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Copper chaperone CopZ

Chaperone that serves for the intracellular sequestration and transport of Cu(+). Delivers Cu(+) to the copper-exporting P-type ATPase A (CopA) (By similarity).

AlphaFold DB (Q2FV63), UniProt , Accession Q99R79, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene copZ, 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
1M90.4Very high95.5Very high140 Ų14067.6 Ų67.669%0.6937%0.368SS*.  0110.50-69.3-51.9-72.900107.3T31 Y46 D47M1-T31 HydrophobicContact CE-CG2 3.75Å; M1-T31 WeakPolarHBondContact CE-OG1 3.04Å; M1-Y46 CarbonylContact C-O 3.58Å; M1-Y46 WeakPolarHBondContact CA-O 3.41Å; M1-D47 HydrophobicContact SD-CB 4.46Å
2S96.9Very high95Very high37 Ų3770.9 Ų70.926%0.25940%0.4SS..EExtended strand (participates in β ladder)trans-125.9156.7-174.6-62.10000108.7Q45 Y46 D48S2-Q45 WeakPolarHBondContact O-CA 3.46Å; S2-Y46 PolarHBondContact N-O 3.27Å; S2-Y46 PolarHBondContact O-N 3Å; S2-D48 PolarHBondContact OG-OD2 3.2Å
3Q96.9Very high94.6Very high118 Ų11869.8 Ų69.855%0.55140%0.399SS*.EExtended strand (participates in β ladder)trans-127.4133.9176.1-178.4177.3-13.500108.7S43 V44 Q45Q3-S43 PolarHBondContact NE2-OG 3.47Å; Q3-V44 VanDerWaalsContact CA-O 3.29Å; Q3-V44 WeakPolarHBondContact CA-O 3.32Å; Q3-Q45 HydrophobicContact CG-CG 4.38Å
4E97.3Very high94.3Very high82 Ų8268.2 Ų68.238%0.38341%0.405SS..EExtended strand (participates in β ladder)trans-127.3150.4175-82.7-65.6166.400110.8S43 V44 Y46 V53E4-S43 CarbonylContact O-C 3.55Å; E4-S43 WeakPolarHBondContact O-CA 3.29Å; E4-V44 PolarHBondContact N-O 3.17Å; E4-V44 PolarHBondContact O-N 2.91Å; E4-Y46 HydrophobicContact CB-CE1 3.95Å; E4-Y46 HydrophobicContact CG-CE1 3.68Å; E4-V53 HydrophobicContact CG-CG2 4.01Å
5I97.7Very high94.1Very high90 Ų9074.4 Ų74.446%0.46243%0.427SS..EExtended strand (participates in β ladder)trans-117.1116.6171.5-61.7177.2000106.9Q41 V42I5-Q41 HydrophobicContact CG2-CB 4.14Å; I5-Q41 HydrophobicContact CG2-CG 4.06Å; I5-V42 WeakPolarHBondContact CA-O 3.41Å
6L97.4Very high94Very high8 Ų870.6 Ų70.64%0.04241%0.407CS..EExtended strand (participates in β ladder)trans-104.3130.6177.9-54.5175.1000108.7V8 Q41 V42 V44 V53 M56 I60 V67L6-V8 HydrophobicContact CB-CG2 4.4Å; L6-Q41 CarbonylContact O-C 3.56Å; L6-Q41 VanDerWaalsContact O-CA 3.3Å; L6-Q41 WeakPolarHBondContact O-CA 3.48Å; L6-V42 HydrophobicContact CB-CG1 3.76Å; L6-V42 HydrophobicContact CD1-CG1 4.29Å; L6-V42 HydrophobicContact CG-CG1 4.4Å; L6-V42 PolarHBondContact N-O 2.9Å; L6-V42 PolarHBondContact O-N 3.31Å; L6-V44 HydrophobicContact CD1-CG2 4.44Å; L6-V53 HydrophobicContact CD2-CG1 4.02Å; L6-M56 HydrophobicContact CD1-CB 4.41Å; L6-I60 HydrophobicContact CD1-CD1 3.71Å; L6-V67 HydrophobicContact CB-CG1 4.03Å; L6-V67 HydrophobicContact CD2-CG1 4.43Å
7N97.4Very high94.1Very high62 Ų6270.2 Ų70.233%0.33240%0.399SS..EExtended strand (participates in β ladder)trans-82.4131.5168.8-51.5-60.7000108.1G40 Q41 V67 V68N7-G40 WeakPolarHBondContact CA-O 3.5Å; N7-Q41 WeakPolarHBondContact OD1-CG 3.31Å; N7-Q41 PolarHBondContact OD1-NE2 2.98Å; N7-V67 WeakPolarHBondContact O-CA 3.29Å; N7-V67 WeakPolarHBondContact O-CG1 3.29Å; N7-V68 HydrophobicContact CB-CG2 3.54Å; N7-V68 WeakPolarHBondContact CB-O 3.35Å; N7-V68 PolarHBondContact ND2-O 3.35Å; N7-V68 PolarHBondContact O-N 2.99Å
8V96.6Very high94.2Very high5 Ų569.7 Ų69.73%0.0340%0.401CS..EExtended strand (participates in β ladder)trans-131.1121.4-174.2-1790000108.9L6 M11 G40 V42 I60 Y65 D66 V67L6-V8 HydrophobicContact CB-CG2 4.4Å; V8-M11 HydrophobicContact CB-CE 3.56Å; V8-M11 HydrophobicContact CB-SD 4.38Å; V8-M11 HydrophobicContact CG1-CE 3.77Å; V8-M11 HydrophobicContact CG1-CG 4.03Å; V8-M11 HydrophobicContact CG1-SD 3.98Å; V8-M11 HydrophobicContact CG2-CE 4.46Å; V8-G40 PolarHBondContact N-O 3.21Å; V8-V42 HydrophobicContact CG2-CG1 3.84Å; V8-I60 HydrophobicContact CG1-CG2 3.68Å; V8-I60 HydrophobicContact CG2-CD1 4.08Å; V8-I60 HydrophobicContact CG2-CG2 4.16Å; V8-Y65 HydrophobicContact CG1-CG 4.35Å; V8-D66 CarbonylContact C-O 3.6Å; V8-D66 VanDerWaalsContact CA-O 3.29Å; V8-D66 WeakPolarHBondContact CA-O 3.5Å; V8-V67 HydrophobicContact CG2-CG2 4.37Å
9E94.9Very high94.3Very high117 Ų11767.3 Ų67.355%0.54739%0.389SS..EExtended strand (participates in β ladder)trans-94157.1178.4-62.2-163.6114.600111.5M11 Y65 D66 V68E9-M11 PolarHBondContact O-N 3.26Å; E9-Y65 WeakPolarHBondContact O-CB 3.2Å; E9-D66 HydrophobicContact CB-CB 4.49Å; E9-D66 PolarHBondContact N-O 2.6Å; E9-V68 HydrophobicContact CG-CG1 4.22Å; E9-V68 HydrophobicContact CG-CG2 4.29Å
10G92.4Very high94.5Very high62 Ų6263.9 Ų63.964%0.63937%0.37SS*.SBendtrans87.9-12.8177.500000115.8S12G10-S12 PolarHBondContact O-N 3.05Å
11M92.6Very high94.6Very high23 Ų2362.3 Ų62.311%0.11336%0.359CS..  trans-72.8120.9172.5-63-174.1-61.400111V8 E9 C16 V20 V35 L37 Y65V8-M11 HydrophobicContact CB-CE 3.56Å; V8-M11 HydrophobicContact CB-SD 4.38Å; V8-M11 HydrophobicContact CG1-CE 3.77Å; V8-M11 HydrophobicContact CG1-CG 4.03Å; V8-M11 HydrophobicContact CG1-SD 3.98Å; V8-M11 HydrophobicContact CG2-CE 4.46Å; E9-M11 PolarHBondContact O-N 3.26Å; M11-C16 HydrophobicContact CB-CB 3.96Å; M11-C16 HydrophobicContact CG-CB 4.11Å; M11-V20 HydrophobicContact CG-CG2 4.23Å; M11-V20 HydrophobicContact SD-CB 4.06Å; M11-V20 HydrophobicContact SD-CG1 4.35Å; M11-V20 HydrophobicContact SD-CG2 3.65Å; M11-V35 HydrophobicContact CE-CG1 3.84Å; M11-V35 HydrophobicContact SD-CG1 3.83Å; M11-V35 HydrophobicContact SD-CG2 4.3Å; M11-L37 HydrophobicContact CB-CD2 3.77Å; M11-Y65 HydrophobicContact CG-CD1 3.83Å; M11-Y65 HydrophobicContact CG-CE1 3.95Å; M11-Y65 HydrophobicContact CG-CG 4.17Å
12S89.1Confident94.9Very high107 Ų10758.7 Ų58.775%0.74835%0.348SS*.  trans-129.8-7.1-176.2570000115.1G10G10-S12 PolarHBondContact O-N 3.05Å
13C90.8Very high95Very high57 Ų5757.7 Ų57.739%0.38534%0.342SS..SBendtrans-148.8170.3-177.776.90000112.8H15 C16 K17C13-H15 PolarHBondContact O-N 3.38Å; C13-H15 PolarHBondContact SG-N 3.4Å; C13-C16 WeakPolarHBondContact O-CB 3.16Å; C13-C16 PolarHBondContact O-N 3.27Å; C13-K17 PolarHBondContact O-N 3.36Å; C13-K17 VanDerWaalsContact O-N 3.16Å
14G89.2Confident95Very high47 Ų4752.1 Ų52.149%0.48532%0.316SS..Hα-helixtrans-57.6-30.8177.600000113.7K17 S18G14-K17 PolarHBondContact O-N 2.68Å; G14-S18 PolarHBondContact O-N 3.44Å; G14-S18 PolarHBondContact O-OG 3.3Å
15H92.5Very high95Very high161 Ų16151.7 Ų51.775%0.74532%0.316SS*.Hα-helixtrans-68.6-39.1176.4-144.497.9000111.9C13 S18 A19C13-H15 PolarHBondContact O-N 3.38Å; C13-H15 PolarHBondContact SG-N 3.4Å; H15-S18 PolarHBondContact O-N 2.89Å; H15-A19 WeakPolarHBondContact O-CB 3.49Å; H15-A19 PolarHBondContact O-N 2.94Å
16C92.7Very high95Very high14 Ų1453.9 Ų53.910%0.09533%0.329CS..Hα-helixtrans-62.4-44.9174.7-57.80000111.2M11 C13 S18 A19 V20 Y65M11-C16 HydrophobicContact CB-CB 3.96Å; M11-C16 HydrophobicContact CG-CB 4.11Å; C13-C16 WeakPolarHBondContact O-CB 3.16Å; C13-C16 PolarHBondContact O-N 3.27Å; C16-S18 PolarHBondContact O-N 2.91Å; C16-A19 PolarHBondContact O-N 3.24Å; C16-V20 PolarHBondContact O-N 3.09Å; C16-V20 VanDerWaalsContact O-N 3.09Å; C16-Y65 VanDerWaalsContact CA-OH 3.29Å; C16-Y65 WeakPolarHBondContact CA-OH 3.36Å; C16-Y65 HydrophobicContact CB-CE1 4.02Å; C16-Y65 VanDerWaalsContact CB-OH 3.25Å; C16-Y65 WeakPolarHBondContact CB-OH 3.46Å; C16-Y65 PolarHBondContact SG-OH 3.49Å
17K95.1Very high95Very high64 Ų6455.1 Ų55.128%0.27834%0.335SS..Hα-helixtrans-54.3-53.9173.4152.5162176.8128.20111.2C13 G14 A19 V20 E21 V35 L37C13-K17 PolarHBondContact O-N 3.36Å; C13-K17 VanDerWaalsContact O-N 3.16Å; G14-K17 PolarHBondContact O-N 2.68Å; K17-A19 VanDerWaalsContact C-N 3.28Å; K17-A19 PolarHBondContact O-N 3.27Å; K17-V20 PolarHBondContact O-N 3.32Å; K17-E21 WeakPolarHBondContact CE-OE1 3.37Å; K17-E21 WeakPolarHBondContact CE-OE2 3.25Å; K17-E21 HydrophobicContact CG-CG 4.42Å; K17-E21 IonicContact NZ-OE1 3.79Å; K17-E21 PolarHBondContact NZ-OE1 2.94Å; K17-E21 WeakPolarHBondContact O-CG 3.37Å; K17-E21 PolarHBondContact O-N 3.02Å; K17-V35 HydrophobicContact CB-CB 4.17Å; K17-V35 HydrophobicContact CB-CG1 3.87Å; K17-V35 HydrophobicContact CD-CB 4.12Å; K17-V35 HydrophobicContact CD-CG1 4.28Å; K17-V35 HydrophobicContact CG-CB 3.9Å; K17-V35 HydrophobicContact CG-CG1 4.11Å; K17-V35 PolarHBondContact NZ-O 3.05Å; K17-L37 HydrophobicContact CB-CD1 3.95Å; K17-L37 HydrophobicContact CB-CD2 3.98Å; K17-L37 HydrophobicContact CB-CG 3.98Å; K17-L37 HydrophobicContact CD-CD1 4.41Å; K17-L37 HydrophobicContact CD-CG 4.44Å
18S96Very high95.1Very high61 Ų6157.9 Ų57.943%0.42735%0.35SS..Hα-helixtrans-63.2-34-178.5-63.60000112.9G14 H15 C16 S22G14-S18 PolarHBondContact O-N 3.44Å; G14-S18 PolarHBondContact O-OG 3.3Å; H15-S18 PolarHBondContact O-N 2.89Å; C16-S18 PolarHBondContact O-N 2.91Å; S18-S22 WeakPolarHBondContact O-CB 3.29Å; S18-S22 PolarHBondContact O-N 3.38Å; S18-S22 PolarHBondContact O-OG 3.46Å
19A96.2Very high95.1Very high23 Ų2358 Ų5819%0.1935%0.352CS..Hα-helixtrans-63.1-49.1175.600000111.7H15 C16 K17 S22 A23H15-A19 WeakPolarHBondContact O-CB 3.49Å; H15-A19 PolarHBondContact O-N 2.94Å; C16-A19 PolarHBondContact O-N 3.24Å; K17-A19 VanDerWaalsContact C-N 3.28Å; K17-A19 PolarHBondContact O-N 3.27Å; A19-S22 PolarHBondContact O-N 3.22Å; A19-A23 WeakPolarHBondContact O-CB 3.49Å; A19-A23 PolarHBondContact O-N 3.42Å
20V97.1Very high95.3Very high0 Ų053.3 Ų53.30%033%0.331CS..Hα-helixtrans-65.2-47.5178.7169.80000111.8M11 C16 K17 S22 A23 L24 V35 V42 I60 Y65M11-V20 HydrophobicContact CG-CG2 4.23Å; M11-V20 HydrophobicContact SD-CB 4.06Å; M11-V20 HydrophobicContact SD-CG1 4.35Å; M11-V20 HydrophobicContact SD-CG2 3.65Å; C16-V20 PolarHBondContact O-N 3.09Å; C16-V20 VanDerWaalsContact O-N 3.09Å; K17-V20 PolarHBondContact O-N 3.32Å; V20-S22 VanDerWaalsContact C-N 3.3Å; V20-S22 PolarHBondContact O-N 3.04Å; V20-A23 PolarHBondContact O-N 2.87Å; V20-L24 HydrophobicContact CG1-CD1 3.86Å; V20-L24 WeakPolarHBondContact O-CG 3.25Å; V20-L24 PolarHBondContact O-N 3.26Å; V20-V35 HydrophobicContact CB-CG2 4.07Å; V20-V35 HydrophobicContact CG1-CG2 3.76Å; V20-V42 HydrophobicContact CG1-CB 4.47Å; V20-V42 HydrophobicContact CG1-CG2 4.36Å; V20-I60 HydrophobicContact CG1-CG1 4.2Å; V20-I60 HydrophobicContact CG2-CG2 4.47Å; V20-Y65 HydrophobicContact CG2-CD2 3.43Å; V20-Y65 VanDerWaalsContact CG2-CD2 3.43Å; V20-Y65 HydrophobicContact CG2-CE2 3.66Å; V20-Y65 HydrophobicContact CG2-CG 4.24Å
21E97.6Very high95.6Very high30 Ų3054.2 Ų54.214%0.1433%0.325CS..Hα-helixtrans-59.5-42.6177.1-68.1177.3160.500111K17 N25 A33 V35K17-E21 WeakPolarHBondContact CE-OE1 3.37Å; K17-E21 WeakPolarHBondContact CE-OE2 3.25Å; K17-E21 HydrophobicContact CG-CG 4.42Å; K17-E21 IonicContact NZ-OE1 3.79Å; K17-E21 PolarHBondContact NZ-OE1 2.94Å; K17-E21 WeakPolarHBondContact O-CG 3.37Å; K17-E21 PolarHBondContact O-N 3.02Å; E21-N25 VanDerWaalsContact O-CB 3.26Å; E21-N25 WeakPolarHBondContact O-CB 3.26Å; E21-N25 VanDerWaalsContact O-CG 3.27Å; E21-N25 PolarHBondContact O-N 3.27Å; E21-N25 PolarHBondContact O-ND2 2.95Å; E21-A33 WeakPolarHBondContact CG-O 3.45Å; E21-V35 HydrophobicContact CG-CB 3.98Å; E21-V35 HydrophobicContact CG-CG2 3.54Å; E21-V35 PolarHBondContact OE1-N 3.16Å
22S97.5Very high95.8Very high64 Ų6454.2 Ų54.245%0.44833%0.327SS..Hα-helixtrans-68.1-40.8179.3-59.90000112.2S18 A19 V20 N26S18-S22 WeakPolarHBondContact O-CB 3.29Å; S18-S22 PolarHBondContact O-N 3.38Å; S18-S22 PolarHBondContact O-OG 3.46Å; A19-S22 PolarHBondContact O-N 3.22Å; V20-S22 VanDerWaalsContact C-N 3.3Å; V20-S22 PolarHBondContact O-N 3.04Å; S22-N26 WeakPolarHBondContact O-CB 3.45Å; S22-N26 VanDerWaalsContact O-CG 3.28Å; S22-N26 PolarHBondContact O-N 3.38Å; S22-N26 PolarHBondContact O-ND2 2.95Å
23A97.4Very high96.2Very high17 Ų1749.3 Ų49.314%0.1429%0.293CS..Hα-helixtrans-60.8-47.1177.900000111.2A19 V20 N26 Q63A19-A23 WeakPolarHBondContact O-CB 3.49Å; A19-A23 PolarHBondContact O-N 3.42Å; V20-A23 PolarHBondContact O-N 2.87Å; A23-N26 PolarHBondContact O-N 2.82Å; A23-Q63 HydrophobicContact CB-CG 3.58Å
24L98.3Very high96.5Very high0 Ų051 Ų510%030%0.298CS..Hα-helixtrans-69.1-45.5-179.7-69.5167.8000112.6V20 N26 I27 V30 A33 V42 V44 M56 I60V20-L24 HydrophobicContact CG1-CD1 3.86Å; V20-L24 WeakPolarHBondContact O-CG 3.25Å; V20-L24 PolarHBondContact O-N 3.26Å; L24-N26 PolarHBondContact O-N 2.83Å; L24-N26 VanDerWaalsContact O-N 3.15Å; L24-I27 HydrophobicContact CD2-CD1 4.2Å; L24-I27 WeakPolarHBondContact O-CB 3.37Å; L24-I27 PolarHBondContact O-N 2.84Å; L24-V30 VanDerWaalsContact O-CB 3.29Å; L24-V30 WeakPolarHBondContact O-CB 3.48Å; L24-V30 WeakPolarHBondContact O-CG1 3.39Å; L24-V30 WeakPolarHBondContact O-CG2 3.47Å; L24-A33 HydrophobicContact CB-CB 3.49Å; L24-A33 VanDerWaalsContact CB-CB 3.49Å; L24-A33 HydrophobicContact CD1-CB 3.77Å; L24-A33 HydrophobicContact CG-CB 4.3Å; L24-V42 HydrophobicContact CD1-CB 4.48Å; L24-V42 HydrophobicContact CD1-CG1 4.07Å; L24-V42 HydrophobicContact CD1-CG2 3.68Å; L24-V44 HydrophobicContact CD1-CG2 3.88Å; L24-M56 HydrophobicContact CD2-CB 3.7Å; L24-M56 HydrophobicContact CD2-CG 4.16Å; L24-M56 WeakPolarHBondContact CD2-O 3.3Å; L24-I60 HydrophobicContact CD1-CD1 4.12Å; L24-I60 HydrophobicContact CD1-CG1 4.19Å; L24-I60 HydrophobicContact CD2-CD1 4.13Å; L24-I60 HydrophobicContact CD2-CG1 4.03Å; L24-I60 HydrophobicContact CG-CD1 4.48Å; L24-I60 HydrophobicContact CG-CG1 4.18Å
25N97.5Very high96.9Very high73 Ų7349.1 Ų49.139%0.3928%0.277SS..Hα-helixtrans-66.9-14.4-179.2-73.8-49.3000113.5E21 S32 A33E21-N25 VanDerWaalsContact O-CB 3.26Å; E21-N25 WeakPolarHBondContact O-CB 3.26Å; E21-N25 VanDerWaalsContact O-CG 3.27Å; E21-N25 PolarHBondContact O-N 3.27Å; E21-N25 PolarHBondContact O-ND2 2.95Å; N25-S32 WeakPolarHBondContact OD1-CA 3.47Å; N25-A33 PolarHBondContact OD1-N 3.49Å
26N97.3Very high97.1Very high137 Ų13744.4 Ų44.473%0.73326%0.257SS*.THydrogen-bonded Turntrans-84.8-6.6174.2-79.2-39.4000113.8S22 A23 L24S22-N26 WeakPolarHBondContact O-CB 3.45Å; S22-N26 VanDerWaalsContact O-CG 3.28Å; S22-N26 PolarHBondContact O-N 3.38Å; S22-N26 PolarHBondContact O-ND2 2.95Å; A23-N26 PolarHBondContact O-N 2.82Å; L24-N26 PolarHBondContact O-N 2.83Å; L24-N26 VanDerWaalsContact O-N 3.15Å
27I97.8Very high97.1Very high34 Ų3446.7 Ų46.717%0.17427%0.269CS..SBendtrans-84.1127.7179.6-53.8171.4000109.6L24 G29 V30 V51 M56 A59L24-I27 HydrophobicContact CD2-CD1 4.2Å; L24-I27 WeakPolarHBondContact O-CB 3.37Å; L24-I27 PolarHBondContact O-N 2.84Å; I27-G29 PolarHBondContact O-N 2.85Å; I27-V30 HydrophobicContact CB-CB 4.48Å; I27-V30 HydrophobicContact CB-CG2 3.9Å; I27-V30 HydrophobicContact CG2-CG2 4.36Å; I27-V30 PolarHBondContact O-N 2.88Å; I27-V51 HydrophobicContact CG2-CB 4.32Å; I27-V51 HydrophobicContact CG2-CG2 3.63Å; I27-M56 HydrophobicContact CD1-CG 4.28Å; I27-A59 HydrophobicContact CD1-CB 3.6Å; I27-A59 HydrophobicContact CG1-CB 4.45Å
28D98Very high97Very high119 Ų11952.5 Ų52.564%0.63630%0.297SS*.THydrogen-bonded Turntrans-60.1129.8174.1-176.943.3000110.6K50D28-K50 IonicContact OD1-NZ 2.85Å
29G98Very high96.9Very high8 Ų854.4 Ų54.48%0.08230%0.302CS..THydrogen-bonded Turntrans97.4-18.7-17300000114.4I27 Y46 D47I27-G29 PolarHBondContact O-N 2.85Å; G29-Y46 CarbonylContact O-C 3.45Å; G29-Y46 WeakPolarHBondContact O-CA 3.35Å; G29-D47 PolarHBondContact O-N 3.31Å
30V98.4Very high96.9Very high18 Ų1854.5 Ų54.511%0.10931%0.305CS..EExtended strand (participates in β ladder)trans-80.2135.3169.2178.20000109.5L24 I27 V44 V51 M56L24-V30 VanDerWaalsContact O-CB 3.29Å; L24-V30 WeakPolarHBondContact O-CB 3.48Å; L24-V30 WeakPolarHBondContact O-CG1 3.39Å; L24-V30 WeakPolarHBondContact O-CG2 3.47Å; I27-V30 HydrophobicContact CB-CB 4.48Å; I27-V30 HydrophobicContact CB-CG2 3.9Å; I27-V30 HydrophobicContact CG2-CG2 4.36Å; I27-V30 PolarHBondContact O-N 2.88Å; V30-V44 HydrophobicContact CG1-CG1 3.79Å; V30-V44 HydrophobicContact CG2-CG1 4.27Å; V30-V51 HydrophobicContact CG2-CG1 4.26Å; V30-M56 HydrophobicContact CG2-CG 4.28Å; V30-M56 HydrophobicContact CG2-SD 3.9Å
31T97.8Very high96.9Very high81 Ų8157.2 Ų57.250%0.49732%0.318SS..EExtended strand (participates in β ladder)trans-113.9-31.8-178.5540000113.1M1 Q45M1-T31 HydrophobicContact CE-CG2 3.75Å; M1-T31 WeakPolarHBondContact CE-OG1 3.04Å; T31-Q45 PolarHBondContact N-O 3.07Å; T31-Q45 VanDerWaalsContact OG1-C 3.32Å; T31-Q45 WeakPolarHBondContact OG1-CB 3.38Å; T31-Q45 PolarHBondContact OG1-O 3.15Å
32S97.6Very high96.9Very high23 Ų2355.8 Ų55.816%0.16131%0.311CS..EExtended strand (participates in β ladder)trans-150.8149.7165.598.30000110.4N25 D34 V44 Q45N25-S32 WeakPolarHBondContact OD1-CA 3.47Å; S32-D34 PolarHBondContact OG-OD2 3.43Å; S32-D34 VanDerWaalsContact OG-OD2 3.06Å; S32-V44 CarbonylContact O-C 3.54Å; S32-V44 WeakPolarHBondContact O-CA 3.46Å; S32-V44 WeakPolarHBondContact O-CG1 3.29Å; S32-Q45 PolarHBondContact N-O 3.47Å; S32-Q45 PolarHBondContact O-N 3.06Å; S32-Q45 PolarHBondContact OG-NE2 3.45Å
33A98.1Very high96.9Very high4 Ų454.2 Ų54.23%0.03330%0.3CS..EExtended strand (participates in β ladder)trans-136.3121.4167.100000108.2E21 L24 N25 V42 S43 V44E21-A33 WeakPolarHBondContact CG-O 3.45Å; L24-A33 HydrophobicContact CB-CB 3.49Å; L24-A33 VanDerWaalsContact CB-CB 3.49Å; L24-A33 HydrophobicContact CD1-CB 3.77Å; L24-A33 HydrophobicContact CG-CB 4.3Å; N25-A33 PolarHBondContact OD1-N 3.49Å; A33-V42 HydrophobicContact CB-CG2 4.29Å; A33-S43 WeakPolarHBondContact CA-O 3.41Å; A33-V44 HydrophobicContact CB-CG1 4.49Å; A33-V44 HydrophobicContact CB-CG2 4.44Å
34D97.2Very high96.9Very high93 Ų9353.4 Ų53.450%0.49729%0.293SS..EExtended strand (participates in β ladder)trans-125.5113.1-174.5-73.4-88.4000109.7S32 V42 S43S32-D34 PolarHBondContact OG-OD2 3.43Å; S32-D34 VanDerWaalsContact OG-OD2 3.06Å; D34-V42 WeakPolarHBondContact O-CA 3.49Å; D34-S43 PolarHBondContact N-O 3.06Å; D34-S43 PolarHBondContact O-N 3.39Å
35V97.2Very high96.9Very high8 Ų857.6 Ų57.65%0.04831%0.313CS..EExtended strand (participates in β ladder)trans-88.5128.6-179.6170.40000110.4M11 K17 V20 E21 L37 Q41 V42M11-V35 HydrophobicContact CE-CG1 3.84Å; M11-V35 HydrophobicContact SD-CG1 3.83Å; M11-V35 HydrophobicContact SD-CG2 4.3Å; K17-V35 HydrophobicContact CB-CB 4.17Å; K17-V35 HydrophobicContact CB-CG1 3.87Å; K17-V35 HydrophobicContact CD-CB 4.12Å; K17-V35 HydrophobicContact CD-CG1 4.28Å; K17-V35 HydrophobicContact CG-CB 3.9Å; K17-V35 HydrophobicContact CG-CG1 4.11Å; K17-V35 PolarHBondContact NZ-O 3.05Å; V20-V35 HydrophobicContact CB-CG2 4.07Å; V20-V35 HydrophobicContact CG1-CG2 3.76Å; E21-V35 HydrophobicContact CG-CB 3.98Å; E21-V35 HydrophobicContact CG-CG2 3.54Å; E21-V35 PolarHBondContact OE1-N 3.16Å; V35-L37 HydrophobicContact CG1-CD2 3.93Å; V35-L37 HydrophobicContact CG1-CG 4.1Å; V35-Q41 WeakPolarHBondContact CA-O 3.48Å; V35-V42 HydrophobicContact CG2-CB 3.92Å; V35-V42 HydrophobicContact CG2-CG2 3.68Å
36N95.5Very high97Very high61 Ų6154.9 Ų54.933%0.32630%0.298SS..EExtended strand (participates in β ladder)trans-103.6100.1165-175.4-20.7000109.5E38 N39 G40 Q41N36-E38 VanDerWaalsContact C-N 3.3Å; N36-E38 PolarHBondContact O-N 3.03Å; N36-E38 WeakPolarHBondContact OD1-CB 3.48Å; N36-E38 PolarHBondContact OD1-N 3.26Å; N36-N39 HydrophobicContact CB-CB 4.42Å; N36-N39 PolarHBondContact ND2-ND2 2.96Å; N36-N39 PolarHBondContact O-N 3.11Å; N36-N39 PolarHBondContact OD1-N 2.88Å; N36-N39 VanDerWaalsContact OD1-N 3.17Å; N36-G40 PolarHBondContact O-N 3.27Å; N36-Q41 PolarHBondContact N-O 2.87Å; N36-Q41 PolarHBondContact O-N 3.36Å
37L93.9Very high97Very high63 Ų6350.2 Ų50.233%0.3327%0.273SS..THydrogen-bonded Turntrans-66-29.7178.9-71.9175.4000113M11 K17 V35 N39 G40M11-L37 HydrophobicContact CB-CD2 3.77Å; K17-L37 HydrophobicContact CB-CD1 3.95Å; K17-L37 HydrophobicContact CB-CD2 3.98Å; K17-L37 HydrophobicContact CB-CG 3.98Å; K17-L37 HydrophobicContact CD-CD1 4.41Å; K17-L37 HydrophobicContact CD-CG 4.44Å; V35-L37 HydrophobicContact CG1-CD2 3.93Å; V35-L37 HydrophobicContact CG1-CG 4.1Å; L37-N39 VanDerWaalsContact C-N 3.31Å; L37-N39 PolarHBondContact O-N 2.85Å; L37-G40 PolarHBondContact O-N 2.8Å
38E92.8Very high97Very high186 Ų18653.3 Ų53.387%0.86929%0.289SS*.THydrogen-bonded Turntrans-67.8-35.3179.7-65.7-177.898.400111.5N36N36-E38 VanDerWaalsContact C-N 3.3Å; N36-E38 PolarHBondContact O-N 3.03Å; N36-E38 WeakPolarHBondContact OD1-CB 3.48Å; N36-E38 PolarHBondContact OD1-N 3.26Å
39N94Very high96.9Very high101 Ų10152.4 Ų52.454%0.5429%0.292SS..THydrogen-bonded Turntrans-94-8.8179-68.4-4.3000113.6N36 L37 Q41N36-N39 HydrophobicContact CB-CB 4.42Å; N36-N39 PolarHBondContact ND2-ND2 2.96Å; N36-N39 PolarHBondContact O-N 3.11Å; N36-N39 PolarHBondContact OD1-N 2.88Å; N36-N39 VanDerWaalsContact OD1-N 3.17Å; L37-N39 VanDerWaalsContact C-N 3.31Å; L37-N39 PolarHBondContact O-N 2.85Å; N39-Q41 VanDerWaalsContact C-N 3.3Å; N39-Q41 HydrophobicContact CB-CB 4.14Å; N39-Q41 HydrophobicContact CB-CG 4.08Å; N39-Q41 PolarHBondContact O-N 3.06Å
40G95.1Very high96.9Very high25 Ų2557.5 Ų57.526%0.25831%0.312SS..THydrogen-bonded Turntrans60.940.9-170.600000112N7 V8 N36 L37N7-G40 WeakPolarHBondContact CA-O 3.5Å; V8-G40 PolarHBondContact N-O 3.21Å; N36-G40 PolarHBondContact O-N 3.27Å; L37-G40 PolarHBondContact O-N 2.8Å
41Q97.1Very high96.9Very high57 Ų5756.8 Ų56.827%0.26631%0.308SS..EExtended strand (participates in β ladder)trans-129.6151.2-173.1-76.3176.6-26.400111.7I5 L6 N7 V35 N36 N39I5-Q41 HydrophobicContact CG2-CB 4.14Å; I5-Q41 HydrophobicContact CG2-CG 4.06Å; L6-Q41 CarbonylContact O-C 3.56Å; L6-Q41 VanDerWaalsContact O-CA 3.3Å; L6-Q41 WeakPolarHBondContact O-CA 3.48Å; N7-Q41 WeakPolarHBondContact OD1-CG 3.31Å; N7-Q41 PolarHBondContact OD1-NE2 2.98Å; V35-Q41 WeakPolarHBondContact CA-O 3.48Å; N36-Q41 PolarHBondContact N-O 2.87Å; N36-Q41 PolarHBondContact O-N 3.36Å; N39-Q41 VanDerWaalsContact C-N 3.3Å; N39-Q41 HydrophobicContact CB-CB 4.14Å; N39-Q41 HydrophobicContact CB-CG 4.08Å; N39-Q41 PolarHBondContact O-N 3.06Å
42V97.6Very high96.9Very high0 Ų055 Ų550%030%0.302CS..EExtended strand (participates in β ladder)trans-123.3128165.364.50000109.6I5 L6 V8 V20 L24 A33 D34 V35 V44 I60I5-V42 WeakPolarHBondContact CA-O 3.41Å; L6-V42 HydrophobicContact CB-CG1 3.76Å; L6-V42 HydrophobicContact CD1-CG1 4.29Å; L6-V42 HydrophobicContact CG-CG1 4.4Å; L6-V42 PolarHBondContact N-O 2.9Å; L6-V42 PolarHBondContact O-N 3.31Å; V8-V42 HydrophobicContact CG2-CG1 3.84Å; V20-V42 HydrophobicContact CG1-CB 4.47Å; V20-V42 HydrophobicContact CG1-CG2 4.36Å; L24-V42 HydrophobicContact CD1-CB 4.48Å; L24-V42 HydrophobicContact CD1-CG1 4.07Å; L24-V42 HydrophobicContact CD1-CG2 3.68Å; A33-V42 HydrophobicContact CB-CG2 4.29Å; D34-V42 WeakPolarHBondContact O-CA 3.49Å; V35-V42 HydrophobicContact CG2-CB 3.92Å; V35-V42 HydrophobicContact CG2-CG2 3.68Å; V42-V44 HydrophobicContact CG1-CG2 4.18Å; V42-V44 HydrophobicContact CG2-CG2 4.02Å; V42-I60 HydrophobicContact CG1-CD1 4.14Å
43S97.9Very high96.8Very high30 Ų3055.9 Ų55.921%0.2131%0.306CS..EExtended strand (participates in β ladder)trans-95.6127.7170.5-162.10000109.3Q3 E4 A33 D34Q3-S43 PolarHBondContact NE2-OG 3.47Å; E4-S43 CarbonylContact O-C 3.55Å; E4-S43 WeakPolarHBondContact O-CA 3.29Å; A33-S43 WeakPolarHBondContact CA-O 3.41Å; D34-S43 PolarHBondContact N-O 3.06Å; D34-S43 PolarHBondContact O-N 3.39Å
44V98.4Very high96.8Very high0 Ų059 Ų590%033%0.328CS..EExtended strand (participates in β ladder)trans-123.3127.2-174.8-166.40000109.6Q3 E4 L6 L24 V30 S32 A33 V42 M56Q3-V44 VanDerWaalsContact CA-O 3.29Å; Q3-V44 WeakPolarHBondContact CA-O 3.32Å; E4-V44 PolarHBondContact N-O 3.17Å; E4-V44 PolarHBondContact O-N 2.91Å; L6-V44 HydrophobicContact CD1-CG2 4.44Å; L24-V44 HydrophobicContact CD1-CG2 3.88Å; V30-V44 HydrophobicContact CG1-CG1 3.79Å; V30-V44 HydrophobicContact CG2-CG1 4.27Å; S32-V44 CarbonylContact O-C 3.54Å; S32-V44 WeakPolarHBondContact O-CA 3.46Å; S32-V44 WeakPolarHBondContact O-CG1 3.29Å; A33-V44 HydrophobicContact CB-CG1 4.49Å; A33-V44 HydrophobicContact CB-CG2 4.44Å; V42-V44 HydrophobicContact CG1-CG2 4.18Å; V42-V44 HydrophobicContact CG2-CG2 4.02Å; V44-M56 HydrophobicContact CB-SD 4.19Å; V44-M56 HydrophobicContact CG1-SD 3.5Å; V44-M56 VanDerWaalsContact CG1-SD 3.5Å
45Q98.3Very high96.8Very high88 Ų8859 Ų5941%0.41132%0.324SS..EExtended strand (participates in β ladder)trans-102.1125.2169.8-71.6179.67800109.2S2 Q3 T31 S32S2-Q45 WeakPolarHBondContact O-CA 3.46Å; Q3-Q45 HydrophobicContact CG-CG 4.38Å; T31-Q45 PolarHBondContact N-O 3.07Å; T31-Q45 VanDerWaalsContact OG1-C 3.32Å; T31-Q45 WeakPolarHBondContact OG1-CB 3.38Å; T31-Q45 PolarHBondContact OG1-O 3.15Å; S32-Q45 PolarHBondContact N-O 3.47Å; S32-Q45 PolarHBondContact O-N 3.06Å; S32-Q45 PolarHBondContact OG-NE2 3.45Å
46Y98.5Very high96.8Very high17 Ų1758.6 Ų58.67%0.06732%0.322CS..EExtended strand (participates in β ladder)trans-148163.5-173.169.7-76.2000113.9M1 S2 E4 G29 D48 V51 V53 M56M1-Y46 CarbonylContact C-O 3.58Å; M1-Y46 WeakPolarHBondContact CA-O 3.41Å; S2-Y46 PolarHBondContact N-O 3.27Å; S2-Y46 PolarHBondContact O-N 3Å; E4-Y46 HydrophobicContact CB-CE1 3.95Å; E4-Y46 HydrophobicContact CG-CE1 3.68Å; G29-Y46 CarbonylContact O-C 3.45Å; G29-Y46 WeakPolarHBondContact O-CA 3.35Å; Y46-D48 HydrophobicContact CD2-CB 4.44Å; Y46-D48 HydrophobicContact CE2-CB 3.89Å; Y46-V51 HydrophobicContact CD2-CG1 3.64Å; Y46-V51 HydrophobicContact CG-CG1 4.11Å; Y46-V53 HydrophobicContact CE2-CG2 4.46Å; Y46-V53 VanDerWaalsContact OH-CG2 3.29Å; Y46-V53 WeakPolarHBondContact OH-CG2 3.44Å; Y46-M56 HydrophobicContact CD1-CE 3.66Å; Y46-M56 HydrophobicContact CD1-SD 4.18Å; Y46-M56 HydrophobicContact CD2-CE 4.01Å; Y46-M56 HydrophobicContact CE1-CE 3.7Å; Y46-M56 HydrophobicContact CE2-CE 4.01Å; Y46-M56 HydrophobicContact CG-CE 3.84Å; Y46-M56 HydrophobicContact CG-SD 4.08Å
47D98.2Very high97Very high39 Ų3958.9 Ų58.921%0.20932%0.32CS..  trans-92.1106.5169.7-172.4-13.3000109.4M1 G29 S49 K50 V51M1-D47 HydrophobicContact SD-CB 4.46Å; G29-D47 PolarHBondContact O-N 3.31Å; D47-S49 VanDerWaalsContact CG-OG 3.25Å; D47-S49 PolarHBondContact O-N 3.02Å; D47-S49 WeakPolarHBondContact OD1-CB 3.4Å; D47-S49 PolarHBondContact OD1-N 2.78Å; D47-S49 PolarHBondContact OD1-OG 3.05Å; D47-S49 PolarHBondContact OD2-OG 3.49Å; D47-K50 HydrophobicContact CB-CB 4.24Å; D47-K50 HydrophobicContact CB-CD 4.17Å; D47-K50 HydrophobicContact CB-CG 4.2Å; D47-K50 PolarHBondContact O-N 2.91Å; D47-V51 PolarHBondContact O-N 2.87Å
48D96.9Very high97.2Very high98 Ų9859.9 Ų59.952%0.52433%0.326SS..THydrogen-bonded Turntrans-66.3-12.3-179.857.4-27.7000113.7S2 Y46S2-D48 PolarHBondContact OG-OD2 3.2Å; Y46-D48 HydrophobicContact CD2-CB 4.44Å; Y46-D48 HydrophobicContact CE2-CB 3.89Å
49S97.2Very high97.4Very high100 Ų10051.8 Ų51.870%0.69929%0.291SS*.THydrogen-bonded Turntrans-82-14169.474.70000113.8D47D47-S49 VanDerWaalsContact CG-OG 3.25Å; D47-S49 PolarHBondContact O-N 3.02Å; D47-S49 WeakPolarHBondContact OD1-CB 3.4Å; D47-S49 PolarHBondContact OD1-N 2.78Å; D47-S49 PolarHBondContact OD1-OG 3.05Å; D47-S49 PolarHBondContact OD2-OG 3.49Å
50K97.7Very high97.6Very high116 Ų11647 Ų4750%0.50427%0.265SS..THydrogen-bonded Turntrans-112.8-36.3-175.5-67.8-173.7172.7-164.10114.1D28 D47D28-K50 IonicContact OD1-NZ 2.85Å; D47-K50 HydrophobicContact CB-CB 4.24Å; D47-K50 HydrophobicContact CB-CD 4.17Å; D47-K50 HydrophobicContact CB-CG 4.2Å; D47-K50 PolarHBondContact O-N 2.91Å
51V97.9Very high97.6Very high3 Ų350.3 Ų50.32%0.01827%0.274CS..  trans-135.9134.2-176.163.80000111I27 V30 Y46 D47 Q55 M56I27-V51 HydrophobicContact CG2-CB 4.32Å; I27-V51 HydrophobicContact CG2-CG2 3.63Å; V30-V51 HydrophobicContact CG2-CG1 4.26Å; Y46-V51 HydrophobicContact CD2-CG1 3.64Å; Y46-V51 HydrophobicContact CG-CG1 4.11Å; D47-V51 PolarHBondContact O-N 2.87Å; V51-Q55 HydrophobicContact CG2-CB 3.97Å; V51-M56 HydrophobicContact CG2-CG 4.03Å
52A97.1Very high97.6Very high44 Ų4454.2 Ų54.236%0.36430%0.297SS..  trans-88.7152.1173.300000111.3S54 Q55 M56A52-S54 PolarHBondContact O-N 3.2Å; A52-Q55 HydrophobicContact CB-CG 4.46Å; A52-Q55 WeakPolarHBondContact O-CB 3.43Å; A52-Q55 PolarHBondContact O-N 3.42Å; A52-M56 PolarHBondContact O-N 3.35Å
53V97.1Very high97.5Very high41 Ų4158.5 Ų58.525%0.24832%0.317CS..Hα-helixtrans-55.9-36.9175.7-179.70000112.1E4 L6 Y46 Q55 M56 K57E4-V53 HydrophobicContact CG-CG2 4.01Å; L6-V53 HydrophobicContact CD2-CG1 4.02Å; Y46-V53 HydrophobicContact CE2-CG2 4.46Å; Y46-V53 VanDerWaalsContact OH-CG2 3.29Å; Y46-V53 WeakPolarHBondContact OH-CG2 3.44Å; V53-Q55 VanDerWaalsContact C-N 3.32Å; V53-Q55 PolarHBondContact O-N 3.14Å; V53-M56 HydrophobicContact CB-CE 4.22Å; V53-M56 HydrophobicContact CG1-CE 4.47Å; V53-M56 HydrophobicContact CG2-CE 3.96Å; V53-M56 WeakPolarHBondContact O-CB 3.44Å; V53-M56 PolarHBondContact O-N 2.91Å; V53-M56 VanDerWaalsContact O-N 3.14Å; V53-K57 HydrophobicContact CG1-CG 4.47Å; V53-K57 WeakPolarHBondContact O-CG 3.45Å; V53-K57 PolarHBondContact O-N 3.1Å
54S97.2Very high97.4Very high70 Ų7060.1 Ų60.149%0.4934%0.338SS..Hα-helixtrans-58.7-41.5176.856.20000112.6A52 M56 K57 D58A52-S54 PolarHBondContact O-N 3.2Å; S54-M56 VanDerWaalsContact C-N 3.27Å; S54-M56 PolarHBondContact O-N 3.38Å; S54-K57 WeakPolarHBondContact O-CB 3.35Å; S54-K57 PolarHBondContact O-N 3.02Å; S54-K57 VanDerWaalsContact O-N 3.1Å; S54-D58 PolarHBondContact O-N 3.18Å
55Q97.5Very high97.3Very high92 Ų9261.7 Ų61.743%0.4334%0.344SS..Hα-helixtrans-64.6-34.5178.2-63.6174.7-94.400112V51 A52 V53 A59V51-Q55 HydrophobicContact CG2-CB 3.97Å; A52-Q55 HydrophobicContact CB-CG 4.46Å; A52-Q55 WeakPolarHBondContact O-CB 3.43Å; A52-Q55 PolarHBondContact O-N 3.42Å; V53-Q55 VanDerWaalsContact C-N 3.32Å; V53-Q55 PolarHBondContact O-N 3.14Å; Q55-A59 WeakPolarHBondContact O-CB 3.4Å; Q55-A59 PolarHBondContact O-N 2.82Å; Q55-A59 VanDerWaalsContact O-N 3.11Å
56M98Very high97.2Very high0 Ų062.5 Ų62.50%035%0.351CS..Hα-helixtrans-69-37.5174.4-63-172.3-70.500111.4L6 L24 I27 V30 V44 Y46 V51 A52 V53 S54 I60L6-M56 HydrophobicContact CD1-CB 4.41Å; L24-M56 HydrophobicContact CD2-CB 3.7Å; L24-M56 HydrophobicContact CD2-CG 4.16Å; L24-M56 WeakPolarHBondContact CD2-O 3.3Å; I27-M56 HydrophobicContact CD1-CG 4.28Å; V30-M56 HydrophobicContact CG2-CG 4.28Å; V30-M56 HydrophobicContact CG2-SD 3.9Å; V44-M56 HydrophobicContact CB-SD 4.19Å; V44-M56 HydrophobicContact CG1-SD 3.5Å; V44-M56 VanDerWaalsContact CG1-SD 3.5Å; Y46-M56 HydrophobicContact CD1-CE 3.66Å; Y46-M56 HydrophobicContact CD1-SD 4.18Å; Y46-M56 HydrophobicContact CD2-CE 4.01Å; Y46-M56 HydrophobicContact CE1-CE 3.7Å; Y46-M56 HydrophobicContact CE2-CE 4.01Å; Y46-M56 HydrophobicContact CG-CE 3.84Å; Y46-M56 HydrophobicContact CG-SD 4.08Å; V51-M56 HydrophobicContact CG2-CG 4.03Å; A52-M56 PolarHBondContact O-N 3.35Å; V53-M56 HydrophobicContact CB-CE 4.22Å; V53-M56 HydrophobicContact CG1-CE 4.47Å; V53-M56 HydrophobicContact CG2-CE 3.96Å; V53-M56 WeakPolarHBondContact O-CB 3.44Å; V53-M56 PolarHBondContact O-N 2.91Å; V53-M56 VanDerWaalsContact O-N 3.14Å; S54-M56 VanDerWaalsContact C-N 3.27Å; S54-M56 PolarHBondContact O-N 3.38Å; M56-I60 WeakPolarHBondContact O-CD1 3.46Å; M56-I60 VanDerWaalsContact O-CG1 3.31Å; M56-I60 WeakPolarHBondContact O-CG1 3.47Å; M56-I60 PolarHBondContact O-N 2.81Å
57K98Very high97Very high66 Ų6662.6 Ų62.629%0.28735%0.354SS..Hα-helixtrans-64.7-48.7173.8-62.7-165.4175.8-163.50111.6V53 S54 A59 I60 E61 V67V53-K57 HydrophobicContact CG1-CG 4.47Å; V53-K57 WeakPolarHBondContact O-CG 3.45Å; V53-K57 PolarHBondContact O-N 3.1Å; S54-K57 WeakPolarHBondContact O-CB 3.35Å; S54-K57 PolarHBondContact O-N 3.02Å; S54-K57 VanDerWaalsContact O-N 3.1Å; K57-A59 PolarHBondContact O-N 2.99Å; K57-I60 WeakPolarHBondContact O-CA 3.46Å; K57-I60 WeakPolarHBondContact O-CB 3.46Å; K57-I60 PolarHBondContact O-N 2.96Å; K57-E61 PolarHBondContact O-N 2.94Å; K57-V67 HydrophobicContact CB-CB 4.45Å; K57-V67 HydrophobicContact CB-CG2 4.28Å; K57-V67 HydrophobicContact CD-CB 4.24Å; K57-V67 HydrophobicContact CD-CG1 3.92Å; K57-V67 HydrophobicContact CG-CB 4.27Å; K57-V67 HydrophobicContact CG-CG1 3.96Å; K57-V67 HydrophobicContact CG-CG2 4.41Å
58D97.8Very high96.7Very high84 Ų8466.3 Ų66.345%0.44938%0.378SS..Hα-helixtrans-55.7-42.1178-60.8-20.1000111S54 I60 E61 D62S54-D58 PolarHBondContact O-N 3.18Å; D58-I60 VanDerWaalsContact C-N 3.3Å; D58-I60 PolarHBondContact O-N 3.36Å; D58-E61 PolarHBondContact O-N 2.79Å; D58-D62 WeakPolarHBondContact O-CB 3.38Å; D58-D62 PolarHBondContact O-N 2.8Å
59A97.6Very high96.7Very high16 Ų1664.8 Ų64.813%0.13237%0.37CS..Hα-helixtrans-65.1-30.5177.300000113.7I27 Q55 K57 Q63I27-A59 HydrophobicContact CD1-CB 3.6Å; I27-A59 HydrophobicContact CG1-CB 4.45Å; Q55-A59 WeakPolarHBondContact O-CB 3.4Å; Q55-A59 PolarHBondContact O-N 2.82Å; Q55-A59 VanDerWaalsContact O-N 3.11Å; K57-A59 PolarHBondContact O-N 2.99Å; A59-Q63 WeakPolarHBondContact O-CG 3.36Å
60I97.6Very high96.7Very high0 Ų062.9 Ų62.90%035%0.353CS..Hα-helixtrans-74.1-42.9174.5-65.2163.4000109.9L6 V8 V20 L24 V42 M56 K57 D58 D62 Q63 Y65 V67L6-I60 HydrophobicContact CD1-CD1 3.71Å; V8-I60 HydrophobicContact CG1-CG2 3.68Å; V8-I60 HydrophobicContact CG2-CD1 4.08Å; V8-I60 HydrophobicContact CG2-CG2 4.16Å; V20-I60 HydrophobicContact CG1-CG1 4.2Å; V20-I60 HydrophobicContact CG2-CG2 4.47Å; L24-I60 HydrophobicContact CD1-CD1 4.12Å; L24-I60 HydrophobicContact CD1-CG1 4.19Å; L24-I60 HydrophobicContact CD2-CD1 4.13Å; L24-I60 HydrophobicContact CD2-CG1 4.03Å; L24-I60 HydrophobicContact CG-CD1 4.48Å; L24-I60 HydrophobicContact CG-CG1 4.18Å; V42-I60 HydrophobicContact CG1-CD1 4.14Å; M56-I60 WeakPolarHBondContact O-CD1 3.46Å; M56-I60 VanDerWaalsContact O-CG1 3.31Å; M56-I60 WeakPolarHBondContact O-CG1 3.47Å; M56-I60 PolarHBondContact O-N 2.81Å; K57-I60 WeakPolarHBondContact O-CA 3.46Å; K57-I60 WeakPolarHBondContact O-CB 3.46Å; K57-I60 PolarHBondContact O-N 2.96Å; D58-I60 VanDerWaalsContact C-N 3.3Å; D58-I60 PolarHBondContact O-N 3.36Å; I60-D62 VanDerWaalsContact C-N 3.32Å; I60-D62 PolarHBondContact O-N 3.18Å; I60-Q63 WeakPolarHBondContact O-CB 3.5Å; I60-Q63 PolarHBondContact O-N 2.92Å; I60-Y65 PolarHBondContact O-N 3.04Å; I60-V67 HydrophobicContact CB-CG2 3.77Å; I60-V67 HydrophobicContact CD1-CG2 3.86Å; I60-V67 HydrophobicContact CG1-CG2 4.44Å; I60-V67 HydrophobicContact CG2-CG2 3.62Å
61E96.9Very high96.6Very high96 Ų9659.9 Ų59.945%0.44935%0.345SS..Hα-helixtrans-63-37.2176.6-69.2179.9-176.200112.2K57 D58 Q63 G64 Y65K57-E61 PolarHBondContact O-N 2.94Å; D58-E61 PolarHBondContact O-N 2.79Å; E61-Q63 PolarHBondContact O-N 2.94Å; E61-G64 WeakPolarHBondContact O-CA 3.33Å; E61-G64 PolarHBondContact O-N 2.84Å; E61-Y65 VanDerWaalsContact CA-O 3.25Å; E61-Y65 WeakPolarHBondContact CA-O 3.44Å
62D96.8Very high96.5Very high139 Ų13963.3 Ų63.374%0.74336%0.364SS*.THydrogen-bonded Turntrans-62.7-22.6172.9-85.5-8.5000113.1D58 I60 G64D58-D62 WeakPolarHBondContact O-CB 3.38Å; D58-D62 PolarHBondContact O-N 2.8Å; I60-D62 VanDerWaalsContact C-N 3.32Å; I60-D62 PolarHBondContact O-N 3.18Å; D62-G64 VanDerWaalsContact C-N 3.29Å
63Q95.4Very high96.5Very high90 Ų9064.5 Ų64.542%0.42136%0.364SS..THydrogen-bonded Turntrans-84.2-3170.6-59.9-53.2-69.900113.1A23 A59 I60 E61 Y65A23-Q63 HydrophobicContact CB-CG 3.58Å; A59-Q63 WeakPolarHBondContact O-CG 3.36Å; I60-Q63 WeakPolarHBondContact O-CB 3.5Å; I60-Q63 PolarHBondContact O-N 2.92Å; E61-Q63 PolarHBondContact O-N 2.94Å; Q63-Y65 HydrophobicContact CB-CD2 3.68Å; Q63-Y65 HydrophobicContact CB-CE2 3.74Å; Q63-Y65 WeakPolarHBondContact O-CE2 3.43Å
64G96Very high96.4Very high63 Ų6366.1 Ų66.165%0.64937%0.371SS*.THydrogen-bonded Turntrans87.426.8179.400000114.6E61 D62E61-G64 WeakPolarHBondContact O-CA 3.33Å; E61-G64 PolarHBondContact O-N 2.84Å; D62-G64 VanDerWaalsContact C-N 3.29Å
65Y96.2Very high96.4Very high33 Ų3365.8 Ų65.813%0.12936%0.363CS..  trans-120.6142.9178-54.4-72.5000111.7V8 E9 M11 C16 V20 I60 E61 Q63V8-Y65 HydrophobicContact CG1-CG 4.35Å; E9-Y65 WeakPolarHBondContact O-CB 3.2Å; M11-Y65 HydrophobicContact CG-CD1 3.83Å; M11-Y65 HydrophobicContact CG-CE1 3.95Å; M11-Y65 HydrophobicContact CG-CG 4.17Å; C16-Y65 VanDerWaalsContact CA-OH 3.29Å; C16-Y65 WeakPolarHBondContact CA-OH 3.36Å; C16-Y65 HydrophobicContact CB-CE1 4.02Å; C16-Y65 VanDerWaalsContact CB-OH 3.25Å; C16-Y65 WeakPolarHBondContact CB-OH 3.46Å; C16-Y65 PolarHBondContact SG-OH 3.49Å; V20-Y65 HydrophobicContact CG2-CD2 3.43Å; V20-Y65 VanDerWaalsContact CG2-CD2 3.43Å; V20-Y65 HydrophobicContact CG2-CE2 3.66Å; V20-Y65 HydrophobicContact CG2-CG 4.24Å; I60-Y65 PolarHBondContact O-N 3.04Å; E61-Y65 VanDerWaalsContact CA-O 3.25Å; E61-Y65 WeakPolarHBondContact CA-O 3.44Å; Q63-Y65 HydrophobicContact CB-CD2 3.68Å; Q63-Y65 HydrophobicContact CB-CE2 3.74Å; Q63-Y65 WeakPolarHBondContact O-CE2 3.43Å
66D94.9Very high96.3Very high105 Ų10563.8 Ų63.856%0.56136%0.358SS*.EExtended strand (participates in β ladder)trans-88.8141.3179.6-65.4-67.6000111.2V8 E9V8-D66 CarbonylContact C-O 3.6Å; V8-D66 VanDerWaalsContact CA-O 3.29Å; V8-D66 WeakPolarHBondContact CA-O 3.5Å; E9-D66 HydrophobicContact CB-CB 4.49Å; E9-D66 PolarHBondContact N-O 2.6Å
67V95.8Very high96.2Very high20 Ų2069.1 Ų69.112%0.12139%0.388CS..EExtended strand (participates in β ladder)trans-109.3123.7175.1-171.90000110.7L6 N7 V8 K57 I60L6-V67 HydrophobicContact CB-CG1 4.03Å; L6-V67 HydrophobicContact CD2-CG1 4.43Å; N7-V67 WeakPolarHBondContact O-CA 3.29Å; N7-V67 WeakPolarHBondContact O-CG1 3.29Å; V8-V67 HydrophobicContact CG2-CG2 4.37Å; K57-V67 HydrophobicContact CB-CB 4.45Å; K57-V67 HydrophobicContact CB-CG2 4.28Å; K57-V67 HydrophobicContact CD-CB 4.24Å; K57-V67 HydrophobicContact CD-CG1 3.92Å; K57-V67 HydrophobicContact CG-CB 4.27Å; K57-V67 HydrophobicContact CG-CG1 3.96Å; K57-V67 HydrophobicContact CG-CG2 4.41Å; I60-V67 HydrophobicContact CB-CG2 3.77Å; I60-V67 HydrophobicContact CD1-CG2 3.86Å; I60-V67 HydrophobicContact CG1-CG2 4.44Å; I60-V67 HydrophobicContact CG2-CG2 3.62Å
68V91.3Very high96Very high117 Ų11769.4 Ų69.471%0.70940%0.397SS*.  trans-1140-173.7-57.80000115N7 E9N7-V68 HydrophobicContact CB-CG2 3.54Å; N7-V68 WeakPolarHBondContact CB-O 3.35Å; N7-V68 PolarHBondContact ND2-O 3.35Å; N7-V68 PolarHBondContact O-N 2.99Å; E9-V68 HydrophobicContact CG-CG1 4.22Å; E9-V68 HydrophobicContact CG-CG2 4.29Å

Retrieved 68 of 68 residues in 220.8 ms (Link to these results)

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