81.1105166-64.3-173.4-176.4-177.70107.6K3 N7 Q8 E66 E69K3-K5 HydrophobicContact CD-CG 4.4Å; K3-K5 HydrophobicContact CG-CG 4.2Å; K5-N7 PolarHBondContact O-N 3.22Å; K5-Q8 HydrophobicContact CB-CB 4.06Å; K5-Q8 HydrophobicContact CD-CB 4.25Å; K5-Q8 VanDerWaalsContact CD-CD 3.41Å; K5-Q8 HydrophobicContact CD-CG 4.33Å; K5-E66 IonicContact NZ-OE1 2.75Å; K5-E66 PolarHBondContact NZ-OE1 3.11Å; K5-E66 IonicContact NZ-OE2 2.71Å; K5-E66 PolarHBondContact NZ-OE2 3.03Å; K5-E69 WeakPolarHBondContact CE-OE2 3.42Å; K5-E69 IonicContact NZ-OE2 3.85Å; K5-E69 PolarHBondContact NZ-OE2 3.42Å
6S53.6Low77.8Confident110 Ų11096 Ų9677%0.76953%0.528SS*.THydrogen-bonded Turntrans-67.8-19.8-174.959.60000113.8L4L4-S6 PolarHBondContact O-N 3.41Å
7N65.7Low79Confident143 Ų14391.5 Ų91.577%0.76550%0.502SS*.THydrogen-bonded Turntrans-114.23.7-169.7-61.4-0.8000114.1K5K5-N7 PolarHBondContact O-N 3.22Å
8Q77.4Confident80.1Confident45 Ų4588.5 Ų88.521%0.2148%0.483CS..  trans-97.6107.5-177.2-112.3172.238.700112.7K5 R10 E54 E66 E69K5-Q8 HydrophobicContact CB-CB 4.06Å; K5-Q8 HydrophobicContact CD-CB 4.25Å; K5-Q8 VanDerWaalsContact CD-CD 3.41Å; K5-Q8 HydrophobicContact CD-CG 4.33Å; Q8-R10 PolarHBondContact O-N 3.48Å; Q8-E54 HydrophobicContact CG-CG 3.78Å; Q8-E54 WeakPolarHBondContact CG-OE1 3.41Å; Q8-E54 PolarHBondContact NE2-OE1 3.23Å; Q8-E66 PolarHBondContact OE1-OE1 2.81Å; Q8-E69 PolarHBondContact NE2-OE1 3.47Å
9T89.8Confident81Confident91 Ų9186.8 Ų86.856%0.55847%0.47SS*.  trans-73.5123.3173.3-60.60000109.7P55T9-P55 HydrophobicContact CG2-CG 3.81Å
10R93.1Very high81.9Confident163 Ų16385.1 Ų85.162%0.61546%0.457SS*.  trans-75.5132.3178-61.5179.2-177.7170.76.2110Q8 Y12Q8-R10 PolarHBondContact O-N 3.48Å; R10-Y12 HydrophobicContact CB-CE2 3.87Å
11T96.8Very high82.7Confident22 Ų2281 Ų8114%0.13544%0.435CS..  trans-106.6155.1173.159.30000111.9K18 K19 M53 E54 P55T11-K18 WeakPolarHBondContact O-CA 3.15Å; T11-K19 PolarHBondContact O-N 3.35Å; T11-K19 WeakPolarHBondContact OG1-CB 3.31Å; T11-M53 WeakPolarHBondContact CG2-O 3.42Å; T11-M53 PolarHBondContact OG1-O 3.4Å; T11-E54 VanDerWaalsContact CG2-C 3.49Å; T11-P55 HydrophobicContact CG2-CB 4.34Å; T11-P55 HydrophobicContact CG2-CG 3.93Å
12Y97.7Very high85.2Confident128 Ų12871.4 Ų71.450%0.50239%0.388SS..BIsolated β-bridgetrans-138.5148.1-176.6-56.7-95000110.4R10 Y17 K18R10-Y12 HydrophobicContact CB-CE2 3.87Å; Y12-Y17 CarbonylContact C-O 3.57Å; Y12-Y17 WeakPolarHBondContact CA-O 3.37Å; Y12-K18 HydrophobicContact CD1-CB 3.92Å; Y12-K18 HydrophobicContact CD1-CG 4.45Å; Y12-K18 HydrophobicContact CE1-CB 3.82Å; Y12-K18 HydrophobicContact CE1-CG 4.18Å
13D96.5Very high87.2Confident33 Ų3365.7 Ų65.718%0.17636%0.36CS..  trans-74.9165.6168.4-65.4-42.8000110.8D15 G16 Y17 K19 R92D13-D15 VanDerWaalsContact CB-OD1 3.28Å; D13-D15 WeakPolarHBondContact CB-OD1 3.34Å; D13-D15 PolarHBondContact O-N 3.11Å; D13-D15 VanDerWaalsContact O-N 3.1Å; D13-G16 PolarHBondContact O-N 3.42Å; D13-Y17 PolarHBondContact N-O 3.5Å; D13-K19 VanDerWaalsContact OD1-CD 3.3Å; D13-K19 WeakPolarHBondContact OD1-CD 3.36Å; D13-K19 VanDerWaalsContact OD1-CG 3.26Å; D13-K19 WeakPolarHBondContact OD1-CG 3.45Å; D13-R92 VanDerWaalsContact CG-NH1 3.29Å; D13-R92 WeakPolarHBondContact OD2-CD 3.43Å; D13-R92 IonicContact OD2-CZ 3.64Å; D13-R92 IonicContact OD2-NE 3.38Å; D13-R92 IonicContact OD2-NH1 3.66Å; D13-R92 PolarHBondContact OD2-NH1 2.71Å
14G96.9Very high89Confident97 Ų9763.9 Ų63.9100%135%0.352SS*.THydrogen-bonded Turntrans-61.2-20.2-178.100000114.7
15D97.5Very high91.1Very high82 Ų8256.2 Ų56.244%0.43931%0.312SS..THydrogen-bonded Turntrans-95.310.517664.7-10000113.6D13 Y17 R92D13-D15 VanDerWaalsContact CB-OD1 3.28Å; D13-D15 WeakPolarHBondContact CB-OD1 3.34Å; D13-D15 PolarHBondContact O-N 3.11Å; D13-D15 VanDerWaalsContact O-N 3.1Å; D15-Y17 HydrophobicContact CB-CD2 4.48Å; D15-Y17 WeakPolarHBondContact OD1-CD2 3.42Å; D15-Y17 WeakPolarHBondContact OD2-CD2 3.34Å; D15-R92 IonicContact OD1-CZ 3.52Å; D15-R92 IonicContact OD1-NH1 3.86Å; D15-R92 PolarHBondContact OD1-NH1 3.26Å; D15-R92 IonicContact OD1-NH2 2.71Å; D15-R92 IonicContact OD2-CZ 3.35Å; D15-R92 IonicContact OD2-NH1 2.72Å; D15-R92 PolarHBondContact OD2-NH1 3.19Å; D15-R92 IonicContact OD2-NH2 2.77Å; D15-R92 PolarHBondContact OD2-NH2 3.26Å
16G97Very high92.8Very high42 Ų4253.7 Ų53.743%0.43330%0.301SS..SBendtrans83.67.4172.900000115.2D13D13-G16 PolarHBondContact O-N 3.42Å
17Y98.1Very high94.9Very high19 Ų1953.6 Ų53.68%0.07528%0.284CS..PPolyproline II helixtrans-75.4130.9172.8-78.6-106.6000110.6Y12 D13 D15 K19 E85 K90 R92Y12-Y17 CarbonylContact C-O 3.57Å; Y12-Y17 WeakPolarHBondContact CA-O 3.37Å; D13-Y17 PolarHBondContact N-O 3.5Å; D15-Y17 HydrophobicContact CB-CD2 4.48Å; D15-Y17 WeakPolarHBondContact OD1-CD2 3.42Å; D15-Y17 WeakPolarHBondContact OD2-CD2 3.34Å; Y17-K19 PolarHBondContact O-N 3.17Å; Y17-E85 HydrophobicContact CE1-CB 4.37Å; Y17-K90 CarbonylContact C-O 3.54Å; Y17-K90 WeakPolarHBondContact CA-O 3.35Å; Y17-K90 VanDerWaalsContact CD1-C 3.5Å; Y17-K90 HydrophobicContact CD1-CB 4.5Å; Y17-K90 HydrophobicContact CD1-CD 4.41Å; Y17-K90 HydrophobicContact CD2-CD 4.18Å; Y17-K90 HydrophobicContact CE1-CD 4.04Å; Y17-K90 HydrophobicContact CE2-CD 3.83Å; Y17-K90 HydrophobicContact CG-CD 4.47Å; Y17-R92 HydrophobicContact CD1-CB 4.43Å
18K98.2Very high96.5Very high38 Ų3849 Ų4917%0.16526%0.263CS..EExtended strand (participates in β ladder)trans-66.5128.2172.5-175-175.2174.2-175.70109.5T11 Y12 R20 K90 H91 R92T11-K18 WeakPolarHBondContact O-CA 3.15Å; Y12-K18 HydrophobicContact CD1-CB 3.92Å; Y12-K18 HydrophobicContact CD1-CG 4.45Å; Y12-K18 HydrophobicContact CE1-CB 3.82Å; Y12-K18 HydrophobicContact CE1-CG 4.18Å; K18-R20 HydrophobicContact CG-CG 4.46Å; K18-K90 PolarHBondContact N-O 2.84Å; K18-H91 WeakPolarHBondContact O-CA 3.04Å; K18-R92 PolarHBondContact O-N 3.42Å
19K98.4Very high97.4Very high56 Ų5654.9 Ų54.924%0.24329%0.29CS..EExtended strand (participates in β ladder)trans-76.6130.3177.5-59.4178.967.6172.50110.8T11 D13 Y17 M53T11-K19 PolarHBondContact O-N 3.35Å; T11-K19 WeakPolarHBondContact OG1-CB 3.31Å; D13-K19 VanDerWaalsContact OD1-CD 3.3Å; D13-K19 WeakPolarHBondContact OD1-CD 3.36Å; D13-K19 VanDerWaalsContact OD1-CG 3.26Å; D13-K19 WeakPolarHBondContact OD1-CG 3.45Å; Y17-K19 PolarHBondContact O-N 3.17Å; K19-M53 HydrophobicContact CB-CB 4.1Å; K19-M53 HydrophobicContact CB-CG 4.28Å; K19-M53 HydrophobicContact CB-SD 3.81Å; K19-M53 PolarHBondContact O-N 2.88Å; K19-M53 VanDerWaalsContact O-N 3.09Å
20R98.7Very high97.7Very high53 Ų5353.7 Ų53.720%0.229%0.286CS..EExtended strand (participates in β ladder)trans-139.4156.7-177-66-164.569.7174.2-4.6111.3K18 G50 G51 H91 R92 T93 Y94K18-R20 HydrophobicContact CG-CG 4.46Å; R20-G50 PolarHBondContact NH2-O 3.48Å; R20-G51 WeakPolarHBondContact CA-O 3.43Å; R20-G51 WeakPolarHBondContact CB-O 3.21Å; R20-G51 VanDerWaalsContact CG-O 3.24Å; R20-G51 WeakPolarHBondContact CG-O 3.31Å; R20-G51 PolarHBondContact NE-O 3.12Å; R20-G51 VanDerWaalsContact NE-O 3.12Å; R20-H91 PolarHBondContact NH1-ND1 2.86Å; R20-R92 PolarHBondContact N-O 3.38Å; R20-T93 HydrophobicContact CB-CG2 3.93Å; R20-T93 CarbonylContact O-C 3.57Å; R20-T93 VanDerWaalsContact O-CA 3.31Å; R20-T93 WeakPolarHBondContact O-CA 3.28Å; R20-Y94 PolarHBondContact O-N 2.95Å
21A98.7Very high97.9Very high0 Ų047.5 Ų47.50%026%0.264CS..EExtended strand (participates in β ladder)trans-138.4149172.300000110.5G50 G51 M53 P59 A62 A63 Y94A21-G50 CarbonylContact O-C 3.59Å; A21-G50 WeakPolarHBondContact O-CA 3.39Å; A21-G51 PolarHBondContact N-O 3.38Å; A21-G51 PolarHBondContact O-N 2.89Å; A21-M53 HydrophobicContact CB-CG 4.2Å; A21-P59 VanDerWaalsContact CB-O 3.25Å; A21-P59 WeakPolarHBondContact CB-O 3.33Å; A21-A62 HydrophobicContact CB-CB 3.68Å; A21-A63 HydrophobicContact CB-CB 3.9Å; A21-Y94 CarbonylContact C-O 3.6Å; A21-Y94 VanDerWaalsContact CA-O 3.29Å; A21-Y94 WeakPolarHBondContact CA-O 3.31Å
22A98.8Very high97.9Very high4 Ų452.7 Ų52.73%0.03329%0.287CS..EExtended strand (participates in β ladder)trans-151.5162.4-17700000110.6V48 P49 T93 Y94 V95 Y96A22-V48 HydrophobicContact CB-CG1 4.28Å; A22-P49 WeakPolarHBondContact CA-O 3.49Å; A22-P49 WeakPolarHBondContact CB-O 3.35Å; A22-T93 HydrophobicContact CB-CG2 3.92Å; A22-Y94 PolarHBondContact N-O 2.94Å; A22-V95 HydrophobicContact CB-CG2 4.46Å; A22-V95 WeakPolarHBondContact O-CA 3.36Å; A22-Y96 PolarHBondContact O-N 2.91Å
23C98.8Very high97.9Very high0 Ų049.5 Ų49.50%028%0.276CS..EExtended strand (participates in β ladder)trans-126.1145.7169.2-61.60000112.2C25 V48 P49 A63 V67 Y96 L98C23-C25 PolarHBondContact O-N 3.06Å; C23-V48 VanDerWaalsContact O-CG1 3.28Å; C23-V48 WeakPolarHBondContact O-CG1 3.34Å; C23-P49 PolarHBondContact N-O 3.43Å; C23-A63 VanDerWaalsContact SG-CB 3.56Å; C23-V67 HydrophobicContact CB-CG2 3.57Å; C23-Y96 CarbonylContact C-O 3.47Å; C23-Y96 WeakPolarHBondContact CA-O 3.49Å; C23-L98 HydrophobicContact CB-CB 3.85Å
24L98.8Very high98Very high1 Ų148 Ų481%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-82.6101154.8-55.5-174.9000107.2F26 V34 V48 V81 V95 Y96 L98 Y139 F140 L143L24-F26 HydrophobicContact CB-CE1 4.45Å; L24-F26 HydrophobicContact CB-CE2 3.82Å; L24-F26 HydrophobicContact CB-CZ 3.68Å; L24-F26 HydrophobicContact CD1-CZ 4.12Å; L24-F26 PolarHBondContact O-N 3.09Å; L24-V34 HydrophobicContact CB-CG2 4.35Å; L24-V48 HydrophobicContact CD2-CG1 4.04Å; L24-V48 HydrophobicContact CD2-CG2 4.23Å; L24-V81 HydrophobicContact CD1-CG2 4.3Å; L24-V95 HydrophobicContact CD2-CG1 4.33Å; L24-V95 HydrophobicContact CG-CG1 3.97Å; L24-Y96 PolarHBondContact N-O 3.09Å; L24-L98 PolarHBondContact O-N 3.46Å; L24-Y139 HydrophobicContact CD2-CD2 4.2Å; L24-F140 HydrophobicContact CD1-CD1 4.25Å; L24-F140 HydrophobicContact CD1-CE1 4.22Å; L24-F140 HydrophobicContact CD2-CE1 3.92Å; L24-F140 HydrophobicContact CD2-CE2 4.09Å; L24-F140 HydrophobicContact CD2-CZ 3.66Å; L24-L143 HydrophobicContact CD1-CB 4.38Å; L24-L143 HydrophobicContact CD1-CD1 4.23Å; L24-L143 HydrophobicContact CD1-CD2 4.27Å
25C98.8Very high98.1Very high0 Ų043.5 Ų43.50%022%0.221CC..EExtended strand (participates in β ladder)trans-8799.2-175.9-60.10000109.7C23 V34 L35 V67 V73 L98 V100 W119C23-C25 PolarHBondContact O-N 3.06Å; C25-V34 CarbonylContact O-C 3.26Å; C25-V34 WeakPolarHBondContact O-CA 3.47Å; C25-L35 HydrophobicContact CB-CB 4.02Å; C25-L35 PolarHBondContact O-N 3.38Å; C25-V67 WeakPolarHBondContact SG-CG1 3.48Å; C25-V73 HydrophobicContact CB-CG2 4.49Å; C25-L98 CarbonylContact C-O 3.59Å; C25-L98 VanDerWaalsContact CA-O 3.32Å; C25-L98 WeakPolarHBondContact CA-O 3.14Å; C25-L98 HydrophobicContact CB-CD2 4.43Å; C25-V100 HydrophobicContact CB-CG2 3.88Å; C25-W119 WeakPolarHBondContact O-CZ3 3.34Å
26F98.8Very high98.2Very high0 Ų039.6 Ų39.60%020%0.2CC..EExtended strand (participates in β ladder)trans-87.6147.8179.5-62.4-63.5000112.4L24 S28 E31 E33 V34 V97 L98 I99 V100 I122 L143L24-F26 HydrophobicContact CB-CE1 4.45Å; L24-F26 HydrophobicContact CB-CE2 3.82Å; L24-F26 HydrophobicContact CB-CZ 3.68Å; L24-F26 HydrophobicContact CD1-CZ 4.12Å; L24-F26 PolarHBondContact O-N 3.09Å; F26-S28 VanDerWaalsContact C-N 3.26Å; F26-S28 PolarHBondContact O-N 2.91Å; F26-E31 HydrophobicContact CD1-CB 4.08Å; F26-E31 HydrophobicContact CD2-CB 3.85Å; F26-E31 HydrophobicContact CD2-CG 3.57Å; F26-E31 HydrophobicContact CE1-CB 4.2Å; F26-E31 HydrophobicContact CE2-CB 3.97Å; F26-E31 HydrophobicContact CE2-CG 3.89Å; F26-E31 HydrophobicContact CG-CB 3.94Å; F26-E31 HydrophobicContact CG-CG 4.02Å; F26-E31 HydrophobicContact CZ-CB 4.18Å; F26-E33 CarbonylContact C-O 3.6Å; F26-E33 VanDerWaalsContact CA-O 3.27Å; F26-E33 WeakPolarHBondContact CA-O 3.28Å; F26-E33 WeakPolarHBondContact CD1-O 3.49Å; F26-V34 HydrophobicContact CD1-CB 3.98Å; F26-V34 HydrophobicContact CD1-CG2 4.27Å; F26-V34 HydrophobicContact CE1-CB 3.85Å; F26-V34 HydrophobicContact CE1-CG2 4.04Å; F26-V97 HydrophobicContact CD2-CG1 3.76Å; F26-V97 HydrophobicContact CE2-CG1 3.98Å; F26-V97 HydrophobicContact CE2-CG2 4.06Å; F26-L98 PolarHBondContact N-O 3.12Å; F26-I99 HydrophobicContact CB-CD1 4.06Å; F26-I99 HydrophobicContact CD2-CD1 4.31Å; F26-V100 WeakPolarHBondContact O-CB 3.49Å; F26-V100 WeakPolarHBondContact O-CG2 3.49Å; F26-V100 PolarHBondContact O-N 3.1Å; F26-I122 HydrophobicContact CD1-CD1 4.33Å; F26-I122 HydrophobicContact CE1-CD1 3.64Å; F26-L143 HydrophobicContact CE1-CD2 4.26Å; F26-L143 HydrophobicContact CE2-CD1 4.25Å; F26-L143 HydrophobicContact CE2-CD2 4.08Å; F26-L143 HydrophobicContact CZ-CD1 4.34Å; F26-L143 HydrophobicContact CZ-CD2 3.42Å; F26-L143 VanDerWaalsContact CZ-CD2 3.42Å
27R98.6Very high98.3Very high108 Ų10837.6 Ų37.641%0.40818%0.18SC..SBendtrans-67.2-30.3177.1-172.5178.3-79.6173.5-6.6112.1E33 W119R27-E33 HydrophobicContact CB-CB 4.15Å; R27-E33 VanDerWaalsContact CD-OE2 3.29Å; R27-E33 WeakPolarHBondContact CD-OE2 3.45Å; R27-E33 IonicContact CZ-OE1 2.77Å; R27-E33 IonicContact CZ-OE2 2.75Å; R27-E33 VanDerWaalsContact CZ-OE2 3.31Å; R27-E33 PolarHBondContact N-O 3.45Å; R27-E33 IonicContact NE-OE2 2.6Å; R27-E33 IonicContact NH1-OE1 2.75Å; R27-E33 PolarHBondContact NH1-OE1 2.96Å; R27-E33 IonicContact NH1-OE2 2.88Å; R27-E33 PolarHBondContact NH1-OE2 3.5Å; R27-E33 IonicContact NH2-OE1 3.05Å; R27-W119 HydrophobicContact CB-CD2 4.46Å; R27-W119 HydrophobicContact CB-CE3 3.95Å; R27-W119 HydrophobicContact CB-CH2 3.8Å; R27-W119 HydrophobicContact CB-CZ2 4.31Å; R27-W119 HydrophobicContact CB-CZ3 3.61Å; R27-W119 HydrophobicContact CG-CH2 4.34Å; R27-W119 HydrophobicContact CG-CZ2 4.39Å; R27-W119 HydrophobicContact CG-CZ3 4.5Å; R27-W119 VanDerWaalsContact NH2-CB 3.29Å
28S98.3Very high98.3Very high46 Ų4636.8 Ų36.832%0.32218%0.177SC..SBendtrans-155170.1-175.747.80000110.9F26 S30 E31F26-S28 VanDerWaalsContact C-N 3.26Å; F26-S28 PolarHBondContact O-N 2.91Å; S28-S30 PolarHBondContact O-N 2.73Å; S28-S30 VanDerWaalsContact O-N 3.11Å; S28-S30 PolarHBondContact OG-OG 3.1Å; S28-E31 PolarHBondContact O-N 3.47Å; S28-E31 VanDerWaalsContact O-N 3.1Å
29E96.8Very high98.2Very high169 Ų16935.5 Ų35.579%0.7917%0.173SC*.THydrogen-bonded Turntrans-63.1-11.6175.6-61.1-173.1170.400114E31 I99E29-E31 PolarHBondContact O-N 3.26Å; E29-I99 HydrophobicContact CG-CG1 4.4Å; E29-I99 HydrophobicContact CG-CG2 4.19Å
30S96.3Very high98Very high66 Ų6634.5 Ų34.546%0.46217%0.173SC..THydrogen-bonded Turntrans-71.1-16172.258.50000113.6S28 E32S28-S30 PolarHBondContact O-N 2.73Å; S28-S30 VanDerWaalsContact O-N 3.11Å; S28-S30 PolarHBondContact OG-OG 3.1Å; S30-E32 PolarHBondContact O-N 3.28Å
31E97.3Very high97.6Very high33 Ų3338.9 Ų38.915%0.15419%0.189CC..  trans56.329.2178.3-53.7-171.6172.800114.5F26 S28 E29 R79 I122F26-E31 HydrophobicContact CD1-CB 4.08Å; F26-E31 HydrophobicContact CD2-CB 3.85Å; F26-E31 HydrophobicContact CD2-CG 3.57Å; F26-E31 HydrophobicContact CE1-CB 4.2Å; F26-E31 HydrophobicContact CE2-CB 3.97Å; F26-E31 HydrophobicContact CE2-CG 3.89Å; F26-E31 HydrophobicContact CG-CB 3.94Å; F26-E31 HydrophobicContact CG-CG 4.02Å; F26-E31 HydrophobicContact CZ-CB 4.18Å; S28-E31 PolarHBondContact O-N 3.47Å; S28-E31 VanDerWaalsContact O-N 3.1Å; E29-E31 PolarHBondContact O-N 3.26Å; E31-R79 IonicContact OE1-CZ 3.48Å; E31-R79 IonicContact OE1-NH1 2.66Å; E31-R79 PolarHBondContact OE1-NH1 2.9Å; E31-R79 IonicContact OE1-NH2 3.84Å; E31-R79 IonicContact OE2-CZ 2.84Å; E31-R79 IonicContact OE2-NH1 3.52Å; E31-R79 IonicContact OE2-NH2 3.31Å; E31-R79 PolarHBondContact OE2-NH2 3.41Å; E31-I122 WeakPolarHBondContact O-CD1 3Å
32E96.9Very high97.4Very high132 Ų13243.3 Ų43.362%0.61721%0.21SC*.  trans-91.8-26.8-176.4-66.6178.7159.600114.3S30 I122S30-E32 PolarHBondContact O-N 3.28Å; E32-I122 PolarHBondContact O-N 2.81Å
33E98.5Very high97.2Very high60 Ų6047.3 Ų47.328%0.2824%0.236SC..EExtended strand (participates in β ladder)trans-126.4125.8-179.7-69.5179.6108.500110.5F26 R27 W119 F120F26-E33 CarbonylContact C-O 3.6Å; F26-E33 VanDerWaalsContact CA-O 3.27Å; F26-E33 WeakPolarHBondContact CA-O 3.28Å; F26-E33 WeakPolarHBondContact CD1-O 3.49Å; R27-E33 HydrophobicContact CB-CB 4.15Å; R27-E33 VanDerWaalsContact CD-OE2 3.29Å; R27-E33 WeakPolarHBondContact CD-OE2 3.45Å; R27-E33 IonicContact CZ-OE1 2.77Å; R27-E33 IonicContact CZ-OE2 2.75Å; R27-E33 VanDerWaalsContact CZ-OE2 3.31Å; R27-E33 PolarHBondContact N-O 3.45Å; R27-E33 IonicContact NE-OE2 2.6Å; R27-E33 IonicContact NH1-OE1 2.75Å; R27-E33 PolarHBondContact NH1-OE1 2.96Å; R27-E33 IonicContact NH1-OE2 2.88Å; R27-E33 PolarHBondContact NH1-OE2 3.5Å; R27-E33 IonicContact NH2-OE1 3.05Å; E33-W119 HydrophobicContact CB-CE3 4.42Å; E33-F120 CarbonylContact C-O 3.59Å; E33-F120 VanDerWaalsContact CA-O 3.24Å; E33-F120 WeakPolarHBondContact CA-O 3.16Å
34V98.8Very high97Very high1 Ų153 Ų531%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-113.9143.3-178.570.10000111.2L24 C25 F26 L36 W119 F120 I122 A125 F140L24-V34 HydrophobicContact CB-CG2 4.35Å; C25-V34 CarbonylContact O-C 3.26Å; C25-V34 WeakPolarHBondContact O-CA 3.47Å; F26-V34 HydrophobicContact CD1-CB 3.98Å; F26-V34 HydrophobicContact CD1-CG2 4.27Å; F26-V34 HydrophobicContact CE1-CB 3.85Å; F26-V34 HydrophobicContact CE1-CG2 4.04Å; V34-L36 HydrophobicContact CG1-CD2 4.42Å; V34-W119 WeakPolarHBondContact O-CA 3.36Å; V34-F120 HydrophobicContact CG1-CB 4.39Å; V34-F120 PolarHBondContact N-O 3.24Å; V34-F120 PolarHBondContact O-N 2.95Å; V34-I122 HydrophobicContact CB-CD1 4.17Å; V34-I122 HydrophobicContact CG1-CD1 4.23Å; V34-A125 HydrophobicContact CG1-CB 3.61Å; V34-F140 HydrophobicContact CB-CE1 4.02Å; V34-F140 HydrophobicContact CB-CZ 4.38Å; V34-F140 HydrophobicContact CG1-CE1 3.71Å; V34-F140 HydrophobicContact CG1-CZ 3.81Å; V34-F140 HydrophobicContact CG2-CE1 3.94Å; V34-F140 HydrophobicContact CG2-CZ 4.06Å
35L98.9Very high96.9Very high3 Ų355.1 Ų55.12%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-88.1121.6175.1-167.274.1000110.5C25 A71 V73 R117 W119C25-L35 HydrophobicContact CB-CB 4.02Å; C25-L35 PolarHBondContact O-N 3.38Å; L35-A71 HydrophobicContact CD2-CB 3.95Å; L35-V73 HydrophobicContact CD2-CG1 3.58Å; L35-V73 HydrophobicContact CD2-CG2 4.16Å; L35-R117 HydrophobicContact CD1-CB 4.11Å; L35-R117 HydrophobicContact CD1-CG 4.2Å; L35-R117 HydrophobicContact CD2-CB 4.41Å; L35-R117 HydrophobicContact CG-CB 4.29Å; L35-W119 HydrophobicContact CB-CD2 4.24Å; L35-W119 HydrophobicContact CB-CE3 3.8Å; L35-W119 HydrophobicContact CB-CH2 3.96Å; L35-W119 HydrophobicContact CB-CZ2 4.38Å; L35-W119 HydrophobicContact CB-CZ3 3.64Å; L35-W119 HydrophobicContact CD1-CD2 3.7Å; L35-W119 HydrophobicContact CD1-CE3 4.16Å; L35-W119 HydrophobicContact CD1-CG 3.98Å; L35-W119 HydrophobicContact CD1-CZ2 4.13Å
36L98.8Very high96.9Very high0 Ų057.2 Ų57.20%028%0.283CS..EExtended strand (participates in β ladder)trans-106.2160.2169.1-59.2-174.7000110.5V34 W46 V48 R117 E118 F120 A125 V128 L129V34-L36 HydrophobicContact CG1-CD2 4.42Å; L36-W46 HydrophobicContact CB-CB 4.24Å; L36-W46 HydrophobicContact CB-CE3 4.15Å; L36-W46 HydrophobicContact CD1-CB 3.95Å; L36-V48 HydrophobicContact CD2-CG2 3.98Å; L36-R117 CarbonylContact O-C 3.46Å; L36-R117 VanDerWaalsContact O-CA 3.22Å; L36-R117 WeakPolarHBondContact O-CA 3.49Å; L36-E118 PolarHBondContact N-O 3.04Å; L36-E118 PolarHBondContact O-N 2.79Å; L36-F120 HydrophobicContact CB-CD2 3.82Å; L36-F120 HydrophobicContact CB-CE2 3.86Å; L36-F120 HydrophobicContact CD1-CD2 3.78Å; L36-F120 HydrophobicContact CD1-CE2 4.1Å; L36-F120 HydrophobicContact CD1-CG 4.16Å; L36-F120 HydrophobicContact CG-CD2 3.75Å; L36-F120 HydrophobicContact CG-CE2 4.23Å; L36-F120 HydrophobicContact CG-CG 4.45Å; L36-A125 HydrophobicContact CD1-CB 4Å; L36-V128 HydrophobicContact CD1-CG2 3.78Å; L36-L129 HydrophobicContact CD1-CD1 4.38Å; L36-L129 HydrophobicContact CD1-CG 4.27Å; L36-L129 HydrophobicContact CD2-CD1 4.36Å
37V98.8Very high96.9Very high0 Ų058 Ų580%029%0.287CS..EExtended strand (participates in β ladder)trans-123.1149.3175.5-61.60000111.3W46 I47 P49 A71 R115 K116 R117V37-W46 VanDerWaalsContact C-CE3 3.44Å; V37-W46 CarbonylContact O-C 3.53Å; V37-I47 HydrophobicContact CG2-CD1 4.38Å; V37-I47 HydrophobicContact CG2-CG1 3.73Å; V37-I47 PolarHBondContact N-O 2.84Å; V37-I47 WeakPolarHBondContact O-CG1 3.29Å; V37-I47 PolarHBondContact O-N 3.02Å; V37-P49 HydrophobicContact CG1-CB 4.18Å; V37-P49 HydrophobicContact CG2-CB 3.98Å; V37-A71 HydrophobicContact CG1-CB 3.59Å; V37-R115 HydrophobicContact CB-CG 4.22Å; V37-K116 CarbonylContact C-O 3.48Å; V37-K116 VanDerWaalsContact CA-O 3.28Å; V37-K116 WeakPolarHBondContact CA-O 3.3Å; V37-R117 HydrophobicContact CG1-CB 4.01Å
38S98.4Very high96.9Very high2 Ų252.9 Ų52.91%0.01427%0.268CS..EExtended strand (participates in β ladder)trans-64.2148.4174.559.60000111.2K45 R115 K116S38-K45 CarbonylContact C-O 3.49Å; S38-K45 WeakPolarHBondContact CA-O 3.47Å; S38-R115 PolarHBondContact O-NH1 2.88Å; S38-R115 WeakPolarHBondContact OG-CG 3.5Å; S38-K116 PolarHBondContact N-O 2.84Å; S38-K116 PolarHBondContact OG-N 3.35Å; S38-K116 PolarHBondContact OG-O 2.77Å
39S96.7Very high96.9Very high12 Ų1250.7 Ų50.78%0.08425%0.253CS..  trans-74.3132.4177.3-174.60000111.1R41 H42 P43 K45S39-R41 PolarHBondContact O-N 3.44Å; S39-R41 VanDerWaalsContact O-N 3.09Å; S39-H42 WeakPolarHBondContact CB-O 3.24Å; S39-H42 CarbonylContact O-C 3.48Å; S39-H42 VanDerWaalsContact O-C 3.26Å; S39-H42 PolarHBondContact O-N 3.02Å; S39-P43 WeakPolarHBondContact O-CA 3.27Å; S39-K45 PolarHBondContact N-O 3.38Å
40S93.1Very high97Very high35 Ų3542.8 Ų42.825%0.24522%0.216CC..SBendtrans-60.8-20.617659.90000114.8
41R91.9Very high97Very high144 Ų14440 Ų4054%0.54320%0.198SC..SBendtrans-96.8-29.5177.6-65.7-177.3-178.8-167.1-4.4113.4S39S39-R41 PolarHBondContact O-N 3.44Å; S39-R41 VanDerWaalsContact O-N 3.09Å
42H94.3Very high97Very high93 Ų9338.7 Ų38.743%0.43119%0.193SC..  trans-138.783.6-175-59.7-66.7000107.8S39 D44 K45S39-H42 WeakPolarHBondContact CB-O 3.24Å; S39-H42 CarbonylContact O-C 3.48Å; S39-H42 VanDerWaalsContact O-C 3.26Å; S39-H42 PolarHBondContact O-N 3.02Å; H42-D44 VanDerWaalsContact C-OD1 3.23Å; H42-D44 PolarHBondContact O-N 3.06Å; H42-K45 HydrophobicContact CB-CB 4.23Å; H42-K45 HydrophobicContact CB-CD 3.66Å; H42-K45 HydrophobicContact CB-CG 3.92Å; H42-K45 WeakPolarHBondContact O-CB 3.3Å; H42-K45 PolarHBondContact O-N 3.3Å
43P93.8Very high97.1Very high88 Ų8832.4 Ų32.457%0.57116%0.164SC*.THydrogen-bonded Turntrans-60.9-14.8-172.2-2636.1000114.9S39 K45S39-P43 WeakPolarHBondContact O-CA 3.27Å; P43-K45 VanDerWaalsContact C-N 3.29Å
44D94.4Very high97Very high119 Ų11932.5 Ų32.564%0.63616%0.164SC*.THydrogen-bonded Turntrans-77-8.4172.458.9-58.6000114H42H42-D44 VanDerWaalsContact C-OD1 3.23Å; H42-D44 PolarHBondContact O-N 3.06Å
45K97.1Very high96.8Very high46 Ų4635.9 Ų35.920%0.219%0.187CC..SBendtrans-114.7143.8-175.6-58.3-178.5179.9-166.90111.5S38 S39 H42 P43 H132S38-K45 CarbonylContact C-O 3.49Å; S38-K45 WeakPolarHBondContact CA-O 3.47Å; S39-K45 PolarHBondContact N-O 3.38Å; H42-K45 HydrophobicContact CB-CB 4.23Å; H42-K45 HydrophobicContact CB-CD 3.66Å; H42-K45 HydrophobicContact CB-CG 3.92Å; H42-K45 WeakPolarHBondContact O-CB 3.3Å; H42-K45 PolarHBondContact O-N 3.3Å; P43-K45 VanDerWaalsContact C-N 3.29Å; K45-H132 HydrophobicContact CD-CB 4.12Å; K45-H132 WeakPolarHBondContact CD-CD2 3.24Å; K45-H132 WeakPolarHBondContact CE-CD2 3.1Å; K45-H132 WeakPolarHBondContact CE-NE2 3.2Å; K45-H132 PolarHBondContact NZ-CD2 3.19Å; K45-H132 PolarHBondContact NZ-CE1 3.15Å; K45-H132 PolarHBondContact NZ-ND1 3.44Å; K45-H132 PolarHBondContact NZ-NE2 3.24Å
46W98.3Very high96.6Very high44 Ų4445.3 Ų45.317%0.16723%0.23CC..EExtended strand (participates in β ladder)trans-96.9148.3178.7-60.7104.7000112.3L36 V37 K116 E118 F120 V128 L129L36-W46 HydrophobicContact CB-CB 4.24Å; L36-W46 HydrophobicContact CB-CE3 4.15Å; L36-W46 HydrophobicContact CD1-CB 3.95Å; V37-W46 VanDerWaalsContact C-CE3 3.44Å; V37-W46 CarbonylContact O-C 3.53Å; W46-K116 HydrophobicContact CH2-CB 4.28Å; W46-E118 HydrophobicContact CH2-CB 3.5Å; W46-E118 HydrophobicContact CZ2-CB 4.06Å; W46-E118 HydrophobicContact CZ3-CB 3.89Å; W46-F120 AromaticContact CD1-CZ 3.84Å; W46-F120 AromaticContact CD2-CE2 3.92Å; W46-F120 HydrophobicContact CD2-CE2 3.92Å; W46-F120 AromaticContact CD2-CZ 3.8Å; W46-F120 HydrophobicContact CD2-CZ 3.8Å; W46-F120 AromaticContact CE2-CZ 3.63Å; W46-F120 HydrophobicContact CE3-CE2 4.09Å; W46-F120 HydrophobicContact CE3-CZ 4.4Å; W46-F120 HydrophobicContact CG-CE2 4.25Å; W46-F120 AromaticContact CG-CZ 3.95Å; W46-F120 HydrophobicContact CG-CZ 3.95Å; W46-F120 HydrophobicContact CZ2-CE2 4.49Å; W46-F120 HydrophobicContact CZ2-CZ 4.11Å; W46-F120 HydrophobicContact CZ3-CE2 4.46Å; W46-F120 AromaticContact NE1-CZ 3.64Å; W46-V128 HydrophobicContact CB-CG2 4.02Å; W46-V128 HydrophobicContact CG-CG2 4.43Å; W46-L129 WeakPolarHBondContact O-CD2 3.39Å
47I98.6Very high96.5Very high16 Ų1646.6 Ų46.68%0.08224%0.236CC..EExtended strand (participates in β ladder)trans-142.5155.7176.570.3172.6000110.4V37 K133V37-I47 HydrophobicContact CG2-CD1 4.38Å; V37-I47 HydrophobicContact CG2-CG1 3.73Å; V37-I47 PolarHBondContact N-O 2.84Å; V37-I47 WeakPolarHBondContact O-CG1 3.29Å; V37-I47 PolarHBondContact O-N 3.02Å; I47-K133 HydrophobicContact CG2-CD 4.38Å; I47-K133 HydrophobicContact CG2-CG 3.89Å
48V98.7Very high96.4Very high2 Ų252.5 Ų52.51%0.01226%0.264CS..  trans-68.8130.3165.8177.60000109A22 C23 L24 L36 L129 Q136 Y139 F140A22-V48 HydrophobicContact CB-CG1 4.28Å; C23-V48 VanDerWaalsContact O-CG1 3.28Å; C23-V48 WeakPolarHBondContact O-CG1 3.34Å; L24-V48 HydrophobicContact CD2-CG1 4.04Å; L24-V48 HydrophobicContact CD2-CG2 4.23Å; L36-V48 HydrophobicContact CD2-CG2 3.98Å; V48-L129 HydrophobicContact CG2-CD1 3.95Å; V48-Q136 HydrophobicContact CG2-CB 4.02Å; V48-Q136 HydrophobicContact CG2-CG 4.5Å; V48-Y139 HydrophobicContact CB-CD2 4.48Å; V48-Y139 HydrophobicContact CB-CE2 4.41Å; V48-Y139 HydrophobicContact CG1-CD2 4.3Å; V48-Y139 HydrophobicContact CG1-CE2 4.34Å; V48-Y139 HydrophobicContact CG2-CD2 4.17Å; V48-Y139 HydrophobicContact CG2-CE2 4.5Å; V48-F140 HydrophobicContact CG2-CE2 4.17Å; V48-F140 HydrophobicContact CG2-CZ 4.43Å
49P98.7Very high96.4Very high0 Ų053.2 Ų53.20%027%0.269CS..  trans-65.5134.4178.927.6-34.3000111.1A22 C23 V37 V67 E70 A71A22-P49 WeakPolarHBondContact CA-O 3.49Å; A22-P49 WeakPolarHBondContact CB-O 3.35Å; C23-P49 PolarHBondContact N-O 3.43Å; V37-P49 HydrophobicContact CG1-CB 4.18Å; V37-P49 HydrophobicContact CG2-CB 3.98Å; P49-V67 HydrophobicContact CB-CG2 4.5Å; P49-V67 HydrophobicContact CG-CG2 4.41Å; P49-E70 HydrophobicContact CB-CB 4.27Å; P49-A71 HydrophobicContact CB-CB 4.1Å; P49-A71 HydrophobicContact CG-CB 4.3Å
50G98.2Very high96.5Very high2 Ų255.8 Ų55.82%0.02128%0.282CS..EExtended strand (participates in β ladder)trans161.5157-178.500000112.5R20 A21R20-G50 PolarHBondContact NH2-O 3.48Å; A21-G50 CarbonylContact O-C 3.59Å; A21-G50 WeakPolarHBondContact O-CA 3.39Å
51G97.6Very high96.8Very high7 Ų758 Ų587%0.07229%0.293CS..EExtended strand (participates in β ladder)trans-150.4-148.9-169.600000113.3R20 A21 E66R20-G51 WeakPolarHBondContact CA-O 3.43Å; R20-G51 WeakPolarHBondContact CB-O 3.21Å; R20-G51 VanDerWaalsContact CG-O 3.24Å; R20-G51 WeakPolarHBondContact CG-O 3.31Å; R20-G51 PolarHBondContact NE-O 3.12Å; R20-G51 VanDerWaalsContact NE-O 3.12Å; A21-G51 PolarHBondContact N-O 3.38Å; A21-G51 PolarHBondContact O-N 2.89Å; G51-E66 WeakPolarHBondContact CA-OE1 3.48Å; G51-E66 WeakPolarHBondContact CA-OE2 3.49Å
52G97.4Very high97.1Very high6 Ų651.1 Ų51.16%0.06227%0.267CS..EExtended strand (participates in β ladder)trans-91.6143.3-175.500000110.5R65 E66G52-R65 PolarHBondContact O-NH2 3.4Å; G52-E66 PolarHBondContact N-OE1 2.96Å; G52-E66 VanDerWaalsContact N-OE1 3.15Å
53M98Very high97.3Very high1 Ų146.7 Ų46.71%0.00525%0.247CC..PPolyproline II helixtrans-75.5138.3167-64.1172.960.300109.6T11 K19 A21 E57 P59 A62 Y94T11-M53 WeakPolarHBondContact CG2-O 3.42Å; T11-M53 PolarHBondContact OG1-O 3.4Å; K19-M53 HydrophobicContact CB-CB 4.1Å; K19-M53 HydrophobicContact CB-CG 4.28Å; K19-M53 HydrophobicContact CB-SD 3.81Å; K19-M53 PolarHBondContact O-N 2.88Å; K19-M53 VanDerWaalsContact O-N 3.09Å; A21-M53 HydrophobicContact CB-CG 4.2Å; M53-E57 WeakPolarHBondContact CE-O 3.35Å; M53-P59 HydrophobicContact CE-CB 4.01Å; M53-P59 HydrophobicContact CE-CG 3.62Å; M53-P59 HydrophobicContact SD-CB 4.17Å; M53-P59 HydrophobicContact SD-CG 4.21Å; M53-A62 HydrophobicContact CB-CB 4.3Å; M53-A62 HydrophobicContact CG-CB 3.72Å; M53-Y94 HydrophobicContact SD-CD2 4.04Å; M53-Y94 HydrophobicContact SD-CE2 4.22Å
54E96.1Very high97.5Very high61 Ų6144.4 Ų44.429%0.28524%0.236SC..PPolyproline II helixtrans-82.4162.6173.2-68-176.9-164.100111.4Q8 T11 E56 E57 R65Q8-E54 HydrophobicContact CG-CG 3.78Å; Q8-E54 WeakPolarHBondContact CG-OE1 3.41Å; Q8-E54 PolarHBondContact NE2-OE1 3.23Å; T11-E54 VanDerWaalsContact CG2-C 3.49Å; E54-E56 PolarHBondContact O-N 3.23Å; E54-E57 HydrophobicContact CB-CB 4.03Å; E54-E57 PolarHBondContact N-OE2 3.45Å; E54-E57 VanDerWaalsContact O-CB 3.28Å; E54-E57 WeakPolarHBondContact O-CB 3.39Å; E54-E57 PolarHBondContact O-N 3.07Å; E54-R65 IonicContact OE1-CZ 3.75Å; E54-R65 IonicContact OE1-NE 3.99Å; E54-R65 IonicContact OE1-NH1 2.74Å; E54-R65 IonicContact OE1-NH2 3.68Å
55P95.6Very high97.7Very high73 Ų7341 Ų4147%0.47421%0.214SC..THydrogen-bonded Turntrans-55.3135.6174.6-25.235.4000111.3T9 T11 E57T9-P55 HydrophobicContact CG2-CG 3.81Å; T11-P55 HydrophobicContact CG2-CB 4.34Å; T11-P55 HydrophobicContact CG2-CG 3.93Å; P55-E57 PolarHBondContact O-N 3.38Å
56E93.9Very high97.7Very high200 Ų20038.8 Ų38.894%0.93520%0.204SC*.THydrogen-bonded Turntrans61.68.7179.9-51.5-179.1164.900114.6E54E54-E56 PolarHBondContact O-N 3.23Å
57E96.6Very high97.7Very high27 Ų2736.7 Ų36.713%0.12620%0.196CC..  trans-85.3128.8177.5-167.5-179-146.100111.2M53 E54 P55 V61 A62 R65M53-E57 WeakPolarHBondContact CE-O 3.35Å; E54-E57 HydrophobicContact CB-CB 4.03Å; E54-E57 PolarHBondContact N-OE2 3.45Å; E54-E57 VanDerWaalsContact O-CB 3.28Å; E54-E57 WeakPolarHBondContact O-CB 3.39Å; E54-E57 PolarHBondContact O-N 3.07Å; P55-E57 PolarHBondContact O-N 3.38Å; E57-V61 HydrophobicContact CG-CB 4.18Å; E57-V61 HydrophobicContact CG-CG1 4.06Å; E57-A62 VanDerWaalsContact CD-CA 3.49Å; E57-A62 VanDerWaalsContact CD-CB 3.48Å; E57-A62 HydrophobicContact CG-CB 4.01Å; E57-A62 WeakPolarHBondContact OE1-CA 3.32Å; E57-A62 WeakPolarHBondContact OE2-CB 3.46Å; E57-R65 IonicContact OE1-CZ 3.89Å; E57-R65 IonicContact OE1-NE 3.17Å; E57-R65 PolarHBondContact OE1-NE 3.16Å; E57-R65 IonicContact OE1-NH2 2.86Å; E57-R65 PolarHBondContact OE1-NH2 3.2Å; E57-R65 IonicContact OE2-CZ 2.92Å; E57-R65 IonicContact OE2-NE 2.98Å; E57-R65 IonicContact OE2-NH2 3.78Å; E57-R65 PolarHBondContact OE2-NH2 3.47Å
58E98Very high97.7Very high124 Ų12437.9 Ų37.958%0.57921%0.206SC*.  trans-70.6144.2173.8-68.6-60.2142.600111.4N60 V61 A62E58-N60 VanDerWaalsContact C-N 3.27Å; E58-N60 WeakPolarHBondContact CB-OD1 3.32Å; E58-N60 PolarHBondContact O-N 3.13Å; E58-V61 HydrophobicContact CB-CG2 4.19Å; E58-V61 PolarHBondContact O-N 3.26Å; E58-V61 VanDerWaalsContact O-N 3.09Å; E58-A62 PolarHBondContact O-N 3.21Å
59P98.4Very high97.7Very high17 Ų1738.9 Ų38.911%0.1121%0.21CC..Hα-helixtrans-58.4-35.2-174.6-20.626.8000114.5A21 M53 A63 Y94 Y96A21-P59 VanDerWaalsContact CB-O 3.25Å; A21-P59 WeakPolarHBondContact CB-O 3.33Å; M53-P59 HydrophobicContact CE-CB 4.01Å; M53-P59 HydrophobicContact CE-CG 3.62Å; M53-P59 HydrophobicContact SD-CB 4.17Å; M53-P59 HydrophobicContact SD-CG 4.21Å; P59-A63 WeakPolarHBondContact O-CB 3.28Å; P59-A63 PolarHBondContact O-N 3.47Å; P59-Y94 HydrophobicContact CB-CD1 3.83Å; P59-Y94 HydrophobicContact CB-CD2 3.92Å; P59-Y94 HydrophobicContact CB-CE1 4.38Å; P59-Y94 HydrophobicContact CB-CE2 4.47Å; P59-Y94 HydrophobicContact CB-CG 3.58Å; P59-Y94 HydrophobicContact CG-CD1 3.97Å; P59-Y94 HydrophobicContact CG-CD2 4.14Å; P59-Y94 HydrophobicContact CG-CE1 4.01Å; P59-Y94 HydrophobicContact CG-CE2 4.2Å; P59-Y94 HydrophobicContact CG-CG 4.05Å; P59-Y96 HydrophobicContact CB-CE2 4.15Å
60N98.2Very high97.7Very high67 Ų6739.5 Ų39.536%0.35821%0.213SC..Hα-helixtrans-67.6-40.5177.659.2-12.6000112.2E58 A63 A64 L77 Y96E58-N60 VanDerWaalsContact C-N 3.27Å; E58-N60 WeakPolarHBondContact CB-OD1 3.32Å; E58-N60 PolarHBondContact O-N 3.13Å; N60-A63 PolarHBondContact O-N 3.09Å; N60-A64 PolarHBondContact O-N 2.86Å; N60-A64 VanDerWaalsContact O-N 3.13Å; N60-L77 HydrophobicContact CB-CD2 3.57Å; N60-Y96 HydrophobicContact CB-CE1 4.19Å; N60-Y96 HydrophobicContact CB-CE2 4.36Å
61V98.3Very high97.7Very high80 Ų8039.4 Ų39.449%0.48521%0.212SC..Hα-helixtrans-64.3-47.5174.9177.20000109.8E57 E58 A63 A64 R65E57-V61 HydrophobicContact CG-CB 4.18Å; E57-V61 HydrophobicContact CG-CG1 4.06Å; E58-V61 HydrophobicContact CB-CG2 4.19Å; E58-V61 PolarHBondContact O-N 3.26Å; E58-V61 VanDerWaalsContact O-N 3.09Å; V61-A63 VanDerWaalsContact C-N 3.3Å; V61-A63 PolarHBondContact O-N 3.48Å; V61-A64 PolarHBondContact O-N 3.07Å; V61-R65 WeakPolarHBondContact O-CB 3.47Å; V61-R65 PolarHBondContact O-N 3.26Å
62A98.4Very high97.8Very high0 Ų039 Ų390%021%0.208CC..Hα-helixtrans-58.5-41.8176.500000112.2A21 M53 E57 E58 E66A21-A62 HydrophobicContact CB-CB 3.68Å; M53-A62 HydrophobicContact CB-CB 4.3Å; M53-A62 HydrophobicContact CG-CB 3.72Å; E57-A62 VanDerWaalsContact CD-CA 3.49Å; E57-A62 VanDerWaalsContact CD-CB 3.48Å; E57-A62 HydrophobicContact CG-CB 4.01Å; E57-A62 WeakPolarHBondContact OE1-CA 3.32Å; E57-A62 WeakPolarHBondContact OE2-CB 3.46Å; E58-A62 PolarHBondContact O-N 3.21Å; A62-E66 WeakPolarHBondContact O-CB 3.49Å; A62-E66 WeakPolarHBondContact O-CG 3.28Å; A62-E66 PolarHBondContact O-N 3.43Å
63A98.6Very high97.8Very high0 Ų038.8 Ų38.80%021%0.206CC..Hα-helixtrans-61.7-50.4178.400000111.2A21 C23 P59 N60 V61 R65 E66 V67 Y96A21-A63 HydrophobicContact CB-CB 3.9Å; C23-A63 VanDerWaalsContact SG-CB 3.56Å; P59-A63 WeakPolarHBondContact O-CB 3.28Å; P59-A63 PolarHBondContact O-N 3.47Å; N60-A63 PolarHBondContact O-N 3.09Å; V61-A63 VanDerWaalsContact C-N 3.3Å; V61-A63 PolarHBondContact O-N 3.48Å; A63-R65 PolarHBondContact O-N 2.84Å; A63-E66 PolarHBondContact O-N 3.1Å; A63-V67 WeakPolarHBondContact O-CB 3.05Å; A63-V67 WeakPolarHBondContact O-CG2 3.12Å; A63-V67 PolarHBondContact O-N 2.66Å; A63-V67 VanDerWaalsContact O-N 3.09Å; A63-Y96 HydrophobicContact CB-CD2 3.87Å; A63-Y96 HydrophobicContact CB-CE2 4.49Å
64A98.4Very high97.9Very high41 Ų4143 Ų4334%0.33922%0.224SC..Hα-helixtrans-62.6-43.5179.500000112.3N60 V61 C68N60-A64 PolarHBondContact O-N 2.86Å; N60-A64 VanDerWaalsContact O-N 3.13Å; V61-A64 PolarHBondContact O-N 3.07Å; A64-C68 PolarHBondContact O-N 3.26Å; A64-C68 VanDerWaalsContact O-N 3.11Å
65R98.3Very high98Very high47 Ų4741.5 Ų41.518%0.17722%0.224CC..Hα-helixtrans-59.6-53.5176.4177.5-176.152.967.1-1.7111.4G52 E54 E57 V61 A63 V67 C68 E69G52-R65 PolarHBondContact O-NH2 3.4Å; E54-R65 IonicContact OE1-CZ 3.75Å; E54-R65 IonicContact OE1-NE 3.99Å; E54-R65 IonicContact OE1-NH1 2.74Å; E54-R65 IonicContact OE1-NH2 3.68Å; E57-R65 IonicContact OE1-CZ 3.89Å; E57-R65 IonicContact OE1-NE 3.17Å; E57-R65 PolarHBondContact OE1-NE 3.16Å; E57-R65 IonicContact OE1-NH2 2.86Å; E57-R65 PolarHBondContact OE1-NH2 3.2Å; E57-R65 IonicContact OE2-CZ 2.92Å; E57-R65 IonicContact OE2-NE 2.98Å; E57-R65 IonicContact OE2-NH2 3.78Å; E57-R65 PolarHBondContact OE2-NH2 3.47Å; V61-R65 WeakPolarHBondContact O-CB 3.47Å; V61-R65 PolarHBondContact O-N 3.26Å; A63-R65 PolarHBondContact O-N 2.84Å; R65-V67 VanDerWaalsContact C-N 3.29Å; R65-V67 PolarHBondContact O-N 2.79Å; R65-C68 WeakPolarHBondContact O-CB 3.48Å; R65-C68 PolarHBondContact O-N 2.92Å; R65-C68 VanDerWaalsContact O-N 3.13Å; R65-E69 WeakPolarHBondContact CD-OE1 3.42Å; R65-E69 HydrophobicContact CG-CG 4.45Å; R65-E69 WeakPolarHBondContact CG-OE1 3.42Å; R65-E69 IonicContact CZ-OE1 2.95Å; R65-E69 IonicContact NE-OE1 2.84Å; R65-E69 IonicContact NH1-OE1 3.23Å; R65-E69 PolarHBondContact NH1-OE1 3.25Å; R65-E69 IonicContact NH1-OE2 3.05Å; R65-E69 WeakPolarHBondContact O-CG 3.4Å; R65-E69 PolarHBondContact O-N 2.66Å
66E98.4Very high98.1Very high0 Ų042.5 Ų42.50%023%0.229CC..Hα-helixtrans-61.1-38.2-177.5-73.8-72.3176.600112.4K5 Q8 G51 G52 A62 A63 C68 E69 E70K5-E66 IonicContact NZ-OE1 2.75Å; K5-E66 PolarHBondContact NZ-OE1 3.11Å; K5-E66 IonicContact NZ-OE2 2.71Å; K5-E66 PolarHBondContact NZ-OE2 3.03Å; Q8-E66 PolarHBondContact OE1-OE1 2.81Å; G51-E66 WeakPolarHBondContact CA-OE1 3.48Å; G51-E66 WeakPolarHBondContact CA-OE2 3.49Å; G52-E66 PolarHBondContact N-OE1 2.96Å; G52-E66 VanDerWaalsContact N-OE1 3.15Å; A62-E66 WeakPolarHBondContact O-CB 3.49Å; A62-E66 WeakPolarHBondContact O-CG 3.28Å; A62-E66 PolarHBondContact O-N 3.43Å; A63-E66 PolarHBondContact O-N 3.1Å; E66-C68 VanDerWaalsContact C-N 3.35Å; E66-E69 PolarHBondContact O-N 3.18Å; E66-E70 WeakPolarHBondContact O-CB 3.41Å; E66-E70 VanDerWaalsContact O-CG 3.28Å; E66-E70 WeakPolarHBondContact O-CG 3.41Å; E66-E70 PolarHBondContact O-N 2.77Å
67V98.5Very high98.3Very high0 Ų035.7 Ų35.70%020%0.199CC..Hα-helixtrans-66.8-39.4177.3173.90000111.2C23 C25 P49 A63 R65 A71 G72 V73 L98C23-V67 HydrophobicContact CB-CG2 3.57Å; C25-V67 WeakPolarHBondContact SG-CG1 3.48Å; P49-V67 HydrophobicContact CB-CG2 4.5Å; P49-V67 HydrophobicContact CG-CG2 4.41Å; A63-V67 WeakPolarHBondContact O-CB 3.05Å; A63-V67 WeakPolarHBondContact O-CG2 3.12Å; A63-V67 PolarHBondContact O-N 2.66Å; A63-V67 VanDerWaalsContact O-N 3.09Å; R65-V67 VanDerWaalsContact C-N 3.29Å; R65-V67 PolarHBondContact O-N 2.79Å; V67-A71 HydrophobicContact CG1-CB 4.36Å; V67-A71 CarbonylContact O-C 3.53Å; V67-A71 WeakPolarHBondContact O-CA 3.22Å; V67-A71 VanDerWaalsContact O-CB 3.31Å; V67-A71 WeakPolarHBondContact O-CB 3.5Å; V67-A71 PolarHBondContact O-N 2.82Å; V67-G72 PolarHBondContact O-N 2.83Å; V67-V73 HydrophobicContact CG1-CG2 3.33Å; V67-L98 HydrophobicContact CG1-CD1 4.49Å
68C98.4Very high98.3Very high41 Ų4136.2 Ų36.228%0.27721%0.212SC..Hα-helixtrans-62.1-45.8173.5-172.70000111.1A64 R65 E66 G72A64-C68 PolarHBondContact O-N 3.26Å; A64-C68 VanDerWaalsContact O-N 3.11Å; R65-C68 WeakPolarHBondContact O-CB 3.48Å; R65-C68 PolarHBondContact O-N 2.92Å; R65-C68 VanDerWaalsContact O-N 3.13Å; E66-C68 VanDerWaalsContact C-N 3.35Å; C68-G72 VanDerWaalsContact O-CA 3.24Å; C68-G72 WeakPolarHBondContact O-CA 3.31Å; C68-G72 PolarHBondContact O-N 2.86Å
69E97.8Very high98.3Very high23 Ų2334.8 Ų34.811%0.10720%0.201CC..Hα-helixtrans-67.2-42.8179.8-68.4174.7-153.500113.2K5 Q8 R65 E66 W107 D109K5-E69 WeakPolarHBondContact CE-OE2 3.42Å; K5-E69 IonicContact NZ-OE2 3.85Å; K5-E69 PolarHBondContact NZ-OE2 3.42Å; Q8-E69 PolarHBondContact NE2-OE1 3.47Å; R65-E69 WeakPolarHBondContact CD-OE1 3.42Å; R65-E69 HydrophobicContact CG-CG 4.45Å; R65-E69 WeakPolarHBondContact CG-OE1 3.42Å; R65-E69 IonicContact CZ-OE1 2.95Å; R65-E69 IonicContact NE-OE1 2.84Å; R65-E69 IonicContact NH1-OE1 3.23Å; R65-E69 PolarHBondContact NH1-OE1 3.25Å; R65-E69 IonicContact NH1-OE2 3.05Å; R65-E69 WeakPolarHBondContact O-CG 3.4Å; R65-E69 PolarHBondContact O-N 2.66Å; E66-E69 PolarHBondContact O-N 3.18Å; E69-W107 VanDerWaalsContact O-CD1 3.31Å; E69-D109 WeakPolarHBondContact O-CB 3.47Å; E69-D109 PolarHBondContact O-N 3.43Å
70E98.4Very high98.3Very high12 Ų1237.8 Ų37.86%0.05622%0.216CC..Hα-helixtrans-91.4-35.2-172.1-58.4-137.9147.300113.4K3 P49 E66 W107 R115K3-E70 IonicContact NZ-OE1 2.82Å; K3-E70 PolarHBondContact NZ-OE1 3.02Å; P49-E70 HydrophobicContact CB-CB 4.27Å; E66-E70 WeakPolarHBondContact O-CB 3.41Å; E66-E70 VanDerWaalsContact O-CG 3.28Å; E66-E70 WeakPolarHBondContact O-CG 3.41Å; E66-E70 PolarHBondContact O-N 2.77Å; E70-W107 PolarHBondContact O-NE1 2.89Å; E70-R115 WeakPolarHBondContact O-CD 3.26Å; E70-R115 IonicContact OE1-CZ 3.68Å; E70-R115 IonicContact OE1-NH2 3.99Å; E70-R115 PolarHBondContact OE1-NH2 2.97Å; E70-R115 IonicContact OE2-CZ 4Å; E70-R115 VanDerWaalsContact OE2-CZ 3.23Å; E70-R115 IonicContact OE2-NH1 3.65Å; E70-R115 PolarHBondContact OE2-NH1 3.44Å; E70-R115 IonicContact OE2-NH2 3.76Å; E70-R115 PolarHBondContact OE2-NH2 2.84Å
71A98.6Very high98.2Very high0 Ų035.5 Ų35.50%020%0.204CC..Hα-helixtrans-114.5-10.7-173.800000113.3L35 V37 P49 V67 V73 R117L35-A71 HydrophobicContact CD2-CB 3.95Å; V37-A71 HydrophobicContact CG1-CB 3.59Å; P49-A71 HydrophobicContact CB-CB 4.1Å; P49-A71 HydrophobicContact CG-CB 4.3Å; V67-A71 HydrophobicContact CG1-CB 4.36Å; V67-A71 CarbonylContact O-C 3.53Å; V67-A71 WeakPolarHBondContact O-CA 3.22Å; V67-A71 VanDerWaalsContact O-CB 3.31Å; V67-A71 WeakPolarHBondContact O-CB 3.5Å; V67-A71 PolarHBondContact O-N 2.82Å; A71-V73 VanDerWaalsContact C-N 3.27Å; A71-V73 HydrophobicContact CB-CG2 4.17Å; A71-V73 PolarHBondContact O-N 3.4Å; A71-R117 WeakPolarHBondContact O-CD 3.12Å; A71-R117 PolarHBondContact O-NH1 2.83Å
72G98.6Very high98.2Very high0 Ų032.6 Ų32.60%019%0.19CC..  trans63.13417900000113V67 C68 L104 W107 R117V67-G72 PolarHBondContact O-N 2.83Å; C68-G72 VanDerWaalsContact O-CA 3.24Å; C68-G72 WeakPolarHBondContact O-CA 3.31Å; C68-G72 PolarHBondContact O-N 2.86Å; G72-L104 VanDerWaalsContact O-CB 3.29Å; G72-L104 WeakPolarHBondContact O-CB 3.24Å; G72-L104 WeakPolarHBondContact O-CG 3.05Å; G72-L104 PolarHBondContact O-N 2.96Å; G72-W107 VanDerWaalsContact CA-CG 3.46Å; G72-R117 PolarHBondContact O-NH1 2.75Å
73V98.8Very high98.2Very high1 Ų135.8 Ų35.81%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-124.2148.4178-58.60000111.3C25 L35 V67 A71 V100 E102 V103C25-V73 HydrophobicContact CB-CG2 4.49Å; L35-V73 HydrophobicContact CD2-CG1 3.58Å; L35-V73 HydrophobicContact CD2-CG2 4.16Å; V67-V73 HydrophobicContact CG1-CG2 3.33Å; A71-V73 VanDerWaalsContact C-N 3.27Å; A71-V73 HydrophobicContact CB-CG2 4.17Å; A71-V73 PolarHBondContact O-N 3.4Å; V73-V100 HydrophobicContact CB-CG1 3.97Å; V73-V100 HydrophobicContact CB-CG2 4.17Å; V73-V100 HydrophobicContact CG1-CG1 4.11Å; V73-V100 HydrophobicContact CG2-CG2 3.99Å; V73-E102 VanDerWaalsContact CA-O 3.3Å; V73-E102 WeakPolarHBondContact CA-O 3.4Å; V73-V103 HydrophobicContact CG1-CB 4.48Å; V73-V103 HydrophobicContact CG1-CG1 4.34Å; V73-V103 HydrophobicContact CG1-CG2 4.09Å
74K98.7Very high98.2Very high90 Ų9037.1 Ų37.139%0.39122%0.215SC..EExtended strand (participates in β ladder)trans-122.9161.4167.8-52.5177-163.4140.70108.9T101 E102K74-T101 PolarHBondContact O-N 2.89Å; K74-E102 HydrophobicContact CB-CB 4.21Å; K74-E102 PolarHBondContact N-O 2.96Å; K74-E102 IonicContact NZ-OE1 2.93Å; K74-E102 PolarHBondContact NZ-OE1 2.8Å; K74-E102 IonicContact NZ-OE2 3.32Å; K74-E102 PolarHBondContact NZ-OE2 3.47Å; K74-E102 PolarHBondContact O-N 2.98Å; K74-E102 VanDerWaalsContact O-N 3.12Å
75G98.2Very high98.2Very high28 Ų2838.9 Ų38.929%0.28922%0.217SC..EExtended strand (participates in β ladder)trans-175.3179.8-17400000113.3L77 I99 T101G75-L77 PolarHBondContact O-N 3.45Å; G75-I99 CarbonylContact C-O 3.55Å; G75-I99 WeakPolarHBondContact CA-O 3.44Å; G75-T101 WeakPolarHBondContact CA-OG1 3.29Å
76T98.5Very high98.1Very high94 Ų9438.4 Ų38.458%0.57722%0.218SC*.EExtended strand (participates in β ladder)trans-80.1114.1170.6-55.50000108.2G78 I99T76-G78 PolarHBondContact O-N 2.82Å; T76-I99 PolarHBondContact N-O 3.47Å; T76-I99 PolarHBondContact O-N 2.77Å
77L98.4Very high98Very high58 Ų5845.7 Ų45.730%0.30425%0.249SC..EExtended strand (participates in β ladder)trans-71.5127.3174.2-166.674.3000109.4N60 G75 Y96 L98N60-L77 HydrophobicContact CB-CD2 3.57Å; G75-L77 PolarHBondContact O-N 3.45Å; L77-Y96 HydrophobicContact CD1-CG 4.36Å; L77-Y96 HydrophobicContact CD2-CD1 4.48Å; L77-L98 HydrophobicContact CD1-CB 4.37Å; L77-L98 HydrophobicContact CD1-CD1 4.27Å
78G97.2Very high97.8Very high38 Ų3853.9 Ų53.939%0.39229%0.287SS..EExtended strand (participates in β ladder)trans-105.3-147-177.600000113T76 V97T76-G78 PolarHBondContact O-N 2.82Å; G78-V97 PolarHBondContact N-O 2.8Å
79R97Very high97.6Very high93 Ų9358 Ų5835%0.35130%0.297SS..EExtended strand (participates in β ladder)trans-65.8152.5-176.369.5-173.8-179.8-72.22.1112.8E31 V81 Y96 V97E31-R79 IonicContact OE1-CZ 3.48Å; E31-R79 IonicContact OE1-NH1 2.66Å; E31-R79 PolarHBondContact OE1-NH1 2.9Å; E31-R79 IonicContact OE1-NH2 3.84Å; E31-R79 IonicContact OE2-CZ 2.84Å; E31-R79 IonicContact OE2-NH1 3.52Å; E31-R79 IonicContact OE2-NH2 3.31Å; E31-R79 PolarHBondContact OE2-NH2 3.41Å; R79-V81 PolarHBondContact O-N 3.29Å; R79-Y96 WeakPolarHBondContact O-CA 3.19Å; R79-V97 HydrophobicContact CG-CB 4.46Å; R79-V97 HydrophobicContact CG-CG2 4.04Å; R79-V97 PolarHBondContact O-N 2.71Å
80L97.9Very high97.6Very high81 Ų8161.9 Ų61.942%0.42431%0.314SS..EExtended strand (participates in β ladder)trans-69.8121.4161.7178.870.6000108Y94 V95 Y96L80-Y94 HydrophobicContact CD1-CD1 4.3Å; L80-V95 WeakPolarHBondContact CD1-O 3.3Å; L80-Y96 HydrophobicContact CB-CD1 4.07Å; L80-Y96 HydrophobicContact CB-CE1 3.77Å; L80-Y96 HydrophobicContact CD1-CD1 4.22Å; L80-Y96 HydrophobicContact CD1-CD2 4.19Å; L80-Y96 HydrophobicContact CD1-CE1 3.85Å; L80-Y96 HydrophobicContact CD1-CE2 3.81Å; L80-Y96 HydrophobicContact CD1-CG 4.38Å; L80-Y96 HydrophobicContact CG-CE1 4.4Å
81V97.8Very high97.6Very high19 Ų1962.9 Ų62.912%0.11532%0.318CS..EExtended strand (participates in β ladder)trans-74.6-43.4172.5-178.80000109.6L24 R79 F84 V95 V97 A142 L143L24-V81 HydrophobicContact CD1-CG2 4.3Å; R79-V81 PolarHBondContact O-N 3.29Å; V81-F84 HydrophobicContact CG1-CE2 4.41Å; V81-F84 HydrophobicContact CG1-CZ 4.28Å; V81-V95 HydrophobicContact CB-CB 4.45Å; V81-V95 HydrophobicContact CB-CG1 4.29Å; V81-V95 WeakPolarHBondContact CB-O 3.17Å; V81-V95 HydrophobicContact CG2-CG1 4.43Å; V81-V95 PolarHBondContact N-O 3.49Å; V81-V97 HydrophobicContact CG2-CG2 3.63Å; V81-A142 HydrophobicContact CG1-CB 4.19Å; V81-L143 HydrophobicContact CG1-CB 4.4Å; V81-L143 HydrophobicContact CG2-CD1 4.01Å
82G97.8Very high97.6Very high18 Ų1864.7 Ų64.719%0.18633%0.325CS..EExtended strand (participates in β ladder)trans167.4-176.5177.300000113.7V95G82-V95 PolarHBondContact N-O 3.05Å; G82-V95 PolarHBondContact O-N 2.91Å
83V98.2Very high97.6Very high67 Ų6765.1 Ų65.141%0.40633%0.328SS..EExtended strand (participates in β ladder)trans-116.5117.8174.8-175.60000108.7R92 T93 Y94V83-R92 HydrophobicContact CG1-CG 3.43Å; V83-R92 VanDerWaalsContact CG1-CG 3.43Å; V83-T93 WeakPolarHBondContact CA-O 3.35Å; V83-Y94 HydrophobicContact CG2-CD1 3.57Å; V83-Y94 HydrophobicContact CG2-CE1 3.62Å; V83-Y94 HydrophobicContact CG2-CG 4.2Å
84F98.2Very high97.6Very high29 Ų2967.9 Ų67.913%0.12734%0.338CS..EExtended strand (participates in β ladder)trans-114.9132.8-170.3-61.5-97.7000111.4V81 R92 T93 V95 V135 Y139 A142V81-F84 HydrophobicContact CG1-CE2 4.41Å; V81-F84 HydrophobicContact CG1-CZ 4.28Å; F84-R92 WeakPolarHBondContact O-CA 3.33Å; F84-T93 PolarHBondContact N-O 2.85Å; F84-T93 PolarHBondContact O-N 2.81Å; F84-V95 HydrophobicContact CD2-CB 4.01Å; F84-V95 HydrophobicContact CD2-CG2 3.5Å; F84-V95 HydrophobicContact CE2-CB 3.86Å; F84-V95 HydrophobicContact CE2-CG2 3.86Å; F84-V95 HydrophobicContact CG-CG2 4.49Å; F84-V135 HydrophobicContact CB-CG1 4.44Å; F84-Y139 HydrophobicContact CB-CD1 4.12Å; F84-Y139 HydrophobicContact CB-CE1 3.43Å; F84-Y139 VanDerWaalsContact CB-CE1 3.43Å; F84-Y139 AromaticContact CD1-CD1 3.52Å; F84-Y139 HydrophobicContact CD1-CD1 3.52Å; F84-Y139 AromaticContact CD1-CE1 3.74Å; F84-Y139 HydrophobicContact CD1-CE1 3.74Å; F84-Y139 AromaticContact CD2-CD1 3.65Å; F84-Y139 HydrophobicContact CD2-CD1 3.65Å; F84-Y139 AromaticContact CD2-CE1 3.68Å; F84-Y139 HydrophobicContact CD2-CE1 3.68Å; F84-Y139 AromaticContact CE1-CD1 3.73Å; F84-Y139 HydrophobicContact CE1-CD1 3.73Å; F84-Y139 HydrophobicContact CE1-CE1 4.4Å; F84-Y139 AromaticContact CE2-CD1 3.86Å; F84-Y139 HydrophobicContact CE2-CD1 3.86Å; F84-Y139 HydrophobicContact CE2-CE1 4.35Å; F84-Y139 HydrophobicContact CE2-CG 4.43Å; F84-Y139 AromaticContact CG-CD1 3.48Å; F84-Y139 HydrophobicContact CG-CD1 3.48Å; F84-Y139 VanDerWaalsContact CG-CD1 3.48Å; F84-Y139 AromaticContact CG-CE1 3.33Å; F84-Y139 HydrophobicContact CG-CE1 3.33Å; F84-Y139 AromaticContact CZ-CD1 3.89Å; F84-Y139 HydrophobicContact CZ-CD1 3.89Å; F84-A142 HydrophobicContact CE1-CB 3.98Å; F84-A142 HydrophobicContact CZ-CB 3.66Å
85E98.1Very high97.6Very high78 Ų7863.6 Ų63.636%0.36432%0.32SS..EExtended strand (participates in β ladder)trans-103.4128.7179.8-66.2-173.5173.400111.6Y17 H91 R92Y17-E85 HydrophobicContact CE1-CB 4.37Å; E85-H91 CarbonylContact C-O 3.44Å; E85-H91 WeakPolarHBondContact CA-O 3.43Å; E85-R92 HydrophobicContact CG-CG 4.24Å; E85-R92 IonicContact OE1-CZ 3.57Å; E85-R92 VanDerWaalsContact OE1-CZ 3.24Å; E85-R92 IonicContact OE1-NE 3.52Å; E85-R92 PolarHBondContact OE1-NE 2.72Å; E85-R92 IonicContact OE1-NH2 2.82Å; E85-R92 PolarHBondContact OE1-NH2 2.92Å
86N97.1Very high97.6Very high37 Ų3763.8 Ų63.820%0.19831%0.312CS..EExtended strand (participates in β ladder)trans-101.999.6162.7-172.4-46.2000108.4E88 R89 K90 H91 V135N86-E88 PolarHBondContact O-N 3.45Å; N86-E88 PolarHBondContact OD1-N 2.89Å; N86-R89 HydrophobicContact CB-CB 4.31Å; N86-R89 PolarHBondContact O-N 2.96Å; N86-R89 WeakPolarHBondContact OD1-CB 3.3Å; N86-R89 WeakPolarHBondContact OD1-CG 3.48Å; N86-R89 PolarHBondContact OD1-N 3.22Å; N86-K90 WeakPolarHBondContact O-CA 3.09Å; N86-K90 PolarHBondContact O-N 2.81Å; N86-H91 HydrophobicContact CB-CB 4.32Å; N86-H91 PolarHBondContact N-O 3.47Å; N86-H91 PolarHBondContact O-N 3.38Å; N86-V135 HydrophobicContact CB-CG1 4.4Å; N86-V135 HydrophobicContact CB-CG2 4.32Å
87K95.6Very high97.7Very high153 Ų15359.4 Ų59.467%0.66529%0.285SS*.THydrogen-bonded Turntrans-64.9-37.4-176.7-63.7-176.3179.9177.10112.9K90K87-K90 PolarHBondContact O-N 2.84Å
88E94.9Very high97.7Very high171 Ų17156.8 Ų56.880%0.79927%0.272SS*.THydrogen-bonded Turntrans-64.7-42.3178.9-171.2-162.6154.700111.4N86N86-E88 PolarHBondContact O-N 3.45Å; N86-E88 PolarHBondContact OD1-N 2.89Å
89R94.9Very high97.7Very high127 Ų12756.3 Ų56.348%0.47926%0.26SS..THydrogen-bonded Turntrans-91.8-5.7-178.8-56.6-61.6-62.8178.92.9113.4N86 H91N86-R89 HydrophobicContact CB-CB 4.31Å; N86-R89 PolarHBondContact O-N 2.96Å; N86-R89 WeakPolarHBondContact OD1-CB 3.3Å; N86-R89 WeakPolarHBondContact OD1-CG 3.48Å; N86-R89 PolarHBondContact OD1-N 3.22Å; R89-H91 VanDerWaalsContact C-N 3.35Å; R89-H91 PolarHBondContact O-CD2 2.93Å; R89-H91 PolarHBondContact O-N 3.09Å; R89-H91 PolarHBondContact O-NE2 3.34Å
90K97.6Very high97.8Very high106 Ų10652.7 Ų52.746%0.46125%0.248SC..THydrogen-bonded Turntrans49.952.3-171.7-69.7-76.3-174.8174.50112Y17 K18 N86 K87Y17-K90 CarbonylContact C-O 3.54Å; Y17-K90 WeakPolarHBondContact CA-O 3.35Å; Y17-K90 VanDerWaalsContact CD1-C 3.5Å; Y17-K90 HydrophobicContact CD1-CB 4.5Å; Y17-K90 HydrophobicContact CD1-CD 4.41Å; Y17-K90 HydrophobicContact CD2-CD 4.18Å; Y17-K90 HydrophobicContact CE1-CD 4.04Å; Y17-K90 HydrophobicContact CE2-CD 3.83Å; Y17-K90 HydrophobicContact CG-CD 4.47Å; K18-K90 PolarHBondContact N-O 2.84Å; N86-K90 WeakPolarHBondContact O-CA 3.09Å; N86-K90 PolarHBondContact O-N 2.81Å; K87-K90 PolarHBondContact O-N 2.84Å
91H98.1Very high97.9Very high33 Ų3353.7 Ų53.715%0.15326%0.258CS..EExtended strand (participates in β ladder)trans-115.6140.8175.1-61.3164.7000110.8K18 R20 E85 N86 R89K18-H91 WeakPolarHBondContact O-CA 3.04Å; R20-H91 PolarHBondContact NH1-ND1 2.86Å; E85-H91 CarbonylContact C-O 3.44Å; E85-H91 WeakPolarHBondContact CA-O 3.43Å; N86-H91 HydrophobicContact CB-CB 4.32Å; N86-H91 PolarHBondContact N-O 3.47Å; N86-H91 PolarHBondContact O-N 3.38Å; R89-H91 VanDerWaalsContact C-N 3.35Å; R89-H91 PolarHBondContact O-CD2 2.93Å; R89-H91 PolarHBondContact O-N 3.09Å; R89-H91 PolarHBondContact O-NE2 3.34Å
92R98.5Very high97.9Very high38 Ų3856.5 Ų56.514%0.14327%0.27CS..EExtended strand (participates in β ladder)trans-120.2118.6169.3-174.3174.2-69.1129.6-5.9108.2D13 D15 Y17 K18 R20 V83 F84 E85D13-R92 VanDerWaalsContact CG-NH1 3.29Å; D13-R92 WeakPolarHBondContact OD2-CD 3.43Å; D13-R92 IonicContact OD2-CZ 3.64Å; D13-R92 IonicContact OD2-NE 3.38Å; D13-R92 IonicContact OD2-NH1 3.66Å; D13-R92 PolarHBondContact OD2-NH1 2.71Å; D15-R92 IonicContact OD1-CZ 3.52Å; D15-R92 IonicContact OD1-NH1 3.86Å; D15-R92 PolarHBondContact OD1-NH1 3.26Å; D15-R92 IonicContact OD1-NH2 2.71Å; D15-R92 IonicContact OD2-CZ 3.35Å; D15-R92 IonicContact OD2-NH1 2.72Å; D15-R92 PolarHBondContact OD2-NH1 3.19Å; D15-R92 IonicContact OD2-NH2 2.77Å; D15-R92 PolarHBondContact OD2-NH2 3.26Å; Y17-R92 HydrophobicContact CD1-CB 4.43Å; K18-R92 PolarHBondContact O-N 3.42Å; R20-R92 PolarHBondContact N-O 3.38Å; V83-R92 HydrophobicContact CG1-CG 3.43Å; V83-R92 VanDerWaalsContact CG1-CG 3.43Å; F84-R92 WeakPolarHBondContact O-CA 3.33Å; E85-R92 HydrophobicContact CG-CG 4.24Å; E85-R92 IonicContact OE1-CZ 3.57Å; E85-R92 VanDerWaalsContact OE1-CZ 3.24Å; E85-R92 IonicContact OE1-NE 3.52Å; E85-R92 PolarHBondContact OE1-NE 2.72Å; E85-R92 IonicContact OE1-NH2 2.82Å; E85-R92 PolarHBondContact OE1-NH2 2.92Å
93T98.8Very high98Very high9 Ų959.2 Ų59.26%0.05528%0.282CS..EExtended strand (participates in β ladder)trans-119119.7-168.7-46.70000110.8R20 A22 V83 F84 V95R20-T93 HydrophobicContact CB-CG2 3.93Å; R20-T93 CarbonylContact O-C 3.57Å; R20-T93 VanDerWaalsContact O-CA 3.31Å; R20-T93 WeakPolarHBondContact O-CA 3.28Å; A22-T93 HydrophobicContact CB-CG2 3.92Å; V83-T93 WeakPolarHBondContact CA-O 3.35Å; F84-T93 PolarHBondContact N-O 2.85Å; F84-T93 PolarHBondContact O-N 2.81Å; T93-V95 HydrophobicContact CG2-CG2 4.1Å
94Y98.8Very high98Very high58 Ų5858.1 Ų58.123%0.22727%0.274CS..EExtended strand (participates in β ladder)trans-77.7126.5167-65.6-102.6000108.7R20 A21 A22 M53 P59 L80 V83R20-Y94 PolarHBondContact O-N 2.95Å; A21-Y94 CarbonylContact C-O 3.6Å; A21-Y94 VanDerWaalsContact CA-O 3.29Å; A21-Y94 WeakPolarHBondContact CA-O 3.31Å; A22-Y94 PolarHBondContact N-O 2.94Å; M53-Y94 HydrophobicContact SD-CD2 4.04Å; M53-Y94 HydrophobicContact SD-CE2 4.22Å; P59-Y94 HydrophobicContact CB-CD1 3.83Å; P59-Y94 HydrophobicContact CB-CD2 3.92Å; P59-Y94 HydrophobicContact CB-CE1 4.38Å; P59-Y94 HydrophobicContact CB-CE2 4.47Å; P59-Y94 HydrophobicContact CB-CG 3.58Å; P59-Y94 HydrophobicContact CG-CD1 3.97Å; P59-Y94 HydrophobicContact CG-CD2 4.14Å; P59-Y94 HydrophobicContact CG-CE1 4.01Å; P59-Y94 HydrophobicContact CG-CE2 4.2Å; P59-Y94 HydrophobicContact CG-CG 4.05Å; L80-Y94 HydrophobicContact CD1-CD1 4.3Å; V83-Y94 HydrophobicContact CG2-CD1 3.57Å; V83-Y94 HydrophobicContact CG2-CE1 3.62Å; V83-Y94 HydrophobicContact CG2-CG 4.2Å
95V98.8Very high97.9Very high0 Ų065 Ų650%031%0.306CS..EExtended strand (participates in β ladder)trans-118.9122-177-178.50000109.2A22 L24 L80 V81 G82 F84 T93 Y139A22-V95 HydrophobicContact CB-CG2 4.46Å; A22-V95 WeakPolarHBondContact O-CA 3.36Å; L24-V95 HydrophobicContact CD2-CG1 4.33Å; L24-V95 HydrophobicContact CG-CG1 3.97Å; L80-V95 WeakPolarHBondContact CD1-O 3.3Å; V81-V95 HydrophobicContact CB-CB 4.45Å; V81-V95 HydrophobicContact CB-CG1 4.29Å; V81-V95 WeakPolarHBondContact CB-O 3.17Å; V81-V95 HydrophobicContact CG2-CG1 4.43Å; V81-V95 PolarHBondContact N-O 3.49Å; G82-V95 PolarHBondContact N-O 3.05Å; G82-V95 PolarHBondContact O-N 2.91Å; F84-V95 HydrophobicContact CD2-CB 4.01Å; F84-V95 HydrophobicContact CD2-CG2 3.5Å; F84-V95 HydrophobicContact CE2-CB 3.86Å; F84-V95 HydrophobicContact CE2-CG2 3.86Å; F84-V95 HydrophobicContact CG-CG2 4.49Å; T93-V95 HydrophobicContact CG2-CG2 4.1Å; V95-Y139 HydrophobicContact CB-CD2 4.47Å; V95-Y139 HydrophobicContact CG1-CD2 3.89Å; V95-Y139 HydrophobicContact CG1-CE2 4.38Å; V95-Y139 HydrophobicContact CG1-CG 4.18Å; V95-Y139 HydrophobicContact CG2-CD1 4.11Å; V95-Y139 HydrophobicContact CG2-CD2 3.76Å; V95-Y139 HydrophobicContact CG2-CE1 3.92Å; V95-Y139 HydrophobicContact CG2-CE2 3.51Å; V95-Y139 HydrophobicContact CG2-CG 4.05Å
96Y98.7Very high97.8Very high32 Ų3267.2 Ų67.213%0.12532%0.321CS..EExtended strand (participates in β ladder)trans-110.9159.8179.1-69-94.2000111.6A22 C23 L24 P59 N60 A63 L77 R79 L80A22-Y96 PolarHBondContact O-N 2.91Å; C23-Y96 CarbonylContact C-O 3.47Å; C23-Y96 WeakPolarHBondContact CA-O 3.49Å; L24-Y96 PolarHBondContact N-O 3.09Å; P59-Y96 HydrophobicContact CB-CE2 4.15Å; N60-Y96 HydrophobicContact CB-CE1 4.19Å; N60-Y96 HydrophobicContact CB-CE2 4.36Å; A63-Y96 HydrophobicContact CB-CD2 3.87Å; A63-Y96 HydrophobicContact CB-CE2 4.49Å; L77-Y96 HydrophobicContact CD1-CG 4.36Å; L77-Y96 HydrophobicContact CD2-CD1 4.48Å; R79-Y96 WeakPolarHBondContact O-CA 3.19Å; L80-Y96 HydrophobicContact CB-CD1 4.07Å; L80-Y96 HydrophobicContact CB-CE1 3.77Å; L80-Y96 HydrophobicContact CD1-CD1 4.22Å; L80-Y96 HydrophobicContact CD1-CD2 4.19Å; L80-Y96 HydrophobicContact CD1-CE1 3.85Å; L80-Y96 HydrophobicContact CD1-CE2 3.81Å; L80-Y96 HydrophobicContact CD1-CG 4.38Å; L80-Y96 HydrophobicContact CG-CE1 4.4Å
97V98.6Very high97.9Very high2 Ų266.7 Ų66.71%0.01232%0.316CS..EExtended strand (participates in β ladder)trans-81.1140.8160.9172.70000109.3F26 G78 R79 V81 I99 L143F26-V97 HydrophobicContact CD2-CG1 3.76Å; F26-V97 HydrophobicContact CE2-CG1 3.98Å; F26-V97 HydrophobicContact CE2-CG2 4.06Å; G78-V97 PolarHBondContact N-O 2.8Å; R79-V97 HydrophobicContact CG-CB 4.46Å; R79-V97 HydrophobicContact CG-CG2 4.04Å; R79-V97 PolarHBondContact O-N 2.71Å; V81-V97 HydrophobicContact CG2-CG2 3.63Å; V97-I99 HydrophobicContact CG1-CD1 3.86Å; V97-L143 HydrophobicContact CG2-CD1 3.86Å
98L98.8Very high97.9Very high4 Ų463.5 Ų63.52%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-134122.2167.8-177.9148.1000109.1C23 L24 C25 F26 V67 L77 V100C23-L98 HydrophobicContact CB-CB 3.85Å; L24-L98 PolarHBondContact O-N 3.46Å; C25-L98 CarbonylContact C-O 3.59Å; C25-L98 VanDerWaalsContact CA-O 3.32Å; C25-L98 WeakPolarHBondContact CA-O 3.14Å; C25-L98 HydrophobicContact CB-CD2 4.43Å; F26-L98 PolarHBondContact N-O 3.12Å; V67-L98 HydrophobicContact CG1-CD1 4.49Å; L77-L98 HydrophobicContact CD1-CB 4.37Å; L77-L98 HydrophobicContact CD1-CD1 4.27Å; L98-V100 HydrophobicContact CD2-CB 4.45Å; L98-V100 HydrophobicContact CD2-CG2 3.64Å
99I98.8Very high97.9Very high27 Ų2755.4 Ų55.414%0.13827%0.266CS..EExtended strand (participates in β ladder)trans-88.8112.9173.3-52.3-52.9000107.8F26 E29 G75 T76 V97 T101F26-I99 HydrophobicContact CB-CD1 4.06Å; F26-I99 HydrophobicContact CD2-CD1 4.31Å; E29-I99 HydrophobicContact CG-CG1 4.4Å; E29-I99 HydrophobicContact CG-CG2 4.19Å; G75-I99 CarbonylContact C-O 3.55Å; G75-I99 WeakPolarHBondContact CA-O 3.44Å; T76-I99 PolarHBondContact N-O 3.47Å; T76-I99 PolarHBondContact O-N 2.77Å; V97-I99 HydrophobicContact CG1-CD1 3.86Å; I99-T101 PolarHBondContact O-N 2.89Å
100V98.8Very high98Very high17 Ų1751 Ų5110%0.10326%0.255CS..EExtended strand (participates in β ladder)trans-69.6126.7-174.1175.60000110.1C25 F26 V73 L98 V103 W119C25-V100 HydrophobicContact CB-CG2 3.88Å; F26-V100 WeakPolarHBondContact O-CB 3.49Å; F26-V100 WeakPolarHBondContact O-CG2 3.49Å; F26-V100 PolarHBondContact O-N 3.1Å; V73-V100 HydrophobicContact CB-CG1 3.97Å; V73-V100 HydrophobicContact CB-CG2 4.17Å; V73-V100 HydrophobicContact CG1-CG1 4.11Å; V73-V100 HydrophobicContact CG2-CG2 3.99Å; L98-V100 HydrophobicContact CD2-CB 4.45Å; L98-V100 HydrophobicContact CD2-CG2 3.64Å; V100-V103 HydrophobicContact CG1-CG2 3.7Å; V100-W119 HydrophobicContact CB-CH2 4.03Å; V100-W119 HydrophobicContact CG1-CH2 4.39Å; V100-W119 HydrophobicContact CG1-CZ2 4.46Å; V100-W119 HydrophobicContact CG2-CH2 3.81Å
101T98.7Very high98Very high103 Ų10350.7 Ų50.763%0.63226%0.261SS*.EExtended strand (participates in β ladder)trans-117.1-21.6176.860.30000112.6K74 G75 I99K74-T101 PolarHBondContact O-N 2.89Å; G75-T101 WeakPolarHBondContact CA-OG1 3.29Å; I99-T101 PolarHBondContact O-N 2.89Å
102E98.7Very high97.8Very high78 Ų7854.1 Ų54.136%0.36428%0.281SS..EExtended strand (participates in β ladder)trans-138.2133-179.2-174.3-173.4148.600109.6V73 K74 L104V73-E102 VanDerWaalsContact CA-O 3.3Å; V73-E102 WeakPolarHBondContact CA-O 3.4Å; K74-E102 HydrophobicContact CB-CB 4.21Å; K74-E102 PolarHBondContact N-O 2.96Å; K74-E102 IonicContact NZ-OE1 2.93Å; K74-E102 PolarHBondContact NZ-OE1 2.8Å; K74-E102 IonicContact NZ-OE2 3.32Å; K74-E102 PolarHBondContact NZ-OE2 3.47Å; K74-E102 PolarHBondContact O-N 2.98Å; K74-E102 VanDerWaalsContact O-N 3.12Å; E102-L104 HydrophobicContact CG-CD2 4.38Å; E102-L104 WeakPolarHBondContact OE1-CD2 3.39Å
103V98.8Very high97.7Very high74 Ų7454.4 Ų54.445%0.44829%0.285SS..EExtended strand (participates in β ladder)trans-121.2112.4177-178.80000107.9V73 V100 R117V73-V103 HydrophobicContact CG1-CB 4.48Å; V73-V103 HydrophobicContact CG1-CG1 4.34Å; V73-V103 HydrophobicContact CG1-CG2 4.09Å; V100-V103 HydrophobicContact CG1-CG2 3.7Å; V103-R117 VanDerWaalsContact CG1-CZ 3.41Å
104L98.5Very high97.6Very high44 Ų4456.4 Ų56.423%0.2331%0.307CS..  trans-78.1132.6179.5-58.2175.8000110.2G72 E102 R117G72-L104 VanDerWaalsContact O-CB 3.29Å; G72-L104 WeakPolarHBondContact O-CB 3.24Å; G72-L104 WeakPolarHBondContact O-CG 3.05Å; G72-L104 PolarHBondContact O-N 2.96Å; E102-L104 HydrophobicContact CG-CD2 4.38Å; E102-L104 WeakPolarHBondContact OE1-CD2 3.39Å; L104-R117 VanDerWaalsContact O-CZ 3.25Å; L104-R117 PolarHBondContact O-NH1 2.88Å; L104-R117 PolarHBondContact O-NH2 3.05Å
105E96.6Very high97.5Very high174 Ų17454 Ų5481%0.81330%0.297SS*.SBendtrans-59.4-56.6175.1-71.9-82.8143.100111.2W107E105-W107 WeakPolarHBondContact O-CZ3 3.34Å
106D96.3Very high97.5Very high125 Ų12560.3 Ų60.367%0.66833%0.325SS*.SBendtrans-108.1133.7175.4-65.5-58.3000110.2V111D106-V111 HydrophobicContact CB-CG2 4.2Å
107W97.9Very high97.5Very high25 Ų2561.5 Ų61.510%0.09533%0.329CS..  trans-141.7164.417872.899.1000111.3E69 E70 G72 E105 D109 S110 V111 R115 R117E69-W107 VanDerWaalsContact O-CD1 3.31Å; E70-W107 PolarHBondContact O-NE1 2.89Å; G72-W107 VanDerWaalsContact CA-CG 3.46Å; E105-W107 WeakPolarHBondContact O-CZ3 3.34Å; W107-D109 PolarHBondContact O-N 2.95Å; W107-S110 VanDerWaalsContact CE2-CB 3.43Å; W107-S110 VanDerWaalsContact CE3-CB 3.49Å; W107-S110 WeakPolarHBondContact O-CB 3.14Å; W107-S110 PolarHBondContact O-N 3.12Å; W107-V111 WeakPolarHBondContact O-CG2 3.49Å; W107-V111 PolarHBondContact O-N 2.93Å; W107-R115 WeakPolarHBondContact CZ2-O 3.37Å; W107-R117 HydrophobicContact CH2-CG 3.95Å; W107-R117 HydrophobicContact CZ2-CB 4.35Å; W107-R117 HydrophobicContact CZ2-CG 4.16Å
108E95.7Very high97.5Very high87 Ų8766.3 Ų66.341%0.40735%0.351SS..Hα-helixtrans-49.6-55.2-169.3-173.4-178.5127.100113S110 V111 N112E108-S110 PolarHBondContact O-N 3.38Å; E108-V111 PolarHBondContact O-N 3.42Å; E108-N112 WeakPolarHBondContact CG-ND2 3.24Å; E108-N112 WeakPolarHBondContact O-CB 3.47Å; E108-N112 VanDerWaalsContact O-CG 3.23Å; E108-N112 PolarHBondContact O-N 2.95Å; E108-N112 PolarHBondContact O-ND2 2.86Å
109D96.8Very high97.5Very high1 Ų169.1 Ų69.11%0.00536%0.362CS..Hα-helixtrans-73.2-26.1-177.9-86.611000114K3 E69 W107 I113 G114 R115K3-D109 WeakPolarHBondContact CD-OD2 3.29Å; K3-D109 WeakPolarHBondContact CE-OD1 3.48Å; K3-D109 WeakPolarHBondContact CE-OD2 3.05Å; K3-D109 IonicContact NZ-OD1 3.77Å; K3-D109 PolarHBondContact NZ-OD1 3.47Å; K3-D109 IonicContact NZ-OD2 3.46Å; K3-D109 PolarHBondContact NZ-OD2 2.77Å; E69-D109 WeakPolarHBondContact O-CB 3.47Å; E69-D109 PolarHBondContact O-N 3.43Å; W107-D109 PolarHBondContact O-N 2.95Å; D109-I113 HydrophobicContact CB-CD1 4.27Å; D109-I113 HydrophobicContact CB-CG1 4.11Å; D109-I113 CarbonylContact O-C 3.5Å; D109-I113 WeakPolarHBondContact O-CG1 3.46Å; D109-I113 PolarHBondContact O-N 3.05Å; D109-I113 VanDerWaalsContact O-N 3.15Å; D109-G114 PolarHBondContact O-N 3.21Å; D109-R115 HydrophobicContact CB-CB 3.69Å; D109-R115 HydrophobicContact CB-CG 4.33Å; D109-R115 WeakPolarHBondContact O-CB 3.28Å; D109-R115 PolarHBondContact O-N 3.37Å; D109-R115 WeakPolarHBondContact OD2-CD 3.22Å; D109-R115 IonicContact OD2-CZ 3.51Å; D109-R115 IonicContact OD2-NE 3.24Å; D109-R115 PolarHBondContact OD2-NE 2.95Å; D109-R115 IonicContact OD2-NH2 2.72Å; D109-R115 PolarHBondContact OD2-NH2 3.12Å
110S96.8Very high97.5Very high35 Ų3568.8 Ų68.825%0.24536%0.359CS..Hα-helixtrans-63.9-50.8171.4178.70000110W107 E108 G114W107-S110 VanDerWaalsContact CE2-CB 3.43Å; W107-S110 VanDerWaalsContact CE3-CB 3.49Å; W107-S110 WeakPolarHBondContact O-CB 3.14Å; W107-S110 PolarHBondContact O-N 3.12Å; E108-S110 PolarHBondContact O-N 3.38Å; S110-G114 WeakPolarHBondContact O-CA 3.46Å; S110-G114 PolarHBondContact O-N 2.86Å
111V96.4Very high97.4Very high98 Ų9874.3 Ų74.359%0.59438%0.382SS*.Hα-helixtrans-68.7-44.7-176.9176.70000111.5D106 W107 E108D106-V111 HydrophobicContact CB-CG2 4.2Å; W107-V111 WeakPolarHBondContact O-CG2 3.49Å; W107-V111 PolarHBondContact O-N 2.93Å; E108-V111 PolarHBondContact O-N 3.42Å
112N95.2Very high97.4Very high106 Ų10670.5 Ų70.557%0.56736%0.357SS*.Hα-helixtrans-80.9-34.5-170.8-69.8-24.2000113.6E108E108-N112 WeakPolarHBondContact CG-ND2 3.24Å; E108-N112 WeakPolarHBondContact O-CB 3.47Å; E108-N112 VanDerWaalsContact O-CG 3.23Å; E108-N112 PolarHBondContact O-N 2.95Å; E108-N112 PolarHBondContact O-ND2 2.86Å
113I94.9Very high97.3Very high44 Ų4472.3 Ų72.323%0.22637%0.37CS..Hα-helixtrans-134.33.9-172.965.6169.1000114.1K3 D109 R115K3-I113 HydrophobicContact CB-CD1 4.04Å; K3-I113 HydrophobicContact CD-CD1 4.15Å; K3-I113 HydrophobicContact CG-CD1 4.26Å; D109-I113 HydrophobicContact CB-CD1 4.27Å; D109-I113 HydrophobicContact CB-CG1 4.11Å; D109-I113 CarbonylContact O-C 3.5Å; D109-I113 WeakPolarHBondContact O-CG1 3.46Å; D109-I113 PolarHBondContact O-N 3.05Å; D109-I113 VanDerWaalsContact O-N 3.15Å; I113-R115 VanDerWaalsContact C-N 3.3Å; I113-R115 HydrophobicContact CD1-CB 4.28Å; I113-R115 HydrophobicContact CG1-CB 4.08Å; I113-R115 PolarHBondContact O-N 2.98Å
114G96.2Very high97.2Very high50 Ų5072.2 Ų72.252%0.51537%0.367SS..  trans67.829.4-17900000113.2D109 S110 K116D109-G114 PolarHBondContact O-N 3.21Å; S110-G114 WeakPolarHBondContact O-CA 3.46Å; S110-G114 PolarHBondContact O-N 2.86Å; G114-K116 PolarHBondContact O-N 2.94Å
115R97.6Very high97.2Very high7 Ų770.1 Ų70.13%0.02636%0.356CS..  trans-65.9131.3179.4-173.3177.2-72-125.630.3109.9V37 S38 E70 W107 D109 I113V37-R115 HydrophobicContact CB-CG 4.22Å; S38-R115 PolarHBondContact O-NH1 2.88Å; S38-R115 WeakPolarHBondContact OG-CG 3.5Å; E70-R115 WeakPolarHBondContact O-CD 3.26Å; E70-R115 IonicContact OE1-CZ 3.68Å; E70-R115 IonicContact OE1-NH2 3.99Å; E70-R115 PolarHBondContact OE1-NH2 2.97Å; E70-R115 IonicContact OE2-CZ 4Å; E70-R115 VanDerWaalsContact OE2-CZ 3.23Å; E70-R115 IonicContact OE2-NH1 3.65Å; E70-R115 PolarHBondContact OE2-NH1 3.44Å; E70-R115 IonicContact OE2-NH2 3.76Å; E70-R115 PolarHBondContact OE2-NH2 2.84Å; W107-R115 WeakPolarHBondContact CZ2-O 3.37Å; D109-R115 HydrophobicContact CB-CB 3.69Å; D109-R115 HydrophobicContact CB-CG 4.33Å; D109-R115 WeakPolarHBondContact O-CB 3.28Å; D109-R115 PolarHBondContact O-N 3.37Å; D109-R115 WeakPolarHBondContact OD2-CD 3.22Å; D109-R115 IonicContact OD2-CZ 3.51Å; D109-R115 IonicContact OD2-NE 3.24Å; D109-R115 PolarHBondContact OD2-NE 2.95Å; D109-R115 IonicContact OD2-NH2 2.72Å; D109-R115 PolarHBondContact OD2-NH2 3.12Å; I113-R115 VanDerWaalsContact C-N 3.3Å; I113-R115 HydrophobicContact CD1-CB 4.28Å; I113-R115 HydrophobicContact CG1-CB 4.08Å; I113-R115 PolarHBondContact O-N 2.98Å
116K98.3Very high97.2Very high134 Ų13463.5 Ų63.558%0.58333%0.325SS*.  trans-93.3157.7173.5-54.7179.8-177.6-1790111.3V37 S38 W46 G114V37-K116 CarbonylContact C-O 3.48Å; V37-K116 VanDerWaalsContact CA-O 3.28Å; V37-K116 WeakPolarHBondContact CA-O 3.3Å; S38-K116 PolarHBondContact N-O 2.84Å; S38-K116 PolarHBondContact OG-N 3.35Å; S38-K116 PolarHBondContact OG-O 2.77Å; W46-K116 HydrophobicContact CH2-CB 4.28Å; G114-K116 PolarHBondContact O-N 2.94Å
117R98.5Very high97.3Very high57 Ų5764.4 Ų64.422%0.21533%0.325CS..EExtended strand (participates in β ladder)trans-134.9147.317170.9-170.6177.6-162.2-12109.8L35 L36 V37 A71 G72 V103 L104 W107L35-R117 HydrophobicContact CD1-CB 4.11Å; L35-R117 HydrophobicContact CD1-CG 4.2Å; L35-R117 HydrophobicContact CD2-CB 4.41Å; L35-R117 HydrophobicContact CG-CB 4.29Å; L36-R117 CarbonylContact O-C 3.46Å; L36-R117 VanDerWaalsContact O-CA 3.22Å; L36-R117 WeakPolarHBondContact O-CA 3.49Å; V37-R117 HydrophobicContact CG1-CB 4.01Å; A71-R117 WeakPolarHBondContact O-CD 3.12Å; A71-R117 PolarHBondContact O-NH1 2.83Å; G72-R117 PolarHBondContact O-NH1 2.75Å; V103-R117 VanDerWaalsContact CG1-CZ 3.41Å; L104-R117 VanDerWaalsContact O-CZ 3.25Å; L104-R117 PolarHBondContact O-NH1 2.88Å; L104-R117 PolarHBondContact O-NH2 3.05Å; W107-R117 HydrophobicContact CH2-CG 3.95Å; W107-R117 HydrophobicContact CZ2-CB 4.35Å; W107-R117 HydrophobicContact CZ2-CG 4.16Å
118E98.7Very high97.2Very high103 Ų10365.6 Ų65.648%0.48134%0.336SS..EExtended strand (participates in β ladder)trans-152.2147.9179.2-173.1168.9140.100110.4L36 W46 F120L36-E118 PolarHBondContact N-O 3.04Å; L36-E118 PolarHBondContact O-N 2.79Å; W46-E118 HydrophobicContact CH2-CB 3.5Å; W46-E118 HydrophobicContact CZ2-CB 4.06Å; W46-E118 HydrophobicContact CZ3-CB 3.89Å; E118-F120 HydrophobicContact CB-CD2 4.48Å; E118-F120 HydrophobicContact CB-CE2 3.69Å; E118-F120 HydrophobicContact CB-CZ 4.19Å; E118-F120 HydrophobicContact CG-CE2 4.01Å; E118-F120 HydrophobicContact CG-CZ 4.21Å; E118-F120 VanDerWaalsContact O-CD2 3.3Å; E118-F120 WeakPolarHBondContact O-CD2 3.48Å
119W98.8Very high97.3Very high62 Ų6261.5 Ų61.524%0.23532%0.317CS..EExtended strand (participates in β ladder)trans-86.7133.5177.4-68.6103000109.9C25 R27 E33 V34 L35 V100C25-W119 WeakPolarHBondContact O-CZ3 3.34Å; R27-W119 HydrophobicContact CB-CD2 4.46Å; R27-W119 HydrophobicContact CB-CE3 3.95Å; R27-W119 HydrophobicContact CB-CH2 3.8Å; R27-W119 HydrophobicContact CB-CZ2 4.31Å; R27-W119 HydrophobicContact CB-CZ3 3.61Å; R27-W119 HydrophobicContact CG-CH2 4.34Å; R27-W119 HydrophobicContact CG-CZ2 4.39Å; R27-W119 HydrophobicContact CG-CZ3 4.5Å; R27-W119 VanDerWaalsContact NH2-CB 3.29Å; E33-W119 HydrophobicContact CB-CE3 4.42Å; V34-W119 WeakPolarHBondContact O-CA 3.36Å; L35-W119 HydrophobicContact CB-CD2 4.24Å; L35-W119 HydrophobicContact CB-CE3 3.8Å; L35-W119 HydrophobicContact CB-CH2 3.96Å; L35-W119 HydrophobicContact CB-CZ2 4.38Å; L35-W119 HydrophobicContact CB-CZ3 3.64Å; L35-W119 HydrophobicContact CD1-CD2 3.7Å; L35-W119 HydrophobicContact CD1-CE3 4.16Å; L35-W119 HydrophobicContact CD1-CG 3.98Å; L35-W119 HydrophobicContact CD1-CZ2 4.13Å; V100-W119 HydrophobicContact CB-CH2 4.03Å; V100-W119 HydrophobicContact CG1-CH2 4.39Å; V100-W119 HydrophobicContact CG1-CZ2 4.46Å; V100-W119 HydrophobicContact CG2-CH2 3.81Å
120F98.7Very high97.2Very high20 Ų2066.2 Ų66.29%0.08834%0.339CS..EExtended strand (participates in β ladder)trans-125.8144.5179.5-70.3-93.3000109.8E33 V34 L36 W46 E118 D124 A125 V128E33-F120 CarbonylContact C-O 3.59Å; E33-F120 VanDerWaalsContact CA-O 3.24Å; E33-F120 WeakPolarHBondContact CA-O 3.16Å; V34-F120 HydrophobicContact CG1-CB 4.39Å; V34-F120 PolarHBondContact N-O 3.24Å; V34-F120 PolarHBondContact O-N 2.95Å; L36-F120 HydrophobicContact CB-CD2 3.82Å; L36-F120 HydrophobicContact CB-CE2 3.86Å; L36-F120 HydrophobicContact CD1-CD2 3.78Å; L36-F120 HydrophobicContact CD1-CE2 4.1Å; L36-F120 HydrophobicContact CD1-CG 4.16Å; L36-F120 HydrophobicContact CG-CD2 3.75Å; L36-F120 HydrophobicContact CG-CE2 4.23Å; L36-F120 HydrophobicContact CG-CG 4.45Å; W46-F120 AromaticContact CD1-CZ 3.84Å; W46-F120 AromaticContact CD2-CE2 3.92Å; W46-F120 HydrophobicContact CD2-CE2 3.92Å; W46-F120 AromaticContact CD2-CZ 3.8Å; W46-F120 HydrophobicContact CD2-CZ 3.8Å; W46-F120 AromaticContact CE2-CZ 3.63Å; W46-F120 HydrophobicContact CE3-CE2 4.09Å; W46-F120 HydrophobicContact CE3-CZ 4.4Å; W46-F120 HydrophobicContact CG-CE2 4.25Å; W46-F120 AromaticContact CG-CZ 3.95Å; W46-F120 HydrophobicContact CG-CZ 3.95Å; W46-F120 HydrophobicContact CZ2-CE2 4.49Å; W46-F120 HydrophobicContact CZ2-CZ 4.11Å; W46-F120 HydrophobicContact CZ3-CE2 4.46Å; W46-F120 AromaticContact NE1-CZ 3.64Å; E118-F120 HydrophobicContact CB-CD2 4.48Å; E118-F120 HydrophobicContact CB-CE2 3.69Å; E118-F120 HydrophobicContact CB-CZ 4.19Å; E118-F120 HydrophobicContact CG-CE2 4.01Å; E118-F120 HydrophobicContact CG-CZ 4.21Å; E118-F120 VanDerWaalsContact O-CD2 3.3Å; E118-F120 WeakPolarHBondContact O-CD2 3.48Å; F120-D124 HydrophobicContact CD1-CB 4.17Å; F120-A125 HydrophobicContact CB-CB 3.85Å; F120-V128 HydrophobicContact CE1-CG1 4.37Å; F120-V128 HydrophobicContact CE1-CG2 4.42Å
121K98.3Very high96.7Very high134 Ų13468.9 Ų68.958%0.58336%0.356SS*.EExtended strand (participates in β ladder)trans-63.1155.4158.6-65-179.6178.3-179.40109.4D123 D124 A125K121-D123 VanDerWaalsContact C-N 3.34Å; K121-D123 PolarHBondContact O-N 3.48Å; K121-D124 HydrophobicContact CB-CB 4.5Å; K121-D124 PolarHBondContact O-N 2.91Å; K121-A125 WeakPolarHBondContact O-CB 3.22Å; K121-A125 PolarHBondContact O-N 3.49Å
122I97.5Very high96.4Very high22 Ų2268.1 Ų68.111%0.11335%0.346CS..Hα-helixtrans-56.9-46.3-177.3-53.6-50000112.2F26 E31 E32 V34 D124 A125 I126 F140F26-I122 HydrophobicContact CD1-CD1 4.33Å; F26-I122 HydrophobicContact CE1-CD1 3.64Å; E31-I122 WeakPolarHBondContact O-CD1 3Å; E32-I122 PolarHBondContact O-N 2.81Å; V34-I122 HydrophobicContact CB-CD1 4.17Å; V34-I122 HydrophobicContact CG1-CD1 4.23Å; I122-D124 VanDerWaalsContact C-N 3.35Å; I122-D124 PolarHBondContact O-N 3.19Å; I122-A125 WeakPolarHBondContact O-CB 3.25Å; I122-A125 PolarHBondContact O-N 3.07Å; I122-I126 HydrophobicContact CG2-CD1 3.94Å; I122-I126 WeakPolarHBondContact O-CG1 3.21Å; I122-I126 PolarHBondContact O-N 3.05Å; I122-F140 HydrophobicContact CD1-CD1 4.24Å; I122-F140 HydrophobicContact CD1-CE1 4.22Å; I122-F140 HydrophobicContact CG2-CB 4.15Å; I122-F140 HydrophobicContact CG2-CD1 3.83Å; I122-F140 HydrophobicContact CG2-CG 4.27Å
123D96.6Very high96.4Very high117 Ų11766.3 Ų66.363%0.62633%0.333SS*.Hα-helixtrans-62.8-41.9-179.5-62.9-24.8000112K121 I126 Q127K121-D123 VanDerWaalsContact C-N 3.34Å; K121-D123 PolarHBondContact O-N 3.48Å; D123-I126 PolarHBondContact O-N 3.15Å; D123-Q127 PolarHBondContact O-N 2.99Å
124D97.8Very high96.5Very high72 Ų7267.3 Ų67.339%0.38534%0.342SS..Hα-helixtrans-66.1-41.2177.3-61.3-31.4000110.9F120 K121 I122 Q127 V128F120-D124 HydrophobicContact CD1-CB 4.17Å; K121-D124 HydrophobicContact CB-CB 4.5Å; K121-D124 PolarHBondContact O-N 2.91Å; I122-D124 VanDerWaalsContact C-N 3.35Å; I122-D124 PolarHBondContact O-N 3.19Å; D124-Q127 PolarHBondContact O-N 2.75Å; D124-V128 WeakPolarHBondContact O-CG2 3.34Å; D124-V128 PolarHBondContact O-N 3.39Å
125A98.1Very high96.5Very high0 Ų066.7 Ų66.70%033%0.328CS..Hα-helixtrans-60.3-46.2176.700000111.4V34 L36 F120 K121 I122 Q127 V128 L129 F140V34-A125 HydrophobicContact CG1-CB 3.61Å; L36-A125 HydrophobicContact CD1-CB 4Å; F120-A125 HydrophobicContact CB-CB 3.85Å; K121-A125 WeakPolarHBondContact O-CB 3.22Å; K121-A125 PolarHBondContact O-N 3.49Å; I122-A125 WeakPolarHBondContact O-CB 3.25Å; I122-A125 PolarHBondContact O-N 3.07Å; A125-Q127 VanDerWaalsContact C-N 3.34Å; A125-Q127 PolarHBondContact O-N 2.93Å; A125-V128 VanDerWaalsContact O-CG2 3.31Å; A125-V128 WeakPolarHBondContact O-CG2 3.39Å; A125-V128 PolarHBondContact O-N 2.69Å; A125-L129 WeakPolarHBondContact O-CB 3.18Å; A125-L129 WeakPolarHBondContact O-CD1 3.47Å; A125-L129 WeakPolarHBondContact O-CG 3.36Å; A125-L129 PolarHBondContact O-N 2.99Å; A125-L129 VanDerWaalsContact O-N 3.1Å; A125-F140 HydrophobicContact CB-CZ 4.19Å
126I97.4Very high96.6Very high35 Ų3567.3 Ų67.318%0.17933%0.332CS..Hα-helixtrans-58.4-48.2175.5-69.7165.7000109.8I122 D123 V128 L129 Q130 A137 F140I122-I126 HydrophobicContact CG2-CD1 3.94Å; I122-I126 WeakPolarHBondContact O-CG1 3.21Å; I122-I126 PolarHBondContact O-N 3.05Å; D123-I126 PolarHBondContact O-N 3.15Å; I126-V128 PolarHBondContact O-N 3.1Å; I126-L129 PolarHBondContact O-N 3.09Å; I126-Q130 WeakPolarHBondContact O-CB 2.88Å; I126-Q130 PolarHBondContact O-N 2.95Å; I126-A137 HydrophobicContact CG2-CB 4.39Å; I126-F140 HydrophobicContact CD1-CB 3.77Å; I126-F140 HydrophobicContact CD1-CG 4.49Å; I126-F140 HydrophobicContact CG1-CB 3.72Å; I126-F140 HydrophobicContact CG1-CD2 4.09Å; I126-F140 HydrophobicContact CG1-CG 4.01Å
127Q96.6Very high96.5Very high143 Ų14361 Ų6167%0.66830%0.304SS*.Hα-helixtrans-59.8-47.3-177.7-172.4178.48.200112.5D123 D124 A125 L129D123-Q127 PolarHBondContact O-N 2.99Å; D124-Q127 PolarHBondContact O-N 2.75Å; A125-Q127 VanDerWaalsContact C-N 3.34Å; A125-Q127 PolarHBondContact O-N 2.93Å; Q127-L129 VanDerWaalsContact C-N 3.33Å; Q127-L129 PolarHBondContact O-N 2.82Å
128V97.1Very high96.5Very high51 Ų5160.4 Ų60.431%0.30931%0.307SS..Hα-helixtrans-70.3-30.1-179.1-600000112.5L36 W46 F120 D124 A125 I126L36-V128 HydrophobicContact CD1-CG2 3.78Å; W46-V128 HydrophobicContact CB-CG2 4.02Å; W46-V128 HydrophobicContact CG-CG2 4.43Å; F120-V128 HydrophobicContact CE1-CG1 4.37Å; F120-V128 HydrophobicContact CE1-CG2 4.42Å; D124-V128 WeakPolarHBondContact O-CG2 3.34Å; D124-V128 PolarHBondContact O-N 3.39Å; A125-V128 VanDerWaalsContact O-CG2 3.31Å; A125-V128 WeakPolarHBondContact O-CG2 3.39Å; A125-V128 PolarHBondContact O-N 2.69Å; I126-V128 PolarHBondContact O-N 3.1Å
129L97.3Very high96.4Very high1 Ų155.9 Ų55.91%0.00529%0.286CS..Hα-helixtrans-76.1-37.3177.4-70.2169.9000112.2L36 W46 V48 A125 I126 Q127 C131 H132 K133 Q136 A137 F140L36-L129 HydrophobicContact CD1-CD1 4.38Å; L36-L129 HydrophobicContact CD1-CG 4.27Å; L36-L129 HydrophobicContact CD2-CD1 4.36Å; W46-L129 WeakPolarHBondContact O-CD2 3.39Å; V48-L129 HydrophobicContact CG2-CD1 3.95Å; A125-L129 WeakPolarHBondContact O-CB 3.18Å; A125-L129 WeakPolarHBondContact O-CD1 3.47Å; A125-L129 WeakPolarHBondContact O-CG 3.36Å; A125-L129 PolarHBondContact O-N 2.99Å; A125-L129 VanDerWaalsContact O-N 3.1Å; I126-L129 PolarHBondContact O-N 3.09Å; Q127-L129 VanDerWaalsContact C-N 3.33Å; Q127-L129 PolarHBondContact O-N 2.82Å; L129-C131 PolarHBondContact O-N 3.36Å; L129-C131 VanDerWaalsContact O-N 3.1Å; L129-H132 PolarHBondContact O-N 3.41Å; L129-H132 VanDerWaalsContact O-N 3.09Å; L129-K133 HydrophobicContact CD2-CB 4.13Å; L129-K133 CarbonylContact O-C 3.18Å; L129-K133 WeakPolarHBondContact O-CA 3.44Å; L129-K133 PolarHBondContact O-N 3.22Å; L129-Q136 HydrophobicContact CD1-CB 4.25Å; L129-Q136 HydrophobicContact CD2-CB 4.2Å; L129-A137 HydrophobicContact CB-CB 4.09Å; L129-F140 HydrophobicContact CD1-CD2 4.28Å; L129-F140 HydrophobicContact CD1-CE2 3.53Å; L129-F140 HydrophobicContact CD1-CZ 4.41Å
130Q94.3Very high96.3Very high100 Ų10053 Ų5347%0.46727%0.274SS..Hα-helixtrans-54.9-37.1-172-168.664.54.500113.3I126 H132 A137I126-Q130 WeakPolarHBondContact O-CB 2.88Å; I126-Q130 PolarHBondContact O-N 2.95Å; Q130-H132 VanDerWaalsContact C-N 3.34Å; Q130-H132 PolarHBondContact O-N 3.13Å; Q130-A137 VanDerWaalsContact OE1-CB 3.27Å
131C87.2Confident96Very high90 Ų9056.4 Ų56.461%0.60829%0.291SS*.THydrogen-bonded Turntrans-67.3-30.5-176.9-169.20000113.7L129L129-C131 PolarHBondContact O-N 3.36Å; L129-C131 VanDerWaalsContact O-N 3.1Å
132H90.2Very high95.7Very high82 Ų8251.1 Ų51.138%0.3827%0.272SS..THydrogen-bonded Turntrans-138.8-10.4-168.5-63.6-47000115.7K45 L129 Q130K45-H132 HydrophobicContact CD-CB 4.12Å; K45-H132 WeakPolarHBondContact CD-CD2 3.24Å; K45-H132 WeakPolarHBondContact CE-CD2 3.1Å; K45-H132 WeakPolarHBondContact CE-NE2 3.2Å; K45-H132 PolarHBondContact NZ-CD2 3.19Å; K45-H132 PolarHBondContact NZ-CE1 3.15Å; K45-H132 PolarHBondContact NZ-ND1 3.44Å; K45-H132 PolarHBondContact NZ-NE2 3.24Å; L129-H132 PolarHBondContact O-N 3.41Å; L129-H132 VanDerWaalsContact O-N 3.09Å; Q130-H132 VanDerWaalsContact C-N 3.34Å; Q130-H132 PolarHBondContact O-N 3.13Å
133K95.4Very high95.3Very high69 Ų6950.4 Ų50.430%0.327%0.268SS..  trans-144.158.5177.2-65.1-65.9168.6-65.60110I47 L129 V135 Q136 A137I47-K133 HydrophobicContact CG2-CD 4.38Å; I47-K133 HydrophobicContact CG2-CG 3.89Å; L129-K133 HydrophobicContact CD2-CB 4.13Å; L129-K133 CarbonylContact O-C 3.18Å; L129-K133 WeakPolarHBondContact O-CA 3.44Å; L129-K133 PolarHBondContact O-N 3.22Å; K133-V135 PolarHBondContact O-N 2.94Å; K133-V135 VanDerWaalsContact O-N 3.16Å; K133-Q136 HydrophobicContact CB-CB 3.98Å; K133-Q136 HydrophobicContact CB-CG 4Å; K133-Q136 WeakPolarHBondContact O-CA 3.41Å; K133-Q136 WeakPolarHBondContact O-CB 3.28Å; K133-Q136 PolarHBondContact O-N 2.96Å; K133-A137 PolarHBondContact O-N 3.49Å
134P95.8Very high94.8Very high65 Ų6549.4 Ų49.442%0.42226%0.26SS..Hα-helixtrans-56.6-36.6-17722.9-34.1000112.8Q136 A137 T138P134-Q136 PolarHBondContact O-N 3.46Å; P134-A137 WeakPolarHBondContact O-CB 3.1Å; P134-A137 PolarHBondContact O-N 2.94Å; P134-T138 PolarHBondContact O-N 2.88Å
135V97.2Very high93.9Very high36 Ų3652.3 Ų52.322%0.21827%0.271CS..Hα-helixtrans-62.5-28.5174.9179.70000113F84 N86 K133 T138 Y139F84-V135 HydrophobicContact CB-CG1 4.44Å; N86-V135 HydrophobicContact CB-CG1 4.4Å; N86-V135 HydrophobicContact CB-CG2 4.32Å; K133-V135 PolarHBondContact O-N 2.94Å; K133-V135 VanDerWaalsContact O-N 3.16Å; V135-T138 PolarHBondContact O-OG1 2.72Å; V135-Y139 HydrophobicContact CG1-CE1 4.26Å; V135-Y139 WeakPolarHBondContact O-CD1 3.48Å; V135-Y139 WeakPolarHBondContact O-CE1 3.18Å
136Q98.1Very high92.6Very high21 Ų2153.8 Ų53.810%0.09828%0.282CS..Hα-helixtrans-78.5-29.3175-64.9-174.4-16.400111.8V48 L129 K133 P134 T138 Y139V48-Q136 HydrophobicContact CG2-CB 4.02Å; V48-Q136 HydrophobicContact CG2-CG 4.5Å; L129-Q136 HydrophobicContact CD1-CB 4.25Å; L129-Q136 HydrophobicContact CD2-CB 4.2Å; K133-Q136 HydrophobicContact CB-CB 3.98Å; K133-Q136 HydrophobicContact CB-CG 4Å; K133-Q136 WeakPolarHBondContact O-CA 3.41Å; K133-Q136 WeakPolarHBondContact O-CB 3.28Å; K133-Q136 PolarHBondContact O-N 2.96Å; P134-Q136 PolarHBondContact O-N 3.46Å; Q136-T138 VanDerWaalsContact C-N 3.28Å; Q136-T138 PolarHBondContact O-N 3.09Å; Q136-Y139 HydrophobicContact CB-CD2 4.33Å; Q136-Y139 HydrophobicContact CB-CE2 4.13Å; Q136-Y139 HydrophobicContact CG-CE2 3.92Å; Q136-Y139 VanDerWaalsContact O-CB 3.28Å; Q136-Y139 WeakPolarHBondContact O-CB 2.94Å; Q136-Y139 VanDerWaalsContact O-CG 3.29Å; Q136-Y139 PolarHBondContact O-N 2.82Å
137A97.6Very high90.9Very high0 Ų054.4 Ų54.40%029%0.289CS..Hα-helixtrans-62.9-37.7173.800000111.1I126 L129 Q130 K133 P134 Y139 F140I126-A137 HydrophobicContact CG2-CB 4.39Å; L129-A137 HydrophobicContact CB-CB 4.09Å; Q130-A137 VanDerWaalsContact OE1-CB 3.27Å; K133-A137 PolarHBondContact O-N 3.49Å; P134-A137 WeakPolarHBondContact O-CB 3.1Å; P134-A137 PolarHBondContact O-N 2.94Å; A137-Y139 PolarHBondContact O-N 3.11Å; A137-F140 PolarHBondContact O-N 3.29Å; A137-F140 VanDerWaalsContact O-N 3.09Å
138T97.1Very high89.1Confident46 Ų4654.1 Ų54.128%0.28229%0.291SS..Hα-helixtrans-65-12.3176.971.60000113.9P134 V135 Q136 F140 E141 A142P134-T138 PolarHBondContact O-N 2.88Å; V135-T138 PolarHBondContact O-OG1 2.72Å; Q136-T138 VanDerWaalsContact C-N 3.28Å; Q136-T138 PolarHBondContact O-N 3.09Å; T138-F140 PolarHBondContact O-N 2.6Å; T138-E141 PolarHBondContact O-N 3.13Å; T138-A142 PolarHBondContact O-N 3.04Å
139Y98Very high87.1Confident8 Ų857.4 Ų57.43%0.03131%0.311CS..Hα-helixtrans-64.9-35.5173.9-59.7-6.4000110.9L24 V48 F84 V95 V135 Q136 A137 L143L24-Y139 HydrophobicContact CD2-CD2 4.2Å; V48-Y139 HydrophobicContact CB-CD2 4.48Å; V48-Y139 HydrophobicContact CB-CE2 4.41Å; V48-Y139 HydrophobicContact CG1-CD2 4.3Å; V48-Y139 HydrophobicContact CG1-CE2 4.34Å; V48-Y139 HydrophobicContact CG2-CD2 4.17Å; V48-Y139 HydrophobicContact CG2-CE2 4.5Å; F84-Y139 HydrophobicContact CB-CD1 4.12Å; F84-Y139 HydrophobicContact CB-CE1 3.43Å; F84-Y139 VanDerWaalsContact CB-CE1 3.43Å; F84-Y139 AromaticContact CD1-CD1 3.52Å; F84-Y139 HydrophobicContact CD1-CD1 3.52Å; F84-Y139 AromaticContact CD1-CE1 3.74Å; F84-Y139 HydrophobicContact CD1-CE1 3.74Å; F84-Y139 AromaticContact CD2-CD1 3.65Å; F84-Y139 HydrophobicContact CD2-CD1 3.65Å; F84-Y139 AromaticContact CD2-CE1 3.68Å; F84-Y139 HydrophobicContact CD2-CE1 3.68Å; F84-Y139 AromaticContact CE1-CD1 3.73Å; F84-Y139 HydrophobicContact CE1-CD1 3.73Å; F84-Y139 HydrophobicContact CE1-CE1 4.4Å; F84-Y139 AromaticContact CE2-CD1 3.86Å; F84-Y139 HydrophobicContact CE2-CD1 3.86Å; F84-Y139 HydrophobicContact CE2-CE1 4.35Å; F84-Y139 HydrophobicContact CE2-CG 4.43Å; F84-Y139 AromaticContact CG-CD1 3.48Å; F84-Y139 HydrophobicContact CG-CD1 3.48Å; F84-Y139 VanDerWaalsContact CG-CD1 3.48Å; F84-Y139 AromaticContact CG-CE1 3.33Å; F84-Y139 HydrophobicContact CG-CE1 3.33Å; F84-Y139 AromaticContact CZ-CD1 3.89Å; F84-Y139 HydrophobicContact CZ-CD1 3.89Å; V95-Y139 HydrophobicContact CB-CD2 4.47Å; V95-Y139 HydrophobicContact CG1-CD2 3.89Å; V95-Y139 HydrophobicContact CG1-CE2 4.38Å; V95-Y139 HydrophobicContact CG1-CG 4.18Å; V95-Y139 HydrophobicContact CG2-CD1 4.11Å; V95-Y139 HydrophobicContact CG2-CD2 3.76Å; V95-Y139 HydrophobicContact CG2-CE1 3.92Å; V95-Y139 HydrophobicContact CG2-CE2 3.51Å; V95-Y139 HydrophobicContact CG2-CG 4.05Å; V135-Y139 HydrophobicContact CG1-CE1 4.26Å; V135-Y139 WeakPolarHBondContact O-CD1 3.48Å; V135-Y139 WeakPolarHBondContact O-CE1 3.18Å; Q136-Y139 HydrophobicContact CB-CD2 4.33Å; Q136-Y139 HydrophobicContact CB-CE2 4.13Å; Q136-Y139 HydrophobicContact CG-CE2 3.92Å; Q136-Y139 VanDerWaalsContact O-CB 3.28Å; Q136-Y139 WeakPolarHBondContact O-CB 2.94Å; Q136-Y139 VanDerWaalsContact O-CG 3.29Å; Q136-Y139 PolarHBondContact O-N 2.82Å; A137-Y139 PolarHBondContact O-N 3.11Å; Y139-L143 PolarHBondContact O-N 2.77Å; Y139-L143 VanDerWaalsContact O-N 3.09Å
140F96.1Very high85.1Confident0 Ų061.6 Ų61.60%034%0.341CS..Hα-helixtrans-78.5-31.2-179.3-62.1-83.7000112.2L24 V34 V48 I122 A125 I126 L129 A137 T138 L143 Q144L24-F140 HydrophobicContact CD1-CD1 4.25Å; L24-F140 HydrophobicContact CD1-CE1 4.22Å; L24-F140 HydrophobicContact CD2-CE1 3.92Å; L24-F140 HydrophobicContact CD2-CE2 4.09Å; L24-F140 HydrophobicContact CD2-CZ 3.66Å; V34-F140 HydrophobicContact CB-CE1 4.02Å; V34-F140 HydrophobicContact CB-CZ 4.38Å; V34-F140 HydrophobicContact CG1-CE1 3.71Å; V34-F140 HydrophobicContact CG1-CZ 3.81Å; V34-F140 HydrophobicContact CG2-CE1 3.94Å; V34-F140 HydrophobicContact CG2-CZ 4.06Å; V48-F140 HydrophobicContact CG2-CE2 4.17Å; V48-F140 HydrophobicContact CG2-CZ 4.43Å; I122-F140 HydrophobicContact CD1-CD1 4.24Å; I122-F140 HydrophobicContact CD1-CE1 4.22Å; I122-F140 HydrophobicContact CG2-CB 4.15Å; I122-F140 HydrophobicContact CG2-CD1 3.83Å; I122-F140 HydrophobicContact CG2-CG 4.27Å; A125-F140 HydrophobicContact CB-CZ 4.19Å; I126-F140 HydrophobicContact CD1-CB 3.77Å; I126-F140 HydrophobicContact CD1-CG 4.49Å; I126-F140 HydrophobicContact CG1-CB 3.72Å; I126-F140 HydrophobicContact CG1-CD2 4.09Å; I126-F140 HydrophobicContact CG1-CG 4.01Å; L129-F140 HydrophobicContact CD1-CD2 4.28Å; L129-F140 HydrophobicContact CD1-CE2 3.53Å; L129-F140 HydrophobicContact CD1-CZ 4.41Å; A137-F140 PolarHBondContact O-N 3.29Å; A137-F140 VanDerWaalsContact O-N 3.09Å; T138-F140 PolarHBondContact O-N 2.6Å; F140-L143 WeakPolarHBondContact O-CB 3.34Å; F140-L143 PolarHBondContact O-N 3.34Å; F140-Q144 WeakPolarHBondContact O-CG 3.39Å; F140-Q144 PolarHBondContact O-N 2.96Å; F140-Q144 VanDerWaalsContact O-N 3.12Å
141E91.7Very high82.8Confident92 Ų9263.8 Ų63.843%0.4336%0.356SS..Hα-helixtrans-61.7-49.8171.2-63171173.800110.2T138 L143 Q144 E145T138-E141 PolarHBondContact O-N 3.13Å; E141-L143 VanDerWaalsContact C-N 3.29Å; E141-L143 PolarHBondContact O-N 3.33Å; E141-Q144 PolarHBondContact O-N 3.35Å; E141-E145 PolarHBondContact O-N 2.82Å; E141-E145 VanDerWaalsContact O-N 3.11Å
142A91.9Very high80.8Confident23 Ų2362 Ų6219%0.1935%0.353CS..Hα-helixtrans-63.4-33.7176.900000113.1V81 F84 T138 E145 S146V81-A142 HydrophobicContact CG1-CB 4.19Å; F84-A142 HydrophobicContact CE1-CB 3.98Å; F84-A142 HydrophobicContact CZ-CB 3.66Å; T138-A142 PolarHBondContact O-N 3.04Å; A142-E145 PolarHBondContact O-N 3.29Å; A142-S146 PolarHBondContact O-N 2.87Å; A142-S146 VanDerWaalsContact O-N 3.07Å
143L90.1Very high78.2Confident7 Ų763.9 Ų63.94%0.03737%0.37CS..Hα-helixtrans-60.4-47.4173.9-17580.7000111L24 F26 V81 V97 Y139 F140 E141 S146 C147L24-L143 HydrophobicContact CD1-CB 4.38Å; L24-L143 HydrophobicContact CD1-CD1 4.23Å; L24-L143 HydrophobicContact CD1-CD2 4.27Å; F26-L143 HydrophobicContact CE1-CD2 4.26Å; F26-L143 HydrophobicContact CE2-CD1 4.25Å; F26-L143 HydrophobicContact CE2-CD2 4.08Å; F26-L143 HydrophobicContact CZ-CD1 4.34Å; F26-L143 HydrophobicContact CZ-CD2 3.42Å; F26-L143 VanDerWaalsContact CZ-CD2 3.42Å; V81-L143 HydrophobicContact CG1-CB 4.4Å; V81-L143 HydrophobicContact CG2-CD1 4.01Å; V97-L143 HydrophobicContact CG2-CD1 3.86Å; Y139-L143 PolarHBondContact O-N 2.77Å; Y139-L143 VanDerWaalsContact O-N 3.09Å; F140-L143 WeakPolarHBondContact O-CB 3.34Å; F140-L143 PolarHBondContact O-N 3.34Å; E141-L143 VanDerWaalsContact C-N 3.29Å; E141-L143 PolarHBondContact O-N 3.33Å; L143-S146 PolarHBondContact O-N 3.4Å; L143-S146 PolarHBondContact O-OG 2.99Å; L143-C147 PolarHBondContact O-N 3.42Å; L143-C147 PolarHBondContact O-SG 2.7Å
144Q85.6Confident75.4Confident96 Ų9666.2 Ų66.245%0.44939%0.392SS..Hα-helixtrans-63.8-41.2179.7-71.1176.2-7.300111.9F140 E141 S146 C147 L148F140-Q144 WeakPolarHBondContact O-CG 3.39Å; F140-Q144 PolarHBondContact O-N 2.96Å; F140-Q144 VanDerWaalsContact O-N 3.12Å; E141-Q144 PolarHBondContact O-N 3.35Å; Q144-S146 VanDerWaalsContact C-N 3.31Å; Q144-S146 PolarHBondContact O-N 3.06Å; Q144-C147 PolarHBondContact O-N 3.28Å; Q144-L148 WeakPolarHBondContact O-CG 3.41Å; Q144-L148 PolarHBondContact O-N 2.98Å
145E79.6Confident72.8Confident133 Ų13370 Ų7062%0.62141%0.408SS*.Hα-helixtrans-60.3-40.5174.7-69.3178.9177.300112E141 A142 C147 L148 T149E141-E145 PolarHBondContact O-N 2.82Å; E141-E145 VanDerWaalsContact O-N 3.11Å; A142-E145 PolarHBondContact O-N 3.29Å; E145-C147 VanDerWaalsContact C-N 3.31Å; E145-C147 PolarHBondContact O-N 3.19Å; E145-L148 PolarHBondContact O-N 3.09Å; E145-T149 PolarHBondContact O-N 3.47Å; E145-T149 PolarHBondContact O-OG1 2.84Å
146S70.4Confident69.8Low32 Ų3274 Ų7422%0.22443%0.432CS..Hα-helixtrans-62.3-36.8178.278.30000112.9A142 L143 Q144 T149 S150A142-S146 PolarHBondContact O-N 2.87Å; A142-S146 VanDerWaalsContact O-N 3.07Å; L143-S146 PolarHBondContact O-N 3.4Å; L143-S146 PolarHBondContact O-OG 2.99Å; Q144-S146 VanDerWaalsContact C-N 3.31Å; Q144-S146 PolarHBondContact O-N 3.06Å; S146-T149 PolarHBondContact O-N 3.02Å; S146-T149 PolarHBondContact O-OG1 2.75Å; S146-S150 PolarHBondContact O-N 3.32Å
147C61.3Low66.7Low48 Ų4878.4 Ų78.432%0.32446%0.461SS..Hα-helixtrans-70.9-29.2177.2-66.40000113L143 Q144 E145 S150L143-C147 PolarHBondContact O-N 3.42Å; L143-C147 PolarHBondContact O-SG 2.7Å; Q144-C147 PolarHBondContact O-N 3.28Å; E145-C147 VanDerWaalsContact C-N 3.31Å; E145-C147 PolarHBondContact O-N 3.19Å; C147-S150 PolarHBondContact O-OG 2.93Å; C147-S150 VanDerWaalsContact O-OG 3.13Å
148L60Low63.7Low137 Ų13783.9 Ų83.972%0.71750%0.495SS*.Hα-helixtrans-73.4-35176.8-66.5173000111.5Q144 E145Q144-L148 WeakPolarHBondContact O-CG 3.41Å; Q144-L148 PolarHBondContact O-N 2.98Å; E145-L148 PolarHBondContact O-N 3.09Å
149T55.1Low61.1Low120 Ų12089.5 Ų89.574%0.73652%0.521SS*.Hα-helixtrans-74.7-20.6178.351.20000114.5E145 S146E145-T149 PolarHBondContact O-N 3.47Å; E145-T149 PolarHBondContact O-OG1 2.84Å; S146-T149 PolarHBondContact O-N 3.02Å; S146-T149 PolarHBondContact O-OG1 2.75Å
150S55Low57.9Low89 Ų8992.7 Ų92.762%0.62256%0.556SS**Hα-helixtrans-83.7-17.2178.262.20000114.3S146 C147 G152S146-S150 PolarHBondContact O-N 3.32Å; C147-S150 PolarHBondContact O-OG 2.93Å; C147-S150 VanDerWaalsContact O-OG 3.13Å; S150-G152 PolarHBondContact O-N 2.74Å
151N45.6Very low55.1Low145 Ų145101.2 Ų101.278%0.77560%0.596SS**THydrogen-bonded Turntrans-93.619.3-174.2-74.2-14.4000114.7
152G44.8Very low52.4Low53 Ų53103.7 Ų103.755%0.54661%0.612SS.*  trans-140.757.1-169.300000116.7S150S150-G152 PolarHBondContact O-N 2.74Å
153T36.4Very low49.8Very low122 Ų122110.5 Ų110.575%0.74865%0.645SS**  trans-163.3109.3145.6-19.90000113.8
154P36.8Very low47.2Very low117 Ų117115 Ų11576%0.7668%0.676SS**  trans-91.5111.3142.17.111.6000107.3V156P154-V156 VanDerWaalsContact C-N 3.27Å; P154-V156 PolarHBondContact O-N 3.44Å
155L39.8Very low44.9Very low145 Ų145115.9 Ų115.976%0.75969%0.691SS**  trans-72.585.1174.4-153.7114.5000108.8T157L155-T157 WeakPolarHBondContact CD2-OG1 3.13Å; L155-T157 PolarHBondContact O-N 3.3Å
156V35.4Very low42.8Very low120 Ų120115.3 Ų115.373%0.72770%0.696SS**  trans-8894.9163176.90000106.7P154 T158P154-V156 VanDerWaalsContact C-N 3.27Å; P154-V156 PolarHBondContact O-N 3.44Å; V156-T158 PolarHBondContact O-N 3.38Å
157T31.5Very low41Very low114 Ų114124.8 Ų124.870%0.69973%0.729SS**  trans-84.4103165.5-62.80000108.1L155 I159L155-T157 WeakPolarHBondContact CD2-OG1 3.13Å; L155-T157 PolarHBondContact O-N 3.3Å; T157-I159 PolarHBondContact O-N 3.03Å
158T34.4Very low39.7Very low115 Ų115128 Ų12871%0.70675%0.752SS**  trans-66.7120.1167.9-3.20000110V156V156-T158 PolarHBondContact O-N 3.38Å
159I42.9Very low38.5Very low163 Ų163128 Ų12884%0.83675%0.751SS**  trans-8.5123.5147.7-20.3175.9000114.8T157T157-I159 PolarHBondContact O-N 3.03Å
160G32Very low37.5Very low75 Ų75130.3 Ų130.377%0.77376%0.759SS**  trans-154.5118.2164.300000108.6
161E37.5Very low36.6Very low179 Ų179133.8 Ų133.884%0.83677%0.766SS**  trans-68.5161.5-167.6-71.4166.8129.600115.8
162D35Very low36.2Very low144 Ų144132.5 Ų132.577%0.7777%0.768SS**  trans72.4104.5150.2-84.4-11.2000120.9
163L35.6Very low36.1Very low167 Ų167134.9 Ų134.987%0.87478%0.777SS**  -176.1124.794.8-90.3162.3000110
164S35.3Very low36.4Very low100 Ų100135.9 Ų135.970%0.69978%0.782SS**  trans-77.1155.1167.349.60000110.6
165P37.6Very low36.7Very low116 Ų116135.7 Ų135.775%0.75378%0.783SS**  -135.5141.5110.122.5-3.9000113.9
166T36.3Very low36.7Very low120 Ų120132.5 Ų132.574%0.73679%0.785SS**  trans-46.6135.8171.748.60000114.9
167Y32.4Very low37.1Very low231 Ų231135 Ų13591%0.90679%0.793SS**  trans-135.4138.3147.5-91.3-82.3000111
168S34.6Very low37.9Very low117 Ų117144.3 Ų144.382%0.81882%0.815SS**  trans-76.6152.9-156.7-54.10000115.6
169I34.1Very low38.1Very low136 Ų136145.8 Ų145.870%0.69782%0.821SS**  trans-52.3138.6167.4-65.5168.2000111.4Q171I169-Q171 HydrophobicContact CG2-CG 4.08Å
170N34.2Very low37.8Very low168 Ų168144.9 Ų144.990%0.89882%0.82SS**  trans-131.4107145.7-116.3-5.5000109.5
171Q35.9Very low38.2Very low162 Ų162148.8 Ų148.876%0.75782%0.823SS**  trans-77.6133.2162.1-75.1177.30.600108.3I169I169-Q171 HydrophobicContact CG2-CG 4.08Å
172S37.4Very low38.2Very low118 Ų118147 Ų14783%0.82582%0.822SS**  trans-144.998.5149.155.60000108.9
173S42.7Very low38.4Very low104 Ų104147.2 Ų147.273%0.72783%0.825SS**  trans-54.3135.6161.8-27.90000110.5
174V42.1Very low38.6Very low143 Ų143145.9 Ų145.987%0.86782%0.822SS**  trans-148119.9137-172.60000109.7
175S43.6Very low38.8Very low112 Ų112149.1 Ų149.178%0.78383%0.831SS**  trans-59142.3164.545.40000113.8
176G40.4Very low38.9Very low78 Ų78151.7 Ų151.780%0.80484%0.837SS**  trans-15391.1169.300000112.3
177I43.8Very low39.1Very low173 Ų173154.3 Ų154.389%0.88785%0.845SS**  trans-65.7129.4166.3-67.5163000108.9
178R48.5Very low39.8Very low310 Ų310147.4 Ų147.4100%1.1784%0.839SS**  trans-161.60131.3-149.7173.7-175.5-179.20.4111.5

Retrieved 178 of 178 residues in 179.7 ms (Link to these results)

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