A0A077ZJN3_TRITR Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A077ZJN3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 88 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
1M46.5Very low86.8Confident229 Ų229103.7 Ų103.7100%1.12853%0.525SS*.  0132.70-66.1179.4-168.600107.5K3M1-K3 PolarHBondContact O-N 3.13Å
2P60.7Low87.7Confident111 Ų11196.8 Ų96.872%0.72149%0.49SS*.  trans-56129.5169.3-7.919.5000107.4E4P2-E4 PolarHBondContact O-N 3.45Å; P2-E4 VanDerWaalsContact O-N 3.09Å
3K75.8Confident88.5Confident113 Ų11394.7 Ų94.749%0.49149%0.487SS..  trans-64.5115.7175-71.9171.2176.9170.10107.1M1 L77M1-K3 PolarHBondContact O-N 3.13Å; K3-L77 HydrophobicContact CB-CD2 4.21Å; K3-L77 WeakPolarHBondContact O-CD2 3.45Å
4E90.8Very high89.1Confident174 Ų17495.3 Ų95.381%0.81349%0.486SS*.  trans-66.1138171.7-71-178.4176.800109.1P2 F6P2-E4 PolarHBondContact O-N 3.45Å; P2-E4 VanDerWaalsContact O-N 3.09Å; E4-F6 PolarHBondContact O-N 2.96Å
5A96.2Very high89.7Confident31 Ų3196.3 Ų96.326%0.25649%0.493SS..EExtended strand (participates in β ladder)trans-77.5123.4178.600000109.5I7 V21 F75 Y76 L77A5-I7 HydrophobicContact CB-CD1 3.9Å; A5-I7 PolarHBondContact O-N 3.14Å; A5-V21 HydrophobicContact CB-CB 4.37Å; A5-V21 HydrophobicContact CB-CG1 3.66Å; A5-V21 HydrophobicContact CB-CG2 3.72Å; A5-F75 HydrophobicContact CB-CD2 4.13Å; A5-Y76 WeakPolarHBondContact CA-O 3.26Å; A5-L77 HydrophobicContact CB-CD2 3.84Å; A5-L77 HydrophobicContact CB-CG 4.42Å
6F97Very high90.2Very high124 Ų12491.6 Ų91.654%0.54447%0.469SS..EExtended strand (participates in β ladder)trans-91.397.4170.7-171.9-87.2000109E4 K8 F75 Y76E4-F6 PolarHBondContact O-N 2.96Å; F6-K8 HydrophobicContact CD1-CD 3.95Å; F6-K8 VanDerWaalsContact CD1-CE 3.44Å; F6-K8 HydrophobicContact CD1-CG 4.11Å; F6-K8 HydrophobicContact CE1-CD 3.59Å; F6-K8 HydrophobicContact CE1-CG 4.19Å; F6-F75 CarbonylContact O-C 3.57Å; F6-F75 VanDerWaalsContact O-CA 3.31Å; F6-F75 WeakPolarHBondContact O-CA 3.45Å; F6-F75 WeakPolarHBondContact O-CB 3.48Å; F6-Y76 PolarHBondContact N-O 2.83Å; F6-Y76 PolarHBondContact O-N 3.36Å
7I97.8Very high90.7Very high49 Ų4990.9 Ų90.925%0.25146%0.459SS..EExtended strand (participates in β ladder)trans-73.1126.7-179.6-48.6-54.6000109.6A5 V10 V21 I73 F75A5-I7 HydrophobicContact CB-CD1 3.9Å; A5-I7 PolarHBondContact O-N 3.14Å; I7-V10 HydrophobicContact CG2-CB 4Å; I7-V10 HydrophobicContact CG2-CG1 4.19Å; I7-V21 HydrophobicContact CD1-CG2 4Å; I7-I73 HydrophobicContact CD1-CD1 4.43Å; I7-F75 HydrophobicContact CD1-CB 3.62Å; I7-F75 HydrophobicContact CD1-CG 4.12Å
8K96.8Very high91.1Very high112 Ų11290.4 Ų90.449%0.48746%0.455SS..EExtended strand (participates in β ladder)trans-100.1-50178.2-70.8-79.9179.5-164.80111.6F6 Y74 Y76F6-K8 HydrophobicContact CD1-CD 3.95Å; F6-K8 VanDerWaalsContact CD1-CE 3.44Å; F6-K8 HydrophobicContact CD1-CG 4.11Å; F6-K8 HydrophobicContact CE1-CD 3.59Å; F6-K8 HydrophobicContact CE1-CG 4.19Å; K8-Y74 WeakPolarHBondContact CA-O 3.47Å; K8-Y74 HydrophobicContact CB-CD1 3.42Å; K8-Y74 VanDerWaalsContact CB-CD1 3.42Å; K8-Y74 HydrophobicContact CB-CE1 3.86Å; K8-Y74 HydrophobicContact CB-CG 4.27Å; K8-Y74 WeakPolarHBondContact CB-O 3.47Å; K8-Y74 HydrophobicContact CG-CD1 3.95Å; K8-Y74 HydrophobicContact CG-CE1 3.88Å; K8-Y74 PolarHBondContact N-O 2.99Å; K8-Y76 HydrophobicContact CD-CD2 4.41Å; K8-Y76 HydrophobicContact CD-CE2 4.15Å; K8-Y76 HydrophobicContact CG-CD2 3.77Å; K8-Y76 HydrophobicContact CG-CE2 3.74Å
9I97.3Very high91.4Very high90 Ų9089.8 Ų89.846%0.46245%0.447SS..EExtended strand (participates in β ladder)trans-139.3137179.3-56173.2000107Y72 I73 Y74I9-Y72 HydrophobicContact CB-CE1 3.89Å; I9-Y72 HydrophobicContact CD1-CE1 4.48Å; I9-Y72 HydrophobicContact CG2-CD1 3.91Å; I9-Y72 HydrophobicContact CG2-CE1 3.59Å; I9-I73 WeakPolarHBondContact O-CA 3.45Å; I9-Y74 PolarHBondContact N-O 3.25Å; I9-Y74 PolarHBondContact O-N 3.43Å
10V97.8Very high91.8Very high63 Ų6385.4 Ų85.438%0.38242%0.424SS..EExtended strand (participates in β ladder)trans-141.8127.7175.460.60000109I7 M12 R17 I73I7-V10 HydrophobicContact CG2-CB 4Å; I7-V10 HydrophobicContact CG2-CG1 4.19Å; V10-M12 HydrophobicContact CG2-CG 3.77Å; V10-R17 HydrophobicContact CG2-CB 4.37Å; V10-R17 HydrophobicContact CG2-CG 4.11Å; V10-I73 HydrophobicContact CB-CG1 4.39Å; V10-I73 HydrophobicContact CG2-CG1 4.31Å
11D97.7Very high92.1Very high45 Ų4581.7 Ų81.724%0.24141%0.407CS..EExtended strand (participates in β ladder)trans-134.973.9168.7173.234.3000106.6H67 G70 S71 Y72D11-H67 IonicContact OD2-CD2 3.79Å; D11-H67 IonicContact OD2-NE2 3.71Å; D11-G70 CarbonylContact O-C 3.59Å; D11-G70 VanDerWaalsContact O-CA 3.23Å; D11-G70 WeakPolarHBondContact O-CA 3.46Å; D11-G70 WeakPolarHBondContact OD1-CA 3.45Å; D11-G70 PolarHBondContact OD1-N 2.86Å; D11-G70 PolarHBondContact OD2-N 2.88Å; D11-S71 PolarHBondContact O-N 2.89Å; D11-Y72 CarbonylContact C-O 3.53Å; D11-Y72 PolarHBondContact N-O 2.65Å; D11-Y72 PolarHBondContact O-N 3.47Å
12M97.9Very high94.5Very high20 Ų2073.4 Ų73.410%0.09937%0.367CS..SBendtrans-167.5158.1172.356.3177.359.900109.7V10 M16 R17 W53 G70 I73V10-M12 HydrophobicContact CG2-CG 3.77Å; M12-M16 HydrophobicContact CB-CB 4.14Å; M12-M16 HydrophobicContact CG-CB 4.24Å; M12-M16 HydrophobicContact SD-CB 3.81Å; M12-R17 HydrophobicContact CG-CB 4.31Å; M12-R17 HydrophobicContact SD-CB 4.42Å; M12-W53 HydrophobicContact CE-CH2 4.37Å; M12-W53 HydrophobicContact CE-CZ3 4.26Å; M12-G70 WeakPolarHBondContact CA-O 3.31Å; M12-G70 VanDerWaalsContact CB-O 3.31Å; M12-G70 WeakPolarHBondContact CB-O 3.4Å; M12-I73 HydrophobicContact CE-CB 3.72Å; M12-I73 HydrophobicContact CE-CG2 3.59Å; M12-I73 HydrophobicContact SD-CB 3.96Å; M12-I73 HydrophobicContact SD-CD1 4.38Å; M12-I73 HydrophobicContact SD-CG2 4Å
13P97.8Very high96.3Very high70 Ų7068.2 Ų68.246%0.45533%0.333SS..  trans-60.9157.1174.6-25.836.5000114.1N15 M16 R17P13-N15 VanDerWaalsContact C-N 3.33Å; P13-N15 VanDerWaalsContact CB-OD1 3.26Å; P13-N15 WeakPolarHBondContact CB-OD1 3.13Å; P13-N15 PolarHBondContact O-N 3.17Å; P13-M16 HydrophobicContact CG-SD 4.46Å; P13-M16 WeakPolarHBondContact O-CB 3.29Å; P13-M16 PolarHBondContact O-N 2.98Å; P13-R17 PolarHBondContact O-N 3.34Å
14E97.5Very high97.4Very high103 Ų10362.9 Ų62.948%0.48131%0.31SS..Hα-helixtrans-55.5-42.5-176-17754.8-140.400113.7M16 R17 Q18E14-M16 VanDerWaalsContact C-N 3.31Å; E14-M16 PolarHBondContact O-N 3.17Å; E14-R17 VanDerWaalsContact CD-CZ 3.45Å; E14-R17 WeakPolarHBondContact O-CB 3.13Å; E14-R17 PolarHBondContact O-N 3.46Å; E14-R17 IonicContact OE1-CZ 3.2Å; E14-R17 IonicContact OE1-NE 3.08Å; E14-R17 PolarHBondContact OE1-NE 2.78Å; E14-R17 VanDerWaalsContact OE1-NE 3.08Å; E14-R17 IonicContact OE1-NH2 3.21Å; E14-R17 PolarHBondContact OE1-NH2 2.92Å; E14-R17 IonicContact OE2-CZ 2.9Å; E14-R17 IonicContact OE2-NE 2.98Å; E14-R17 PolarHBondContact OE2-NE 3.09Å; E14-R17 IonicContact OE2-NH1 3.66Å; E14-R17 IonicContact OE2-NH2 3.45Å; E14-R17 PolarHBondContact OE2-NH2 2.99Å; E14-Q18 WeakPolarHBondContact O-CB 3.36Å; E14-Q18 PolarHBondContact O-N 2.98Å
15N97.3Very high97.7Very high110 Ų11057.6 Ų57.659%0.58828%0.284SS*.Hα-helixtrans-64.2-36.2178.763-54.7000112.3P13 R19P13-N15 VanDerWaalsContact C-N 3.33Å; P13-N15 VanDerWaalsContact CB-OD1 3.26Å; P13-N15 WeakPolarHBondContact CB-OD1 3.13Å; P13-N15 PolarHBondContact O-N 3.17Å; N15-R19 WeakPolarHBondContact O-CB 3.43Å; N15-R19 PolarHBondContact O-N 3.49Å; N15-R19 VanDerWaalsContact O-N 3.13Å
16M98.1Very high97.8Very high22 Ų2258.7 Ų58.711%0.10828%0.284CS..Hα-helixtrans-70.9-45.2174.4-69-175.466.500110.6M12 P13 E14 Q18 R19 A20 F45 F49 W53M12-M16 HydrophobicContact CB-CB 4.14Å; M12-M16 HydrophobicContact CG-CB 4.24Å; M12-M16 HydrophobicContact SD-CB 3.81Å; P13-M16 HydrophobicContact CG-SD 4.46Å; P13-M16 WeakPolarHBondContact O-CB 3.29Å; P13-M16 PolarHBondContact O-N 2.98Å; E14-M16 VanDerWaalsContact C-N 3.31Å; E14-M16 PolarHBondContact O-N 3.17Å; M16-Q18 VanDerWaalsContact C-N 3.33Å; M16-Q18 PolarHBondContact O-N 2.8Å; M16-R19 PolarHBondContact O-N 2.68Å; M16-R19 VanDerWaalsContact O-N 3.15Å; M16-A20 PolarHBondContact O-N 2.64Å; M16-F45 HydrophobicContact CE-CE1 4.07Å; M16-F45 WeakPolarHBondContact O-CZ 3.49Å; M16-F49 HydrophobicContact CB-CZ 4.37Å; M16-F49 HydrophobicContact CE-CB 4.36Å; M16-F49 HydrophobicContact CE-CD1 4.15Å; M16-F49 HydrophobicContact CE-CD2 4.21Å; M16-F49 HydrophobicContact CE-CG 3.99Å; M16-F49 HydrophobicContact CG-CD1 4.15Å; M16-F49 HydrophobicContact CG-CE1 3.63Å; M16-F49 HydrophobicContact CG-CE2 4.3Å; M16-F49 HydrophobicContact CG-CZ 3.72Å; M16-F49 HydrophobicContact SD-CD1 4.3Å; M16-F49 HydrophobicContact SD-CE1 4.35Å; M16-W53 HydrophobicContact CE-CH2 3.53Å; M16-W53 HydrophobicContact CE-CZ2 3.58Å
17R98.2Very high97.9Very high79 Ų7952.8 Ų52.830%0.29826%0.258SS..Hα-helixtrans-54.1-49.7175.4-175.3-172.780.5160.12.9111.6V10 M12 P13 E14 R19 A20 V21 I73V10-R17 HydrophobicContact CG2-CB 4.37Å; V10-R17 HydrophobicContact CG2-CG 4.11Å; M12-R17 HydrophobicContact CG-CB 4.31Å; M12-R17 HydrophobicContact SD-CB 4.42Å; P13-R17 PolarHBondContact O-N 3.34Å; E14-R17 VanDerWaalsContact CD-CZ 3.45Å; E14-R17 WeakPolarHBondContact O-CB 3.13Å; E14-R17 PolarHBondContact O-N 3.46Å; E14-R17 IonicContact OE1-CZ 3.2Å; E14-R17 IonicContact OE1-NE 3.08Å; E14-R17 PolarHBondContact OE1-NE 2.78Å; E14-R17 VanDerWaalsContact OE1-NE 3.08Å; E14-R17 IonicContact OE1-NH2 3.21Å; E14-R17 PolarHBondContact OE1-NH2 2.92Å; E14-R17 IonicContact OE2-CZ 2.9Å; E14-R17 IonicContact OE2-NE 2.98Å; E14-R17 PolarHBondContact OE2-NE 3.09Å; E14-R17 IonicContact OE2-NH1 3.66Å; E14-R17 IonicContact OE2-NH2 3.45Å; E14-R17 PolarHBondContact OE2-NH2 2.99Å; R17-R19 VanDerWaalsContact C-N 3.34Å; R17-R19 PolarHBondContact O-N 3.1Å; R17-A20 WeakPolarHBondContact O-CB 3.23Å; R17-A20 PolarHBondContact O-N 2.95Å; R17-V21 PolarHBondContact O-N 2.87Å; R17-V21 VanDerWaalsContact O-N 3.12Å; R17-I73 HydrophobicContact CB-CD1 4.43Å; R17-I73 HydrophobicContact CG-CD1 3.73Å
18Q97.8Very high97.8Very high82 Ų8252.5 Ų52.538%0.38326%0.257SS..Hα-helixtrans-60.7-44.6178.6-174.259.152.300110.9E14 M16 A20 V21 D22E14-Q18 WeakPolarHBondContact O-CB 3.36Å; E14-Q18 PolarHBondContact O-N 2.98Å; M16-Q18 VanDerWaalsContact C-N 3.33Å; M16-Q18 PolarHBondContact O-N 2.8Å; Q18-A20 VanDerWaalsContact C-N 3.32Å; Q18-A20 PolarHBondContact O-N 2.79Å; Q18-V21 PolarHBondContact O-N 2.84Å; Q18-D22 PolarHBondContact NE2-OD1 3.45Å; Q18-D22 PolarHBondContact NE2-OD2 2.96Å; Q18-D22 VanDerWaalsContact O-CG 3.25Å; Q18-D22 PolarHBondContact O-N 3.34Å
19R98.2Very high97.8Very high80 Ų8055.1 Ų55.130%0.30227%0.271SS..Hα-helixtrans-62.2-37.2177.5-173.455.7176.4152.1-0.3112.8N15 M16 R17 D22 L23 E26 F45 F49N15-R19 WeakPolarHBondContact O-CB 3.43Å; N15-R19 PolarHBondContact O-N 3.49Å; N15-R19 VanDerWaalsContact O-N 3.13Å; M16-R19 PolarHBondContact O-N 2.68Å; M16-R19 VanDerWaalsContact O-N 3.15Å; R17-R19 VanDerWaalsContact C-N 3.34Å; R17-R19 PolarHBondContact O-N 3.1Å; R19-D22 PolarHBondContact O-N 2.85Å; R19-L23 HydrophobicContact CG-CD1 4.15Å; R19-L23 WeakPolarHBondContact O-CB 3.02Å; R19-L23 WeakPolarHBondContact O-CG 3.39Å; R19-L23 PolarHBondContact O-N 3.42Å; R19-E26 IonicContact NH1-OE1 2.89Å; R19-E26 PolarHBondContact NH1-OE1 2.87Å; R19-F45 HydrophobicContact CB-CE2 4.26Å; R19-F45 HydrophobicContact CB-CZ 4.4Å; R19-F45 HydrophobicContact CG-CE2 4.03Å; R19-F49 HydrophobicContact CB-CE2 4.25Å; R19-F49 HydrophobicContact CB-CZ 4.29Å; R19-F49 HydrophobicContact CG-CE2 3.98Å; R19-F49 HydrophobicContact CG-CZ 4.28Å
20A98.6Very high97.8Very high0 Ų056.7 Ų56.70%027%0.274CS..Hα-helixtrans-62.4-45.6175.300000111.4M16 R17 Q18 A24 F45 I73 F75 L84M16-A20 PolarHBondContact O-N 2.64Å; R17-A20 WeakPolarHBondContact O-CB 3.23Å; R17-A20 PolarHBondContact O-N 2.95Å; Q18-A20 VanDerWaalsContact C-N 3.32Å; Q18-A20 PolarHBondContact O-N 2.79Å; A20-A24 WeakPolarHBondContact O-CB 3.39Å; A20-A24 PolarHBondContact O-N 3.05Å; A20-F45 VanDerWaalsContact CA-CE2 3.41Å; A20-F45 HydrophobicContact CB-CE2 3.77Å; A20-F45 HydrophobicContact CB-CZ 3.62Å; A20-I73 HydrophobicContact CB-CD1 4.24Å; A20-I73 HydrophobicContact CB-CG2 4.13Å; A20-F75 HydrophobicContact CB-CE1 4.4Å; A20-L84 HydrophobicContact CB-CD2 4.07Å
21V98.3Very high97.8Very high9 Ų956.5 Ų56.56%0.05527%0.269CS..Hα-helixtrans-65.6-42.2178.31710000111.5A5 I7 R17 Q18 A24 K25 F75A5-V21 HydrophobicContact CB-CB 4.37Å; A5-V21 HydrophobicContact CB-CG1 3.66Å; A5-V21 HydrophobicContact CB-CG2 3.72Å; I7-V21 HydrophobicContact CD1-CG2 4Å; R17-V21 PolarHBondContact O-N 2.87Å; R17-V21 VanDerWaalsContact O-N 3.12Å; Q18-V21 PolarHBondContact O-N 2.84Å; V21-A24 PolarHBondContact O-N 3.46Å; V21-K25 HydrophobicContact CG1-CD 4.21Å; V21-K25 WeakPolarHBondContact O-CG 3.38Å; V21-K25 PolarHBondContact O-N 3.01Å; V21-F75 HydrophobicContact CG2-CD2 4.33Å; V21-F75 HydrophobicContact CG2-CE2 4.13Å; V21-F75 HydrophobicContact CG2-CZ 4.34Å
22D98Very high97.7Very high54 Ų5463.2 Ų63.229%0.28930%0.299SS..Hα-helixtrans-65.5-46.1-179.9-66.8-22.9000111.5Q18 R19 A24 K25 E26Q18-D22 PolarHBondContact NE2-OD1 3.45Å; Q18-D22 PolarHBondContact NE2-OD2 2.96Å; Q18-D22 VanDerWaalsContact O-CG 3.25Å; Q18-D22 PolarHBondContact O-N 3.34Å; R19-D22 PolarHBondContact O-N 2.85Å; D22-A24 VanDerWaalsContact C-N 3.28Å; D22-A24 PolarHBondContact O-N 3.3Å; D22-K25 PolarHBondContact O-N 3.46Å; D22-E26 WeakPolarHBondContact O-CG 3.48Å; D22-E26 PolarHBondContact O-N 3.24Å
23L98.5Very high97.7Very high3 Ų365.4 Ų65.42%0.01631%0.313CS..Hα-helixtrans-61.7-36.3174.9-76.9170.4000112.5R19 A27 Y40 L41 F45R19-L23 HydrophobicContact CG-CD1 4.15Å; R19-L23 WeakPolarHBondContact O-CB 3.02Å; R19-L23 WeakPolarHBondContact O-CG 3.39Å; R19-L23 PolarHBondContact O-N 3.42Å; L23-A27 VanDerWaalsContact O-CB 3.26Å; L23-A27 WeakPolarHBondContact O-CB 3.23Å; L23-A27 PolarHBondContact O-N 3Å; L23-Y40 HydrophobicContact CD2-CD1 4.28Å; L23-Y40 HydrophobicContact CD2-CE1 3.64Å; L23-L41 HydrophobicContact CB-CG 4.28Å; L23-F45 HydrophobicContact CD1-CD2 3.57Å; L23-F45 HydrophobicContact CD1-CE2 3.89Å
24A98.4Very high97.7Very high0 Ų065.8 Ų65.80%031%0.309CS..Hα-helixtrans-68.9-38.217600000112.4A20 V21 D22 A27 L28 L41 F75 L77 W82A20-A24 WeakPolarHBondContact O-CB 3.39Å; A20-A24 PolarHBondContact O-N 3.05Å; V21-A24 PolarHBondContact O-N 3.46Å; D22-A24 VanDerWaalsContact C-N 3.28Å; D22-A24 PolarHBondContact O-N 3.3Å; A24-A27 PolarHBondContact O-N 3.45Å; A24-L28 WeakPolarHBondContact O-CG 3.11Å; A24-L28 PolarHBondContact O-N 3.4Å; A24-L41 HydrophobicContact CB-CD1 4Å; A24-F75 HydrophobicContact CB-CE2 3.84Å; A24-F75 HydrophobicContact CB-CZ 3.64Å; A24-L77 HydrophobicContact CB-CD1 3.47Å; A24-L77 VanDerWaalsContact CB-CD1 3.47Å; A24-W82 HydrophobicContact CB-CD2 3.7Å; A24-W82 HydrophobicContact CB-CE3 3.6Å; A24-W82 HydrophobicContact CB-CG 4.39Å; A24-W82 HydrophobicContact CB-CH2 3.94Å; A24-W82 HydrophobicContact CB-CZ2 4.08Å; A24-W82 HydrophobicContact CB-CZ3 3.71Å
25K97.6Very high97.7Very high63 Ų6370.3 Ų70.327%0.27432%0.321SS..Hα-helixtrans-63.1-48.6172.5-73.1171.3-179169.80111.3V21 D22 A27 L28 E29 L77V21-K25 HydrophobicContact CG1-CD 4.21Å; V21-K25 WeakPolarHBondContact O-CG 3.38Å; V21-K25 PolarHBondContact O-N 3.01Å; D22-K25 PolarHBondContact O-N 3.46Å; K25-A27 VanDerWaalsContact C-N 3.28Å; K25-A27 PolarHBondContact O-N 3.31Å; K25-L28 PolarHBondContact O-N 2.76Å; K25-E29 PolarHBondContact O-N 2.88Å; K25-L77 HydrophobicContact CG-CD1 3.97Å; K25-L77 HydrophobicContact CG-CD2 4.19Å
26E97.6Very high97.8Very high55 Ų5569.1 Ų69.126%0.25731%0.312SS..Hα-helixtrans-58.9-40.3175.8-69.5172.1-147.300111.7R19 D22 E29 K30 Y40R19-E26 IonicContact NH1-OE1 2.89Å; R19-E26 PolarHBondContact NH1-OE1 2.87Å; D22-E26 WeakPolarHBondContact O-CG 3.48Å; D22-E26 PolarHBondContact O-N 3.24Å; E26-E29 PolarHBondContact O-N 2.97Å; E26-K30 VanDerWaalsContact O-CG 3.3Å; E26-K30 WeakPolarHBondContact O-CG 3.34Å; E26-K30 PolarHBondContact O-N 2.81Å; E26-Y40 HydrophobicContact CB-CE1 3.82Å; E26-Y40 PolarHBondContact OE2-OH 3.13Å
27A98.2Very high97.8Very high0 Ų068.5 Ų68.50%031%0.309CS..Hα-helixtrans-64.1-40.3177.400000112.6L23 A24 K25 E29 K30 F31 M37 Y40 W82L23-A27 VanDerWaalsContact O-CB 3.26Å; L23-A27 WeakPolarHBondContact O-CB 3.23Å; L23-A27 PolarHBondContact O-N 3Å; A24-A27 PolarHBondContact O-N 3.45Å; K25-A27 VanDerWaalsContact C-N 3.28Å; K25-A27 PolarHBondContact O-N 3.31Å; A27-E29 PolarHBondContact O-N 2.99Å; A27-K30 PolarHBondContact O-N 3.44Å; A27-F31 HydrophobicContact CB-CD2 4.35Å; A27-F31 WeakPolarHBondContact O-CD2 3.38Å; A27-F31 PolarHBondContact O-N 3.16Å; A27-M37 HydrophobicContact CB-CB 4.15Å; A27-M37 HydrophobicContact CB-CG 4.32Å; A27-Y40 HydrophobicContact CB-CD1 3.81Å; A27-Y40 HydrophobicContact CB-CG 4.33Å; A27-W82 HydrophobicContact CB-CH2 3.74Å; A27-W82 HydrophobicContact CB-CZ3 4.2Å
28L96.5Very high97.8Very high43 Ų4365.4 Ų65.423%0.22530%0.3CS..Hα-helixtrans-64.8-25.9175.8-75.3170.7000113.6A24 K25 M37 L77 E80 W82A24-L28 WeakPolarHBondContact O-CG 3.11Å; A24-L28 PolarHBondContact O-N 3.4Å; K25-L28 PolarHBondContact O-N 2.76Å; L28-M37 HydrophobicContact CD2-CE 4.02Å; L28-M37 HydrophobicContact CD2-SD 4Å; L28-L77 HydrophobicContact CD1-CB 3.64Å; L28-L77 HydrophobicContact CD1-CD1 3.9Å; L28-L77 HydrophobicContact CD1-CG 4.39Å; L28-E80 HydrophobicContact CD2-CG 3.93Å; L28-W82 HydrophobicContact CD1-CZ2 4.17Å; L28-W82 HydrophobicContact CD2-CZ2 3.88Å; L28-W82 HydrophobicContact CG-CH2 4.4Å; L28-W82 HydrophobicContact CG-CZ2 3.7Å
29E96.1Very high97.9Very high166 Ų16663.7 Ų63.778%0.77630%0.297SS*.Hα-helixtrans-83-26.6177.1-68.8174.8179.500112.3K25 E26 A27K25-E29 PolarHBondContact O-N 2.88Å; E26-E29 PolarHBondContact O-N 2.97Å; A27-E29 PolarHBondContact O-N 2.99Å
30K97.5Very high97.9Very high123 Ų12362.3 Ų62.354%0.53529%0.293SS..Hα-helixtrans-98.8-28.9-172.2-70.8175.4-175.7-179.20114.4E26 A27 Y40E26-K30 VanDerWaalsContact O-CG 3.3Å; E26-K30 WeakPolarHBondContact O-CG 3.34Å; E26-K30 PolarHBondContact O-N 2.81Å; A27-K30 PolarHBondContact O-N 3.44Å; K30-Y40 HydrophobicContact CD-CE2 4.16Å; K30-Y40 PolarHBondContact NZ-OH 3.27Å
31F97.7Very high97.9Very high60 Ų6062.3 Ų62.326%0.26329%0.293SS..  trans-130.1148.8-169.5-52.8-71.3000111A27 E36 M37 Y40A27-F31 HydrophobicContact CB-CD2 4.35Å; A27-F31 WeakPolarHBondContact O-CD2 3.38Å; A27-F31 PolarHBondContact O-N 3.16Å; F31-E36 HydrophobicContact CB-CB 3.96Å; F31-E36 HydrophobicContact CD1-CB 3.71Å; F31-E36 WeakPolarHBondContact CD1-OE2 3.48Å; F31-E36 HydrophobicContact CE1-CB 4.38Å; F31-E36 HydrophobicContact CG-CB 3.81Å; F31-M37 HydrophobicContact CB-CG 3.88Å; F31-M37 WeakPolarHBondContact O-CE 3.29Å; F31-Y40 AromaticContact CE2-CD2 3.54Å; F31-Y40 HydrophobicContact CE2-CD2 3.54Å; F31-Y40 HydrophobicContact CE2-CE2 4.32Å; F31-Y40 AromaticContact CE2-CG 3.69Å; F31-Y40 HydrophobicContact CE2-CG 3.69Å; F31-Y40 AromaticContact CZ-CD2 3.96Å; F31-Y40 HydrophobicContact CZ-CD2 3.96Å; F31-Y40 HydrophobicContact CZ-CG 4.48Å
32E95.9Very high97.9Very high186 Ų18665 Ų6587%0.86930%0.303SS*.SBendtrans-103.5-22.9171.6-63.2-171.7161.300112.1
33V97.7Very high98Very high66 Ų6668.1 Ų68.140%0.431%0.314SS..SBendtrans-93125.2-176.3-179.10000110.2R35 E36 M37V33-R35 HydrophobicContact CG1-CB 4.1Å; V33-R35 PolarHBondContact O-N 3.29Å; V33-R35 VanDerWaalsContact O-N 3.14Å; V33-E36 HydrophobicContact CB-CB 4.47Å; V33-E36 HydrophobicContact CB-CG 4.09Å; V33-E36 HydrophobicContact CG1-CG 4.41Å; V33-E36 WeakPolarHBondContact O-CB 3.45Å; V33-E36 PolarHBondContact O-N 3.07Å; V33-M37 PolarHBondContact O-N 2.79Å; V33-M37 VanDerWaalsContact O-N 3.15Å
34E98Very high98Very high78 Ų7868.2 Ų68.236%0.36432%0.317SS..Hα-helixtrans-58.7-33.7-175.7-62.389.7159.300112.5E36 M37 A38 V57E34-E36 VanDerWaalsContact C-N 3.32Å; E34-E36 PolarHBondContact O-N 2.87Å; E34-M37 WeakPolarHBondContact O-CB 3.39Å; E34-M37 PolarHBondContact O-N 2.97Å; E34-A38 WeakPolarHBondContact O-CB 3.5Å; E34-A38 PolarHBondContact O-N 3.29Å; E34-V57 HydrophobicContact CB-CB 4.26Å; E34-V57 HydrophobicContact CB-CG1 4.22Å; E34-V57 HydrophobicContact CG-CG1 4.32Å
35R98.2Very high98Very high198 Ų19868.2 Ų68.275%0.74732%0.317SS*.Hα-helixtrans-61.9-39.4175.6-173-177.967.7177.5-0.6112.3V33 S39V33-R35 HydrophobicContact CG1-CB 4.1Å; V33-R35 PolarHBondContact O-N 3.29Å; V33-R35 VanDerWaalsContact O-N 3.14Å; R35-S39 WeakPolarHBondContact O-CB 3.43Å; R35-S39 PolarHBondContact O-N 3.15Å
36E98.6Very high98Very high85 Ų8567.3 Ų67.340%0.39731%0.313SS..Hα-helixtrans-72.3-40.3179.2-63.1-176.9159.200110.6F31 V33 E34 S39 Y40F31-E36 HydrophobicContact CB-CB 3.96Å; F31-E36 HydrophobicContact CD1-CB 3.71Å; F31-E36 WeakPolarHBondContact CD1-OE2 3.48Å; F31-E36 HydrophobicContact CE1-CB 4.38Å; F31-E36 HydrophobicContact CG-CB 3.81Å; V33-E36 HydrophobicContact CB-CB 4.47Å; V33-E36 HydrophobicContact CB-CG 4.09Å; V33-E36 HydrophobicContact CG1-CG 4.41Å; V33-E36 WeakPolarHBondContact O-CB 3.45Å; V33-E36 PolarHBondContact O-N 3.07Å; E34-E36 VanDerWaalsContact C-N 3.32Å; E34-E36 PolarHBondContact O-N 2.87Å; E36-S39 PolarHBondContact O-N 3.39Å; E36-Y40 WeakPolarHBondContact O-CB 3.29Å; E36-Y40 PolarHBondContact O-N 3.04Å
37M98.6Very high98Very high9 Ų972.5 Ų72.54%0.04434%0.337CS..Hα-helixtrans-57.6-49.8172.3-64.7176.9-171.400112.1A27 L28 F31 V33 E34 S39 Y40 L41 V57 W82A27-M37 HydrophobicContact CB-CB 4.15Å; A27-M37 HydrophobicContact CB-CG 4.32Å; L28-M37 HydrophobicContact CD2-CE 4.02Å; L28-M37 HydrophobicContact CD2-SD 4Å; F31-M37 HydrophobicContact CB-CG 3.88Å; F31-M37 WeakPolarHBondContact O-CE 3.29Å; V33-M37 PolarHBondContact O-N 2.79Å; V33-M37 VanDerWaalsContact O-N 3.15Å; E34-M37 WeakPolarHBondContact O-CB 3.39Å; E34-M37 PolarHBondContact O-N 2.97Å; M37-S39 VanDerWaalsContact C-N 3.34Å; M37-S39 PolarHBondContact O-N 2.91Å; M37-Y40 WeakPolarHBondContact O-CB 3.26Å; M37-Y40 PolarHBondContact O-N 3.04Å; M37-L41 PolarHBondContact O-N 2.84Å; M37-L41 VanDerWaalsContact O-N 3.11Å; M37-V57 HydrophobicContact CB-CG1 4.46Å; M37-V57 HydrophobicContact CB-CG2 4.43Å; M37-V57 HydrophobicContact SD-CG1 4.22Å; M37-W82 HydrophobicContact CB-CH2 3.72Å; M37-W82 HydrophobicContact CB-CZ3 4.15Å; M37-W82 HydrophobicContact CG-CH2 4.25Å; M37-W82 HydrophobicContact SD-CH2 4.18Å; M37-W82 HydrophobicContact SD-CZ2 4.23Å
38A98.8Very high98Very high13 Ų1376.2 Ų76.211%0.10736%0.36CS..Hα-helixtrans-60.9-43.4177.700000111.6E34 Y40 K42 C55 V57E34-A38 WeakPolarHBondContact O-CB 3.5Å; E34-A38 PolarHBondContact O-N 3.29Å; A38-Y40 VanDerWaalsContact C-N 3.33Å; A38-Y40 PolarHBondContact O-N 2.93Å; A38-K42 VanDerWaalsContact O-CB 3.31Å; A38-K42 WeakPolarHBondContact O-CB 3.38Å; A38-K42 PolarHBondContact O-N 2.87Å; A38-C55 HydrophobicContact CB-CB 4.31Å; A38-C55 WeakPolarHBondContact O-CB 3.31Å; A38-V57 HydrophobicContact CB-CB 4.36Å; A38-V57 HydrophobicContact CB-CG2 3.85Å
39S98.7Very high98Very high46 Ų4676.8 Ų76.832%0.32236%0.361SS..Hα-helixtrans-62.1-39.4175.4174.60000112.2R35 E36 M37 K43R35-S39 WeakPolarHBondContact O-CB 3.43Å; R35-S39 PolarHBondContact O-N 3.15Å; E36-S39 PolarHBondContact O-N 3.39Å; M37-S39 VanDerWaalsContact C-N 3.34Å; M37-S39 PolarHBondContact O-N 2.91Å; S39-K43 WeakPolarHBondContact O-CB 3.26Å; S39-K43 VanDerWaalsContact O-CG 3.26Å; S39-K43 WeakPolarHBondContact O-CG 3.37Å; S39-K43 PolarHBondContact O-N 3.42Å; S39-K43 WeakPolarHBondContact OG-CE 3.37Å
40Y98.8Very high98Very high52 Ų5270.1 Ų70.120%0.20434%0.337CS..Hα-helixtrans-63.2-50.9-179.9-176.8-96.6000111.1L23 E26 A27 K30 F31 E36 M37 A38 K43 G44L23-Y40 HydrophobicContact CD2-CD1 4.28Å; L23-Y40 HydrophobicContact CD2-CE1 3.64Å; E26-Y40 HydrophobicContact CB-CE1 3.82Å; E26-Y40 PolarHBondContact OE2-OH 3.13Å; A27-Y40 HydrophobicContact CB-CD1 3.81Å; A27-Y40 HydrophobicContact CB-CG 4.33Å; K30-Y40 HydrophobicContact CD-CE2 4.16Å; K30-Y40 PolarHBondContact NZ-OH 3.27Å; F31-Y40 AromaticContact CE2-CD2 3.54Å; F31-Y40 HydrophobicContact CE2-CD2 3.54Å; F31-Y40 HydrophobicContact CE2-CE2 4.32Å; F31-Y40 AromaticContact CE2-CG 3.69Å; F31-Y40 HydrophobicContact CE2-CG 3.69Å; F31-Y40 AromaticContact CZ-CD2 3.96Å; F31-Y40 HydrophobicContact CZ-CD2 3.96Å; F31-Y40 HydrophobicContact CZ-CG 4.48Å; E36-Y40 WeakPolarHBondContact O-CB 3.29Å; E36-Y40 PolarHBondContact O-N 3.04Å; M37-Y40 WeakPolarHBondContact O-CB 3.26Å; M37-Y40 PolarHBondContact O-N 3.04Å; A38-Y40 VanDerWaalsContact C-N 3.33Å; A38-Y40 PolarHBondContact O-N 2.93Å; Y40-K43 PolarHBondContact O-N 3.08Å; Y40-G44 PolarHBondContact O-N 3.15Å
41L98.8Very high98Very high0 Ų069 Ų690%034%0.342CS..Hα-helixtrans-64-46.2-179.6-177.4161000111.5L23 A24 M37 K43 G44 F45 C55 W82 L84L23-L41 HydrophobicContact CB-CG 4.28Å; A24-L41 HydrophobicContact CB-CD1 4Å; M37-L41 PolarHBondContact O-N 2.84Å; M37-L41 VanDerWaalsContact O-N 3.11Å; L41-K43 PolarHBondContact O-N 2.89Å; L41-G44 PolarHBondContact O-N 2.86Å; L41-F45 HydrophobicContact CD2-CD2 4.32Å; L41-F45 PolarHBondContact O-N 2.94Å; L41-C55 HydrophobicContact CD2-CB 4.16Å; L41-W82 HydrophobicContact CB-CZ3 4.4Å; L41-W82 HydrophobicContact CD1-CE3 3.63Å; L41-W82 HydrophobicContact CD1-CZ3 3.94Å; L41-L84 HydrophobicContact CD2-CB 4.07Å; L41-L84 HydrophobicContact CD2-CD1 3.37Å; L41-L84 HydrophobicContact CD2-CD2 3.52Å; L41-L84 HydrophobicContact CD2-CG 3.81Å
42K98.8Very high97.8Very high65 Ų6569.9 Ų69.928%0.28335%0.353SS..Hα-helixtrans-54.1-52.6175.4177.1-175.8-179.3-55.50111.3A38 G44 F45 E46 W53 C55A38-K42 VanDerWaalsContact O-CB 3.31Å; A38-K42 WeakPolarHBondContact O-CB 3.38Å; A38-K42 PolarHBondContact O-N 2.87Å; K42-G44 PolarHBondContact O-N 3.44Å; K42-F45 PolarHBondContact O-N 3.11Å; K42-E46 HydrophobicContact CG-CG 4.47Å; K42-E46 IonicContact NZ-OE1 2.64Å; K42-E46 PolarHBondContact NZ-OE1 3.07Å; K42-E46 IonicContact NZ-OE2 2.68Å; K42-E46 PolarHBondContact NZ-OE2 2.98Å; K42-E46 WeakPolarHBondContact O-CG 3.36Å; K42-E46 PolarHBondContact O-N 3.19Å; K42-W53 WeakPolarHBondContact CD-O 3.27Å; K42-W53 WeakPolarHBondContact CE-O 3.4Å; K42-W53 HydrophobicContact CG-CB 4.36Å; K42-W53 WeakPolarHBondContact CG-O 3.38Å; K42-C55 HydrophobicContact CB-CB 4.07Å
43K98.5Very high97.9Very high119 Ų11961.1 Ų61.152%0.51731%0.312SS..Hα-helixtrans-62-42.7-178.8-74.2175.7-178.4177.80111.9S39 Y40 L41 F45 E46 Q47S39-K43 WeakPolarHBondContact O-CB 3.26Å; S39-K43 VanDerWaalsContact O-CG 3.26Å; S39-K43 WeakPolarHBondContact O-CG 3.37Å; S39-K43 PolarHBondContact O-N 3.42Å; S39-K43 WeakPolarHBondContact OG-CE 3.37Å; Y40-K43 PolarHBondContact O-N 3.08Å; L41-K43 PolarHBondContact O-N 2.89Å; K43-F45 VanDerWaalsContact C-N 3.32Å; K43-F45 PolarHBondContact O-N 3.14Å; K43-E46 PolarHBondContact O-N 2.88Å; K43-Q47 WeakPolarHBondContact O-CB 3.22Å; K43-Q47 VanDerWaalsContact O-CG 3.22Å; K43-Q47 WeakPolarHBondContact O-CG 3.45Å; K43-Q47 PolarHBondContact O-N 3.37Å
44G98.4Very high98Very high6 Ų661.4 Ų61.46%0.06231%0.308CS..Hα-helixtrans-62.6-38.3177.300000112.8Y40 L41 K42 T48Y40-G44 PolarHBondContact O-N 3.15Å; L41-G44 PolarHBondContact O-N 2.86Å; K42-G44 PolarHBondContact O-N 3.44Å; G44-T48 PolarHBondContact O-N 3.03Å; G44-T48 PolarHBondContact O-OG1 3.45Å
45F98.3Very high98Very high0 Ų058.8 Ų58.80%030%0.299CS..Hα-helixtrans-69.9-42.6174.3-103.5-109.9000112.9M16 R19 A20 L23 L41 K42 K43 Q47 T48 F49 W53 L84M16-F45 HydrophobicContact CE-CE1 4.07Å; M16-F45 WeakPolarHBondContact O-CZ 3.49Å; R19-F45 HydrophobicContact CB-CE2 4.26Å; R19-F45 HydrophobicContact CB-CZ 4.4Å; R19-F45 HydrophobicContact CG-CE2 4.03Å; A20-F45 VanDerWaalsContact CA-CE2 3.41Å; A20-F45 HydrophobicContact CB-CE2 3.77Å; A20-F45 HydrophobicContact CB-CZ 3.62Å; L23-F45 HydrophobicContact CD1-CD2 3.57Å; L23-F45 HydrophobicContact CD1-CE2 3.89Å; L41-F45 HydrophobicContact CD2-CD2 4.32Å; L41-F45 PolarHBondContact O-N 2.94Å; K42-F45 PolarHBondContact O-N 3.11Å; K43-F45 VanDerWaalsContact C-N 3.32Å; K43-F45 PolarHBondContact O-N 3.14Å; F45-Q47 VanDerWaalsContact C-N 3.3Å; F45-Q47 PolarHBondContact O-N 3.03Å; F45-T48 PolarHBondContact O-N 3.49Å; F45-T48 VanDerWaalsContact O-N 3.16Å; F45-F49 HydrophobicContact CB-CD2 4.44Å; F45-F49 AromaticContact CD1-CD2 3.41Å; F45-F49 HydrophobicContact CD1-CD2 3.41Å; F45-F49 VanDerWaalsContact CD1-CD2 3.41Å; F45-F49 AromaticContact CD1-CE2 3.9Å; F45-F49 HydrophobicContact CD1-CE2 3.9Å; F45-F49 HydrophobicContact CD1-CG 4.42Å; F45-F49 HydrophobicContact CD2-CD2 4.42Å; F45-F49 HydrophobicContact CD2-CE2 4.38Å; F45-F49 AromaticContact CE1-CD2 3.57Å; F45-F49 HydrophobicContact CE1-CD2 3.57Å; F45-F49 AromaticContact CE1-CE2 3.63Å; F45-F49 HydrophobicContact CE1-CE2 3.63Å; F45-F49 HydrophobicContact CE2-CD2 4.49Å; F45-F49 HydrophobicContact CE2-CE2 4.08Å; F45-F49 AromaticContact CG-CD2 3.88Å; F45-F49 HydrophobicContact CG-CD2 3.88Å; F45-F49 HydrophobicContact CG-CE2 4.27Å; F45-F49 HydrophobicContact CZ-CD2 4.11Å; F45-F49 AromaticContact CZ-CE2 3.71Å; F45-F49 HydrophobicContact CZ-CE2 3.71Å; F45-F49 WeakPolarHBondContact O-CA 3.42Å; F45-F49 WeakPolarHBondContact O-CB 3.31Å; F45-F49 PolarHBondContact O-N 3.35Å; F45-W53 HydrophobicContact CB-CD2 4.14Å; F45-W53 HydrophobicContact CB-CG 3.94Å; F45-W53 AromaticContact CD1-CD2 3.78Å; F45-W53 HydrophobicContact CD1-CD2 3.78Å; F45-W53 AromaticContact CD1-CE2 3.58Å; F45-W53 AromaticContact CD1-CE3 3.98Å; F45-W53 HydrophobicContact CD1-CE3 3.98Å; F45-W53 HydrophobicContact CD1-CG 4.47Å; F45-W53 AromaticContact CD1-CH2 3.87Å; F45-W53 HydrophobicContact CD1-CH2 3.87Å; F45-W53 AromaticContact CD1-CZ2 3.65Å; F45-W53 HydrophobicContact CD1-CZ2 3.65Å; F45-W53 HydrophobicContact CD1-CZ3 4.02Å; F45-W53 HydrophobicContact CE1-CH2 4.02Å; F45-W53 HydrophobicContact CE1-CZ2 4.14Å; F45-W53 HydrophobicContact CE1-CZ3 4.28Å; F45-W53 HydrophobicContact CG-CD2 4.38Å; F45-L84 HydrophobicContact CD1-CD2 3.57Å; F45-L84 HydrophobicContact CD2-CD2 3.85Å; F45-L84 HydrophobicContact CE1-CD2 3.52Å; F45-L84 HydrophobicContact CE2-CD2 3.84Å; F45-L84 HydrophobicContact CG-CD2 3.74Å; F45-L84 HydrophobicContact CZ-CD2 3.66Å
46E98.1Very high98Very high43 Ų4352.7 Ų52.720%0.20128%0.28CS..Hα-helixtrans-64.1-36.5177.4-73.3178.814600112.6K42 K43 T48 G50 W53K42-E46 HydrophobicContact CG-CG 4.47Å; K42-E46 IonicContact NZ-OE1 2.64Å; K42-E46 PolarHBondContact NZ-OE1 3.07Å; K42-E46 IonicContact NZ-OE2 2.68Å; K42-E46 PolarHBondContact NZ-OE2 2.98Å; K42-E46 WeakPolarHBondContact O-CG 3.36Å; K42-E46 PolarHBondContact O-N 3.19Å; K43-E46 PolarHBondContact O-N 2.88Å; E46-T48 VanDerWaalsContact C-N 3.3Å; E46-T48 PolarHBondContact O-N 2.9Å; E46-G50 CarbonylContact O-C 3.48Å; E46-G50 VanDerWaalsContact O-CA 3.23Å; E46-G50 WeakPolarHBondContact O-CA 3.49Å; E46-G50 PolarHBondContact O-N 3.35Å; E46-G50 VanDerWaalsContact O-N 3.1Å; E46-W53 HydrophobicContact CG-CB 4.12Å; E46-W53 HydrophobicContact CG-CG 4.33Å; E46-W53 PolarHBondContact OE1-N 3.31Å
47Q98.1Very high98Very high164 Ų16449.5 Ų49.577%0.76627%0.267SS*.Hα-helixtrans-65.2-33.5174.5-74.4170.52.400112.6K43 F45K43-Q47 WeakPolarHBondContact O-CB 3.22Å; K43-Q47 VanDerWaalsContact O-CG 3.22Å; K43-Q47 WeakPolarHBondContact O-CG 3.45Å; K43-Q47 PolarHBondContact O-N 3.37Å; F45-Q47 VanDerWaalsContact C-N 3.3Å; F45-Q47 PolarHBondContact O-N 3.03Å
48T97.6Very high98Very high78 Ų7849.6 Ų49.648%0.47927%0.269SS..Hα-helixtrans-95.9-38.1-172.5-48.40000112.8G44 F45 E46G44-T48 PolarHBondContact O-N 3.03Å; G44-T48 PolarHBondContact O-OG1 3.45Å; F45-T48 PolarHBondContact O-N 3.49Å; F45-T48 VanDerWaalsContact O-N 3.16Å; E46-T48 VanDerWaalsContact C-N 3.3Å; E46-T48 PolarHBondContact O-N 2.9Å
49F97Very high97.8Very high55 Ų5556.3 Ų56.324%0.24129%0.292CS..Hα-helixtrans-124.113.1-169.1-52.9-66.9000113M16 R19 F45 W53 K86M16-F49 HydrophobicContact CB-CZ 4.37Å; M16-F49 HydrophobicContact CE-CB 4.36Å; M16-F49 HydrophobicContact CE-CD1 4.15Å; M16-F49 HydrophobicContact CE-CD2 4.21Å; M16-F49 HydrophobicContact CE-CG 3.99Å; M16-F49 HydrophobicContact CG-CD1 4.15Å; M16-F49 HydrophobicContact CG-CE1 3.63Å; M16-F49 HydrophobicContact CG-CE2 4.3Å; M16-F49 HydrophobicContact CG-CZ 3.72Å; M16-F49 HydrophobicContact SD-CD1 4.3Å; M16-F49 HydrophobicContact SD-CE1 4.35Å; R19-F49 HydrophobicContact CB-CE2 4.25Å; R19-F49 HydrophobicContact CB-CZ 4.29Å; R19-F49 HydrophobicContact CG-CE2 3.98Å; R19-F49 HydrophobicContact CG-CZ 4.28Å; F45-F49 HydrophobicContact CB-CD2 4.44Å; F45-F49 AromaticContact CD1-CD2 3.41Å; F45-F49 HydrophobicContact CD1-CD2 3.41Å; F45-F49 VanDerWaalsContact CD1-CD2 3.41Å; F45-F49 AromaticContact CD1-CE2 3.9Å; F45-F49 HydrophobicContact CD1-CE2 3.9Å; F45-F49 HydrophobicContact CD1-CG 4.42Å; F45-F49 HydrophobicContact CD2-CD2 4.42Å; F45-F49 HydrophobicContact CD2-CE2 4.38Å; F45-F49 AromaticContact CE1-CD2 3.57Å; F45-F49 HydrophobicContact CE1-CD2 3.57Å; F45-F49 AromaticContact CE1-CE2 3.63Å; F45-F49 HydrophobicContact CE1-CE2 3.63Å; F45-F49 HydrophobicContact CE2-CD2 4.49Å; F45-F49 HydrophobicContact CE2-CE2 4.08Å; F45-F49 AromaticContact CG-CD2 3.88Å; F45-F49 HydrophobicContact CG-CD2 3.88Å; F45-F49 HydrophobicContact CG-CE2 4.27Å; F45-F49 HydrophobicContact CZ-CD2 4.11Å; F45-F49 AromaticContact CZ-CE2 3.71Å; F45-F49 HydrophobicContact CZ-CE2 3.71Å; F45-F49 WeakPolarHBondContact O-CA 3.42Å; F45-F49 WeakPolarHBondContact O-CB 3.31Å; F45-F49 PolarHBondContact O-N 3.35Å; F49-W53 HydrophobicContact CB-CZ2 4.07Å; F49-K86 PolarHBondContact O-NZ 3.09Å; F49-K86 VanDerWaalsContact O-NZ 3.14Å
50G96.4Very high97.6Very high27 Ų2763.4 Ų63.428%0.27832%0.32SS..  trans74.6168.9178.200000114.6E46 W53E46-G50 CarbonylContact O-C 3.48Å; E46-G50 VanDerWaalsContact O-CA 3.23Å; E46-G50 WeakPolarHBondContact O-CA 3.49Å; E46-G50 PolarHBondContact O-N 3.35Å; E46-G50 VanDerWaalsContact O-N 3.1Å; G50-W53 PolarHBondContact O-NE1 3.47Å; G50-W53 VanDerWaalsContact O-NE1 3.09Å
51P96.1Very high97.5Very high98 Ų9863.3 Ų63.364%0.63632%0.321SS*.SBendtrans-68.8164.5174.932.1-36.2000111.7K86P51-K86 WeakPolarHBondContact O-CE 3.3Å; P51-K86 PolarHBondContact O-NZ 3.18Å
52T95.1Very high97.2Very high80 Ų8069.2 Ų69.249%0.49136%0.362SS..  cis-117116.3-8.4-50.10000108.4
53W98.3Very high97Very high1 Ų168.5 Ų68.50%0.00437%0.365CS..EExtended strand (participates in β ladder)trans-97.2146.3-178.5-71.890.5000111.6M12 M16 K42 F45 E46 F49 G50 L84 K86M12-W53 HydrophobicContact CE-CH2 4.37Å; M12-W53 HydrophobicContact CE-CZ3 4.26Å; M16-W53 HydrophobicContact CE-CH2 3.53Å; M16-W53 HydrophobicContact CE-CZ2 3.58Å; K42-W53 WeakPolarHBondContact CD-O 3.27Å; K42-W53 WeakPolarHBondContact CE-O 3.4Å; K42-W53 HydrophobicContact CG-CB 4.36Å; K42-W53 WeakPolarHBondContact CG-O 3.38Å; F45-W53 HydrophobicContact CB-CD2 4.14Å; F45-W53 HydrophobicContact CB-CG 3.94Å; F45-W53 AromaticContact CD1-CD2 3.78Å; F45-W53 HydrophobicContact CD1-CD2 3.78Å; F45-W53 AromaticContact CD1-CE2 3.58Å; F45-W53 AromaticContact CD1-CE3 3.98Å; F45-W53 HydrophobicContact CD1-CE3 3.98Å; F45-W53 HydrophobicContact CD1-CG 4.47Å; F45-W53 AromaticContact CD1-CH2 3.87Å; F45-W53 HydrophobicContact CD1-CH2 3.87Å; F45-W53 AromaticContact CD1-CZ2 3.65Å; F45-W53 HydrophobicContact CD1-CZ2 3.65Å; F45-W53 HydrophobicContact CD1-CZ3 4.02Å; F45-W53 HydrophobicContact CE1-CH2 4.02Å; F45-W53 HydrophobicContact CE1-CZ2 4.14Å; F45-W53 HydrophobicContact CE1-CZ3 4.28Å; F45-W53 HydrophobicContact CG-CD2 4.38Å; E46-W53 HydrophobicContact CG-CB 4.12Å; E46-W53 HydrophobicContact CG-CG 4.33Å; E46-W53 PolarHBondContact OE1-N 3.31Å; F49-W53 HydrophobicContact CB-CZ2 4.07Å; G50-W53 PolarHBondContact O-NE1 3.47Å; G50-W53 VanDerWaalsContact O-NE1 3.09Å; W53-L84 HydrophobicContact CB-CD1 4.08Å; W53-L84 HydrophobicContact CD2-CD1 4.19Å; W53-L84 HydrophobicContact CE3-CD1 3.57Å; W53-L84 HydrophobicContact CE3-CD2 4.19Å; W53-L84 HydrophobicContact CE3-CG 3.66Å; W53-L84 HydrophobicContact CG-CD1 4.43Å; W53-L84 HydrophobicContact CZ3-CD1 4.38Å; W53-L84 HydrophobicContact CZ3-CD2 4.27Å; W53-L84 HydrophobicContact CZ3-CG 3.97Å; W53-K86 HydrophobicContact CD2-CD 4.13Å; W53-K86 HydrophobicContact CD2-CG 3.5Å; W53-K86 VanDerWaalsContact CD2-CG 3.5Å; W53-K86 HydrophobicContact CE3-CG 3.65Å; W53-K86 HydrophobicContact CG-CG 4.05Å; W53-K86 HydrophobicContact CH2-CD 4.12Å; W53-K86 HydrophobicContact CH2-CG 3.95Å; W53-K86 HydrophobicContact CZ2-CD 3.65Å; W53-K86 HydrophobicContact CZ2-CG 3.81Å; W53-K86 HydrophobicContact CZ3-CG 3.88Å; W53-K86 VanDerWaalsContact NE1-CE 3.34Å
54H98.4Very high96.8Very high72 Ų7273.9 Ų73.933%0.33338%0.384SS..EExtended strand (participates in β ladder)trans-112.5134.4171.4-59.7-83.3000109.1L84 F85 S87H54-L84 WeakPolarHBondContact O-CA 3.45Å; H54-L84 WeakPolarHBondContact O-CD1 3.33Å; H54-F85 HydrophobicContact CB-CD1 4.13Å; H54-F85 HydrophobicContact CB-CD2 4.4Å; H54-F85 HydrophobicContact CB-CE1 3.7Å; H54-F85 HydrophobicContact CB-CE2 3.99Å; H54-F85 HydrophobicContact CB-CG 4.45Å; H54-F85 HydrophobicContact CB-CZ 3.62Å; H54-F85 AromaticContact CD2-CE2 3.87Å; H54-F85 PolarHBondContact N-O 2.93Å; H54-F85 PolarHBondContact O-N 3.24Å; H54-S87 PolarHBondContact NE2-OG 3.26Å; H54-S87 VanDerWaalsContact NE2-OG 3.13Å
55C98.6Very high96.6Very high23 Ų2375.7 Ų75.716%0.15539%0.394CS..EExtended strand (participates in β ladder)trans-131.2131.3177.9-172.90000110.5A38 L41 K42 L83 L84A38-C55 HydrophobicContact CB-CB 4.31Å; A38-C55 WeakPolarHBondContact O-CB 3.31Å; L41-C55 HydrophobicContact CD2-CB 4.16Å; K42-C55 HydrophobicContact CB-CB 4.07Å; C55-L83 CarbonylContact C-O 3.36Å; C55-L83 VanDerWaalsContact CA-O 3.29Å; C55-L83 WeakPolarHBondContact CA-O 3.4Å; C55-L84 HydrophobicContact CB-CD1 4.21Å
56I98.5Very high96.5Very high71 Ų7181 Ų8136%0.36443%0.426SS..EExtended strand (participates in β ladder)trans-124.1129.4175.4-50.5-175000107.7F61 L83I56-F61 HydrophobicContact CG2-CD1 4.33Å; I56-F61 HydrophobicContact CG2-CE1 4.38Å; I56-F61 HydrophobicContact CG2-CG 4.38Å; I56-L83 HydrophobicContact CB-CB 4.24Å; I56-L83 HydrophobicContact CD1-CD2 4.1Å; I56-L83 HydrophobicContact CG1-CD2 4.47Å; I56-L83 PolarHBondContact N-O 2.92Å; I56-L83 PolarHBondContact O-N 2.9Å
57V98.6Very high96.4Very high18 Ų1882 Ų8211%0.10943%0.431CS..EExtended strand (participates in β ladder)trans-126.5134.4176.2-177.60000108.2E34 M37 A38 E80 A81 W82E34-V57 HydrophobicContact CB-CB 4.26Å; E34-V57 HydrophobicContact CB-CG1 4.22Å; E34-V57 HydrophobicContact CG-CG1 4.32Å; M37-V57 HydrophobicContact CB-CG1 4.46Å; M37-V57 HydrophobicContact CB-CG2 4.43Å; M37-V57 HydrophobicContact SD-CG1 4.22Å; A38-V57 HydrophobicContact CB-CB 4.36Å; A38-V57 HydrophobicContact CB-CG2 3.85Å; V57-E80 HydrophobicContact CG1-CB 4.42Å; V57-A81 WeakPolarHBondContact CA-O 3.32Å; V57-W82 HydrophobicContact CG1-CD2 4.24Å; V57-W82 HydrophobicContact CG1-CE3 4.4Å; V57-W82 HydrophobicContact CG1-CH2 4.3Å; V57-W82 HydrophobicContact CG1-CZ2 4.07Å; V57-W82 HydrophobicContact CG1-CZ3 4.45Å; V57-W82 HydrophobicContact CG2-CD2 3.9Å; V57-W82 HydrophobicContact CG2-CE3 3.36Å; V57-W82 HydrophobicContact CG2-CH2 4.16Å; V57-W82 HydrophobicContact CG2-CZ3 3.53Å
58G97.7Very high96.3Very high10 Ų1078.5 Ų78.510%0.10342%0.415CS..EExtended strand (participates in β ladder)trans170.3166.5173.800000113.3F61 A81G58-F61 WeakPolarHBondContact O-CE1 3.48Å; G58-A81 PolarHBondContact N-O 3.12Å; G58-A81 VanDerWaalsContact O-CB 3.27Å; G58-A81 WeakPolarHBondContact O-CB 3.48Å; G58-A81 PolarHBondContact O-N 3.2Å
59R95.6Very high96.2Very high155 Ų15581.6 Ų81.659%0.58543%0.428SS*.SBendtrans-83.9-28.1-179.1-57.2-175.7178.3153.58.3113.5E80R59-E80 WeakPolarHBondContact CG-OE2 3.16Å; R59-E80 IonicContact CZ-OE1 3.63Å; R59-E80 IonicContact NE-OE1 2.75Å; R59-E80 PolarHBondContact NE-OE1 3.41Å; R59-E80 IonicContact NE-OE2 2.65Å; R59-E80 IonicContact NH2-OE1 2.79Å; R59-E80 PolarHBondContact NH2-OE1 3.28Å
60Q93.6Very high96.2Very high194 Ų19479.8 Ų79.891%0.90743%0.425SS*.SBendtrans-135.590.4-173-67.7-177.9-47.400109.2
61F96.4Very high96.3Very high50 Ų5079 Ų7922%0.21942%0.415CS..  trans-144.6160.9167.367.1-96.2000110.4I56 G58 Y74 A81 L83I56-F61 HydrophobicContact CG2-CD1 4.33Å; I56-F61 HydrophobicContact CG2-CE1 4.38Å; I56-F61 HydrophobicContact CG2-CG 4.38Å; G58-F61 WeakPolarHBondContact O-CE1 3.48Å; F61-Y74 HydrophobicContact CE2-CD2 4.41Å; F61-Y74 AromaticContact CE2-CE2 3.83Å; F61-Y74 HydrophobicContact CE2-CE2 3.83Å; F61-Y74 HydrophobicContact CZ-CD2 4.26Å; F61-Y74 AromaticContact CZ-CE2 3.62Å; F61-Y74 HydrophobicContact CZ-CE2 3.62Å; F61-A81 HydrophobicContact CE1-CB 3.61Å; F61-A81 HydrophobicContact CZ-CB 3.89Å; F61-L83 HydrophobicContact CE2-CB 3.99Å; F61-L83 HydrophobicContact CE2-CD2 4.28Å; F61-L83 HydrophobicContact CZ-CB 3.94Å
62S94Very high96.4Very high125 Ų12575.3 Ų75.387%0.87439%0.389SS*.  trans-128.7145.9166.2-66.40000107
63S93.8Very high96.6Very high49 Ų4971.5 Ų71.534%0.34337%0.365SS..  trans-135.9143.5-176.164.60000110.2L83S63-L83 WeakPolarHBondContact OG-CD2 2.97Å
64Y94.3Very high96.6Very high232 Ų23273.1 Ų73.191%0.9137%0.372SS*.  trans-139.799169.3-170-90.6000106.1
65V94.9Very high96.6Very high44 Ų4469.7 Ų69.727%0.26736%0.356SS..  trans-127.9137.8-169.9-58.10000110.8H67 Y72 F85V65-H67 PolarHBondContact O-ND1 3.24Å; V65-Y72 HydrophobicContact CG2-CD2 4.2Å; V65-Y72 HydrophobicContact CG2-CE2 3.63Å; V65-F85 HydrophobicContact CB-CD2 4.37Å; V65-F85 HydrophobicContact CB-CE1 4.42Å; V65-F85 HydrophobicContact CB-CE2 3.93Å; V65-F85 HydrophobicContact CB-CZ 3.96Å; V65-F85 HydrophobicContact CG1-CE1 4.11Å; V65-F85 HydrophobicContact CG1-CE2 4.24Å; V65-F85 HydrophobicContact CG1-CZ 3.76Å; V65-F85 HydrophobicContact CG2-CD1 4.13Å; V65-F85 HydrophobicContact CG2-CD2 4.05Å; V65-F85 HydrophobicContact CG2-CE1 4.15Å; V65-F85 HydrophobicContact CG2-CE2 4.07Å; V65-F85 HydrophobicContact CG2-CG 4.09Å; V65-F85 HydrophobicContact CG2-CZ 4.12Å
66T95.7Very high96.5Very high112 Ų11272 Ų7269%0.68736%0.362SS*.  trans-79133.2164.3-52.70000108.5A88T66-A88 HydrophobicContact CG2-CB 4.46Å
67H95.1Very high96.4Very high65 Ų6568.6 Ų68.630%0.30135%0.345SS..  trans-137.9157.1-177.557.3-85.3000111.9D11 V65 Y72 F85 K86D11-H67 IonicContact OD2-CD2 3.79Å; D11-H67 IonicContact OD2-NE2 3.71Å; V65-H67 PolarHBondContact O-ND1 3.24Å; H67-Y72 HydrophobicContact CB-CD2 4.11Å; H67-Y72 WeakPolarHBondContact CD2-CB 3.49Å; H67-Y72 AromaticContact CD2-CG 3.96Å; H67-Y72 AromaticContact CE1-CD2 3.84Å; H67-Y72 AromaticContact CG-CD2 3.66Å; H67-Y72 AromaticContact ND1-CD2 3.53Å; H67-Y72 AromaticContact NE2-CG 3.92Å; H67-F85 HydrophobicContact CB-CB 4.1Å; H67-F85 HydrophobicContact CB-CD2 4.19Å; H67-K86 CarbonylContact C-O 3.52Å; H67-K86 WeakPolarHBondContact CA-O 3.37Å; H67-K86 VanDerWaalsContact CB-O 3.29Å; H67-K86 WeakPolarHBondContact CB-O 3.22Å
68E96.6Very high96.2Very high90 Ų9070 Ų7042%0.42136%0.362SS..  trans-67.7136.3169.4-173.9-175.6167.300110G70 S71 K86E68-G70 PolarHBondContact O-N 3.37Å; E68-S71 PolarHBondContact O-N 3.46Å; E68-K86 HydrophobicContact CB-CB 4.12Å; E68-K86 PolarHBondContact N-O 2.85Å
69N96.2Very high96Very high143 Ų14377.1 Ų77.177%0.76539%0.39SS*.THydrogen-bonded Turntrans-59.9135.2178.5-178.381000111.4S71N69-S71 VanDerWaalsContact C-N 3.28Å
70G97.2Very high96Very high17 Ų1770.4 Ų70.418%0.17537%0.365CS..THydrogen-bonded Turntrans77.211.4-177.600000114.3D11 M12 E68D11-G70 CarbonylContact O-C 3.59Å; D11-G70 VanDerWaalsContact O-CA 3.23Å; D11-G70 WeakPolarHBondContact O-CA 3.46Å; D11-G70 WeakPolarHBondContact OD1-CA 3.45Å; D11-G70 PolarHBondContact OD1-N 2.86Å; D11-G70 PolarHBondContact OD2-N 2.88Å; M12-G70 WeakPolarHBondContact CA-O 3.31Å; M12-G70 VanDerWaalsContact CB-O 3.31Å; M12-G70 WeakPolarHBondContact CB-O 3.4Å; E68-G70 PolarHBondContact O-N 3.37Å
71S97.7Very high96.3Very high11 Ų1161.2 Ų61.28%0.07732%0.323CS..  trans-131.742-177.7-63.60000113.5D11 E68 N69 F85 K86D11-S71 PolarHBondContact O-N 2.89Å; E68-S71 PolarHBondContact O-N 3.46Å; N69-S71 VanDerWaalsContact C-N 3.28Å; S71-F85 CarbonylContact O-C 3.55Å; S71-F85 WeakPolarHBondContact O-CA 3.36Å; S71-K86 PolarHBondContact O-N 3.29Å
72Y98.3Very high96.4Very high19 Ų1958.9 Ų58.98%0.07531%0.312CS..EExtended strand (participates in β ladder)trans-138.5136.7178.2179.5-76.4000113.3I9 D11 V65 H67 L83 L84 F85I9-Y72 HydrophobicContact CB-CE1 3.89Å; I9-Y72 HydrophobicContact CD1-CE1 4.48Å; I9-Y72 HydrophobicContact CG2-CD1 3.91Å; I9-Y72 HydrophobicContact CG2-CE1 3.59Å; D11-Y72 CarbonylContact C-O 3.53Å; D11-Y72 PolarHBondContact N-O 2.65Å; D11-Y72 PolarHBondContact O-N 3.47Å; V65-Y72 HydrophobicContact CG2-CD2 4.2Å; V65-Y72 HydrophobicContact CG2-CE2 3.63Å; H67-Y72 HydrophobicContact CB-CD2 4.11Å; H67-Y72 WeakPolarHBondContact CD2-CB 3.49Å; H67-Y72 AromaticContact CD2-CG 3.96Å; H67-Y72 AromaticContact CE1-CD2 3.84Å; H67-Y72 AromaticContact CG-CD2 3.66Å; H67-Y72 AromaticContact ND1-CD2 3.53Å; H67-Y72 AromaticContact NE2-CG 3.92Å; Y72-L83 HydrophobicContact CD2-CD1 4.34Å; Y72-L83 HydrophobicContact CE1-CD1 4.2Å; Y72-L83 HydrophobicContact CE2-CD1 3.5Å; Y72-L83 VanDerWaalsContact CE2-CD1 3.5Å; Y72-L83 VanDerWaalsContact OH-CD1 3.29Å; Y72-L83 WeakPolarHBondContact OH-CD1 3.42Å; Y72-L84 CarbonylContact C-O 2.88Å; Y72-L84 WeakPolarHBondContact CA-O 3.39Å; Y72-F85 HydrophobicContact CD2-CB 3.61Å; Y72-F85 HydrophobicContact CD2-CG 4.34Å; Y72-F85 HydrophobicContact CE2-CB 4.38Å; Y72-F85 HydrophobicContact CG-CB 4.32Å
73I98.6Very high96.6Very high0 Ų053 Ų530%027%0.271CS..EExtended strand (participates in β ladder)trans-147.9137.4170.8-167.7-177.3000111.3I7 I9 V10 M12 R17 A20 F75 L83 L84I7-I73 HydrophobicContact CD1-CD1 4.43Å; I9-I73 WeakPolarHBondContact O-CA 3.45Å; V10-I73 HydrophobicContact CB-CG1 4.39Å; V10-I73 HydrophobicContact CG2-CG1 4.31Å; M12-I73 HydrophobicContact CE-CB 3.72Å; M12-I73 HydrophobicContact CE-CG2 3.59Å; M12-I73 HydrophobicContact SD-CB 3.96Å; M12-I73 HydrophobicContact SD-CD1 4.38Å; M12-I73 HydrophobicContact SD-CG2 4Å; R17-I73 HydrophobicContact CB-CD1 4.43Å; R17-I73 HydrophobicContact CG-CD1 3.73Å; A20-I73 HydrophobicContact CB-CD1 4.24Å; A20-I73 HydrophobicContact CB-CG2 4.13Å; I73-F75 HydrophobicContact CD1-CD1 3.74Å; I73-F75 HydrophobicContact CD1-CE1 4.07Å; I73-F75 HydrophobicContact CG1-CD1 3.85Å; I73-F75 HydrophobicContact CG1-CE1 4.45Å; I73-F75 HydrophobicContact CG2-CD1 4.36Å; I73-F75 HydrophobicContact CG2-CE1 4.24Å; I73-L83 WeakPolarHBondContact O-CA 3.41Å; I73-L84 HydrophobicContact CG2-CB 3.79Å; I73-L84 HydrophobicContact CG2-CD2 4.16Å; I73-L84 HydrophobicContact CG2-CG 4.41Å; I73-L84 PolarHBondContact N-O 2.75Å; I73-L84 PolarHBondContact O-N 2.79Å
74Y98.4Very high96.8Very high35 Ų3550.7 Ų50.714%0.13726%0.255CS..EExtended strand (participates in β ladder)trans-128.3123.6171.3178.3-125.8000110.1K8 I9 F61 Y76 A81 W82 L83K8-Y74 WeakPolarHBondContact CA-O 3.47Å; K8-Y74 HydrophobicContact CB-CD1 3.42Å; K8-Y74 VanDerWaalsContact CB-CD1 3.42Å; K8-Y74 HydrophobicContact CB-CE1 3.86Å; K8-Y74 HydrophobicContact CB-CG 4.27Å; K8-Y74 WeakPolarHBondContact CB-O 3.47Å; K8-Y74 HydrophobicContact CG-CD1 3.95Å; K8-Y74 HydrophobicContact CG-CE1 3.88Å; K8-Y74 PolarHBondContact N-O 2.99Å; I9-Y74 PolarHBondContact N-O 3.25Å; I9-Y74 PolarHBondContact O-N 3.43Å; F61-Y74 HydrophobicContact CE2-CD2 4.41Å; F61-Y74 AromaticContact CE2-CE2 3.83Å; F61-Y74 HydrophobicContact CE2-CE2 3.83Å; F61-Y74 HydrophobicContact CZ-CD2 4.26Å; F61-Y74 AromaticContact CZ-CE2 3.62Å; F61-Y74 HydrophobicContact CZ-CE2 3.62Å; Y74-Y76 HydrophobicContact CE1-CE2 4.08Å; Y74-Y76 AromaticContact CZ-CE2 3.81Å; Y74-Y76 WeakPolarHBondContact OH-CE2 3.44Å; Y74-Y76 VanDerWaalsContact OH-CZ 3.28Å; Y74-Y76 PolarHBondContact OH-OH 2.53Å; Y74-A81 HydrophobicContact CE2-CB 3.91Å; Y74-W82 WeakPolarHBondContact CA-O 3.38Å; Y74-W82 VanDerWaalsContact CD2-O 3.32Å; Y74-W82 WeakPolarHBondContact CD2-O 3.33Å; Y74-L83 HydrophobicContact CD2-CB 4.19Å; Y74-L83 HydrophobicContact CD2-CD1 4.4Å
75F98.1Very high97Very high0 Ų040.5 Ų40.50%022%0.216CC..EExtended strand (participates in β ladder)trans-153.2166.7-177.266.3-80.9000112.8A5 F6 I7 A20 V21 A24 I73 L77 W82A5-F75 HydrophobicContact CB-CD2 4.13Å; F6-F75 CarbonylContact O-C 3.57Å; F6-F75 VanDerWaalsContact O-CA 3.31Å; F6-F75 WeakPolarHBondContact O-CA 3.45Å; F6-F75 WeakPolarHBondContact O-CB 3.48Å; I7-F75 HydrophobicContact CD1-CB 3.62Å; I7-F75 HydrophobicContact CD1-CG 4.12Å; A20-F75 HydrophobicContact CB-CE1 4.4Å; V21-F75 HydrophobicContact CG2-CD2 4.33Å; V21-F75 HydrophobicContact CG2-CE2 4.13Å; V21-F75 HydrophobicContact CG2-CZ 4.34Å; A24-F75 HydrophobicContact CB-CE2 3.84Å; A24-F75 HydrophobicContact CB-CZ 3.64Å; I73-F75 HydrophobicContact CD1-CD1 3.74Å; I73-F75 HydrophobicContact CD1-CE1 4.07Å; I73-F75 HydrophobicContact CG1-CD1 3.85Å; I73-F75 HydrophobicContact CG1-CE1 4.45Å; I73-F75 HydrophobicContact CG2-CD1 4.36Å; I73-F75 HydrophobicContact CG2-CE1 4.24Å; F75-L77 HydrophobicContact CD2-CG 4.17Å; F75-L77 HydrophobicContact CE2-CD1 3.81Å; F75-L77 HydrophobicContact CE2-CG 3.89Å; F75-W82 HydrophobicContact CD1-CB 3.95Å; F75-W82 HydrophobicContact CD2-CB 4.23Å; F75-W82 HydrophobicContact CD2-CG 4.42Å; F75-W82 HydrophobicContact CE1-CB 3.6Å; F75-W82 HydrophobicContact CE1-CG 4.38Å; F75-W82 HydrophobicContact CE2-CB 3.89Å; F75-W82 AromaticContact CE2-CG 3.87Å; F75-W82 HydrophobicContact CE2-CG 3.87Å; F75-W82 HydrophobicContact CG-CB 4.26Å; F75-W82 HydrophobicContact CZ-CB 3.58Å; F75-W82 HydrophobicContact CZ-CD2 4.39Å; F75-W82 AromaticContact CZ-CG 3.86Å; F75-W82 HydrophobicContact CZ-CG 3.86Å; F75-W82 PolarHBondContact N-O 2.93Å; F75-W82 PolarHBondContact O-N 3.25Å
76Y97.6Very high97.1Very high72 Ų7239.7 Ų39.728%0.28221%0.208SC..EExtended strand (participates in β ladder)trans-113.1141173.8-70.8-99.7000111.2A5 F6 K8 Y74 E80 A81A5-Y76 WeakPolarHBondContact CA-O 3.26Å; F6-Y76 PolarHBondContact N-O 2.83Å; F6-Y76 PolarHBondContact O-N 3.36Å; K8-Y76 HydrophobicContact CD-CD2 4.41Å; K8-Y76 HydrophobicContact CD-CE2 4.15Å; K8-Y76 HydrophobicContact CG-CD2 3.77Å; K8-Y76 HydrophobicContact CG-CE2 3.74Å; Y74-Y76 HydrophobicContact CE1-CE2 4.08Å; Y74-Y76 AromaticContact CZ-CE2 3.81Å; Y74-Y76 WeakPolarHBondContact OH-CE2 3.44Å; Y74-Y76 VanDerWaalsContact OH-CZ 3.28Å; Y74-Y76 PolarHBondContact OH-OH 2.53Å; Y76-E80 WeakPolarHBondContact CA-O 3.44Å; Y76-A81 HydrophobicContact CD1-CB 3.74Å; Y76-A81 HydrophobicContact CE1-CB 3.47Å; Y76-A81 VanDerWaalsContact CE1-CB 3.47Å; Y76-A81 HydrophobicContact CE2-CB 4.44Å; Y76-A81 HydrophobicContact CG-CB 4.36Å
77L96.6Very high96.9Very high0 Ų037 Ų370%019%0.194CC..EExtended strand (participates in β ladder)trans-121.998.9163.6-79.8171.7000109.2K3 A5 A24 K25 L28 F75 K79 E80K3-L77 HydrophobicContact CB-CD2 4.21Å; K3-L77 WeakPolarHBondContact O-CD2 3.45Å; A5-L77 HydrophobicContact CB-CD2 3.84Å; A5-L77 HydrophobicContact CB-CG 4.42Å; A24-L77 HydrophobicContact CB-CD1 3.47Å; A24-L77 VanDerWaalsContact CB-CD1 3.47Å; K25-L77 HydrophobicContact CG-CD1 3.97Å; K25-L77 HydrophobicContact CG-CD2 4.19Å; L28-L77 HydrophobicContact CD1-CB 3.64Å; L28-L77 HydrophobicContact CD1-CD1 3.9Å; L28-L77 HydrophobicContact CD1-CG 4.39Å; F75-L77 HydrophobicContact CD2-CG 4.17Å; F75-L77 HydrophobicContact CE2-CD1 3.81Å; F75-L77 HydrophobicContact CE2-CG 3.89Å; L77-K79 PolarHBondContact O-N 3.21Å; L77-E80 PolarHBondContact N-O 3.37Å; L77-E80 PolarHBondContact O-N 3.05Å
78G93.8Very high96.1Very high46 Ų4640 Ų4047%0.47423%0.23SC..THydrogen-bonded Turntrans64.3-117.5-170.600000111.1
79K93.9Very high96.1Very high160 Ų16037.5 Ų37.570%0.69622%0.221SC*.THydrogen-bonded Turntrans-90.7-15.9-178.8-63.1-176.2-179-179.60113.6L77L77-K79 PolarHBondContact O-N 3.21Å
80E96.4Very high96.1Very high14 Ų1431.9 Ų31.97%0.06519%0.192CC..EExtended strand (participates in β ladder)trans-89.1128.9-177-54.3-49.3147.100110.3L28 V57 R59 Y76 L77 W82L28-E80 HydrophobicContact CD2-CG 3.93Å; V57-E80 HydrophobicContact CG1-CB 4.42Å; R59-E80 WeakPolarHBondContact CG-OE2 3.16Å; R59-E80 IonicContact CZ-OE1 3.63Å; R59-E80 IonicContact NE-OE1 2.75Å; R59-E80 PolarHBondContact NE-OE1 3.41Å; R59-E80 IonicContact NE-OE2 2.65Å; R59-E80 IonicContact NH2-OE1 2.79Å; R59-E80 PolarHBondContact NH2-OE1 3.28Å; Y76-E80 WeakPolarHBondContact CA-O 3.44Å; L77-E80 PolarHBondContact N-O 3.37Å; L77-E80 PolarHBondContact O-N 3.05Å; E80-W82 VanDerWaalsContact O-CD1 3.28Å; E80-W82 PolarHBondContact O-NE1 3.19Å
81A98Very high96.1Very high1 Ų132.8 Ų32.81%0.00819%0.193CC..EExtended strand (participates in β ladder)trans-93.3142.3169.500000109.6V57 G58 F61 Y74 Y76V57-A81 WeakPolarHBondContact CA-O 3.32Å; G58-A81 PolarHBondContact N-O 3.12Å; G58-A81 VanDerWaalsContact O-CB 3.27Å; G58-A81 WeakPolarHBondContact O-CB 3.48Å; G58-A81 PolarHBondContact O-N 3.2Å; F61-A81 HydrophobicContact CE1-CB 3.61Å; F61-A81 HydrophobicContact CZ-CB 3.89Å; Y74-A81 HydrophobicContact CE2-CB 3.91Å; Y76-A81 HydrophobicContact CD1-CB 3.74Å; Y76-A81 HydrophobicContact CE1-CB 3.47Å; Y76-A81 VanDerWaalsContact CE1-CB 3.47Å; Y76-A81 HydrophobicContact CE2-CB 4.44Å; Y76-A81 HydrophobicContact CG-CB 4.36Å
82W98.5Very high96Very high1 Ų134.1 Ų34.10%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-127.4123.4-174.1-61.875000108.4A24 A27 L28 M37 L41 V57 Y74 F75 E80A24-W82 HydrophobicContact CB-CD2 3.7Å; A24-W82 HydrophobicContact CB-CE3 3.6Å; A24-W82 HydrophobicContact CB-CG 4.39Å; A24-W82 HydrophobicContact CB-CH2 3.94Å; A24-W82 HydrophobicContact CB-CZ2 4.08Å; A24-W82 HydrophobicContact CB-CZ3 3.71Å; A27-W82 HydrophobicContact CB-CH2 3.74Å; A27-W82 HydrophobicContact CB-CZ3 4.2Å; L28-W82 HydrophobicContact CD1-CZ2 4.17Å; L28-W82 HydrophobicContact CD2-CZ2 3.88Å; L28-W82 HydrophobicContact CG-CH2 4.4Å; L28-W82 HydrophobicContact CG-CZ2 3.7Å; M37-W82 HydrophobicContact CB-CH2 3.72Å; M37-W82 HydrophobicContact CB-CZ3 4.15Å; M37-W82 HydrophobicContact CG-CH2 4.25Å; M37-W82 HydrophobicContact SD-CH2 4.18Å; M37-W82 HydrophobicContact SD-CZ2 4.23Å; L41-W82 HydrophobicContact CB-CZ3 4.4Å; L41-W82 HydrophobicContact CD1-CE3 3.63Å; L41-W82 HydrophobicContact CD1-CZ3 3.94Å; V57-W82 HydrophobicContact CG1-CD2 4.24Å; V57-W82 HydrophobicContact CG1-CE3 4.4Å; V57-W82 HydrophobicContact CG1-CH2 4.3Å; V57-W82 HydrophobicContact CG1-CZ2 4.07Å; V57-W82 HydrophobicContact CG1-CZ3 4.45Å; V57-W82 HydrophobicContact CG2-CD2 3.9Å; V57-W82 HydrophobicContact CG2-CE3 3.36Å; V57-W82 HydrophobicContact CG2-CH2 4.16Å; V57-W82 HydrophobicContact CG2-CZ3 3.53Å; Y74-W82 WeakPolarHBondContact CA-O 3.38Å; Y74-W82 VanDerWaalsContact CD2-O 3.32Å; Y74-W82 WeakPolarHBondContact CD2-O 3.33Å; F75-W82 HydrophobicContact CD1-CB 3.95Å; F75-W82 HydrophobicContact CD2-CB 4.23Å; F75-W82 HydrophobicContact CD2-CG 4.42Å; F75-W82 HydrophobicContact CE1-CB 3.6Å; F75-W82 HydrophobicContact CE1-CG 4.38Å; F75-W82 HydrophobicContact CE2-CB 3.89Å; F75-W82 AromaticContact CE2-CG 3.87Å; F75-W82 HydrophobicContact CE2-CG 3.87Å; F75-W82 HydrophobicContact CG-CB 4.26Å; F75-W82 HydrophobicContact CZ-CB 3.58Å; F75-W82 HydrophobicContact CZ-CD2 4.39Å; F75-W82 AromaticContact CZ-CG 3.86Å; F75-W82 HydrophobicContact CZ-CG 3.86Å; F75-W82 PolarHBondContact N-O 2.93Å; F75-W82 PolarHBondContact O-N 3.25Å; E80-W82 VanDerWaalsContact O-CD1 3.28Å; E80-W82 PolarHBondContact O-NE1 3.19Å
83L98.7Very high95.8Very high1 Ų135 Ų351%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-120.4126.6172.8175.467.3000108.3C55 I56 F61 S63 Y72 I73 Y74 F85C55-L83 CarbonylContact C-O 3.36Å; C55-L83 VanDerWaalsContact CA-O 3.29Å; C55-L83 WeakPolarHBondContact CA-O 3.4Å; I56-L83 HydrophobicContact CB-CB 4.24Å; I56-L83 HydrophobicContact CD1-CD2 4.1Å; I56-L83 HydrophobicContact CG1-CD2 4.47Å; I56-L83 PolarHBondContact N-O 2.92Å; I56-L83 PolarHBondContact O-N 2.9Å; F61-L83 HydrophobicContact CE2-CB 3.99Å; F61-L83 HydrophobicContact CE2-CD2 4.28Å; F61-L83 HydrophobicContact CZ-CB 3.94Å; S63-L83 WeakPolarHBondContact OG-CD2 2.97Å; Y72-L83 HydrophobicContact CD2-CD1 4.34Å; Y72-L83 HydrophobicContact CE1-CD1 4.2Å; Y72-L83 HydrophobicContact CE2-CD1 3.5Å; Y72-L83 VanDerWaalsContact CE2-CD1 3.5Å; Y72-L83 VanDerWaalsContact OH-CD1 3.29Å; Y72-L83 WeakPolarHBondContact OH-CD1 3.42Å; I73-L83 WeakPolarHBondContact O-CA 3.41Å; Y74-L83 HydrophobicContact CD2-CB 4.19Å; Y74-L83 HydrophobicContact CD2-CD1 4.4Å; L83-F85 HydrophobicContact CD1-CD1 4.38Å; L83-F85 HydrophobicContact CD2-CD1 4.17Å; L83-F85 HydrophobicContact CD2-CE1 4.05Å; L83-F85 HydrophobicContact CG-CD1 3.95Å; L83-F85 HydrophobicContact CG-CE1 4.27Å
84L98.8Very high95.6Very high1 Ų137.3 Ų37.31%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-133.4127.1176.8172.168.6000108.8A20 L41 F45 W53 H54 C55 Y72 I73A20-L84 HydrophobicContact CB-CD2 4.07Å; L41-L84 HydrophobicContact CD2-CB 4.07Å; L41-L84 HydrophobicContact CD2-CD1 3.37Å; L41-L84 HydrophobicContact CD2-CD2 3.52Å; L41-L84 HydrophobicContact CD2-CG 3.81Å; F45-L84 HydrophobicContact CD1-CD2 3.57Å; F45-L84 HydrophobicContact CD2-CD2 3.85Å; F45-L84 HydrophobicContact CE1-CD2 3.52Å; F45-L84 HydrophobicContact CE2-CD2 3.84Å; F45-L84 HydrophobicContact CG-CD2 3.74Å; F45-L84 HydrophobicContact CZ-CD2 3.66Å; W53-L84 HydrophobicContact CB-CD1 4.08Å; W53-L84 HydrophobicContact CD2-CD1 4.19Å; W53-L84 HydrophobicContact CE3-CD1 3.57Å; W53-L84 HydrophobicContact CE3-CD2 4.19Å; W53-L84 HydrophobicContact CE3-CG 3.66Å; W53-L84 HydrophobicContact CG-CD1 4.43Å; W53-L84 HydrophobicContact CZ3-CD1 4.38Å; W53-L84 HydrophobicContact CZ3-CD2 4.27Å; W53-L84 HydrophobicContact CZ3-CG 3.97Å; H54-L84 WeakPolarHBondContact O-CA 3.45Å; H54-L84 WeakPolarHBondContact O-CD1 3.33Å; C55-L84 HydrophobicContact CB-CD1 4.21Å; Y72-L84 CarbonylContact C-O 2.88Å; Y72-L84 WeakPolarHBondContact CA-O 3.39Å; I73-L84 HydrophobicContact CG2-CB 3.79Å; I73-L84 HydrophobicContact CG2-CD2 4.16Å; I73-L84 HydrophobicContact CG2-CG 4.41Å; I73-L84 PolarHBondContact N-O 2.75Å; I73-L84 PolarHBondContact O-N 2.79Å
85F98.3Very high95.4Very high19 Ų1937.5 Ų37.58%0.08323%0.227CC..EExtended strand (participates in β ladder)trans-152.4156.7177.766.1-79.1000113.5H54 V65 H67 S71 Y72 L83H54-F85 HydrophobicContact CB-CD1 4.13Å; H54-F85 HydrophobicContact CB-CD2 4.4Å; H54-F85 HydrophobicContact CB-CE1 3.7Å; H54-F85 HydrophobicContact CB-CE2 3.99Å; H54-F85 HydrophobicContact CB-CG 4.45Å; H54-F85 HydrophobicContact CB-CZ 3.62Å; H54-F85 AromaticContact CD2-CE2 3.87Å; H54-F85 PolarHBondContact N-O 2.93Å; H54-F85 PolarHBondContact O-N 3.24Å; V65-F85 HydrophobicContact CB-CD2 4.37Å; V65-F85 HydrophobicContact CB-CE1 4.42Å; V65-F85 HydrophobicContact CB-CE2 3.93Å; V65-F85 HydrophobicContact CB-CZ 3.96Å; V65-F85 HydrophobicContact CG1-CE1 4.11Å; V65-F85 HydrophobicContact CG1-CE2 4.24Å; V65-F85 HydrophobicContact CG1-CZ 3.76Å; V65-F85 HydrophobicContact CG2-CD1 4.13Å; V65-F85 HydrophobicContact CG2-CD2 4.05Å; V65-F85 HydrophobicContact CG2-CE1 4.15Å; V65-F85 HydrophobicContact CG2-CE2 4.07Å; V65-F85 HydrophobicContact CG2-CG 4.09Å; V65-F85 HydrophobicContact CG2-CZ 4.12Å; H67-F85 HydrophobicContact CB-CB 4.1Å; H67-F85 HydrophobicContact CB-CD2 4.19Å; S71-F85 CarbonylContact O-C 3.55Å; S71-F85 WeakPolarHBondContact O-CA 3.36Å; Y72-F85 HydrophobicContact CD2-CB 3.61Å; Y72-F85 HydrophobicContact CD2-CG 4.34Å; Y72-F85 HydrophobicContact CE2-CB 4.38Å; Y72-F85 HydrophobicContact CG-CB 4.32Å; L83-F85 HydrophobicContact CD1-CD1 4.38Å; L83-F85 HydrophobicContact CD2-CD1 4.17Å; L83-F85 HydrophobicContact CD2-CE1 4.05Å; L83-F85 HydrophobicContact CG-CD1 3.95Å; L83-F85 HydrophobicContact CG-CE1 4.27Å
86K97.3Very high95.2Very high27 Ų2740.4 Ų40.412%0.11725%0.245CC..EExtended strand (participates in β ladder)trans-95.5136.3161.9-73.1-177.2136.8177.90109.8F49 P51 W53 H67 E68 S71F49-K86 PolarHBondContact O-NZ 3.09Å; F49-K86 VanDerWaalsContact O-NZ 3.14Å; P51-K86 WeakPolarHBondContact O-CE 3.3Å; P51-K86 PolarHBondContact O-NZ 3.18Å; W53-K86 HydrophobicContact CD2-CD 4.13Å; W53-K86 HydrophobicContact CD2-CG 3.5Å; W53-K86 VanDerWaalsContact CD2-CG 3.5Å; W53-K86 HydrophobicContact CE3-CG 3.65Å; W53-K86 HydrophobicContact CG-CG 4.05Å; W53-K86 HydrophobicContact CH2-CD 4.12Å; W53-K86 HydrophobicContact CH2-CG 3.95Å; W53-K86 HydrophobicContact CZ2-CD 3.65Å; W53-K86 HydrophobicContact CZ2-CG 3.81Å; W53-K86 HydrophobicContact CZ3-CG 3.88Å; W53-K86 VanDerWaalsContact NE1-CE 3.34Å; H67-K86 CarbonylContact C-O 3.52Å; H67-K86 WeakPolarHBondContact CA-O 3.37Å; H67-K86 VanDerWaalsContact CB-O 3.29Å; H67-K86 WeakPolarHBondContact CB-O 3.22Å; E68-K86 HydrophobicContact CB-CB 4.12Å; E68-K86 PolarHBondContact N-O 2.85Å; S71-K86 PolarHBondContact O-N 3.29Å
87S90.5Very high95Very high56 Ų5637.8 Ų37.839%0.39224%0.242SC..  trans-75.2139.8169.350.50000109.9H54H54-S87 PolarHBondContact NE2-OG 3.26Å; H54-S87 VanDerWaalsContact NE2-OG 3.13Å
88A79.9Confident94.9Very high127 Ų12741.2 Ų41.2100%1.0526%0.264SS*.  trans-660172.500000112.6T66T66-A88 HydrophobicContact CG2-CB 4.46Å

Retrieved 88 of 88 residues in 174.9 ms (Link to these results)

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