A0A096MNI2_PAPAN Loading...

Copper transport protein ATOX1

Binds and deliver cytosolic copper to the copper ATPase proteins. May be important in cellular antioxidant defense.

AlphaFold DB , UniProt , Accession A0A096MNI2, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 68 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
1M85.9Confident96.7Very high103 Ų10345.1 Ų45.151%0.50725%0.248SC..  0149.50-46.7159.577.100106.9E43 E45M1-E43 HydrophobicContact CB-CG 3.74Å; M1-E43 HydrophobicContact CG-CG 4.43Å; M1-E43 PolarHBondContact N-OE1 3.12Å; M1-E43 HydrophobicContact SD-CG 4.36Å; M1-E45 WeakPolarHBondContact CA-OE1 3.43Å; M1-E45 HydrophobicContact CB-CG 4.22Å; M1-E45 WeakPolarHBondContact CB-OE1 3.3Å; M1-E45 HydrophobicContact CE-CB 4.17Å; M1-E45 HydrophobicContact CE-CG 3.66Å; M1-E45 VanDerWaalsContact CE-N 3.31Å; M1-E45 HydrophobicContact CG-CG 3.9Å; M1-E45 WeakPolarHBondContact CG-OE1 3.25Å
2P95Very high96.8Very high53 Ų5346 Ų4634%0.34426%0.259SS..  trans-60.6145.7178.922.5-30.9000111.5E43 S44 L67P2-E43 WeakPolarHBondContact O-CA 3.47Å; P2-S44 WeakPolarHBondContact CD-O 3.4Å; P2-S44 VanDerWaalsContact CG-O 3.23Å; P2-S44 WeakPolarHBondContact CG-O 3.48Å; P2-S44 PolarHBondContact O-N 3.39Å; P2-S44 VanDerWaalsContact O-N 3.15Å; P2-L67 HydrophobicContact CB-CD2 3.99Å
3K98.1Very high96.8Very high89 Ų8946 Ų4639%0.38728%0.276SS..EExtended strand (participates in β ladder)trans-101.1118.2175.6-73.3-175.9177.2-175.50109.7I42 E43 L67 E68K3-I42 WeakPolarHBondContact CA-O 3.38Å; K3-E43 HydrophobicContact CG-CB 4.24Å; K3-L67 VanDerWaalsContact O-CA 3.27Å; K3-L67 WeakPolarHBondContact O-CA 3.29Å; K3-L67 VanDerWaalsContact O-CD2 3.32Å; K3-L67 WeakPolarHBondContact O-CD2 3.3Å; K3-E68 HydrophobicContact CB-CB 3.96Å; K3-E68 HydrophobicContact CD-CB 4.47Å; K3-E68 PolarHBondContact O-N 2.72Å
4H98.5Very high96.9Very high13 Ų1349 Ų496%0.0630%0.3CS..EExtended strand (participates in β ladder)trans-109127.4-177.2-64.6-70.5000110.1F6 I42 L51 Y64 L67H4-F6 HydrophobicContact CB-CD2 4.42Å; H4-F6 HydrophobicContact CB-CE2 3.56Å; H4-F6 HydrophobicContact CB-CZ 4.12Å; H4-I42 PolarHBondContact N-O 3.28Å; H4-I42 PolarHBondContact O-N 3.04Å; H4-L51 HydrophobicContact CB-CD1 4.15Å; H4-Y64 HydrophobicContact CB-CE2 3.94Å; H4-Y64 AromaticContact ND1-CE2 3.85Å; H4-Y64 AromaticContact ND1-CZ 3.82Å; H4-Y64 PolarHBondContact ND1-OH 3.17Å; H4-Y64 VanDerWaalsContact ND1-OH 3.07Å; H4-L67 VanDerWaalsContact CE1-CD2 3.48Å; H4-L67 WeakPolarHBondContact CE1-CD2 3.13Å; H4-L67 WeakPolarHBondContact ND1-CD2 3.1Å
5V98.6Very high96.9Very high22 Ų2246.7 Ų46.713%0.13329%0.287CS..EExtended strand (participates in β ladder)trans-103.6129.8-180-169.10000109.7I40 Y64 L65 G66 E68V5-I40 WeakPolarHBondContact CA-O 3.42Å; V5-Y64 VanDerWaalsContact O-CD2 3.26Å; V5-Y64 WeakPolarHBondContact O-CD2 3.44Å; V5-L65 HydrophobicContact CB-CB 4.2Å; V5-L65 HydrophobicContact CG1-CB 4.17Å; V5-L65 HydrophobicContact CG1-CD1 4.05Å; V5-L65 WeakPolarHBondContact O-CB 3.39Å; V5-L65 PolarHBondContact O-N 2.94Å; V5-G66 PolarHBondContact N-O 2.89Å; V5-E68 HydrophobicContact CG2-CB 3.84Å
6F98.8Very high97Very high0 Ų044.7 Ų44.70%028%0.276CS..EExtended strand (participates in β ladder)trans-124.1148.8175-57.4-98.2000110.7H4 V8 K39 I40 I42 V48 L51 L52 L55 V62 S63 Y64H4-F6 HydrophobicContact CB-CD2 4.42Å; H4-F6 HydrophobicContact CB-CE2 3.56Å; H4-F6 HydrophobicContact CB-CZ 4.12Å; F6-V8 HydrophobicContact CB-CG2 4.46Å; F6-K39 WeakPolarHBondContact O-CA 3.27Å; F6-I40 HydrophobicContact CB-CG2 3.72Å; F6-I40 HydrophobicContact CD2-CG2 4.41Å; F6-I40 PolarHBondContact N-O 3.4Å; F6-I40 PolarHBondContact O-N 3.36Å; F6-I42 HydrophobicContact CD2-CD1 3.98Å; F6-I42 HydrophobicContact CD2-CG1 4.36Å; F6-I42 HydrophobicContact CE2-CD1 3.97Å; F6-I42 HydrophobicContact CE2-CG1 4.45Å; F6-V48 HydrophobicContact CE1-CG1 4.21Å; F6-V48 HydrophobicContact CZ-CG1 4.23Å; F6-L51 HydrophobicContact CE2-CB 4.1Å; F6-L51 HydrophobicContact CE2-CD1 4.21Å; F6-L51 HydrophobicContact CZ-CB 3.69Å; F6-L51 HydrophobicContact CZ-CD1 4.25Å; F6-L52 HydrophobicContact CD1-CD1 4.28Å; F6-L52 HydrophobicContact CE1-CB 4.22Å; F6-L52 HydrophobicContact CE1-CD1 4.28Å; F6-L55 HydrophobicContact CB-CD1 3.85Å; F6-L55 HydrophobicContact CD1-CD1 3.83Å; F6-L55 HydrophobicContact CD2-CD1 3.82Å; F6-L55 HydrophobicContact CE1-CD1 4.33Å; F6-L55 HydrophobicContact CE2-CD1 4.32Å; F6-L55 HydrophobicContact CG-CD1 3.55Å; F6-V62 HydrophobicContact CB-CG1 4.33Å; F6-V62 HydrophobicContact CD1-CG1 4.16Å; F6-S63 CarbonylContact C-O 3.52Å; F6-S63 VanDerWaalsContact CA-O 3.26Å; F6-S63 WeakPolarHBondContact CA-O 3.07Å; F6-Y64 AromaticContact CD1-CD2 3.86Å; F6-Y64 HydrophobicContact CD1-CD2 3.86Å; F6-Y64 HydrophobicContact CD1-CG 4.47Å; F6-Y64 AromaticContact CE1-CD2 3.53Å; F6-Y64 HydrophobicContact CE1-CD2 3.53Å; F6-Y64 HydrophobicContact CE1-CE2 4.38Å; F6-Y64 HydrophobicContact CE1-CG 4.16Å; F6-Y64 HydrophobicContact CE2-CD2 4.29Å; F6-Y64 HydrophobicContact CG-CD2 4.36Å; F6-Y64 AromaticContact CZ-CD2 3.76Å; F6-Y64 HydrophobicContact CZ-CD2 3.76Å; F6-Y64 HydrophobicContact CZ-CE2 4.18Å
7S98.5Very high97.1Very high39 Ų3947.8 Ų47.827%0.27329%0.287SS..EExtended strand (participates in β ladder)trans-93.6133.1160.5-175.20000109.2K38 V62 S63S7-K38 VanDerWaalsContact CA-O 3.29Å; S7-K38 WeakPolarHBondContact CA-O 3.32Å; S7-K38 PolarHBondContact OG-O 3.01Å; S7-V62 VanDerWaalsContact O-CA 3.3Å; S7-V62 WeakPolarHBondContact O-CA 3.22Å; S7-S63 PolarHBondContact N-O 3.45Å; S7-S63 PolarHBondContact O-N 3.39Å
8V98.5Very high97.2Very high0 Ų047.2 Ų47.20%029%0.287CS..EExtended strand (participates in β ladder)trans-133.1131177.7-175.20000109F6 M10 V19 K38 I40 L55 K60 T61 V62F6-V8 HydrophobicContact CB-CG2 4.46Å; V8-M10 VanDerWaalsContact C-N 3.27Å; V8-M10 HydrophobicContact CB-CE 4.24Å; V8-M10 HydrophobicContact CB-CG 4.15Å; V8-M10 HydrophobicContact CB-SD 4.4Å; V8-M10 HydrophobicContact CG1-CG 3.92Å; V8-M10 PolarHBondContact O-N 2.63Å; V8-V19 HydrophobicContact CG1-CG2 3.9Å; V8-K38 PolarHBondContact N-O 3.3Å; V8-K38 WeakPolarHBondContact O-CB 3.42Å; V8-I40 HydrophobicContact CG2-CG2 3.8Å; V8-L55 HydrophobicContact CG2-CD1 4.31Å; V8-L55 HydrophobicContact CG2-CD2 4.45Å; V8-K60 HydrophobicContact CG1-CB 3.99Å; V8-K60 HydrophobicContact CG1-CD 3.84Å; V8-T61 WeakPolarHBondContact CA-O 3.39Å; V8-V62 HydrophobicContact CG1-CG2 4.27Å; V8-V62 HydrophobicContact CG2-CG1 4.13Å; V8-V62 HydrophobicContact CG2-CG2 4.31Å
9D98.1Very high97.2Very high69 Ų6944.7 Ų44.737%0.36927%0.272SS..  trans-71.880.4-179.8-168.330.7000112.7K38 T61D9-K38 IonicContact OD1-NZ 2.72Å; D9-K38 PolarHBondContact OD1-NZ 3.31Å; D9-T61 PolarHBondContact N-O 2.97Å
10M97.5Very high97.3Very high3 Ų343.7 Ų43.72%0.01527%0.267CS..  trans-100.6116.4177.1-59.9175.1-68.300108.9V8 C15 A16 V19 I33 L35 K38 K60V8-M10 VanDerWaalsContact C-N 3.27Å; V8-M10 HydrophobicContact CB-CE 4.24Å; V8-M10 HydrophobicContact CB-CG 4.15Å; V8-M10 HydrophobicContact CB-SD 4.4Å; V8-M10 HydrophobicContact CG1-CG 3.92Å; V8-M10 PolarHBondContact O-N 2.63Å; M10-C15 HydrophobicContact CB-CB 3.91Å; M10-C15 HydrophobicContact CG-CB 4.25Å; M10-A16 HydrophobicContact SD-CB 4.18Å; M10-V19 HydrophobicContact CG-CG2 4.2Å; M10-V19 HydrophobicContact SD-CB 4.43Å; M10-V19 HydrophobicContact SD-CG2 3.95Å; M10-I33 HydrophobicContact CE-CG2 3.81Å; M10-I33 HydrophobicContact SD-CG2 3.85Å; M10-L35 HydrophobicContact CB-CD1 3.5Å; M10-L35 VanDerWaalsContact CB-CD1 3.5Å; M10-K38 WeakPolarHBondContact O-CE 3.37Å; M10-K60 HydrophobicContact CG-CD 4.49Å
11T96.6Very high97.4Very high105 Ų10548.6 Ų48.664%0.64428%0.281SS*.  trans-98.6-15.9-17753.60000113.6C15T11-C15 PolarHBondContact OG1-SG 3Å; T11-C15 VanDerWaalsContact OG1-SG 3.42Å
12C97.2Very high98Very high56 Ų5645.1 Ų45.138%0.37827%0.265SS..SBendtrans-157.8175.1-179.568.10000111.5S14 C15 A16C12-S14 VanDerWaalsContact C-N 3.3Å; C12-S14 PolarHBondContact O-N 3.4Å; C12-C15 VanDerWaalsContact O-CB 3.28Å; C12-C15 WeakPolarHBondContact O-CB 3.47Å; C12-C15 PolarHBondContact O-N 2.81Å; C12-C15 VanDerWaalsContact SG-SG 3.68Å; C12-A16 PolarHBondContact O-N 3.03Å
13G97.5Very high98.1Very high46 Ų4642.6 Ų42.647%0.47425%0.249SC..Hα-helixtrans-56.5-39.3177.800000113.7C15 A16 E17G13-C15 PolarHBondContact O-N 2.9Å; G13-A16 WeakPolarHBondContact O-CB 3.49Å; G13-A16 PolarHBondContact O-N 3.1Å; G13-A16 VanDerWaalsContact O-N 3.08Å; G13-E17 PolarHBondContact O-N 3.09Å
14S97.8Very high98.1Very high88 Ų8843.2 Ų43.262%0.61526%0.257SS*.Hα-helixtrans-63.5-28.5176.6-47.60000112.8C12 A18C12-S14 VanDerWaalsContact C-N 3.3Å; C12-S14 PolarHBondContact O-N 3.4Å; S14-A18 PolarHBondContact O-N 3.37Å
15C97.8Very high98.1Very high15 Ų1551.4 Ų51.410%0.10129%0.292CS..Hα-helixtrans-71-40.4173.5-66.70000111.9M10 T11 C12 G13 E17 A18 V19 K60M10-C15 HydrophobicContact CB-CB 3.91Å; M10-C15 HydrophobicContact CG-CB 4.25Å; T11-C15 PolarHBondContact OG1-SG 3Å; T11-C15 VanDerWaalsContact OG1-SG 3.42Å; C12-C15 VanDerWaalsContact O-CB 3.28Å; C12-C15 WeakPolarHBondContact O-CB 3.47Å; C12-C15 PolarHBondContact O-N 2.81Å; C12-C15 VanDerWaalsContact SG-SG 3.68Å; G13-C15 PolarHBondContact O-N 2.9Å; C15-E17 VanDerWaalsContact C-N 3.34Å; C15-A18 PolarHBondContact O-N 3.41Å; C15-V19 WeakPolarHBondContact O-CG2 3.33Å; C15-V19 PolarHBondContact O-N 3.28Å; C15-K60 PolarHBondContact SG-NZ 2.8Å
16A98.3Very high98.1Very high14 Ų1453.2 Ų53.212%0.11630%0.298CS..Hα-helixtrans-62.6-43.7173.900000110.7M10 C12 G13 A18 V19 S20 I33M10-A16 HydrophobicContact SD-CB 4.18Å; C12-A16 PolarHBondContact O-N 3.03Å; G13-A16 WeakPolarHBondContact O-CB 3.49Å; G13-A16 PolarHBondContact O-N 3.1Å; G13-A16 VanDerWaalsContact O-N 3.08Å; A16-A18 VanDerWaalsContact C-N 3.31Å; A16-A18 PolarHBondContact O-N 3.45Å; A16-V19 WeakPolarHBondContact O-CA 3.26Å; A16-V19 WeakPolarHBondContact O-CB 3.33Å; A16-V19 PolarHBondContact O-N 3.18Å; A16-S20 PolarHBondContact O-N 2.91Å; A16-S20 PolarHBondContact O-OG 3.37Å; A16-I33 HydrophobicContact CB-CG2 4.04Å
17E98.4Very high98Very high98 Ų9854.6 Ų54.646%0.45831%0.312SS..Hα-helixtrans-64.6-34.9178.4-158.5-177.7152.200112.6G13 C15 V19 S20 R21G13-E17 PolarHBondContact O-N 3.09Å; C15-E17 VanDerWaalsContact C-N 3.34Å; E17-V19 VanDerWaalsContact C-N 3.3Å; E17-V19 PolarHBondContact O-N 2.81Å; E17-S20 PolarHBondContact O-N 3.15Å; E17-R21 WeakPolarHBondContact O-CB 3.23Å; E17-R21 VanDerWaalsContact O-CG 3.23Å; E17-R21 WeakPolarHBondContact O-CG 3.23Å; E17-R21 PolarHBondContact O-N 2.75Å; E17-R21 IonicContact OE1-CZ 3.49Å; E17-R21 IonicContact OE1-NE 3.37Å; E17-R21 PolarHBondContact OE1-NE 3.2Å; E17-R21 IonicContact OE1-NH2 2.75Å; E17-R21 PolarHBondContact OE1-NH2 3.23Å
18A98.3Very high98Very high36 Ų3655.2 Ų55.230%0.29833%0.325SS..Hα-helixtrans-62.6-37.1172.200000112.4S14 C15 A16 V22S14-A18 PolarHBondContact O-N 3.37Å; C15-A18 PolarHBondContact O-N 3.41Å; A16-A18 VanDerWaalsContact C-N 3.31Å; A16-A18 PolarHBondContact O-N 3.45Å; A18-V22 PolarHBondContact O-N 3.25Å
19V98.4Very high97.9Very high0 Ų056.4 Ų56.40%033%0.332CS..Hα-helixtrans-67.4-47.7174.2175.30000110.6V8 M10 C15 A16 E17 R21 V22 L23 I33 I40 L55 T58 K60V8-V19 HydrophobicContact CG1-CG2 3.9Å; M10-V19 HydrophobicContact CG-CG2 4.2Å; M10-V19 HydrophobicContact SD-CB 4.43Å; M10-V19 HydrophobicContact SD-CG2 3.95Å; C15-V19 WeakPolarHBondContact O-CG2 3.33Å; C15-V19 PolarHBondContact O-N 3.28Å; A16-V19 WeakPolarHBondContact O-CA 3.26Å; A16-V19 WeakPolarHBondContact O-CB 3.33Å; A16-V19 PolarHBondContact O-N 3.18Å; E17-V19 VanDerWaalsContact C-N 3.3Å; E17-V19 PolarHBondContact O-N 2.81Å; V19-R21 VanDerWaalsContact C-N 3.34Å; V19-R21 PolarHBondContact O-N 3.06Å; V19-V22 WeakPolarHBondContact O-CG2 3.09Å; V19-V22 PolarHBondContact O-N 3.32Å; V19-L23 HydrophobicContact CG1-CD1 4.01Å; V19-L23 WeakPolarHBondContact O-CG 3.39Å; V19-L23 PolarHBondContact O-N 2.93Å; V19-I33 HydrophobicContact CB-CD1 4.37Å; V19-I33 HydrophobicContact CG1-CD1 4.23Å; V19-I40 HydrophobicContact CG1-CD1 3.63Å; V19-L55 HydrophobicContact CG1-CD2 3.7Å; V19-T58 HydrophobicContact CG2-CG2 4.06Å; V19-K60 HydrophobicContact CG2-CD 4.27Å
20S98.5Very high98Very high25 Ų2559.8 Ų59.818%0.17534%0.343CS..Hα-helixtrans-53.5-50174.2-64.70000111.7A16 E17 V22 L23 D24 Y31 I33A16-S20 PolarHBondContact O-N 2.91Å; A16-S20 PolarHBondContact O-OG 3.37Å; E17-S20 PolarHBondContact O-N 3.15Å; S20-V22 VanDerWaalsContact C-N 3.31Å; S20-V22 PolarHBondContact O-N 3.38Å; S20-L23 PolarHBondContact O-N 2.93Å; S20-D24 WeakPolarHBondContact O-CB 3.44Å; S20-D24 PolarHBondContact O-N 3.48Å; S20-Y31 WeakPolarHBondContact CA-OH 3.41Å; S20-Y31 VanDerWaalsContact CB-OH 3.27Å; S20-Y31 WeakPolarHBondContact CB-OH 3.46Å; S20-I33 WeakPolarHBondContact OG-CD1 3.18Å
21R98.4Very high98Very high146 Ų14662.9 Ų62.955%0.55136%0.355SS*.Hα-helixtrans-59.1-36-178.5-73.7172.2-175-148.23.8113.8E17 V19 K25E17-R21 WeakPolarHBondContact O-CB 3.23Å; E17-R21 VanDerWaalsContact O-CG 3.23Å; E17-R21 WeakPolarHBondContact O-CG 3.23Å; E17-R21 PolarHBondContact O-N 2.75Å; E17-R21 IonicContact OE1-CZ 3.49Å; E17-R21 IonicContact OE1-NE 3.37Å; E17-R21 PolarHBondContact OE1-NE 3.2Å; E17-R21 IonicContact OE1-NH2 2.75Å; E17-R21 PolarHBondContact OE1-NH2 3.23Å; V19-R21 VanDerWaalsContact C-N 3.34Å; V19-R21 PolarHBondContact O-N 3.06Å; R21-K25 WeakPolarHBondContact O-CB 3.27Å; R21-K25 WeakPolarHBondContact O-CG 3.39Å; R21-K25 PolarHBondContact O-N 3Å
22V98.3Very high98.1Very high30 Ų3063.2 Ų63.218%0.18235%0.353CS..Hα-helixtrans-75.1-33.1177.4-64.70000112.1A18 V19 S20 F26 K57 T58A18-V22 PolarHBondContact O-N 3.25Å; V19-V22 WeakPolarHBondContact O-CG2 3.09Å; V19-V22 PolarHBondContact O-N 3.32Å; S20-V22 VanDerWaalsContact C-N 3.31Å; S20-V22 PolarHBondContact O-N 3.38Å; V22-F26 WeakPolarHBondContact O-CB 3.47Å; V22-F26 PolarHBondContact O-N 2.96Å; V22-F26 VanDerWaalsContact O-N 3.09Å; V22-K57 HydrophobicContact CG1-CB 4.37Å; V22-T58 HydrophobicContact CB-CG2 4.45Å; V22-T58 HydrophobicContact CG1-CG2 3.97Å; V22-T58 HydrophobicContact CG2-CG2 3.58Å
23L98.5Very high98.2Very high0 Ų062.4 Ų62.40%035%0.345CS..Hα-helixtrans-74.2-42177.1-68.6175000111.9V19 S20 K25 F26 G27 V29 Y31 I40 I42 T54 L55V19-L23 HydrophobicContact CG1-CD1 4.01Å; V19-L23 WeakPolarHBondContact O-CG 3.39Å; V19-L23 PolarHBondContact O-N 2.93Å; S20-L23 PolarHBondContact O-N 2.93Å; L23-K25 VanDerWaalsContact C-N 3.3Å; L23-K25 PolarHBondContact O-N 3.44Å; L23-F26 WeakPolarHBondContact O-CB 3.07Å; L23-F26 PolarHBondContact O-N 2.94Å; L23-F26 VanDerWaalsContact O-N 3.1Å; L23-G27 PolarHBondContact O-N 2.82Å; L23-V29 HydrophobicContact CB-CG2 4.08Å; L23-V29 HydrophobicContact CD2-CG2 4.48Å; L23-Y31 HydrophobicContact CB-CD1 3.96Å; L23-Y31 HydrophobicContact CB-CE1 3.74Å; L23-Y31 HydrophobicContact CD1-CD1 3.86Å; L23-Y31 HydrophobicContact CD1-CD2 4.1Å; L23-Y31 HydrophobicContact CD1-CE1 4.24Å; L23-Y31 HydrophobicContact CD1-CE2 4.45Å; L23-Y31 HydrophobicContact CD1-CG 3.79Å; L23-I40 HydrophobicContact CD1-CD1 3.3Å; L23-I42 HydrophobicContact CD1-CD1 4.17Å; L23-I42 HydrophobicContact CD2-CD1 4Å; L23-T54 HydrophobicContact CD2-CG2 4.13Å; L23-L55 HydrophobicContact CD1-CD2 4.21Å; L23-L55 HydrophobicContact CD2-CD2 4.14Å; L23-L55 HydrophobicContact CG-CD2 4.33Å
24D98.4Very high98.2Very high102 Ų10262.8 Ų62.855%0.54534%0.336SS..Hα-helixtrans-61.4-40.3176-64.2-21.7000111.2S20 Y31S20-D24 WeakPolarHBondContact O-CB 3.44Å; S20-D24 PolarHBondContact O-N 3.48Å; D24-Y31 VanDerWaalsContact CG-OH 3.3Å; D24-Y31 WeakPolarHBondContact OD1-CE1 3.35Å; D24-Y31 PolarHBondContact OD1-OH 3.19Å; D24-Y31 PolarHBondContact OD2-OH 2.85Å
25K98.3Very high98.2Very high185 Ų18561.2 Ų61.280%0.80432%0.32SS*.Hα-helixtrans-68.9-32.7174.3-75.8177.5-178.1-174.90113.2R21 L23R21-K25 WeakPolarHBondContact O-CB 3.27Å; R21-K25 WeakPolarHBondContact O-CG 3.39Å; R21-K25 PolarHBondContact O-N 3Å; L23-K25 VanDerWaalsContact C-N 3.3Å; L23-K25 PolarHBondContact O-N 3.44Å
26F98Very high98.2Very high61 Ų6166.1 Ų66.127%0.26835%0.352SS..Hα-helixtrans-71.9-39.8178.1176.8-113.5000111V22 L23 V29 H46 T50 L51 T54V22-F26 WeakPolarHBondContact O-CB 3.47Å; V22-F26 PolarHBondContact O-N 2.96Å; V22-F26 VanDerWaalsContact O-N 3.09Å; L23-F26 WeakPolarHBondContact O-CB 3.07Å; L23-F26 PolarHBondContact O-N 2.94Å; L23-F26 VanDerWaalsContact O-N 3.1Å; F26-V29 HydrophobicContact CD1-CG1 3.89Å; F26-V29 HydrophobicContact CE1-CG1 3.97Å; F26-H46 HydrophobicContact CE1-CB 4.28Å; F26-H46 AromaticContact CE1-CD2 3.26Å; F26-H46 WeakPolarHBondContact CE1-CD2 3.4Å; F26-H46 AromaticContact CE1-CG 3.74Å; F26-H46 AromaticContact CE1-NE2 3.73Å; F26-H46 HydrophobicContact CZ-CB 4.25Å; F26-H46 AromaticContact CZ-CD2 3.55Å; F26-H46 AromaticContact CZ-CE1 3.95Å; F26-H46 AromaticContact CZ-CG 3.65Å; F26-H46 AromaticContact CZ-ND1 3.88Å; F26-H46 AromaticContact CZ-NE2 3.77Å; F26-T50 HydrophobicContact CE1-CG2 4.44Å; F26-T50 HydrophobicContact CE2-CG2 3.71Å; F26-T50 HydrophobicContact CZ-CG2 3.4Å; F26-T50 VanDerWaalsContact CZ-CG2 3.4Å; F26-L51 HydrophobicContact CE1-CD2 4.07Å; F26-T54 HydrophobicContact CB-CG2 3.77Å; F26-T54 HydrophobicContact CD1-CG2 4.32Å; F26-T54 HydrophobicContact CD2-CG2 4.39Å; F26-T54 HydrophobicContact CG-CG2 3.91Å
27G97.1Very high98.2Very high28 Ų2870.2 Ų70.229%0.28937%0.372SS..  trans72.1177.6-179.900000112.9L23 V29L23-G27 PolarHBondContact O-N 2.82Å; G27-V29 PolarHBondContact O-N 3.05Å
28G97.3Very high98.2Very high52 Ų5269.4 Ų69.454%0.53637%0.367SS..SBendtrans65.819.5176.700000114.9S44G28-S44 PolarHBondContact O-OG 3.32Å
29V98.1Very high98.2Very high25 Ų2572.2 Ų72.215%0.15237%0.372CS..EExtended strand (participates in β ladder)trans-132.8142.3-177.1-64.10000110.2L23 F26 G27 Y31 I42 L51L23-V29 HydrophobicContact CB-CG2 4.08Å; L23-V29 HydrophobicContact CD2-CG2 4.48Å; F26-V29 HydrophobicContact CD1-CG1 3.89Å; F26-V29 HydrophobicContact CE1-CG1 3.97Å; G27-V29 PolarHBondContact O-N 3.05Å; V29-Y31 HydrophobicContact CG2-CD1 4.11Å; V29-I42 HydrophobicContact CB-CG2 3.97Å; V29-I42 HydrophobicContact CG1-CG2 3.91Å; V29-L51 HydrophobicContact CG1-CD2 3.89Å
30K98.6Very high98.2Very high140 Ų14072.2 Ų72.261%0.60937%0.373SS*.EExtended strand (participates in β ladder)trans-109.9144.7156.8-64.9177.5-177.4172.80107.4I42 E43K30-I42 CarbonylContact O-C 3.54Å; K30-I42 WeakPolarHBondContact O-CA 3.47Å; K30-E43 HydrophobicContact CB-CB 4.29Å; K30-E43 PolarHBondContact N-O 3.12Å; K30-E43 PolarHBondContact O-N 3.24Å
31Y98.6Very high98.2Very high68 Ų6872.1 Ų72.127%0.26737%0.372SS..EExtended strand (participates in β ladder)trans-150.4156.6-176.961.6-91.8000112.7S20 L23 D24 V29 I33 I40 C41S20-Y31 WeakPolarHBondContact CA-OH 3.41Å; S20-Y31 VanDerWaalsContact CB-OH 3.27Å; S20-Y31 WeakPolarHBondContact CB-OH 3.46Å; L23-Y31 HydrophobicContact CB-CD1 3.96Å; L23-Y31 HydrophobicContact CB-CE1 3.74Å; L23-Y31 HydrophobicContact CD1-CD1 3.86Å; L23-Y31 HydrophobicContact CD1-CD2 4.1Å; L23-Y31 HydrophobicContact CD1-CE1 4.24Å; L23-Y31 HydrophobicContact CD1-CE2 4.45Å; L23-Y31 HydrophobicContact CD1-CG 3.79Å; D24-Y31 VanDerWaalsContact CG-OH 3.3Å; D24-Y31 WeakPolarHBondContact OD1-CE1 3.35Å; D24-Y31 PolarHBondContact OD1-OH 3.19Å; D24-Y31 PolarHBondContact OD2-OH 2.85Å; V29-Y31 HydrophobicContact CG2-CD1 4.11Å; Y31-I33 HydrophobicContact CD2-CD1 4.22Å; Y31-I33 HydrophobicContact CD2-CG1 4.02Å; Y31-I33 HydrophobicContact CE2-CD1 4.05Å; Y31-I33 HydrophobicContact CE2-CG1 4.32Å; Y31-I40 HydrophobicContact CD2-CD1 4.24Å; Y31-I40 HydrophobicContact CG-CD1 4.45Å; Y31-C41 CarbonylContact C-O 3.52Å; Y31-C41 WeakPolarHBondContact CA-O 3.4Å; Y31-C41 WeakPolarHBondContact CB-O 3.33Å
32D98.4Very high98.2Very high113 Ų11365.2 Ų65.260%0.60435%0.345SS*.EExtended strand (participates in β ladder)trans-130.3134.7172.4-177.357.7000109.6I40 C41D32-I40 WeakPolarHBondContact O-CA 3.4Å; D32-I40 WeakPolarHBondContact O-CG1 3.5Å; D32-C41 PolarHBondContact N-O 3.43Å; D32-C41 PolarHBondContact O-N 2.98Å
33I98.4Very high98.2Very high39 Ų3966.5 Ų66.520%0.235%0.349CS..EExtended strand (participates in β ladder)trans-112.9118.2-176.3-61.3178.3000109.8M10 A16 V19 S20 Y31 I40M10-I33 HydrophobicContact CE-CG2 3.81Å; M10-I33 HydrophobicContact SD-CG2 3.85Å; A16-I33 HydrophobicContact CB-CG2 4.04Å; V19-I33 HydrophobicContact CB-CD1 4.37Å; V19-I33 HydrophobicContact CG1-CD1 4.23Å; S20-I33 WeakPolarHBondContact OG-CD1 3.18Å; Y31-I33 HydrophobicContact CD2-CD1 4.22Å; Y31-I33 HydrophobicContact CD2-CG1 4.02Å; Y31-I33 HydrophobicContact CE2-CD1 4.05Å; Y31-I33 HydrophobicContact CE2-CG1 4.32Å; I33-I40 HydrophobicContact CD1-CD1 4.28Å; I33-I40 HydrophobicContact CG1-CD1 3.83Å; I33-I40 HydrophobicContact CG1-CG1 3.99Å
34D98.1Very high98.2Very high54 Ų5466.5 Ų66.529%0.28935%0.349SS..EExtended strand (participates in β ladder)trans-101.589.3170.5-177.5-17.3000108.8P36 N37 K38 K39D34-P36 VanDerWaalsContact OD1-CD 3.27Å; D34-P36 WeakPolarHBondContact OD1-CD 3.44Å; D34-N37 VanDerWaalsContact CG-ND2 3.31Å; D34-N37 PolarHBondContact O-N 3.33Å; D34-N37 WeakPolarHBondContact OD1-CB 3.24Å; D34-N37 PolarHBondContact OD1-N 2.82Å; D34-N37 PolarHBondContact OD1-ND2 2.82Å; D34-N37 WeakPolarHBondContact OD2-CB 3.48Å; D34-N37 PolarHBondContact OD2-ND2 3.11Å; D34-K38 WeakPolarHBondContact O-CA 3.42Å; D34-K38 PolarHBondContact O-N 3.19Å; D34-K39 HydrophobicContact CB-CB 4.25Å; D34-K39 PolarHBondContact N-O 3.08Å; D34-K39 PolarHBondContact O-N 3.25Å
35L97.8Very high98.1Very high55 Ų5568.1 Ų68.129%0.28835%0.354SS..THydrogen-bonded Turntrans-61.4-46.3179.517663.4000112.8M10 N37 K38M10-L35 HydrophobicContact CB-CD1 3.5Å; M10-L35 VanDerWaalsContact CB-CD1 3.5Å; L35-N37 VanDerWaalsContact C-N 3.26Å; L35-N37 PolarHBondContact O-N 3.07Å; L35-K38 PolarHBondContact O-N 2.87Å
36P97.8Very high98.1Very high118 Ų11862.7 Ų62.777%0.76633%0.331SS*.THydrogen-bonded Turntrans-53.5-40.7176.3-28.235.4000113.8D34D34-P36 VanDerWaalsContact OD1-CD 3.27Å; D34-P36 WeakPolarHBondContact OD1-CD 3.44Å
37N97.9Very high98.1Very high100 Ų10062.7 Ų62.754%0.53534%0.339SS..THydrogen-bonded Turntrans-93.52.1179.7-65.4-61.9000114D34 L35 K39D34-N37 VanDerWaalsContact CG-ND2 3.31Å; D34-N37 PolarHBondContact O-N 3.33Å; D34-N37 WeakPolarHBondContact OD1-CB 3.24Å; D34-N37 PolarHBondContact OD1-N 2.82Å; D34-N37 PolarHBondContact OD1-ND2 2.82Å; D34-N37 WeakPolarHBondContact OD2-CB 3.48Å; D34-N37 PolarHBondContact OD2-ND2 3.11Å; L35-N37 VanDerWaalsContact C-N 3.26Å; L35-N37 PolarHBondContact O-N 3.07Å; N37-K39 HydrophobicContact CB-CD 4.28Å; N37-K39 HydrophobicContact CB-CG 4.31Å; N37-K39 PolarHBondContact O-N 2.92Å
38K98.3Very high98.2Very high80 Ų8063.1 Ų63.135%0.34834%0.336SS..THydrogen-bonded Turntrans53.538.5-176.4-63.8-173.8177.9-170.70112.6S7 V8 D9 M10 D34 L35S7-K38 VanDerWaalsContact CA-O 3.29Å; S7-K38 WeakPolarHBondContact CA-O 3.32Å; S7-K38 PolarHBondContact OG-O 3.01Å; V8-K38 PolarHBondContact N-O 3.3Å; V8-K38 WeakPolarHBondContact O-CB 3.42Å; D9-K38 IonicContact OD1-NZ 2.72Å; D9-K38 PolarHBondContact OD1-NZ 3.31Å; M10-K38 WeakPolarHBondContact O-CE 3.37Å; D34-K38 WeakPolarHBondContact O-CA 3.42Å; D34-K38 PolarHBondContact O-N 3.19Å; L35-K38 PolarHBondContact O-N 2.87Å
39K98.4Very high98.2Very high95 Ų9566.5 Ų66.541%0.41334%0.341SS..EExtended strand (participates in β ladder)trans-114.9151.2-178-75179.9-176.7179.80111.4F6 D34 N37 L65F6-K39 WeakPolarHBondContact O-CA 3.27Å; D34-K39 HydrophobicContact CB-CB 4.25Å; D34-K39 PolarHBondContact N-O 3.08Å; D34-K39 PolarHBondContact O-N 3.25Å; N37-K39 HydrophobicContact CB-CD 4.28Å; N37-K39 HydrophobicContact CB-CG 4.31Å; N37-K39 PolarHBondContact O-N 2.92Å; K39-L65 HydrophobicContact CD-CD1 4.37Å; K39-L65 HydrophobicContact CG-CD1 4.17Å
40I98.4Very high98.2Very high1 Ų167.8 Ų67.81%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-135.5131.6167.1-174.4170.7000109V5 F6 V8 V19 L23 Y31 D32 I33 I42 L55V5-I40 WeakPolarHBondContact CA-O 3.42Å; F6-I40 HydrophobicContact CB-CG2 3.72Å; F6-I40 HydrophobicContact CD2-CG2 4.41Å; F6-I40 PolarHBondContact N-O 3.4Å; F6-I40 PolarHBondContact O-N 3.36Å; V8-I40 HydrophobicContact CG2-CG2 3.8Å; V19-I40 HydrophobicContact CG1-CD1 3.63Å; L23-I40 HydrophobicContact CD1-CD1 3.3Å; Y31-I40 HydrophobicContact CD2-CD1 4.24Å; Y31-I40 HydrophobicContact CG-CD1 4.45Å; D32-I40 WeakPolarHBondContact O-CA 3.4Å; D32-I40 WeakPolarHBondContact O-CG1 3.5Å; I33-I40 HydrophobicContact CD1-CD1 4.28Å; I33-I40 HydrophobicContact CG1-CD1 3.83Å; I33-I40 HydrophobicContact CG1-CG1 3.99Å; I40-I42 HydrophobicContact CD1-CD1 4.18Å; I40-I42 HydrophobicContact CD1-CG1 4.09Å; I40-I42 HydrophobicContact CG1-CD1 4.42Å; I40-I42 HydrophobicContact CG1-CG1 3.91Å; I40-L55 HydrophobicContact CD1-CD2 4.38Å; I40-L55 HydrophobicContact CG2-CD1 4.32Å
41C98.6Very high98.2Very high23 Ų2361.1 Ų61.116%0.15532%0.321CS..EExtended strand (participates in β ladder)trans-101.4130.1169.4-175.70000108.3Y31 D32 E68Y31-C41 CarbonylContact C-O 3.52Å; Y31-C41 WeakPolarHBondContact CA-O 3.4Å; Y31-C41 WeakPolarHBondContact CB-O 3.33Å; D32-C41 PolarHBondContact N-O 3.43Å; D32-C41 PolarHBondContact O-N 2.98Å; C41-E68 PolarHBondContact SG-OE2 3.07Å
42I98.6Very high98.2Very high0 Ų059.5 Ų59.50%032%0.316CS..EExtended strand (participates in β ladder)trans-125.3117.5-178.4-54.3-179.2000109K3 H4 F6 L23 V29 K30 I40 L51 L55K3-I42 WeakPolarHBondContact CA-O 3.38Å; H4-I42 PolarHBondContact N-O 3.28Å; H4-I42 PolarHBondContact O-N 3.04Å; F6-I42 HydrophobicContact CD2-CD1 3.98Å; F6-I42 HydrophobicContact CD2-CG1 4.36Å; F6-I42 HydrophobicContact CE2-CD1 3.97Å; F6-I42 HydrophobicContact CE2-CG1 4.45Å; L23-I42 HydrophobicContact CD1-CD1 4.17Å; L23-I42 HydrophobicContact CD2-CD1 4Å; V29-I42 HydrophobicContact CB-CG2 3.97Å; V29-I42 HydrophobicContact CG1-CG2 3.91Å; K30-I42 CarbonylContact O-C 3.54Å; K30-I42 WeakPolarHBondContact O-CA 3.47Å; I40-I42 HydrophobicContact CD1-CD1 4.18Å; I40-I42 HydrophobicContact CD1-CG1 4.09Å; I40-I42 HydrophobicContact CG1-CD1 4.42Å; I40-I42 HydrophobicContact CG1-CG1 3.91Å; I42-L51 HydrophobicContact CG2-CD1 4.2Å; I42-L51 HydrophobicContact CG2-CD2 4.1Å; I42-L55 HydrophobicContact CD1-CD1 4.1Å; I42-L55 HydrophobicContact CD1-CD2 4.34Å; I42-L55 HydrophobicContact CD1-CG 4.44Å
43E98.6Very high98.2Very high57 Ų5756.7 Ų56.727%0.26631%0.309SS..EExtended strand (participates in β ladder)trans-90.8115.8168.5178.8178.2-169.800109.3M1 P2 K3 K30M1-E43 HydrophobicContact CB-CG 3.74Å; M1-E43 HydrophobicContact CG-CG 4.43Å; M1-E43 PolarHBondContact N-OE1 3.12Å; M1-E43 HydrophobicContact SD-CG 4.36Å; P2-E43 WeakPolarHBondContact O-CA 3.47Å; K3-E43 HydrophobicContact CG-CB 4.24Å; K30-E43 HydrophobicContact CB-CB 4.29Å; K30-E43 PolarHBondContact N-O 3.12Å; K30-E43 PolarHBondContact O-N 3.24Å
44S98.1Very high98.2Very high0 Ų055 Ų550%030%0.301CS..EExtended strand (participates in β ladder)trans-162.6157.5-176.5-166.90000113.2P2 G28 H46P2-S44 WeakPolarHBondContact CD-O 3.4Å; P2-S44 VanDerWaalsContact CG-O 3.23Å; P2-S44 WeakPolarHBondContact CG-O 3.48Å; P2-S44 PolarHBondContact O-N 3.39Å; P2-S44 VanDerWaalsContact O-N 3.15Å; G28-S44 PolarHBondContact O-OG 3.32Å; S44-H46 PolarHBondContact OG-CD2 3.19Å; S44-H46 PolarHBondContact OG-N 3.15Å
45E97.8Very high98.2Very high136 Ų13652.5 Ų52.564%0.63629%0.287SS*.SBendtrans-91.6-5.2170.4-65.6-59.4147.300111.1M1M1-E45 WeakPolarHBondContact CA-OE1 3.43Å; M1-E45 HydrophobicContact CB-CG 4.22Å; M1-E45 WeakPolarHBondContact CB-OE1 3.3Å; M1-E45 HydrophobicContact CE-CB 4.17Å; M1-E45 HydrophobicContact CE-CG 3.66Å; M1-E45 VanDerWaalsContact CE-N 3.31Å; M1-E45 HydrophobicContact CG-CG 3.9Å; M1-E45 WeakPolarHBondContact CG-OE1 3.25Å
46H98.1Very high98.3Very high71 Ų7155.3 Ų55.333%0.32930%0.297SS..SBendtrans-68.5147.7176.1-65.8-59.6000111.2F26 S44 L51F26-H46 HydrophobicContact CE1-CB 4.28Å; F26-H46 AromaticContact CE1-CD2 3.26Å; F26-H46 WeakPolarHBondContact CE1-CD2 3.4Å; F26-H46 AromaticContact CE1-CG 3.74Å; F26-H46 AromaticContact CE1-NE2 3.73Å; F26-H46 HydrophobicContact CZ-CB 4.25Å; F26-H46 AromaticContact CZ-CD2 3.55Å; F26-H46 AromaticContact CZ-CE1 3.95Å; F26-H46 AromaticContact CZ-CG 3.65Å; F26-H46 AromaticContact CZ-ND1 3.88Å; F26-H46 AromaticContact CZ-NE2 3.77Å; S44-H46 PolarHBondContact OG-CD2 3.19Å; S44-H46 PolarHBondContact OG-N 3.15Å; H46-L51 HydrophobicContact CB-CD2 4Å; H46-L51 HydrophobicContact CB-CG 4.24Å
47S97.9Very high98.3Very high61 Ų6157 Ų5743%0.42729%0.292SS..  trans-64.2151.3177.5690000111.9D49 T50 L51S47-D49 PolarHBondContact O-N 3.4Å; S47-T50 WeakPolarHBondContact O-CB 3.49Å; S47-T50 PolarHBondContact O-N 3.45Å; S47-T50 PolarHBondContact OG-N 2.98Å; S47-T50 PolarHBondContact OG-OG1 2.88Å; S47-L51 WeakPolarHBondContact O-CG 3.34Å; S47-L51 PolarHBondContact O-N 2.98Å
48V98.1Very high98.2Very high37 Ų3753.7 Ų53.722%0.22428%0.276CS..Hα-helixtrans-52.4-40.7175.1177.80000111.4F6 T50 L51 L52 Y64F6-V48 HydrophobicContact CE1-CG1 4.21Å; F6-V48 HydrophobicContact CZ-CG1 4.23Å; V48-T50 VanDerWaalsContact C-N 3.33Å; V48-T50 PolarHBondContact O-N 3.38Å; V48-L51 PolarHBondContact O-N 3.19Å; V48-L52 VanDerWaalsContact O-CB 3.24Å; V48-L52 WeakPolarHBondContact O-CB 3.35Å; V48-L52 PolarHBondContact O-N 3.42Å; V48-Y64 HydrophobicContact CG1-CD1 3.88Å; V48-Y64 HydrophobicContact CG1-CD2 3.87Å; V48-Y64 HydrophobicContact CG1-CE1 4.02Å; V48-Y64 HydrophobicContact CG1-CE2 4.04Å; V48-Y64 HydrophobicContact CG1-CG 3.78Å; V48-Y64 HydrophobicContact CG2-CE1 4.22Å; V48-Y64 HydrophobicContact CG2-CE2 4.22Å
49D98.2Very high98.2Very high123 Ų12353.4 Ų53.466%0.65830%0.295SS*.Hα-helixtrans-62.8-39.5178.3-63.8-43000112.6S47 L52 A53S47-D49 PolarHBondContact O-N 3.4Å; D49-L52 PolarHBondContact O-N 3.27Å; D49-A53 VanDerWaalsContact O-CB 3.25Å; D49-A53 WeakPolarHBondContact O-CB 3.26Å; D49-A53 PolarHBondContact O-N 2.95Å
50T98.4Very high98.2Very high53 Ų5351 Ų5133%0.32529%0.285SS..Hα-helixtrans-67.4-42.8178-55.70000110.9F26 S47 V48 T54F26-T50 HydrophobicContact CE1-CG2 4.44Å; F26-T50 HydrophobicContact CE2-CG2 3.71Å; F26-T50 HydrophobicContact CZ-CG2 3.4Å; F26-T50 VanDerWaalsContact CZ-CG2 3.4Å; S47-T50 WeakPolarHBondContact O-CB 3.49Å; S47-T50 PolarHBondContact O-N 3.45Å; S47-T50 PolarHBondContact OG-N 2.98Å; S47-T50 PolarHBondContact OG-OG1 2.88Å; V48-T50 VanDerWaalsContact C-N 3.33Å; V48-T50 PolarHBondContact O-N 3.38Å; T50-T54 WeakPolarHBondContact O-CB 3.44Å; T50-T54 PolarHBondContact O-N 3.43Å; T50-T54 PolarHBondContact O-OG1 2.71Å
51L98.4Very high98.2Very high0 Ų055.8 Ų55.80%031%0.314CS..Hα-helixtrans-64.6-46.1176.2-63.2178.6000110.9H4 F6 F26 V29 I42 H46 S47 V48 A53 T54 L55H4-L51 HydrophobicContact CB-CD1 4.15Å; F6-L51 HydrophobicContact CE2-CB 4.1Å; F6-L51 HydrophobicContact CE2-CD1 4.21Å; F6-L51 HydrophobicContact CZ-CB 3.69Å; F6-L51 HydrophobicContact CZ-CD1 4.25Å; F26-L51 HydrophobicContact CE1-CD2 4.07Å; V29-L51 HydrophobicContact CG1-CD2 3.89Å; I42-L51 HydrophobicContact CG2-CD1 4.2Å; I42-L51 HydrophobicContact CG2-CD2 4.1Å; H46-L51 HydrophobicContact CB-CD2 4Å; H46-L51 HydrophobicContact CB-CG 4.24Å; S47-L51 WeakPolarHBondContact O-CG 3.34Å; S47-L51 PolarHBondContact O-N 2.98Å; V48-L51 PolarHBondContact O-N 3.19Å; L51-A53 PolarHBondContact O-N 2.92Å; L51-T54 WeakPolarHBondContact O-CB 3.27Å; L51-T54 PolarHBondContact O-N 2.88Å; L51-L55 WeakPolarHBondContact O-CG 3.48Å; L51-L55 PolarHBondContact O-N 2.93Å
52L98.3Very high98.2Very high34 Ų3455.3 Ų55.318%0.17831%0.311CS..Hα-helixtrans-60.6-46.2177.7-176.466.4000111.7F6 V48 D49 T54 L55 K56 V62F6-L52 HydrophobicContact CD1-CD1 4.28Å; F6-L52 HydrophobicContact CE1-CB 4.22Å; F6-L52 HydrophobicContact CE1-CD1 4.28Å; V48-L52 VanDerWaalsContact O-CB 3.24Å; V48-L52 WeakPolarHBondContact O-CB 3.35Å; V48-L52 PolarHBondContact O-N 3.42Å; D49-L52 PolarHBondContact O-N 3.27Å; L52-T54 VanDerWaalsContact C-N 3.29Å; L52-T54 PolarHBondContact O-N 2.88Å; L52-L55 PolarHBondContact O-N 2.81Å; L52-K56 HydrophobicContact CG-CD 4.41Å; L52-K56 WeakPolarHBondContact O-CB 3.48Å; L52-K56 WeakPolarHBondContact O-CG 3.44Å; L52-K56 PolarHBondContact O-N 3Å; L52-V62 HydrophobicContact CD1-CB 3.99Å; L52-V62 HydrophobicContact CD1-CG1 3.54Å
53A98.4Very high98.1Very high54 Ų5458.3 Ų58.345%0.44633%0.332SS..Hα-helixtrans-62.4-38.2176.900000111.7D49 L51 K56 K57D49-A53 VanDerWaalsContact O-CB 3.25Å; D49-A53 WeakPolarHBondContact O-CB 3.26Å; D49-A53 PolarHBondContact O-N 2.95Å; L51-A53 PolarHBondContact O-N 2.92Å; A53-K56 PolarHBondContact O-N 3.42Å; A53-K57 PolarHBondContact O-N 3.12Å
54T98.6Very high98.1Very high4 Ų459.7 Ų59.73%0.02534%0.335CS..Hα-helixtrans-65.2-47.4176.5-62.90000111.5L23 F26 T50 L51 L52 K56 K57L23-T54 HydrophobicContact CD2-CG2 4.13Å; F26-T54 HydrophobicContact CB-CG2 3.77Å; F26-T54 HydrophobicContact CD1-CG2 4.32Å; F26-T54 HydrophobicContact CD2-CG2 4.39Å; F26-T54 HydrophobicContact CG-CG2 3.91Å; T50-T54 WeakPolarHBondContact O-CB 3.44Å; T50-T54 PolarHBondContact O-N 3.43Å; T50-T54 PolarHBondContact O-OG1 2.71Å; L51-T54 WeakPolarHBondContact O-CB 3.27Å; L51-T54 PolarHBondContact O-N 2.88Å; L52-T54 VanDerWaalsContact C-N 3.29Å; L52-T54 PolarHBondContact O-N 2.88Å; T54-K56 VanDerWaalsContact C-N 3.31Å; T54-K56 PolarHBondContact O-N 3.49Å; T54-K57 VanDerWaalsContact O-CB 3.3Å; T54-K57 WeakPolarHBondContact O-CB 3.5Å; T54-K57 PolarHBondContact O-N 3.41Å; T54-K57 VanDerWaalsContact O-N 3.15Å
55L98.6Very high98.1Very high0 Ų064.1 Ų64.10%036%0.358CS..Hα-helixtrans-61.5-39176.7-68.5172.3000112F6 V8 V19 L23 I40 I42 L51 L52 K57 T58 V62F6-L55 HydrophobicContact CB-CD1 3.85Å; F6-L55 HydrophobicContact CD1-CD1 3.83Å; F6-L55 HydrophobicContact CD2-CD1 3.82Å; F6-L55 HydrophobicContact CE1-CD1 4.33Å; F6-L55 HydrophobicContact CE2-CD1 4.32Å; F6-L55 HydrophobicContact CG-CD1 3.55Å; V8-L55 HydrophobicContact CG2-CD1 4.31Å; V8-L55 HydrophobicContact CG2-CD2 4.45Å; V19-L55 HydrophobicContact CG1-CD2 3.7Å; L23-L55 HydrophobicContact CD1-CD2 4.21Å; L23-L55 HydrophobicContact CD2-CD2 4.14Å; L23-L55 HydrophobicContact CG-CD2 4.33Å; I40-L55 HydrophobicContact CD1-CD2 4.38Å; I40-L55 HydrophobicContact CG2-CD1 4.32Å; I42-L55 HydrophobicContact CD1-CD1 4.1Å; I42-L55 HydrophobicContact CD1-CD2 4.34Å; I42-L55 HydrophobicContact CD1-CG 4.44Å; L51-L55 WeakPolarHBondContact O-CG 3.48Å; L51-L55 PolarHBondContact O-N 2.93Å; L52-L55 PolarHBondContact O-N 2.81Å; L55-K57 PolarHBondContact O-N 3.38Å; L55-T58 WeakPolarHBondContact O-CB 3.2Å; L55-T58 WeakPolarHBondContact O-CG2 3.26Å; L55-T58 PolarHBondContact O-N 2.69Å; L55-T58 VanDerWaalsContact O-N 3.12Å; L55-T58 PolarHBondContact O-OG1 3.01Å; L55-V62 HydrophobicContact CB-CB 4.47Å; L55-V62 HydrophobicContact CB-CG1 3.91Å; L55-V62 HydrophobicContact CB-CG2 3.85Å; L55-V62 HydrophobicContact CD1-CG1 3.81Å
56K98.1Very high98.1Very high114 Ų11458.6 Ų58.650%0.49634%0.337SS..Hα-helixtrans-62.8-20177.1-77.6178.3176.9179.50114.1L52 A53 T54 T58 G59 V62L52-K56 HydrophobicContact CG-CD 4.41Å; L52-K56 WeakPolarHBondContact O-CB 3.48Å; L52-K56 WeakPolarHBondContact O-CG 3.44Å; L52-K56 PolarHBondContact O-N 3Å; A53-K56 PolarHBondContact O-N 3.42Å; T54-K56 VanDerWaalsContact C-N 3.31Å; T54-K56 PolarHBondContact O-N 3.49Å; K56-T58 PolarHBondContact O-N 2.77Å; K56-T58 VanDerWaalsContact O-N 3.12Å; K56-G59 PolarHBondContact O-N 3.45Å; K56-V62 HydrophobicContact CG-CB 4.32Å; K56-V62 HydrophobicContact CG-CG2 4.21Å
57K98Very high98Very high154 Ų15460.9 Ų60.967%0.6735%0.352SS*.THydrogen-bonded Turntrans-62.1-17.2173.5-66.2174.3-178.5170.60113.2V22 A53 T54 L55 G59V22-K57 HydrophobicContact CG1-CB 4.37Å; A53-K57 PolarHBondContact O-N 3.12Å; T54-K57 VanDerWaalsContact O-CB 3.3Å; T54-K57 WeakPolarHBondContact O-CB 3.5Å; T54-K57 PolarHBondContact O-N 3.41Å; T54-K57 VanDerWaalsContact O-N 3.15Å; L55-K57 PolarHBondContact O-N 3.38Å; K57-G59 PolarHBondContact O-N 2.95Å
58T97.4Very high97.6Very high31 Ų3165.9 Ų65.919%0.1937%0.368CS..THydrogen-bonded Turntrans-73.3-9.2172.764.20000113.6V19 V22 L55 K56 K60V19-T58 HydrophobicContact CG2-CG2 4.06Å; V22-T58 HydrophobicContact CB-CG2 4.45Å; V22-T58 HydrophobicContact CG1-CG2 3.97Å; V22-T58 HydrophobicContact CG2-CG2 3.58Å; L55-T58 WeakPolarHBondContact O-CB 3.2Å; L55-T58 WeakPolarHBondContact O-CG2 3.26Å; L55-T58 PolarHBondContact O-N 2.69Å; L55-T58 VanDerWaalsContact O-N 3.12Å; L55-T58 PolarHBondContact O-OG1 3.01Å; K56-T58 PolarHBondContact O-N 2.77Å; K56-T58 VanDerWaalsContact O-N 3.12Å; T58-K60 PolarHBondContact O-N 3.27Å; T58-K60 WeakPolarHBondContact OG1-CB 3.28Å; T58-K60 WeakPolarHBondContact OG1-CG 3.36Å; T58-K60 PolarHBondContact OG1-N 3.07Å
59G97.6Very high97.6Very high74 Ų7467.3 Ų67.376%0.76338%0.375SS*.SBendtrans73.19.4-173.800000114K56 K57K56-G59 PolarHBondContact O-N 3.45Å; K57-G59 PolarHBondContact O-N 2.95Å
60K97.3Very high97.5Very high44 Ų4464.4 Ų64.419%0.19136%0.36CS..SBendtrans-91.6157.2-178.1-61.1176.6-177.9-56.10111.4V8 M10 C15 V19 T58 V62V8-K60 HydrophobicContact CG1-CB 3.99Å; V8-K60 HydrophobicContact CG1-CD 3.84Å; M10-K60 HydrophobicContact CG-CD 4.49Å; C15-K60 PolarHBondContact SG-NZ 2.8Å; V19-K60 HydrophobicContact CG2-CD 4.27Å; T58-K60 PolarHBondContact O-N 3.27Å; T58-K60 WeakPolarHBondContact OG1-CB 3.28Å; T58-K60 WeakPolarHBondContact OG1-CG 3.36Å; T58-K60 PolarHBondContact OG1-N 3.07Å; K60-V62 PolarHBondContact O-N 3.39Å
61T98.3Very high97.5Very high101 Ų10165 Ų6562%0.6236%0.362SS*.  trans-66.5128.3166-570000109.2V8 D9V8-T61 WeakPolarHBondContact CA-O 3.39Å; D9-T61 PolarHBondContact N-O 2.97Å
62V98.6Very high97.4Very high14 Ų1468.8 Ų68.89%0.08538%0.384CS..EExtended strand (participates in β ladder)trans-133131.9-179.5-172.80000109.9F6 S7 V8 L52 L55 K56 K60F6-V62 HydrophobicContact CB-CG1 4.33Å; F6-V62 HydrophobicContact CD1-CG1 4.16Å; S7-V62 VanDerWaalsContact O-CA 3.3Å; S7-V62 WeakPolarHBondContact O-CA 3.22Å; V8-V62 HydrophobicContact CG1-CG2 4.27Å; V8-V62 HydrophobicContact CG2-CG1 4.13Å; V8-V62 HydrophobicContact CG2-CG2 4.31Å; L52-V62 HydrophobicContact CD1-CB 3.99Å; L52-V62 HydrophobicContact CD1-CG1 3.54Å; L55-V62 HydrophobicContact CB-CB 4.47Å; L55-V62 HydrophobicContact CB-CG1 3.91Å; L55-V62 HydrophobicContact CB-CG2 3.85Å; L55-V62 HydrophobicContact CD1-CG1 3.81Å; K56-V62 HydrophobicContact CG-CB 4.32Å; K56-V62 HydrophobicContact CG-CG2 4.21Å; K60-V62 PolarHBondContact O-N 3.39Å
63S98.3Very high97.4Very high63 Ų6371 Ų7144%0.44140%0.397SS..EExtended strand (participates in β ladder)trans-129.5141175.2-61.20000110.4F6 S7F6-S63 CarbonylContact C-O 3.52Å; F6-S63 VanDerWaalsContact CA-O 3.26Å; F6-S63 WeakPolarHBondContact CA-O 3.07Å; S7-S63 PolarHBondContact N-O 3.45Å; S7-S63 PolarHBondContact O-N 3.39Å
64Y98.5Very high97.3Very high85 Ų8572.1 Ų72.133%0.33339%0.393SS..EExtended strand (participates in β ladder)trans-83.6131.3172.8-177.9-125.7000110.1H4 V5 F6 V48 G66H4-Y64 HydrophobicContact CB-CE2 3.94Å; H4-Y64 AromaticContact ND1-CE2 3.85Å; H4-Y64 AromaticContact ND1-CZ 3.82Å; H4-Y64 PolarHBondContact ND1-OH 3.17Å; H4-Y64 VanDerWaalsContact ND1-OH 3.07Å; V5-Y64 VanDerWaalsContact O-CD2 3.26Å; V5-Y64 WeakPolarHBondContact O-CD2 3.44Å; F6-Y64 AromaticContact CD1-CD2 3.86Å; F6-Y64 HydrophobicContact CD1-CD2 3.86Å; F6-Y64 HydrophobicContact CD1-CG 4.47Å; F6-Y64 AromaticContact CE1-CD2 3.53Å; F6-Y64 HydrophobicContact CE1-CD2 3.53Å; F6-Y64 HydrophobicContact CE1-CE2 4.38Å; F6-Y64 HydrophobicContact CE1-CG 4.16Å; F6-Y64 HydrophobicContact CE2-CD2 4.29Å; F6-Y64 HydrophobicContact CG-CD2 4.36Å; F6-Y64 AromaticContact CZ-CD2 3.76Å; F6-Y64 HydrophobicContact CZ-CD2 3.76Å; F6-Y64 HydrophobicContact CZ-CE2 4.18Å; V48-Y64 HydrophobicContact CG1-CD1 3.88Å; V48-Y64 HydrophobicContact CG1-CD2 3.87Å; V48-Y64 HydrophobicContact CG1-CE1 4.02Å; V48-Y64 HydrophobicContact CG1-CE2 4.04Å; V48-Y64 HydrophobicContact CG1-CG 3.78Å; V48-Y64 HydrophobicContact CG2-CE1 4.22Å; V48-Y64 HydrophobicContact CG2-CE2 4.22Å; Y64-G66 WeakPolarHBondContact CE2-O 3.45Å; Y64-G66 VanDerWaalsContact CZ-C 3.44Å; Y64-G66 VanDerWaalsContact CZ-CA 3.46Å; Y64-G66 VanDerWaalsContact OH-C 3.23Å; Y64-G66 PolarHBondContact OH-O 2.81Å
65L98.2Very high97.2Very high94 Ų9477 Ų7749%0.49242%0.42SS..EExtended strand (participates in β ladder)trans-103.1-16.5-178.7-58.7-174.7000113.1V5 K39V5-L65 HydrophobicContact CB-CB 4.2Å; V5-L65 HydrophobicContact CG1-CB 4.17Å; V5-L65 HydrophobicContact CG1-CD1 4.05Å; V5-L65 WeakPolarHBondContact O-CB 3.39Å; V5-L65 PolarHBondContact O-N 2.94Å; K39-L65 HydrophobicContact CD-CD1 4.37Å; K39-L65 HydrophobicContact CG-CD1 4.17Å
66G97.1Very high97.1Very high19 Ų1982.9 Ų82.920%0.19645%0.452CS..EExtended strand (participates in β ladder)trans126.3-167.3177.700000113.7V5 Y64V5-G66 PolarHBondContact N-O 2.89Å; Y64-G66 WeakPolarHBondContact CE2-O 3.45Å; Y64-G66 VanDerWaalsContact CZ-C 3.44Å; Y64-G66 VanDerWaalsContact CZ-CA 3.46Å; Y64-G66 VanDerWaalsContact OH-C 3.23Å; Y64-G66 PolarHBondContact OH-O 2.81Å
67L95.6Very high97Very high119 Ų11980.3 Ų80.362%0.62345%0.448SS*.EExtended strand (participates in β ladder)trans-87149.6172.4-70.2169.6000110.4P2 K3 H4P2-L67 HydrophobicContact CB-CD2 3.99Å; K3-L67 VanDerWaalsContact O-CA 3.27Å; K3-L67 WeakPolarHBondContact O-CA 3.29Å; K3-L67 VanDerWaalsContact O-CD2 3.32Å; K3-L67 WeakPolarHBondContact O-CD2 3.3Å; H4-L67 VanDerWaalsContact CE1-CD2 3.48Å; H4-L67 WeakPolarHBondContact CE1-CD2 3.13Å; H4-L67 WeakPolarHBondContact ND1-CD2 3.1Å
68E89.5Confident96.9Very high166 Ų16673.6 Ų73.678%0.77643%0.428SS*.  trans-101.70168.4-164.8-174.5141.200111.6K3 V5 C41K3-E68 HydrophobicContact CB-CB 3.96Å; K3-E68 HydrophobicContact CD-CB 4.47Å; K3-E68 PolarHBondContact O-N 2.72Å; V5-E68 HydrophobicContact CG2-CB 3.84Å; C41-E68 PolarHBondContact SG-OE2 3.07Å

Retrieved 68 of 68 residues in 23.6 ms (Link to these results)

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