A0A096NUS7_PAPAN Loading...

Microtubule associated protein 1 light chain 3 alpha

AlphaFold DB , UniProt , Accession A0A096NUS7, Species PAPAN (Papio anubis, Olive baboon), Gene MAP1LC3A, Length 125 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
1M42.9Very low45.8Very low170 Ų17090.5 Ų90.584%0.83749%0.485SS*.  01260-11283.1152.900110.8H61M1-H61 WeakPolarHBondContact CE-NE2 3.27Å
2K41.2Very low46.7Very low207 Ų20789.5 Ų89.590%0.947%0.473SS*.  trans-93.4109.9167.5-83.1-180175.1171.90109
3M47Very low47.2Very low24 Ų2491 Ų9112%0.11851%0.506CS..  trans-72.6135166.1-77.8157.3126.200109.3F56 V58 L67 I70M3-F56 HydrophobicContact CE-CD1 4.27Å; M3-V58 HydrophobicContact CE-CB 4.36Å; M3-V58 HydrophobicContact CE-CG1 4.24Å; M3-V58 HydrophobicContact CE-CG2 3.72Å; M3-L67 HydrophobicContact CE-CD1 4.06Å; M3-I70 HydrophobicContact CE-CD1 4.21Å; M3-I70 HydrophobicContact CE-CG2 4.17Å; M3-I70 HydrophobicContact SD-CD1 4.12Å; M3-I70 HydrophobicContact SD-CG2 3.59Å; M3-I70 VanDerWaalsContact SD-CG2 3.59Å
4K45.7Very low48Very low119 Ų11988.5 Ų88.552%0.51750%0.503SS..EExtended strand (participates in β ladder)trans-88.5146.6170.5-71.3-169.4176.3-1760108.3L57K4-L57 HydrophobicContact CB-CD1 4.31Å; K4-L57 PolarHBondContact O-N 2.8Å
5F46.8Very low49Very low52 Ų5285.6 Ų85.623%0.22848%0.483CS..EExtended strand (participates in β ladder)trans-115.3147.3-179.2-65.5-80.4000109.8K53 F56 R74F5-K53 HydrophobicContact CB-CD 3.69Å; F5-K53 HydrophobicContact CD1-CB 3.79Å; F5-K53 HydrophobicContact CD1-CD 3.16Å; F5-K53 HydrophobicContact CD1-CG 4.1Å; F5-K53 HydrophobicContact CD2-CD 3.94Å; F5-K53 HydrophobicContact CE1-CB 3.91Å; F5-K53 HydrophobicContact CE1-CD 3.67Å; F5-K53 HydrophobicContact CE1-CG 4.37Å; F5-K53 HydrophobicContact CE2-CD 4.39Å; F5-K53 HydrophobicContact CG-CD 3.3Å; F5-K53 HydrophobicContact CZ-CD 4.26Å; F5-F56 HydrophobicContact CD1-CD1 4.42Å; F5-F56 AromaticContact CE1-CD1 3.77Å; F5-F56 HydrophobicContact CE1-CD1 3.77Å; F5-F56 AromaticContact CE1-CE1 3.6Å; F5-F56 HydrophobicContact CE1-CE1 3.6Å; F5-F56 HydrophobicContact CE1-CZ 4.44Å; F5-F56 HydrophobicContact CZ-CE1 4.34Å; F5-R74 VanDerWaalsContact CZ-CZ 3.4Å
6F53Low50.4Low87 Ų8783.4 Ų83.438%0.38248%0.479SS..  trans-112.9140.7163.3-99.3-95.8000108.9I27 L57F6-I27 HydrophobicContact CE2-CG1 4.45Å; F6-L57 HydrophobicContact CD2-CD1 4.18Å; F6-L57 HydrophobicContact CE2-CD1 4.4Å
7S42.6Very low51.4Low120 Ų12083.6 Ų83.684%0.83948%0.484SS*.  trans-102.9107.7177.361.50000109.9
8S44.1Very low52.5Low36 Ų3682.3 Ų82.325%0.25249%0.485SS..  trans-141158166.7-10.20000108.4E15 E23 K55S8-E15 WeakPolarHBondContact CB-OE1 3.46Å; S8-E23 PolarHBondContact OG-OE1 2.99Å; S8-K55 PolarHBondContact OG-NZ 3.22Å
9P41.1Very low54Low85 Ų8582.9 Ų82.955%0.55249%0.486SS*.  trans-61.9146.8-174.46.6-2000112.3A14P9-A14 HydrophobicContact CB-CB 4.3Å
10C46.3Very low55.3Low77 Ų7779.9 Ų79.952%0.5247%0.466SS..SBendtrans-78.8131.2-163.6-157.70000113.4E40 T54C10-E40 PolarHBondContact SG-OE1 3.39Å; C10-T54 PolarHBondContact SG-OG1 3.05Å; C10-T54 VanDerWaalsContact SG-OG1 3.37Å
11G52.8Low56.7Low18 Ų1878.7 Ų78.719%0.18646%0.461CS..SBendtrans99.7146.9166.600000115.5A13 A14 E40G11-A13 PolarHBondContact O-N 3.38Å; G11-A14 WeakPolarHBondContact O-CB 3.48Å; G11-A14 PolarHBondContact O-N 3.07Å; G11-E40 WeakPolarHBondContact CA-OE1 3.1Å; G11-E40 PolarHBondContact N-OE1 3.11Å
12K56.9Low58.8Low79 Ų7976.5 Ų76.534%0.34345%0.447SS..THydrogen-bonded Turntrans-49.8-26.5175.8-79.6-168.3-179.5-177.60114.5D108 Y114K12-D108 VanDerWaalsContact CE-OD1 3.29Å; K12-D108 WeakPolarHBondContact CE-OD1 3.37Å; K12-D108 IonicContact NZ-OD1 2.84Å; K12-D108 PolarHBondContact NZ-OD1 2.99Å; K12-D108 IonicContact NZ-OD2 2.6Å; K12-D108 PolarHBondContact NZ-OD2 3.49Å; K12-Y114 HydrophobicContact CD-CE1 4.02Å; K12-Y114 HydrophobicContact CD-CE2 4.32Å; K12-Y114 VanDerWaalsContact CE-CD2 3.49Å; K12-Y114 VanDerWaalsContact CE-CE1 3.45Å; K12-Y114 HydrophobicContact CG-CD1 4.38Å; K12-Y114 HydrophobicContact CG-CE1 3.47Å; K12-Y114 VanDerWaalsContact CG-CE1 3.47Å; K12-Y114 HydrophobicContact CG-CE2 4.38Å; K12-Y114 VanDerWaalsContact CG-CZ 3.47Å; K12-Y114 VanDerWaalsContact CG-OH 3.24Å; K12-Y114 WeakPolarHBondContact CG-OH 3.32Å
13A53.5Low61Low109 Ų10968 Ų6890%0.90141%0.411SS*.THydrogen-bonded Turntrans-81.7-13-178.100000114G11G11-A13 PolarHBondContact O-N 3.38Å
14A58.4Low63.1Low56 Ų5667.3 Ų67.346%0.46341%0.407SS..THydrogen-bonded Turntrans-89.7-19.8-17600000113.6P9 G11P9-A14 HydrophobicContact CB-CB 4.3Å; G11-A14 WeakPolarHBondContact O-CB 3.48Å; G11-A14 PolarHBondContact O-N 3.07Å
15E63Low65.3Low45 Ų4567.6 Ų67.621%0.2141%0.411CS..SBendtrans-128.7137.3-174.9-69176.5140.700111.5S8 R20 K55S8-E15 WeakPolarHBondContact CB-OE1 3.46Å; E15-R20 HydrophobicContact CB-CG 3.84Å; E15-R20 PolarHBondContact O-NE 3.47Å; E15-K55 IonicContact OE1-NZ 3.65Å; E15-K55 IonicContact OE2-NZ 2.8Å; E15-K55 PolarHBondContact OE2-NZ 2.83Å
16A70.9Confident67.4Low50 Ų5070.8 Ų70.841%0.41343%0.426SS..  trans-62.1143.6178.300000110.7A18 D19 R20A16-A18 VanDerWaalsContact C-N 3.27Å; A16-A18 PolarHBondContact O-N 3.48Å; A16-D19 PolarHBondContact O-N 3.34Å; A16-R20 PolarHBondContact O-N 3.39Å
17P67.3Low69.3Low87 Ų8767 Ų6757%0.56541%0.41SS*.Hα-helixtrans-54.5-40.5-177.2-23.731000113.9D19 R20 C21P17-D19 VanDerWaalsContact C-N 3.31Å; P17-D19 PolarHBondContact O-N 3.25Å; P17-R20 PolarHBondContact O-N 3.04Å; P17-C21 PolarHBondContact O-N 2.94Å; P17-C21 VanDerWaalsContact O-N 3.14Å; P17-C21 PolarHBondContact O-SG 3.36Å
18A71.1Confident71.6Confident61 Ų6165.3 Ų65.350%0.50439%0.385SS..Hα-helixtrans-65.7-31.4-179.500000113.4A16 K22A16-A18 VanDerWaalsContact C-N 3.27Å; A16-A18 PolarHBondContact O-N 3.48Å; A18-K22 WeakPolarHBondContact O-CG 3.47Å; A18-K22 PolarHBondContact O-N 2.8Å
19D80.4Confident74Confident94 Ų9469.3 Ų69.350%0.50340%0.404SS..Hα-helixtrans-76.4-36.1179.1-64.7-33.8000110.9A16 P17 K22 E23A16-D19 PolarHBondContact O-N 3.34Å; P17-D19 VanDerWaalsContact C-N 3.31Å; P17-D19 PolarHBondContact O-N 3.25Å; D19-K22 PolarHBondContact O-N 2.92Å; D19-E23 WeakPolarHBondContact O-CB 3.27Å; D19-E23 PolarHBondContact O-N 3.04Å
20R80.6Confident76.5Confident21 Ų2170.9 Ų70.98%0.07940%0.404CS..Hα-helixtrans-63.8-43.8173.8-68.8-175-77.2128.42.4112.4E15 A16 P17 K22 E23 V24 D110 F112E15-R20 HydrophobicContact CB-CG 3.84Å; E15-R20 PolarHBondContact O-NE 3.47Å; A16-R20 PolarHBondContact O-N 3.39Å; P17-R20 PolarHBondContact O-N 3.04Å; R20-K22 VanDerWaalsContact C-N 3.32Å; R20-K22 PolarHBondContact O-N 3.22Å; R20-E23 WeakPolarHBondContact O-CB 3.41Å; R20-E23 PolarHBondContact O-N 2.91Å; R20-V24 WeakPolarHBondContact O-CG2 3.44Å; R20-V24 PolarHBondContact O-N 3.23Å; R20-D110 HydrophobicContact CB-CB 3.97Å; R20-D110 IonicContact CZ-OD2 3.59Å; R20-D110 IonicContact NE-OD2 3.95Å; R20-D110 VanDerWaalsContact NH1-CB 3.31Å; R20-D110 IonicContact NH1-OD2 2.59Å; R20-D110 PolarHBondContact NH1-OD2 3.07Å; R20-F112 HydrophobicContact CB-CE2 4.4Å
21C85Confident78.8Confident55 Ų5568.8 Ų68.837%0.37239%0.386SS..Hα-helixtrans-60.1-43176.6-61.70000112P17 V24 Q25P17-C21 PolarHBondContact O-N 2.94Å; P17-C21 VanDerWaalsContact O-N 3.14Å; P17-C21 PolarHBondContact O-SG 3.36Å; C21-V24 PolarHBondContact O-N 3.03Å; C21-Q25 WeakPolarHBondContact O-CB 3.2Å; C21-Q25 PolarHBondContact O-N 3.46Å
22K87.1Confident80.8Confident125 Ų12572.4 Ų72.454%0.54341%0.406SS..Hα-helixtrans-65.1-42.3176.5-71174.1-174.4172.20111.5A18 D19 R20 Q25 Q26A18-K22 WeakPolarHBondContact O-CG 3.47Å; A18-K22 PolarHBondContact O-N 2.8Å; D19-K22 PolarHBondContact O-N 2.92Å; R20-K22 VanDerWaalsContact C-N 3.32Å; R20-K22 PolarHBondContact O-N 3.22Å; K22-Q25 PolarHBondContact O-N 2.85Å; K22-Q26 VanDerWaalsContact O-CG 3.32Å; K22-Q26 WeakPolarHBondContact O-CG 3.41Å; K22-Q26 PolarHBondContact O-N 2.8Å
23E88.3Confident82.6Confident29 Ų2971.7 Ų71.714%0.13641%0.412CS..Hα-helixtrans-58-50.6176-175.5-174.8-165.200110.6S8 D19 R20 Q25 Q26 I27 K55 F112S8-E23 PolarHBondContact OG-OE1 2.99Å; D19-E23 WeakPolarHBondContact O-CB 3.27Å; D19-E23 PolarHBondContact O-N 3.04Å; R20-E23 WeakPolarHBondContact O-CB 3.41Å; R20-E23 PolarHBondContact O-N 2.91Å; E23-Q25 PolarHBondContact O-N 3.34Å; E23-Q26 PolarHBondContact O-N 3.45Å; E23-I27 HydrophobicContact CG-CD1 3.78Å; E23-I27 WeakPolarHBondContact O-CB 3.48Å; E23-I27 VanDerWaalsContact O-CG1 3.27Å; E23-I27 WeakPolarHBondContact O-CG1 3.36Å; E23-I27 PolarHBondContact O-N 3.48Å; E23-K55 IonicContact OE1-NZ 3.23Å; E23-K55 PolarHBondContact OE1-NZ 2.88Å; E23-K55 IonicContact OE2-NZ 2.91Å; E23-K55 PolarHBondContact OE2-NZ 3.46Å; E23-F112 HydrophobicContact CG-CZ 4.38Å
24V90.7Very high84.6Confident8 Ų868.2 Ų68.25%0.04838%0.376CS..Hα-helixtrans-61.1-45.3178.9170.70000111.4R20 C21 Q26 I27 R28 P36 D110 G111 F112R20-V24 WeakPolarHBondContact O-CG2 3.44Å; R20-V24 PolarHBondContact O-N 3.23Å; C21-V24 PolarHBondContact O-N 3.03Å; V24-Q26 PolarHBondContact O-N 2.99Å; V24-I27 PolarHBondContact O-N 2.92Å; V24-R28 HydrophobicContact CG1-CG 3.96Å; V24-R28 WeakPolarHBondContact O-CB 3.39Å; V24-R28 WeakPolarHBondContact O-CG 3.15Å; V24-R28 PolarHBondContact O-N 2.95Å; V24-P36 HydrophobicContact CG1-CG 4.11Å; V24-D110 WeakPolarHBondContact CG2-O 3.46Å; V24-G111 WeakPolarHBondContact CG1-O 3.27Å; V24-F112 HydrophobicContact CG2-CD1 4.2Å; V24-F112 HydrophobicContact CG2-CD2 3.32Å; V24-F112 HydrophobicContact CG2-CE1 4.12Å; V24-F112 HydrophobicContact CG2-CE2 3.24Å; V24-F112 HydrophobicContact CG2-CG 3.82Å; V24-F112 HydrophobicContact CG2-CZ 3.66Å
25Q90.5Very high86.4Confident125 Ų12565.8 Ų65.858%0.58436%0.355SS*.Hα-helixtrans-58.2-49.4179-172.8175.3100111C21 K22 E23 I27 R28 D29C21-Q25 WeakPolarHBondContact O-CB 3.2Å; C21-Q25 PolarHBondContact O-N 3.46Å; K22-Q25 PolarHBondContact O-N 2.85Å; E23-Q25 PolarHBondContact O-N 3.34Å; Q25-I27 VanDerWaalsContact C-N 3.34Å; Q25-I27 PolarHBondContact O-N 3.22Å; Q25-R28 PolarHBondContact O-N 3.33Å; Q25-D29 VanDerWaalsContact O-CG 3.24Å; Q25-D29 PolarHBondContact O-N 3.27Å
26Q92.1Very high88Confident120 Ų12063.6 Ų63.656%0.56135%0.345SS*.Hα-helixtrans-60.6-42177.1-72.4178.6-14.700112.6K22 E23 V24 D29 Q30K22-Q26 VanDerWaalsContact O-CG 3.32Å; K22-Q26 WeakPolarHBondContact O-CG 3.41Å; K22-Q26 PolarHBondContact O-N 2.8Å; E23-Q26 PolarHBondContact O-N 3.45Å; V24-Q26 PolarHBondContact O-N 2.99Å; Q26-D29 PolarHBondContact O-N 3.38Å; Q26-Q30 WeakPolarHBondContact O-CB 3.22Å; Q26-Q30 VanDerWaalsContact O-CG 3.27Å; Q26-Q30 WeakPolarHBondContact O-CG 3.37Å; Q26-Q30 PolarHBondContact O-N 3.4Å
27I92.1Very high89.2Confident6 Ų661.2 Ų61.23%0.03133%0.325CS..Hα-helixtrans-62.9-44.1177.4-75.6171.1000110.7F6 E23 V24 Q25 Q30 H31 P36 L57F6-I27 HydrophobicContact CE2-CG1 4.45Å; E23-I27 HydrophobicContact CG-CD1 3.78Å; E23-I27 WeakPolarHBondContact O-CB 3.48Å; E23-I27 VanDerWaalsContact O-CG1 3.27Å; E23-I27 WeakPolarHBondContact O-CG1 3.36Å; E23-I27 PolarHBondContact O-N 3.48Å; V24-I27 PolarHBondContact O-N 2.92Å; Q25-I27 VanDerWaalsContact C-N 3.34Å; Q25-I27 PolarHBondContact O-N 3.22Å; I27-Q30 PolarHBondContact O-N 2.92Å; I27-H31 WeakPolarHBondContact O-CA 3.46Å; I27-H31 WeakPolarHBondContact O-CB 3.27Å; I27-H31 PolarHBondContact O-N 3.14Å; I27-P36 HydrophobicContact CG2-CB 4.4Å; I27-L57 HydrophobicContact CG2-CD1 4.5Å; I27-L57 HydrophobicContact CG2-CD2 3.38Å
28R92.4Very high90.5Very high86 Ų8657.4 Ų57.433%0.32530%0.3SS..Hα-helixtrans-67-38.1-179.4-71.7-77.6-66.4163.1-0111.4V24 Q25 H31 P32 K34V24-R28 HydrophobicContact CG1-CG 3.96Å; V24-R28 WeakPolarHBondContact O-CB 3.39Å; V24-R28 WeakPolarHBondContact O-CG 3.15Å; V24-R28 PolarHBondContact O-N 2.95Å; Q25-R28 PolarHBondContact O-N 3.33Å; R28-H31 CarbonylContact O-C 3.56Å; R28-H31 PolarHBondContact O-N 3.2Å; R28-P32 PolarHBondContact NH1-O 3.28Å; R28-P32 VanDerWaalsContact O-CA 3.22Å; R28-P32 WeakPolarHBondContact O-CA 3.48Å; R28-P32 VanDerWaalsContact O-N 3.15Å; R28-K34 PolarHBondContact NH1-O 3.36Å; R28-K34 VanDerWaalsContact NH1-O 3.11Å
29D93.1Very high91.6Very high120 Ų12054.5 Ų54.564%0.64228%0.276SS*.Hα-helixtrans-64.8-41.5174.3-67.1-19.4000111.6Q25 Q26Q25-D29 VanDerWaalsContact O-CG 3.24Å; Q25-D29 PolarHBondContact O-N 3.27Å; Q26-D29 PolarHBondContact O-N 3.38Å
30Q94.9Very high92.3Very high117 Ų11752.5 Ų52.555%0.54726%0.264SS..Hα-helixtrans-76-29.8178.7-69.4174.138.200113.3Q26 I27Q26-Q30 WeakPolarHBondContact O-CB 3.22Å; Q26-Q30 VanDerWaalsContact O-CG 3.27Å; Q26-Q30 WeakPolarHBondContact O-CG 3.37Å; Q26-Q30 PolarHBondContact O-N 3.4Å; I27-Q30 PolarHBondContact O-N 2.92Å
31H94.4Very high92.9Very high34 Ų3456.2 Ų56.216%0.15728%0.278CS..  trans-137.367.9-171.9-60.5-37.1000111.3I27 R28 S33 K34 L57I27-H31 WeakPolarHBondContact O-CA 3.46Å; I27-H31 WeakPolarHBondContact O-CB 3.27Å; I27-H31 PolarHBondContact O-N 3.14Å; R28-H31 CarbonylContact O-C 3.56Å; R28-H31 PolarHBondContact O-N 3.2Å; H31-S33 VanDerWaalsContact C-N 3.3Å; H31-S33 PolarHBondContact O-N 3.15Å; H31-K34 HydrophobicContact CB-CB 4.02Å; H31-K34 HydrophobicContact CB-CD 4.1Å; H31-K34 HydrophobicContact CB-CG 4.1Å; H31-K34 PolarHBondContact O-N 3.46Å; H31-L57 VanDerWaalsContact CD2-CD1 3.48Å; H31-L57 WeakPolarHBondContact CD2-CD1 3.33Å
32P94.3Very high93.3Very high93 Ų9357.1 Ų57.160%0.60427%0.274SS*.THydrogen-bonded Turntrans-63.8-31.6-17123.2-34.3000114R28 K34R28-P32 PolarHBondContact NH1-O 3.28Å; R28-P32 VanDerWaalsContact O-CA 3.22Å; R28-P32 WeakPolarHBondContact O-CA 3.48Å; R28-P32 VanDerWaalsContact O-N 3.15Å; P32-K34 PolarHBondContact O-N 3Å
33S95.1Very high93.4Very high65 Ų6561 Ų6146%0.45529%0.291SS..THydrogen-bonded Turntrans-86.816.8176.458.30000113.9H31 P59 D60H31-S33 VanDerWaalsContact C-N 3.3Å; H31-S33 PolarHBondContact O-N 3.15Å; S33-P59 WeakPolarHBondContact O-CA 3.49Å; S33-D60 WeakPolarHBondContact CA-OD2 3.24Å; S33-D60 WeakPolarHBondContact CB-OD2 3.18Å; S33-D60 PolarHBondContact O-N 2.6Å
34K95.5Very high93.3Very high35 Ų3561.5 Ų61.515%0.15230%0.304CS..EExtended strand (participates in β ladder)trans-123.6146.5177.4-57.2-166.7-174.41790111.8R28 H31 P32 L57 V58R28-K34 PolarHBondContact NH1-O 3.36Å; R28-K34 VanDerWaalsContact NH1-O 3.11Å; H31-K34 HydrophobicContact CB-CB 4.02Å; H31-K34 HydrophobicContact CB-CD 4.1Å; H31-K34 HydrophobicContact CB-CG 4.1Å; H31-K34 PolarHBondContact O-N 3.46Å; P32-K34 PolarHBondContact O-N 3Å; K34-L57 HydrophobicContact CB-CB 4.26Å; K34-L57 HydrophobicContact CD-CB 3.77Å; K34-L57 HydrophobicContact CD-CD1 4.46Å; K34-V58 CarbonylContact C-O 3.36Å; K34-V58 VanDerWaalsContact CA-O 3.29Å; K34-V58 WeakPolarHBondContact CA-O 3.41Å
35I96.3Very high93.3Very high5 Ų561.2 Ų61.23%0.02630%0.302CS..EExtended strand (participates in β ladder)trans-104.8123.3178.4-54.1-51.3000108.3V37 V58 I99 Y103I35-V37 HydrophobicContact CB-CG2 4.36Å; I35-V37 HydrophobicContact CG2-CG2 3.85Å; I35-V37 PolarHBondContact O-N 3.25Å; I35-V58 PolarHBondContact N-O 3.03Å; I35-V58 PolarHBondContact O-N 2.81Å; I35-I99 HydrophobicContact CB-CG2 4.48Å; I35-I99 HydrophobicContact CG1-CG2 4.03Å; I35-I99 HydrophobicContact CG2-CG1 4.44Å; I35-Y103 HydrophobicContact CD1-CD1 4.16Å; I35-Y103 HydrophobicContact CD1-CG 4.18Å; I35-Y103 HydrophobicContact CG2-CD2 3.31Å; I35-Y103 HydrophobicContact CG2-CE2 3.98Å; I35-Y103 HydrophobicContact CG2-CG 3.64Å
36P96.1Very high93.3Very high0 Ų063.6 Ų63.60%031%0.31CS..EExtended strand (participates in β ladder)trans-77.9115.8173.532-32000109.8V24 I27 L57 Y103 F112 L113V24-P36 HydrophobicContact CG1-CG 4.11Å; I27-P36 HydrophobicContact CG2-CB 4.4Å; P36-L57 HydrophobicContact CB-CD2 4.25Å; P36-Y103 HydrophobicContact CG-CE2 4.2Å; P36-F112 HydrophobicContact CB-CD1 3.66Å; P36-F112 HydrophobicContact CB-CE1 3.72Å; P36-F112 HydrophobicContact CG-CD1 4.4Å; P36-L113 PolarHBondContact O-N 3.13Å
37V95.3Very high93.2Very high0 Ų064.3 Ų64.30%031%0.314CS..EExtended strand (participates in β ladder)trans-124131.8-175.7-169.70000109.7I35 I39 F56 V58 I99 L113 M115I35-V37 HydrophobicContact CB-CG2 4.36Å; I35-V37 HydrophobicContact CG2-CG2 3.85Å; I35-V37 PolarHBondContact O-N 3.25Å; V37-I39 HydrophobicContact CG1-CD1 4.09Å; V37-I39 HydrophobicContact CG1-CG1 3.68Å; V37-F56 PolarHBondContact N-O 3.02Å; V37-F56 PolarHBondContact O-N 3.34Å; V37-V58 HydrophobicContact CB-CG2 4.14Å; V37-V58 HydrophobicContact CG2-CB 4.3Å; V37-V58 HydrophobicContact CG2-CG2 3.6Å; V37-I99 HydrophobicContact CG2-CD1 3.86Å; V37-L113 CarbonylContact C-O 3.51Å; V37-L113 WeakPolarHBondContact CA-O 3.49Å; V37-L113 HydrophobicContact CG1-CB 4.4Å; V37-L113 HydrophobicContact CG1-CG 4.48Å; V37-L113 WeakPolarHBondContact CG1-O 3.42Å; V37-L113 HydrophobicContact CG2-CB 4.34Å; V37-L113 HydrophobicContact CG2-CD2 4.36Å; V37-M115 HydrophobicContact CG1-CE 4.07Å; V37-M115 HydrophobicContact CG1-CG 4.1Å; V37-M115 HydrophobicContact CG1-SD 4.03Å
38I94.9Very high93.2Very high7 Ų764.1 Ų64.14%0.03631%0.313CS..EExtended strand (participates in β ladder)trans-103.9120.2171.4-63.3-177.5000108.2E40 T54 K55 F112 L113 Y114 M115I38-E40 HydrophobicContact CG2-CG 3.92Å; I38-T54 CarbonylContact C-O 3.54Å; I38-T54 WeakPolarHBondContact CA-O 3.37Å; I38-K55 HydrophobicContact CD1-CG 4.49Å; I38-K55 HydrophobicContact CG1-CG 4.24Å; I38-F112 HydrophobicContact CD1-CB 4.03Å; I38-F112 HydrophobicContact CD1-CD1 3.76Å; I38-F112 HydrophobicContact CD1-CD2 4.04Å; I38-F112 HydrophobicContact CD1-CE1 4.19Å; I38-F112 HydrophobicContact CD1-CE2 4.43Å; I38-F112 HydrophobicContact CD1-CG 3.69Å; I38-F112 HydrophobicContact CG1-CB 4.23Å; I38-F112 HydrophobicContact CG1-CD1 3.67Å; I38-F112 HydrophobicContact CG1-CE1 4.21Å; I38-F112 HydrophobicContact CG1-CG 4.02Å; I38-L113 PolarHBondContact N-O 3.5Å; I38-Y114 HydrophobicContact CB-CD1 3.94Å; I38-Y114 HydrophobicContact CB-CE1 3.91Å; I38-Y114 HydrophobicContact CD1-CE1 3.63Å; I38-Y114 HydrophobicContact CG1-CE1 4.27Å; I38-Y114 HydrophobicContact CG2-CD1 4.04Å; I38-Y114 HydrophobicContact CG2-CE1 3.99Å; I38-M115 PolarHBondContact O-N 3.37Å
39I95.1Very high93.4Very high0 Ų062.7 Ų62.70%032%0.315CS..EExtended strand (participates in β ladder)trans-121.5111.7-178.3-51.8177.2000108.5V37 L51 T54 F56 L67 I71 L85 M115 Y117V37-I39 HydrophobicContact CG1-CD1 4.09Å; V37-I39 HydrophobicContact CG1-CG1 3.68Å; I39-L51 HydrophobicContact CG2-CD1 4.11Å; I39-T54 PolarHBondContact N-O 2.95Å; I39-T54 WeakPolarHBondContact O-CA 3.32Å; I39-T54 WeakPolarHBondContact O-CB 3.46Å; I39-T54 WeakPolarHBondContact O-CG2 3.46Å; I39-F56 HydrophobicContact CB-CD2 4.08Å; I39-F56 HydrophobicContact CB-CE2 3.84Å; I39-F56 HydrophobicContact CD1-CD2 3.84Å; I39-F56 HydrophobicContact CD1-CE2 4.1Å; I39-F56 HydrophobicContact CD1-CG 4.39Å; I39-F56 HydrophobicContact CG1-CD2 3.9Å; I39-F56 HydrophobicContact CG1-CE2 4.15Å; I39-L67 HydrophobicContact CD1-CD1 4.27Å; I39-L67 HydrophobicContact CD1-CD2 4.46Å; I39-I71 HydrophobicContact CD1-CD1 3.6Å; I39-I71 HydrophobicContact CD1-CG1 4.07Å; I39-L85 HydrophobicContact CG2-CD1 3.83Å; I39-M115 WeakPolarHBondContact CA-O 3.39Å; I39-M115 HydrophobicContact CG1-CB 4.25Å; I39-Y117 HydrophobicContact CG2-CD1 3.96Å
40E94.5Very high93.4Very high52 Ų5261.4 Ų61.424%0.24331%0.311CS..EExtended strand (participates in β ladder)trans-119.5159.6-176.7-66.5-174.214400111.9C10 G11 I38 T54 M115 V116 Y117C10-E40 PolarHBondContact SG-OE1 3.39Å; G11-E40 WeakPolarHBondContact CA-OE1 3.1Å; G11-E40 PolarHBondContact N-OE1 3.11Å; I38-E40 HydrophobicContact CG2-CG 3.92Å; E40-T54 HydrophobicContact CG-CG2 4.13Å; E40-M115 PolarHBondContact N-O 2.8Å; E40-V116 CarbonylContact O-C 3.55Å; E40-V116 WeakPolarHBondContact O-CA 3.38Å; E40-Y117 WeakPolarHBondContact O-CD1 3.46Å; E40-Y117 WeakPolarHBondContact O-CE1 3.11Å; E40-Y117 PolarHBondContact O-N 2.8Å
41R94.2Very high93.3Very high98 Ų9856.3 Ų56.337%0.3729%0.287SS..EExtended strand (participates in β ladder)trans-72.2134.2172.3-163.5168.971.3172.8-0.6108.8E45 L48 Y117R41-E45 HydrophobicContact CG-CB 3.82Å; R41-E45 HydrophobicContact CG-CG 3.72Å; R41-E45 PolarHBondContact NE-O 2.52Å; R41-L48 PolarHBondContact NH1-O 3.19Å; R41-Y117 HydrophobicContact CB-CE1 3.99Å; R41-Y117 HydrophobicContact CB-CE2 4.02Å; R41-Y117 WeakPolarHBondContact CB-OH 3.43Å; R41-Y117 HydrophobicContact CG-CD2 4.38Å; R41-Y117 HydrophobicContact CG-CE2 3.68Å; R41-Y117 VanDerWaalsContact N-CE1 3.35Å
42Y92.3Very high93.1Very high75 Ų7562.2 Ų62.229%0.29432%0.32SS..  trans-57.2140.7173.8-175.5-105.5000110.7G44 E45 V116 Y117 A118 T122 F123Y42-G44 VanDerWaalsContact CD1-N 3.33Å; Y42-G44 PolarHBondContact O-N 2.88Å; Y42-G44 VanDerWaalsContact O-N 3.15Å; Y42-E45 VanDerWaalsContact O-CB 3.31Å; Y42-E45 WeakPolarHBondContact O-CB 3.48Å; Y42-E45 PolarHBondContact O-N 2.95Å; Y42-V116 HydrophobicContact CD2-CB 4.46Å; Y42-V116 HydrophobicContact CD2-CG2 4.06Å; Y42-Y117 WeakPolarHBondContact CB-O 3.43Å; Y42-Y117 PolarHBondContact N-O 3.15Å; Y42-A118 HydrophobicContact CD1-CB 4.5Å; Y42-A118 HydrophobicContact CG-CB 4.36Å; Y42-T122 HydrophobicContact CD1-CG2 3.83Å; Y42-T122 HydrophobicContact CE1-CG2 4.23Å; Y42-F123 HydrophobicContact CD2-CZ 4.27Å; Y42-F123 HydrophobicContact CE2-CZ 4.29Å; Y42-F123 HydrophobicContact CG-CZ 4.38Å
43K88.4Confident92.9Very high206 Ų20662.6 Ų62.690%0.89631%0.312SS*.THydrogen-bonded Turntrans-59.6-31.9-172.8-70.8-174.2179.1179.10113.6
44G86.8Confident92.8Very high40 Ų4060.6 Ų60.641%0.41230%0.297SS..THydrogen-bonded Turntrans-84.8-9.4177.500000115.1Y42Y42-G44 VanDerWaalsContact CD1-N 3.33Å; Y42-G44 PolarHBondContact O-N 2.88Å; Y42-G44 VanDerWaalsContact O-N 3.15Å
45E91.2Very high92.7Very high2 Ų259.6 Ų59.61%0.00929%0.293CS..  trans-77126.1-175.2174.254.3-123.800111.7R41 Y42 Q47 L48 A118 S119 T122R41-E45 HydrophobicContact CG-CB 3.82Å; R41-E45 HydrophobicContact CG-CG 3.72Å; R41-E45 PolarHBondContact NE-O 2.52Å; Y42-E45 VanDerWaalsContact O-CB 3.31Å; Y42-E45 WeakPolarHBondContact O-CB 3.48Å; Y42-E45 PolarHBondContact O-N 2.95Å; E45-Q47 VanDerWaalsContact OE1-CA 3.32Å; E45-Q47 WeakPolarHBondContact OE1-CA 3.46Å; E45-Q47 WeakPolarHBondContact OE1-CB 3.4Å; E45-Q47 PolarHBondContact OE1-N 3.32Å; E45-L48 HydrophobicContact CG-CB 3.93Å; E45-L48 HydrophobicContact CG-CD1 4.37Å; E45-L48 HydrophobicContact CG-CG 4.19Å; E45-L48 PolarHBondContact OE1-N 2.92Å; E45-A118 HydrophobicContact CB-CB 4.09Å; E45-A118 HydrophobicContact CG-CB 4.33Å; E45-A118 WeakPolarHBondContact OE2-CA 3.29Å; E45-A118 WeakPolarHBondContact OE2-CB 3.41Å; E45-S119 WeakPolarHBondContact OE2-CB 3.49Å; E45-S119 PolarHBondContact OE2-N 3.13Å; E45-S119 PolarHBondContact OE2-OG 2.59Å; E45-T122 HydrophobicContact CB-CG2 4.33Å; E45-T122 VanDerWaalsContact OE2-CB 3.27Å; E45-T122 WeakPolarHBondContact OE2-CB 3.44Å; E45-T122 PolarHBondContact OE2-OG1 2.79Å
46K89.6Confident92.6Very high175 Ų17559.6 Ų59.676%0.76129%0.293SS*.  trans-125.6-16.2-175.5-65.7-178.3-177.4178.80114.7
47Q90.3Very high92.6Very high134 Ų13459.9 Ų59.963%0.62629%0.294SS*.SBendtrans-90.4-37.8-176.2-55.5-57.9-32.500112E45E45-Q47 VanDerWaalsContact OE1-CA 3.32Å; E45-Q47 WeakPolarHBondContact OE1-CA 3.46Å; E45-Q47 WeakPolarHBondContact OE1-CB 3.4Å; E45-Q47 PolarHBondContact OE1-N 3.32Å
48L93.4Very high92.7Very high2 Ų259.9 Ų59.91%0.0129%0.294CS..SBendtrans-79.1142.4-177.9-59.3-176.8000111.9R41 E45 L77 Q81 F83 Y117 S119R41-L48 PolarHBondContact NH1-O 3.19Å; E45-L48 HydrophobicContact CG-CB 3.93Å; E45-L48 HydrophobicContact CG-CD1 4.37Å; E45-L48 HydrophobicContact CG-CG 4.19Å; E45-L48 PolarHBondContact OE1-N 2.92Å; L48-L77 HydrophobicContact CD2-CD1 4.23Å; L48-L77 HydrophobicContact CD2-CD2 3.9Å; L48-Q81 HydrophobicContact CD2-CG 4.42Å; L48-F83 HydrophobicContact CD1-CB 3.66Å; L48-Y117 HydrophobicContact CB-CD2 4.36Å; L48-Y117 HydrophobicContact CB-CE2 4.11Å; L48-Y117 HydrophobicContact CD1-CD2 3.83Å; L48-Y117 HydrophobicContact CD1-CE2 4.41Å; L48-S119 VanDerWaalsContact CD1-N 3.34Å
49P94.8Very high92.8Very high57 Ų5760.6 Ų60.637%0.3730%0.299SS..PPolyproline II helixtrans-64.4161.7175.326-30.3000111.2L75 L77 Y117P49-L75 HydrophobicContact CG-CB 4.16Å; P49-L75 HydrophobicContact CG-CD2 4.01Å; P49-L75 WeakPolarHBondContact CG-O 3.32Å; P49-L75 VanDerWaalsContact O-CD2 3.25Å; P49-L75 WeakPolarHBondContact O-CD2 3.31Å; P49-L77 HydrophobicContact CG-CD2 4.13Å; P49-Y117 WeakPolarHBondContact O-CE2 3.39Å; P49-Y117 PolarHBondContact O-OH 3.46Å
50V93.1Very high92.8Very high92 Ų9263.2 Ų63.256%0.55831%0.313SS*.PPolyproline II helixtrans-87.7137.8176-177.20000109.2Y117V50-Y117 WeakPolarHBondContact CA-OH 3.26Å
51L93.3Very high92.7Very high11 Ų1166 Ų666%0.05833%0.326CS..PPolyproline II helixtrans-69.8135.3171-70.3170.4000110.5I39 K53 F56 R74 L75 Y117I39-L51 HydrophobicContact CG2-CD1 4.11Å; L51-K53 WeakPolarHBondContact CB-O 3.36Å; L51-K53 PolarHBondContact O-N 2.76Å; L51-K53 VanDerWaalsContact O-N 3.15Å; L51-F56 HydrophobicContact CD1-CE2 4.28Å; L51-F56 HydrophobicContact CD1-CZ 4.1Å; L51-R74 HydrophobicContact CD2-CB 3.62Å; L51-L75 HydrophobicContact CD2-CD2 3.66Å; L51-L75 HydrophobicContact CD2-CG 3.85Å; L51-L75 HydrophobicContact CG-CD2 3.79Å; L51-L75 HydrophobicContact CG-CG 4.38Å; L51-Y117 HydrophobicContact CD1-CD1 4.22Å; L51-Y117 HydrophobicContact CD1-CE1 3.64Å; L51-Y117 HydrophobicContact CG-CE1 3.96Å; L51-Y117 PolarHBondContact N-OH 3.16Å
52D90.1Very high92.7Very high157 Ų15761.5 Ų61.584%0.8431%0.31SS*.SBendtrans-61.1-24.4174.5-53.3-41.5000113.1
53K90.8Very high92.8Very high101 Ų10159.8 Ų59.844%0.43931%0.305SS..  trans-140.5139.2-178.3-62-173.6178.2-173.60110F5 L51 F56F5-K53 HydrophobicContact CB-CD 3.69Å; F5-K53 HydrophobicContact CD1-CB 3.79Å; F5-K53 HydrophobicContact CD1-CD 3.16Å; F5-K53 HydrophobicContact CD1-CG 4.1Å; F5-K53 HydrophobicContact CD2-CD 3.94Å; F5-K53 HydrophobicContact CE1-CB 3.91Å; F5-K53 HydrophobicContact CE1-CD 3.67Å; F5-K53 HydrophobicContact CE1-CG 4.37Å; F5-K53 HydrophobicContact CE2-CD 4.39Å; F5-K53 HydrophobicContact CG-CD 3.3Å; F5-K53 HydrophobicContact CZ-CD 4.26Å; L51-K53 WeakPolarHBondContact CB-O 3.36Å; L51-K53 PolarHBondContact O-N 2.76Å; L51-K53 VanDerWaalsContact O-N 3.15Å; K53-F56 VanDerWaalsContact O-CE2 3.26Å; K53-F56 WeakPolarHBondContact O-CE2 3.19Å; K53-F56 WeakPolarHBondContact O-CZ 3.29Å
54T93.6Very high93Very high23 Ų2350.3 Ų50.314%0.14126%0.264CS..  trans-113.1-22.8-176.854.60000113.1C10 I38 I39 E40 F56C10-T54 PolarHBondContact SG-OG1 3.05Å; C10-T54 VanDerWaalsContact SG-OG1 3.37Å; I38-T54 CarbonylContact C-O 3.54Å; I38-T54 WeakPolarHBondContact CA-O 3.37Å; I39-T54 PolarHBondContact N-O 2.95Å; I39-T54 WeakPolarHBondContact O-CA 3.32Å; I39-T54 WeakPolarHBondContact O-CB 3.46Å; I39-T54 WeakPolarHBondContact O-CG2 3.46Å; E40-T54 HydrophobicContact CG-CG2 4.13Å; T54-F56 WeakPolarHBondContact O-CD2 3.36Å; T54-F56 WeakPolarHBondContact O-CE2 3.35Å
55K93.1Very high93.3Very high14 Ų1450.1 Ų50.16%0.06126%0.257CS..EExtended strand (participates in β ladder)trans-91.2123.5173.8-60.7-169.2176.2-171.50111.2S8 E15 E23 I38S8-K55 PolarHBondContact OG-NZ 3.22Å; E15-K55 IonicContact OE1-NZ 3.65Å; E15-K55 IonicContact OE2-NZ 2.8Å; E15-K55 PolarHBondContact OE2-NZ 2.83Å; E23-K55 IonicContact OE1-NZ 3.23Å; E23-K55 PolarHBondContact OE1-NZ 2.88Å; E23-K55 IonicContact OE2-NZ 2.91Å; E23-K55 PolarHBondContact OE2-NZ 3.46Å; I38-K55 HydrophobicContact CD1-CG 4.49Å; I38-K55 HydrophobicContact CG1-CG 4.24Å
56F94.6Very high93.4Very high6 Ų653.9 Ų53.93%0.02627%0.274CS..EExtended strand (participates in β ladder)trans-126.8145.5-177.1-62.6-94.2000111.8M3 F5 V37 I39 L51 K53 T54 V58 I71M3-F56 HydrophobicContact CE-CD1 4.27Å; F5-F56 HydrophobicContact CD1-CD1 4.42Å; F5-F56 AromaticContact CE1-CD1 3.77Å; F5-F56 HydrophobicContact CE1-CD1 3.77Å; F5-F56 AromaticContact CE1-CE1 3.6Å; F5-F56 HydrophobicContact CE1-CE1 3.6Å; F5-F56 HydrophobicContact CE1-CZ 4.44Å; F5-F56 HydrophobicContact CZ-CE1 4.34Å; V37-F56 PolarHBondContact N-O 3.02Å; V37-F56 PolarHBondContact O-N 3.34Å; I39-F56 HydrophobicContact CB-CD2 4.08Å; I39-F56 HydrophobicContact CB-CE2 3.84Å; I39-F56 HydrophobicContact CD1-CD2 3.84Å; I39-F56 HydrophobicContact CD1-CE2 4.1Å; I39-F56 HydrophobicContact CD1-CG 4.39Å; I39-F56 HydrophobicContact CG1-CD2 3.9Å; I39-F56 HydrophobicContact CG1-CE2 4.15Å; L51-F56 HydrophobicContact CD1-CE2 4.28Å; L51-F56 HydrophobicContact CD1-CZ 4.1Å; K53-F56 VanDerWaalsContact O-CE2 3.26Å; K53-F56 WeakPolarHBondContact O-CE2 3.19Å; K53-F56 WeakPolarHBondContact O-CZ 3.29Å; T54-F56 WeakPolarHBondContact O-CD2 3.36Å; T54-F56 WeakPolarHBondContact O-CE2 3.35Å; F56-V58 HydrophobicContact CB-CG2 4.26Å; F56-I71 HydrophobicContact CE1-CD1 4.38Å; F56-I71 HydrophobicContact CZ-CD1 4.24Å
57L95.7Very high93.7Very high5 Ų545.5 Ų45.53%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-108.1104.7165.2-62.4177.7000109.6K4 F6 I27 H31 K34 P36K4-L57 HydrophobicContact CB-CD1 4.31Å; K4-L57 PolarHBondContact O-N 2.8Å; F6-L57 HydrophobicContact CD2-CD1 4.18Å; F6-L57 HydrophobicContact CE2-CD1 4.4Å; I27-L57 HydrophobicContact CG2-CD1 4.5Å; I27-L57 HydrophobicContact CG2-CD2 3.38Å; H31-L57 VanDerWaalsContact CD2-CD1 3.48Å; H31-L57 WeakPolarHBondContact CD2-CD1 3.33Å; K34-L57 HydrophobicContact CB-CB 4.26Å; K34-L57 HydrophobicContact CD-CB 3.77Å; K34-L57 HydrophobicContact CD-CD1 4.46Å; P36-L57 HydrophobicContact CB-CD2 4.25Å
58V96.1Very high93.8Very high0 Ų041.2 Ų41.20%022%0.221CC..EExtended strand (participates in β ladder)trans-97.6130.1-176.7-166.90000109.3M3 K34 I35 V37 F56 V62 L67 I99M3-V58 HydrophobicContact CE-CB 4.36Å; M3-V58 HydrophobicContact CE-CG1 4.24Å; M3-V58 HydrophobicContact CE-CG2 3.72Å; K34-V58 CarbonylContact C-O 3.36Å; K34-V58 VanDerWaalsContact CA-O 3.29Å; K34-V58 WeakPolarHBondContact CA-O 3.41Å; I35-V58 PolarHBondContact N-O 3.03Å; I35-V58 PolarHBondContact O-N 2.81Å; V37-V58 HydrophobicContact CB-CG2 4.14Å; V37-V58 HydrophobicContact CG2-CB 4.3Å; V37-V58 HydrophobicContact CG2-CG2 3.6Å; F56-V58 HydrophobicContact CB-CG2 4.26Å; V58-V62 HydrophobicContact CG1-CB 3.82Å; V58-V62 HydrophobicContact CG1-CG1 3.88Å; V58-V62 HydrophobicContact CG1-CG2 4.28Å; V58-L67 HydrophobicContact CG2-CD1 4.29Å; V58-I99 HydrophobicContact CB-CD1 4.24Å; V58-I99 HydrophobicContact CB-CG2 4.44Å; V58-I99 HydrophobicContact CG1-CD1 4.13Å; V58-I99 HydrophobicContact CG1-CG2 4.04Å; V58-I99 HydrophobicContact CG2-CD1 4.24Å
59P97.1Very high93.8Very high22 Ų2247 Ų4714%0.14325%0.246CC..EExtended strand (participates in β ladder)trans-59.1140171.7-18.529.7000111.6S33 H61 V62 I99S33-P59 WeakPolarHBondContact O-CA 3.49Å; P59-H61 VanDerWaalsContact C-N 3.32Å; P59-H61 WeakPolarHBondContact CB-CE1 3.3Å; P59-H61 PolarHBondContact O-N 2.88Å; P59-V62 HydrophobicContact CB-CG2 4Å; P59-V62 HydrophobicContact CG-CG2 4.05Å; P59-V62 WeakPolarHBondContact O-CB 3.25Å; P59-V62 PolarHBondContact O-N 3.09Å; P59-V62 VanDerWaalsContact O-N 3.09Å; P59-I99 WeakPolarHBondContact O-CG2 3.07Å
60D95.3Very high93.8Very high56 Ų5645.5 Ų45.530%0.29923%0.234SC..THydrogen-bonded Turntrans-52.2-38.8-177.449.516.6000115.9S33 V62 A100S33-D60 WeakPolarHBondContact CA-OD2 3.24Å; S33-D60 WeakPolarHBondContact CB-OD2 3.18Å; S33-D60 PolarHBondContact O-N 2.6Å; D60-V62 VanDerWaalsContact C-N 3.3Å; D60-V62 PolarHBondContact O-N 3.41Å; D60-A100 HydrophobicContact CB-CB 4.1Å; D60-A100 PolarHBondContact O-N 2.84Å
61H92.9Very high93.9Very high111 Ų11141.1 Ų41.151%0.51421%0.208SC..THydrogen-bonded Turntrans-78.4-9.1-179.160.9-84000114.3M1 P59 N63M1-H61 WeakPolarHBondContact CE-NE2 3.27Å; P59-H61 VanDerWaalsContact C-N 3.32Å; P59-H61 WeakPolarHBondContact CB-CE1 3.3Å; P59-H61 PolarHBondContact O-N 2.88Å; H61-N63 PolarHBondContact O-N 3.49Å
62V95.3Very high93.9Very high3 Ų343.7 Ų43.72%0.01822%0.217CC..  trans-68.5127.1177170.70000108.6V58 P59 D60 E66 L67 I99V58-V62 HydrophobicContact CG1-CB 3.82Å; V58-V62 HydrophobicContact CG1-CG1 3.88Å; V58-V62 HydrophobicContact CG1-CG2 4.28Å; P59-V62 HydrophobicContact CB-CG2 4Å; P59-V62 HydrophobicContact CG-CG2 4.05Å; P59-V62 WeakPolarHBondContact O-CB 3.25Å; P59-V62 PolarHBondContact O-N 3.09Å; P59-V62 VanDerWaalsContact O-N 3.09Å; D60-V62 VanDerWaalsContact C-N 3.3Å; D60-V62 PolarHBondContact O-N 3.41Å; V62-E66 HydrophobicContact CG1-CB 3.81Å; V62-L67 HydrophobicContact CG1-CB 4.41Å; V62-I99 WeakPolarHBondContact O-CB 3.43Å; V62-I99 VanDerWaalsContact O-CG2 3.29Å; V62-I99 WeakPolarHBondContact O-CG2 3.47Å; V62-I99 PolarHBondContact O-N 3.22Å
63N94.4Very high94.1Very high38 Ų3844.1 Ų44.120%0.20321%0.207CC..BIsolated β-bridgetrans-89.2169.3175.165.643.6000112.3H61 S65 E66 L67 T97H61-N63 PolarHBondContact O-N 3.49Å; N63-S65 VanDerWaalsContact C-N 3.29Å; N63-S65 PolarHBondContact O-N 3.48Å; N63-S65 WeakPolarHBondContact OD1-CB 3.29Å; N63-S65 PolarHBondContact OD1-N 3.22Å; N63-S65 VanDerWaalsContact OD1-N 3.12Å; N63-S65 PolarHBondContact OD1-OG 3.1Å; N63-E66 PolarHBondContact O-N 3.38Å; N63-E66 WeakPolarHBondContact OD1-CG 3.42Å; N63-E66 PolarHBondContact OD1-N 2.9Å; N63-L67 PolarHBondContact O-N 3.45Å; N63-T97 WeakPolarHBondContact CA-O 3.49Å; N63-T97 WeakPolarHBondContact CB-O 3.42Å
64M91.9Very high94.3Very high7 Ų744.8 Ų44.83%0.03421%0.206CC..Hα-helixtrans-58.6-37.1-179.8-73.9-57.4-67.300113.7E66 L67 V68 L85 V87 V93 T97 I102 M115M64-E66 VanDerWaalsContact C-N 3.32Å; M64-E66 PolarHBondContact O-N 2.88Å; M64-L67 PolarHBondContact O-N 3.27Å; M64-L67 HydrophobicContact SD-CD2 4.28Å; M64-V68 WeakPolarHBondContact O-CB 3.47Å; M64-V68 VanDerWaalsContact O-CG2 3.3Å; M64-V68 WeakPolarHBondContact O-CG2 3.39Å; M64-V68 PolarHBondContact O-N 3.43Å; M64-L85 HydrophobicContact CE-CD2 3.98Å; M64-L85 HydrophobicContact CE-CG 4.43Å; M64-V87 HydrophobicContact CE-CG2 4.5Å; M64-V93 HydrophobicContact CG-CB 4.46Å; M64-V93 HydrophobicContact CG-CG1 4.46Å; M64-T97 PolarHBondContact N-O 3.04Å; M64-T97 VanDerWaalsContact N-O 3.11Å; M64-I102 HydrophobicContact CG-CD1 3.25Å; M64-I102 HydrophobicContact SD-CD1 3.36Å; M64-I102 WeakPolarHBondContact SD-CD1 3.39Å; M64-M115 HydrophobicContact CE-CE 4.42Å; M64-M115 HydrophobicContact CE-SD 4.4Å; M64-M115 HydrophobicContact SD-CE 4.15Å
65S92.1Very high94.4Very high36 Ų3644 Ų4425%0.25220%0.202SC..Hα-helixtrans-62.5-38.9178.283.50000112.6N63 K69 V95N63-S65 VanDerWaalsContact C-N 3.29Å; N63-S65 PolarHBondContact O-N 3.48Å; N63-S65 WeakPolarHBondContact OD1-CB 3.29Å; N63-S65 PolarHBondContact OD1-N 3.22Å; N63-S65 VanDerWaalsContact OD1-N 3.12Å; N63-S65 PolarHBondContact OD1-OG 3.1Å; S65-K69 VanDerWaalsContact O-CG 3.31Å; S65-K69 WeakPolarHBondContact O-CG 3.1Å; S65-K69 PolarHBondContact O-N 2.99Å; S65-K69 VanDerWaalsContact O-N 3.14Å; S65-V95 WeakPolarHBondContact CB-O 3.35Å; S65-V95 PolarHBondContact N-O 2.9Å
66E94.9Very high94.4Very high81 Ų8151.4 Ų51.438%0.37924%0.236SC..Hα-helixtrans-71.7-40.9177.2-72.4-18016000111.2V62 N63 M64 K69 I70V62-E66 HydrophobicContact CG1-CB 3.81Å; N63-E66 PolarHBondContact O-N 3.38Å; N63-E66 WeakPolarHBondContact OD1-CG 3.42Å; N63-E66 PolarHBondContact OD1-N 2.9Å; M64-E66 VanDerWaalsContact C-N 3.32Å; M64-E66 PolarHBondContact O-N 2.88Å; E66-K69 WeakPolarHBondContact O-CB 3.4Å; E66-K69 PolarHBondContact O-N 3.09Å; E66-I70 VanDerWaalsContact O-CG1 3.3Å; E66-I70 WeakPolarHBondContact O-CG1 3.21Å; E66-I70 PolarHBondContact O-N 2.92Å
67L94.4Very high94.3Very high0 Ų052 Ų520%024%0.239CC..Hα-helixtrans-60.8-46.6174.8-176.560.1000111.2M3 I39 V58 V62 N63 M64 K69 I70 I71 L85 I99 M115M3-L67 HydrophobicContact CE-CD1 4.06Å; I39-L67 HydrophobicContact CD1-CD1 4.27Å; I39-L67 HydrophobicContact CD1-CD2 4.46Å; V58-L67 HydrophobicContact CG2-CD1 4.29Å; V62-L67 HydrophobicContact CG1-CB 4.41Å; N63-L67 PolarHBondContact O-N 3.45Å; M64-L67 PolarHBondContact O-N 3.27Å; M64-L67 HydrophobicContact SD-CD2 4.28Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 3.04Å; L67-I70 WeakPolarHBondContact O-CA 3.35Å; L67-I70 WeakPolarHBondContact O-CB 3.31Å; L67-I70 PolarHBondContact O-N 3.43Å; L67-I71 HydrophobicContact CD1-CD1 4.39Å; L67-I71 HydrophobicContact CD1-CG1 4.18Å; L67-I71 HydrophobicContact CG-CG1 4.37Å; L67-I71 WeakPolarHBondContact O-CG1 3.42Å; L67-I71 PolarHBondContact O-N 2.99Å; L67-L85 HydrophobicContact CD2-CD2 3.85Å; L67-L85 HydrophobicContact CG-CD2 3.97Å; L67-I99 HydrophobicContact CD2-CD1 3.62Å; L67-M115 HydrophobicContact CD2-CE 4.09Å; L67-M115 HydrophobicContact CD2-SD 3.84Å
68V93.1Very high94.1Very high43 Ų4356.5 Ų56.526%0.26126%0.263SS..Hα-helixtrans-56.4-44.3175.1167.40000111.1M64 I70 I71 R72 F83 L85M64-V68 WeakPolarHBondContact O-CB 3.47Å; M64-V68 VanDerWaalsContact O-CG2 3.3Å; M64-V68 WeakPolarHBondContact O-CG2 3.39Å; M64-V68 PolarHBondContact O-N 3.43Å; V68-I70 VanDerWaalsContact C-N 3.31Å; V68-I70 PolarHBondContact O-N 3.25Å; V68-I71 PolarHBondContact O-N 3.15Å; V68-R72 VanDerWaalsContact O-CB 3.32Å; V68-R72 WeakPolarHBondContact O-CB 3.11Å; V68-R72 PolarHBondContact O-N 2.97Å; V68-F83 HydrophobicContact CG1-CE1 4.09Å; V68-F83 HydrophobicContact CG1-CZ 3.92Å; V68-L85 HydrophobicContact CG2-CB 4.25Å; V68-L85 HydrophobicContact CG2-CD2 4.28Å
69K93Very high93.7Very high123 Ų12362 Ų6254%0.53530%0.3SS..Hα-helixtrans-62.2-37.6175.5-71.9168.8-173.7170.70112.3S65 E66 L67 R73S65-K69 VanDerWaalsContact O-CG 3.31Å; S65-K69 WeakPolarHBondContact O-CG 3.1Å; S65-K69 PolarHBondContact O-N 2.99Å; S65-K69 VanDerWaalsContact O-N 3.14Å; E66-K69 WeakPolarHBondContact O-CB 3.4Å; E66-K69 PolarHBondContact O-N 3.09Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 3.04Å; K69-R73 WeakPolarHBondContact O-CG 3.29Å; K69-R73 PolarHBondContact O-N 2.89Å
70I94.7Very high93.2Very high26 Ų2667.4 Ų67.413%0.13333%0.332CS..Hα-helixtrans-66.4-49.7177-68.7162000110.7M3 E66 L67 V68 R72 R73 R74M3-I70 HydrophobicContact CE-CD1 4.21Å; M3-I70 HydrophobicContact CE-CG2 4.17Å; M3-I70 HydrophobicContact SD-CD1 4.12Å; M3-I70 HydrophobicContact SD-CG2 3.59Å; M3-I70 VanDerWaalsContact SD-CG2 3.59Å; E66-I70 VanDerWaalsContact O-CG1 3.3Å; E66-I70 WeakPolarHBondContact O-CG1 3.21Å; E66-I70 PolarHBondContact O-N 2.92Å; L67-I70 WeakPolarHBondContact O-CA 3.35Å; L67-I70 WeakPolarHBondContact O-CB 3.31Å; L67-I70 PolarHBondContact O-N 3.43Å; V68-I70 VanDerWaalsContact C-N 3.31Å; V68-I70 PolarHBondContact O-N 3.25Å; I70-R72 VanDerWaalsContact C-N 3.33Å; I70-R72 PolarHBondContact O-N 3.28Å; I70-R73 PolarHBondContact O-N 3.38Å; I70-R74 HydrophobicContact CG2-CG 4.49Å; I70-R74 WeakPolarHBondContact O-CG 3.18Å; I70-R74 PolarHBondContact O-N 2.82Å
71I95.1Very high92.9Very high0 Ų067.7 Ų67.70%033%0.332CS..Hα-helixtrans-64.2-40.2-179-60.4-53.8000110.8I39 F56 L67 V68 R73 R74 L75 F83I39-I71 HydrophobicContact CD1-CD1 3.6Å; I39-I71 HydrophobicContact CD1-CG1 4.07Å; F56-I71 HydrophobicContact CE1-CD1 4.38Å; F56-I71 HydrophobicContact CZ-CD1 4.24Å; L67-I71 HydrophobicContact CD1-CD1 4.39Å; L67-I71 HydrophobicContact CD1-CG1 4.18Å; L67-I71 HydrophobicContact CG-CG1 4.37Å; L67-I71 WeakPolarHBondContact O-CG1 3.42Å; L67-I71 PolarHBondContact O-N 2.99Å; V68-I71 PolarHBondContact O-N 3.15Å; I71-R73 VanDerWaalsContact C-N 3.33Å; I71-R73 PolarHBondContact O-N 3.14Å; I71-R74 WeakPolarHBondContact O-CB 3.26Å; I71-R74 PolarHBondContact O-N 3.17Å; I71-R74 VanDerWaalsContact O-N 3.1Å; I71-L75 HydrophobicContact CG2-CD1 3.82Å; I71-L75 HydrophobicContact CG2-CG 4.23Å; I71-L75 WeakPolarHBondContact O-CB 3.37Å; I71-L75 WeakPolarHBondContact O-CG 3.44Å; I71-L75 PolarHBondContact O-N 3.05Å; I71-F83 HydrophobicContact CB-CE2 4.42Å; I71-F83 HydrophobicContact CB-CZ 4.24Å; I71-F83 HydrophobicContact CG2-CE2 3.94Å; I71-F83 HydrophobicContact CG2-CZ 4.14Å
72R94.4Very high92.6Very high66 Ų6664.3 Ų64.325%0.24932%0.323CS..Hα-helixtrans-53.1-48.7172.3-173.1174.6-81.9-121.72.6112.6V68 I70 R74 L75 Q76 L77 N78 P79 Q81 F83V68-R72 VanDerWaalsContact O-CB 3.32Å; V68-R72 WeakPolarHBondContact O-CB 3.11Å; V68-R72 PolarHBondContact O-N 2.97Å; I70-R72 VanDerWaalsContact C-N 3.33Å; I70-R72 PolarHBondContact O-N 3.28Å; R72-R74 VanDerWaalsContact C-N 3.33Å; R72-R74 PolarHBondContact O-N 3.38Å; R72-L75 PolarHBondContact O-N 2.9Å; R72-Q76 PolarHBondContact O-N 3.47Å; R72-Q76 VanDerWaalsContact O-N 3.09Å; R72-L77 HydrophobicContact CG-CB 4.08Å; R72-L77 PolarHBondContact O-N 3.39Å; R72-N78 PolarHBondContact NH1-O 2.76Å; R72-N78 VanDerWaalsContact NH1-O 3.12Å; R72-P79 VanDerWaalsContact NH1-C 3.27Å; R72-P79 PolarHBondContact NH1-O 3.18Å; R72-Q81 PolarHBondContact NH1-O 2.91Å; R72-Q81 PolarHBondContact NH2-O 3.24Å; R72-Q81 VanDerWaalsContact NH2-O 3.13Å; R72-F83 HydrophobicContact CB-CE1 3.82Å; R72-F83 HydrophobicContact CB-CZ 4.3Å; R72-F83 HydrophobicContact CG-CE1 4.28Å
73R94.1Very high92.5Very high166 Ų16664.9 Ų64.963%0.62633%0.325SS*.Hα-helixtrans-65.2-36.7179-73.7-173.3-63.5-108.6-1112.1K69 I70 I71 Q76K69-R73 WeakPolarHBondContact O-CG 3.29Å; K69-R73 PolarHBondContact O-N 2.89Å; I70-R73 PolarHBondContact O-N 3.38Å; I71-R73 VanDerWaalsContact C-N 3.33Å; I71-R73 PolarHBondContact O-N 3.14Å; R73-Q76 PolarHBondContact O-N 3.39Å
74R94.8Very high92.2Very high114 Ų11466 Ų6643%0.4333%0.328SS..Hα-helixtrans-68.2-39.4178-71.9-74.8-179.1166.2-6.2112.4F5 L51 I70 I71 R72 Q76F5-R74 VanDerWaalsContact CZ-CZ 3.4Å; L51-R74 HydrophobicContact CD2-CB 3.62Å; I70-R74 HydrophobicContact CG2-CG 4.49Å; I70-R74 WeakPolarHBondContact O-CG 3.18Å; I70-R74 PolarHBondContact O-N 2.82Å; I71-R74 WeakPolarHBondContact O-CB 3.26Å; I71-R74 PolarHBondContact O-N 3.17Å; I71-R74 VanDerWaalsContact O-N 3.1Å; R72-R74 VanDerWaalsContact C-N 3.33Å; R72-R74 PolarHBondContact O-N 3.38Å; R74-Q76 PolarHBondContact O-N 3.16Å
75L94.8Very high92.2Very high8 Ų866.4 Ų66.44%0.04233%0.331CS..THydrogen-bonded Turntrans-75.4-6.5173.6-69.7174000113P49 L51 I71 R72 L77 Y117P49-L75 HydrophobicContact CG-CB 4.16Å; P49-L75 HydrophobicContact CG-CD2 4.01Å; P49-L75 WeakPolarHBondContact CG-O 3.32Å; P49-L75 VanDerWaalsContact O-CD2 3.25Å; P49-L75 WeakPolarHBondContact O-CD2 3.31Å; L51-L75 HydrophobicContact CD2-CD2 3.66Å; L51-L75 HydrophobicContact CD2-CG 3.85Å; L51-L75 HydrophobicContact CG-CD2 3.79Å; L51-L75 HydrophobicContact CG-CG 4.38Å; I71-L75 HydrophobicContact CG2-CD1 3.82Å; I71-L75 HydrophobicContact CG2-CG 4.23Å; I71-L75 WeakPolarHBondContact O-CB 3.37Å; I71-L75 WeakPolarHBondContact O-CG 3.44Å; I71-L75 PolarHBondContact O-N 3.05Å; R72-L75 PolarHBondContact O-N 2.9Å; L75-L77 HydrophobicContact CB-CD1 4.1Å; L75-L77 HydrophobicContact CB-CD2 3.8Å; L75-L77 HydrophobicContact CB-CG 3.57Å; L75-L77 HydrophobicContact CD1-CD1 3.95Å; L75-L77 HydrophobicContact CD1-CG 4.35Å; L75-L77 PolarHBondContact O-N 2.82Å; L75-Y117 HydrophobicContact CD1-CD2 3.84Å; L75-Y117 HydrophobicContact CD1-CE2 3.96Å; L75-Y117 HydrophobicContact CD1-CG 4.37Å; L75-Y117 HydrophobicContact CD2-CD2 4.46Å; L75-Y117 HydrophobicContact CD2-CE2 3.75Å
76Q94.4Very high92.1Very high169 Ų16965.3 Ų65.379%0.7932%0.322SS*.THydrogen-bonded Turntrans54.135.1-177.1-52.9-179.332.500113.1R72 R73 R74R72-Q76 PolarHBondContact O-N 3.47Å; R72-Q76 VanDerWaalsContact O-N 3.09Å; R73-Q76 PolarHBondContact O-N 3.39Å; R74-Q76 PolarHBondContact O-N 3.16Å
77L92.9Very high91.8Very high18 Ų1861.5 Ų61.59%0.09430%0.304CS..  trans-75146.9-177.1-53.2179.7000111.6L48 P49 R72 L75 Q81 F83L48-L77 HydrophobicContact CD2-CD1 4.23Å; L48-L77 HydrophobicContact CD2-CD2 3.9Å; P49-L77 HydrophobicContact CG-CD2 4.13Å; R72-L77 HydrophobicContact CG-CB 4.08Å; R72-L77 PolarHBondContact O-N 3.39Å; L75-L77 HydrophobicContact CB-CD1 4.1Å; L75-L77 HydrophobicContact CB-CD2 3.8Å; L75-L77 HydrophobicContact CB-CG 3.57Å; L75-L77 HydrophobicContact CD1-CD1 3.95Å; L75-L77 HydrophobicContact CD1-CG 4.35Å; L75-L77 PolarHBondContact O-N 2.82Å; L77-Q81 HydrophobicContact CB-CB 4.38Å; L77-F83 HydrophobicContact CD1-CB 4.19Å; L77-F83 HydrophobicContact CD1-CD1 3.5Å; L77-F83 VanDerWaalsContact CD1-CD1 3.5Å; L77-F83 HydrophobicContact CD1-CE1 4.07Å; L77-F83 HydrophobicContact CD1-CG 3.92Å
78N91.1Very high91.2Very high99 Ų9963.5 Ų63.553%0.52932%0.315SS..  trans-62.1150.8170.5-70.9-47.5000111.3R72 T80 Q81R72-N78 PolarHBondContact NH1-O 2.76Å; R72-N78 VanDerWaalsContact NH1-O 3.12Å; N78-T80 PolarHBondContact O-N 3.34Å; N78-T80 VanDerWaalsContact O-N 3.16Å; N78-Q81 HydrophobicContact CB-CB 4.29Å; N78-Q81 PolarHBondContact O-N 3.22Å
79P87.3Confident90.3Very high117 Ų11766.5 Ų66.576%0.7633%0.326SS*.THydrogen-bonded Turntrans-55.4-32.3175.3-26.635.3000113.5R72R72-P79 VanDerWaalsContact NH1-C 3.27Å; R72-P79 PolarHBondContact NH1-O 3.18Å
80T86.8Confident89.2Confident135 Ų13568.4 Ų68.483%0.82834%0.336SS*.THydrogen-bonded Turntrans-82.4-17.4-179.952.10000113.9N78 A82N78-T80 PolarHBondContact O-N 3.34Å; N78-T80 VanDerWaalsContact O-N 3.16Å; T80-A82 PolarHBondContact O-N 3.42Å
81Q88.4Confident88.1Confident61 Ų6169.2 Ų69.229%0.28534%0.344SS..  trans-78.3117-179.8-167.6170.712.500109.5L48 R72 L77 N78L48-Q81 HydrophobicContact CD2-CG 4.42Å; R72-Q81 PolarHBondContact NH1-O 2.91Å; R72-Q81 PolarHBondContact NH2-O 3.24Å; R72-Q81 VanDerWaalsContact NH2-O 3.13Å; L77-Q81 HydrophobicContact CB-CB 4.38Å; N78-Q81 HydrophobicContact CB-CB 4.29Å; N78-Q81 PolarHBondContact O-N 3.22Å
82A87.6Confident86.9Confident40 Ų4075.6 Ų75.633%0.33138%0.376SS..  trans-81.9143176.900000110.7T80 Q120T80-A82 PolarHBondContact O-N 3.42Å; A82-Q120 HydrophobicContact CB-CB 4.34Å
83F91.6Very high85.9Confident16 Ų1674.5 Ų74.57%0.0738%0.377CS..EExtended strand (participates in β ladder)trans-150.6155.5168.282.7-77000109.4L48 V68 I71 R72 L77 L85 A118L48-F83 HydrophobicContact CD1-CB 3.66Å; V68-F83 HydrophobicContact CG1-CE1 4.09Å; V68-F83 HydrophobicContact CG1-CZ 3.92Å; I71-F83 HydrophobicContact CB-CE2 4.42Å; I71-F83 HydrophobicContact CB-CZ 4.24Å; I71-F83 HydrophobicContact CG2-CE2 3.94Å; I71-F83 HydrophobicContact CG2-CZ 4.14Å; R72-F83 HydrophobicContact CB-CE1 3.82Å; R72-F83 HydrophobicContact CB-CZ 4.3Å; R72-F83 HydrophobicContact CG-CE1 4.28Å; L77-F83 HydrophobicContact CD1-CB 4.19Å; L77-F83 HydrophobicContact CD1-CD1 3.5Å; L77-F83 VanDerWaalsContact CD1-CD1 3.5Å; L77-F83 HydrophobicContact CD1-CE1 4.07Å; L77-F83 HydrophobicContact CD1-CG 3.92Å; F83-L85 HydrophobicContact CE2-CB 4.44Å; F83-A118 CarbonylContact C-O 3.56Å; F83-A118 VanDerWaalsContact CA-O 3.29Å; F83-A118 WeakPolarHBondContact CA-O 3.39Å; F83-A118 WeakPolarHBondContact CB-O 3.29Å
84F89.8Confident85.3Confident60 Ų6069.8 Ų69.826%0.26337%0.369SS..EExtended strand (participates in β ladder)trans-108.1147.6176.1-62.5-70.6000110.4Y117 A118 Q120 F123 F125F84-Y117 WeakPolarHBondContact O-CA 3.48Å; F84-Y117 WeakPolarHBondContact O-CB 3.43Å; F84-A118 PolarHBondContact N-O 3.37Å; F84-A118 PolarHBondContact O-N 3.41Å; F84-Q120 HydrophobicContact CE2-CB 3.89Å; F84-Q120 HydrophobicContact CE2-CG 3.99Å; F84-Q120 HydrophobicContact CZ-CG 4.44Å; F84-F123 HydrophobicContact CD2-CD2 4.37Å; F84-F125 HydrophobicContact CE2-CD2 4.35Å
85L91.1Very high84.6Confident17 Ų1769 Ų699%0.08938%0.376CS..EExtended strand (participates in β ladder)trans-120.1115.8169.6-175.467.1000107.2I39 M64 L67 V68 F83 M115 V116I39-L85 HydrophobicContact CG2-CD1 3.83Å; M64-L85 HydrophobicContact CE-CD2 3.98Å; M64-L85 HydrophobicContact CE-CG 4.43Å; L67-L85 HydrophobicContact CD2-CD2 3.85Å; L67-L85 HydrophobicContact CG-CD2 3.97Å; V68-L85 HydrophobicContact CG2-CB 4.25Å; V68-L85 HydrophobicContact CG2-CD2 4.28Å; F83-L85 HydrophobicContact CE2-CB 4.44Å; L85-M115 HydrophobicContact CD1-CB 3.96Å; L85-M115 HydrophobicContact CD1-SD 4.35Å; L85-M115 HydrophobicContact CD2-SD 3.89Å; L85-M115 HydrophobicContact CG-CB 4.42Å; L85-M115 HydrophobicContact CG-SD 4.04Å; L85-V116 WeakPolarHBondContact CA-O 3.46Å
86L89.4Confident84.2Confident13 Ų1372.5 Ų72.57%0.06840%0.402CS..EExtended strand (participates in β ladder)trans-112.5134.8-172.4-61.2172.1000110.1M92 M115 V116 F123L86-M92 HydrophobicContact CD2-CG 3.88Å; L86-M115 CarbonylContact O-C 3.53Å; L86-M115 WeakPolarHBondContact O-CA 3.4Å; L86-M115 WeakPolarHBondContact O-CB 3.41Å; L86-V116 HydrophobicContact CB-CG2 3.94Å; L86-V116 HydrophobicContact CD1-CG2 4.36Å; L86-V116 PolarHBondContact N-O 2.68Å; L86-V116 PolarHBondContact O-N 2.62Å; L86-F123 HydrophobicContact CD1-CD2 4.48Å; L86-F123 HydrophobicContact CD1-CE1 3.78Å; L86-F123 HydrophobicContact CD1-CE2 3.49Å; L86-F123 VanDerWaalsContact CD1-CE2 3.49Å; L86-F123 HydrophobicContact CD1-CZ 3.11Å
87V89.6Confident84Confident1 Ų166 Ų661%0.00637%0.374CS..EExtended strand (participates in β ladder)trans-87.2132.6174.2-173.40000108.9M64 Q89 H90 S91 V93 I102 E106 L113 M115M64-V87 HydrophobicContact CE-CG2 4.5Å; V87-Q89 PolarHBondContact O-N 3.14Å; V87-H90 PolarHBondContact O-N 2.89Å; V87-H90 VanDerWaalsContact O-N 3.09Å; V87-S91 PolarHBondContact N-O 3.02Å; V87-S91 PolarHBondContact O-N 2.95Å; V87-V93 HydrophobicContact CB-CG2 4.31Å; V87-V93 HydrophobicContact CG2-CG2 3.71Å; V87-I102 HydrophobicContact CG1-CG2 3.95Å; V87-I102 HydrophobicContact CG2-CG2 4.02Å; V87-E106 HydrophobicContact CG1-CB 3.64Å; V87-E106 HydrophobicContact CG1-CG 3.97Å; V87-L113 HydrophobicContact CG1-CD1 3.75Å; V87-M115 HydrophobicContact CG2-CE 4.03Å; V87-M115 HydrophobicContact CG2-CG 4.31Å; V87-M115 HydrophobicContact CG2-SD 4.44Å
88N81.9Confident84.1Confident41 Ų4167.3 Ų67.322%0.21938%0.383CS..THydrogen-bonded Turntrans49.331.3-178.5-70.6-30.4000114.5H90 E106 Y114N88-H90 PolarHBondContact O-N 3.3Å; N88-H90 VanDerWaalsContact O-N 3.16Å; N88-H90 PolarHBondContact O-ND1 3.25Å; N88-E106 PolarHBondContact ND2-O 2.89Å; N88-E106 PolarHBondContact ND2-OE2 3.34Å; N88-Y114 PolarHBondContact N-O 3.15Å
89Q73.3Confident84.2Confident107 Ų10762.6 Ų62.650%0.536%0.358SS..THydrogen-bonded Turntrans65.82.8-179.5-53.1165.196.900115.9V87 V116V87-Q89 PolarHBondContact O-N 3.14Å; Q89-V116 HydrophobicContact CB-CG2 4.33Å; Q89-V116 HydrophobicContact CG-CG1 4.02Å; Q89-V116 HydrophobicContact CG-CG2 4.01Å
90H69.9Low84.6Confident162 Ų16258.1 Ų58.175%0.7533%0.331SS*.THydrogen-bonded Turntrans-132.7-36.9-173.4-61137.3000114.5V87 N88V87-H90 PolarHBondContact O-N 2.89Å; V87-H90 VanDerWaalsContact O-N 3.09Å; N88-H90 PolarHBondContact O-N 3.3Å; N88-H90 VanDerWaalsContact O-N 3.16Å; N88-H90 PolarHBondContact O-ND1 3.25Å
91S71.6Confident85Confident43 Ų4355.1 Ų55.130%0.30131%0.31SS..BIsolated β-bridgetrans-93.4118.3-167.2-67.30000112.5V87V87-S91 PolarHBondContact N-O 3.02Å; V87-S91 PolarHBondContact O-N 2.95Å
92M70.1Confident85.2Confident135 Ų13552.4 Ų52.467%0.66530%0.297SS*.  trans-78.6111.8159.1-72.9-169.8-73.800108.3L86L86-M92 HydrophobicContact CD2-CG 3.88Å
93V74.7Confident85.6Confident43 Ų4351.3 Ų51.326%0.26128%0.284SS..  trans-92.9149.1178.8-172.70000110M64 V87 V95 T97 I102M64-V93 HydrophobicContact CG-CB 4.46Å; M64-V93 HydrophobicContact CG-CG1 4.46Å; V87-V93 HydrophobicContact CB-CG2 4.31Å; V87-V93 HydrophobicContact CG2-CG2 3.71Å; V93-V95 PolarHBondContact O-N 3.04Å; V93-T97 HydrophobicContact CG1-CG2 4.2Å; V93-I102 HydrophobicContact CB-CD1 4.12Å; V93-I102 HydrophobicContact CG1-CD1 3.61Å; V93-I102 HydrophobicContact CG1-CG1 3.89Å; V93-I102 HydrophobicContact CG2-CD1 4.25Å
94S79.6Confident85.7Confident66 Ų6657.8 Ų57.846%0.46232%0.315SS..  trans-53.6134.8170.8176.80000110.8S96 T97S94-S96 PolarHBondContact O-N 2.97Å; S94-S96 VanDerWaalsContact O-N 3.15Å; S94-S96 PolarHBondContact OG-N 3.18Å; S94-S96 PolarHBondContact OG-OG 2.89Å; S94-T97 WeakPolarHBondContact CB-OG1 3.3Å; S94-T97 WeakPolarHBondContact O-CB 3.44Å; S94-T97 PolarHBondContact O-N 3.12Å; S94-T97 VanDerWaalsContact O-N 3.13Å; S94-T97 PolarHBondContact O-OG1 3.4Å
95V81.1Confident85.8Confident97 Ų9762 Ų6259%0.58834%0.336SS*.THydrogen-bonded Turntrans-63.9-21.4-177.9-63.30000113.2S65 V93S65-V95 WeakPolarHBondContact CB-O 3.35Å; S65-V95 PolarHBondContact N-O 2.9Å; V93-V95 PolarHBondContact O-N 3.04Å
96S87.2Confident85.8Confident82 Ų8263.8 Ų63.857%0.57334%0.344SS*.THydrogen-bonded Turntrans-85.7-14.717957.10000113.8S94 P98S94-S96 PolarHBondContact O-N 2.97Å; S94-S96 VanDerWaalsContact O-N 3.15Å; S94-S96 PolarHBondContact OG-N 3.18Å; S94-S96 PolarHBondContact OG-OG 2.89Å; S96-P98 WeakPolarHBondContact O-CD 3.48Å
97T90.1Very high86Confident34 Ų3468.3 Ų68.321%0.20936%0.363CS..SBendtrans-67.6127.3-175.5-55.80000110.5N63 M64 V93 S94 D101 I102N63-T97 WeakPolarHBondContact CA-O 3.49Å; N63-T97 WeakPolarHBondContact CB-O 3.42Å; M64-T97 PolarHBondContact N-O 3.04Å; M64-T97 VanDerWaalsContact N-O 3.11Å; V93-T97 HydrophobicContact CG1-CG2 4.2Å; S94-T97 WeakPolarHBondContact CB-OG1 3.3Å; S94-T97 WeakPolarHBondContact O-CB 3.44Å; S94-T97 PolarHBondContact O-N 3.12Å; S94-T97 VanDerWaalsContact O-N 3.13Å; S94-T97 PolarHBondContact O-OG1 3.4Å; T97-D101 HydrophobicContact CG2-CB 3.95Å; T97-I102 HydrophobicContact CG2-CD1 4.26Å; T97-I102 HydrophobicContact CG2-CG1 3.78Å
98P93.9Very high86.2Confident45 Ų4570.5 Ų70.529%0.29237%0.374SS..BIsolated β-bridgetrans-57.6144.5169.4-23.433.6000111.8S96 A100 D101 I102S96-P98 WeakPolarHBondContact O-CD 3.48Å; P98-A100 PolarHBondContact O-N 3.37Å; P98-D101 WeakPolarHBondContact CD-OD2 3.38Å; P98-D101 PolarHBondContact O-N 2.79Å; P98-I102 PolarHBondContact O-N 3.29Å
99I94.1Very high86.6Confident0 Ų077.9 Ų77.90%041%0.407CS..Hα-helixtrans-67-24.6179.8-166.1148.6000113.1I35 V37 V58 P59 V62 L67 I102 Y103 L113 M115I35-I99 HydrophobicContact CB-CG2 4.48Å; I35-I99 HydrophobicContact CG1-CG2 4.03Å; I35-I99 HydrophobicContact CG2-CG1 4.44Å; V37-I99 HydrophobicContact CG2-CD1 3.86Å; V58-I99 HydrophobicContact CB-CD1 4.24Å; V58-I99 HydrophobicContact CB-CG2 4.44Å; V58-I99 HydrophobicContact CG1-CD1 4.13Å; V58-I99 HydrophobicContact CG1-CG2 4.04Å; V58-I99 HydrophobicContact CG2-CD1 4.24Å; P59-I99 WeakPolarHBondContact O-CG2 3.07Å; V62-I99 WeakPolarHBondContact O-CB 3.43Å; V62-I99 VanDerWaalsContact O-CG2 3.29Å; V62-I99 WeakPolarHBondContact O-CG2 3.47Å; V62-I99 PolarHBondContact O-N 3.22Å; L67-I99 HydrophobicContact CD2-CD1 3.62Å; I99-I102 PolarHBondContact O-N 3.11Å; I99-Y103 WeakPolarHBondContact O-CB 3.49Å; I99-Y103 PolarHBondContact O-N 2.67Å; I99-L113 HydrophobicContact CD1-CD2 4.32Å; I99-L113 HydrophobicContact CG1-CD2 4Å; I99-M115 HydrophobicContact CD1-CE 3.83Å; I99-M115 HydrophobicContact CG1-CE 4.44Å
100A95.3Very high87.4Confident23 Ų2373.1 Ų73.119%0.1939%0.385CS..Hα-helixtrans-59.6-46.5173.200000112D60 P98 I102 Y103 E104D60-A100 HydrophobicContact CB-CB 4.1Å; D60-A100 PolarHBondContact O-N 2.84Å; P98-A100 PolarHBondContact O-N 3.37Å; A100-I102 VanDerWaalsContact C-N 3.3Å; A100-I102 PolarHBondContact O-N 2.69Å; A100-Y103 WeakPolarHBondContact O-CB 3.48Å; A100-Y103 PolarHBondContact O-N 2.84Å; A100-Y103 VanDerWaalsContact O-N 3.14Å; A100-E104 PolarHBondContact O-N 3.44Å
101D94.4Very high88.4Confident71 Ų7166 Ų6638%0.3836%0.355SS..Hα-helixtrans-64.2-38.8-179.5-58.7-5.4000111.3T97 P98 E104 Q105T97-D101 HydrophobicContact CG2-CB 3.95Å; P98-D101 WeakPolarHBondContact CD-OD2 3.38Å; P98-D101 PolarHBondContact O-N 2.79Å; D101-E104 PolarHBondContact O-N 3.16Å; D101-Q105 WeakPolarHBondContact O-CG 3.35Å; D101-Q105 PolarHBondContact O-N 3.19Å; D101-Q105 PolarHBondContact O-NE2 3.09Å
102I93.4Very high89.5Confident5 Ų564.1 Ų64.13%0.02634%0.342CS..Hα-helixtrans-64.9-44175.2-58.1174.3000110M64 V87 V93 T97 P98 I99 A100 E104 Q105 E106 L113M64-I102 HydrophobicContact CG-CD1 3.25Å; M64-I102 HydrophobicContact SD-CD1 3.36Å; M64-I102 WeakPolarHBondContact SD-CD1 3.39Å; V87-I102 HydrophobicContact CG1-CG2 3.95Å; V87-I102 HydrophobicContact CG2-CG2 4.02Å; V93-I102 HydrophobicContact CB-CD1 4.12Å; V93-I102 HydrophobicContact CG1-CD1 3.61Å; V93-I102 HydrophobicContact CG1-CG1 3.89Å; V93-I102 HydrophobicContact CG2-CD1 4.25Å; T97-I102 HydrophobicContact CG2-CD1 4.26Å; T97-I102 HydrophobicContact CG2-CG1 3.78Å; P98-I102 PolarHBondContact O-N 3.29Å; I99-I102 PolarHBondContact O-N 3.11Å; A100-I102 VanDerWaalsContact C-N 3.3Å; A100-I102 PolarHBondContact O-N 2.69Å; I102-E104 VanDerWaalsContact C-N 3.3Å; I102-E104 PolarHBondContact O-N 3.47Å; I102-Q105 PolarHBondContact O-N 2.59Å; I102-Q105 VanDerWaalsContact O-N 3.17Å; I102-E106 HydrophobicContact CG2-CB 4.2Å; I102-E106 HydrophobicContact CG2-CG 4.29Å; I102-E106 VanDerWaalsContact O-CB 3.29Å; I102-E106 WeakPolarHBondContact O-CB 3.32Å; I102-E106 PolarHBondContact O-N 3.3Å; I102-L113 HydrophobicContact CB-CD2 4.5Å; I102-L113 HydrophobicContact CG2-CD1 4.18Å; I102-L113 HydrophobicContact CG2-CD2 3.98Å
103Y94.8Very high90.7Very high16 Ų1657.7 Ų57.76%0.06331%0.31CS..Hα-helixtrans-60.6-39.1179.6179.2-99.6000112.5I35 P36 I99 A100 Q105 K107 G111 L113I35-Y103 HydrophobicContact CD1-CD1 4.16Å; I35-Y103 HydrophobicContact CD1-CG 4.18Å; I35-Y103 HydrophobicContact CG2-CD2 3.31Å; I35-Y103 HydrophobicContact CG2-CE2 3.98Å; I35-Y103 HydrophobicContact CG2-CG 3.64Å; P36-Y103 HydrophobicContact CG-CE2 4.2Å; I99-Y103 WeakPolarHBondContact O-CB 3.49Å; I99-Y103 PolarHBondContact O-N 2.67Å; A100-Y103 WeakPolarHBondContact O-CB 3.48Å; A100-Y103 PolarHBondContact O-N 2.84Å; A100-Y103 VanDerWaalsContact O-N 3.14Å; Y103-Q105 VanDerWaalsContact C-N 3.26Å; Y103-Q105 PolarHBondContact O-N 3.22Å; Y103-K107 HydrophobicContact CD1-CD 4.28Å; Y103-K107 HydrophobicContact CD2-CB 3.88Å; Y103-K107 HydrophobicContact CE1-CD 3.81Å; Y103-K107 HydrophobicContact CE2-CB 3.78Å; Y103-K107 HydrophobicContact CE2-CD 4.26Å; Y103-K107 HydrophobicContact CG-CB 4.38Å; Y103-K107 WeakPolarHBondContact O-CB 3.19Å; Y103-K107 VanDerWaalsContact O-CG 3.26Å; Y103-K107 WeakPolarHBondContact O-CG 3.49Å; Y103-K107 PolarHBondContact O-N 3.45Å; Y103-K107 VanDerWaalsContact O-N 3.16Å; Y103-G111 VanDerWaalsContact CE2-O 3.27Å; Y103-G111 WeakPolarHBondContact CE2-O 3.45Å; Y103-G111 PolarHBondContact OH-O 3.39Å; Y103-L113 HydrophobicContact CD2-CB 3.97Å
104E94.1Very high91.6Very high152 Ų15256.8 Ų56.871%0.7130%0.302SS*.Hα-helixtrans-64-33.2177.4-71.3-175.1172.900113A100 D101 I102A100-E104 PolarHBondContact O-N 3.44Å; D101-E104 PolarHBondContact O-N 3.16Å; I102-E104 VanDerWaalsContact C-N 3.3Å; I102-E104 PolarHBondContact O-N 3.47Å
105Q91.4Very high92.3Very high150 Ų15053.8 Ų53.870%0.70128%0.281SS*.Hα-helixtrans-91.4-34-175.5-64.4173.136.100113.2D101 I102 Y103D101-Q105 WeakPolarHBondContact O-CG 3.35Å; D101-Q105 PolarHBondContact O-N 3.19Å; D101-Q105 PolarHBondContact O-NE2 3.09Å; I102-Q105 PolarHBondContact O-N 2.59Å; I102-Q105 VanDerWaalsContact O-N 3.17Å; Y103-Q105 VanDerWaalsContact C-N 3.26Å; Y103-Q105 PolarHBondContact O-N 3.22Å
106E92.6Very high92.9Very high54 Ų5449.9 Ų49.925%0.25226%0.258SS..Hα-helixtrans-124.72-162.4-63.5-72164.200113.7V87 N88 I102 L113V87-E106 HydrophobicContact CG1-CB 3.64Å; V87-E106 HydrophobicContact CG1-CG 3.97Å; N88-E106 PolarHBondContact ND2-O 2.89Å; N88-E106 PolarHBondContact ND2-OE2 3.34Å; I102-E106 HydrophobicContact CG2-CB 4.2Å; I102-E106 HydrophobicContact CG2-CG 4.29Å; I102-E106 VanDerWaalsContact O-CB 3.29Å; I102-E106 WeakPolarHBondContact O-CB 3.32Å; I102-E106 PolarHBondContact O-N 3.3Å; E106-L113 HydrophobicContact CB-CD1 3.85Å
107K92.9Very high93.2Very high108 Ų10846.1 Ų46.147%0.4723%0.231SC..  trans-60.7147.717369.3-175-177.6-175.60110.7Y103Y103-K107 HydrophobicContact CD1-CD 4.28Å; Y103-K107 HydrophobicContact CD2-CB 3.88Å; Y103-K107 HydrophobicContact CE1-CD 3.81Å; Y103-K107 HydrophobicContact CE2-CB 3.78Å; Y103-K107 HydrophobicContact CE2-CD 4.26Å; Y103-K107 HydrophobicContact CG-CB 4.38Å; Y103-K107 WeakPolarHBondContact O-CB 3.19Å; Y103-K107 VanDerWaalsContact O-CG 3.26Å; Y103-K107 WeakPolarHBondContact O-CG 3.49Å; Y103-K107 PolarHBondContact O-N 3.45Å; Y103-K107 VanDerWaalsContact O-N 3.16Å
108D93.1Very high93.3Very high47 Ų4744.5 Ų44.525%0.25122%0.221SC..  trans-78.4168.7174.3-165.4-120.3000111.7K12 D110 G111 F112 Y114K12-D108 VanDerWaalsContact CE-OD1 3.29Å; K12-D108 WeakPolarHBondContact CE-OD1 3.37Å; K12-D108 IonicContact NZ-OD1 2.84Å; K12-D108 PolarHBondContact NZ-OD1 2.99Å; K12-D108 IonicContact NZ-OD2 2.6Å; K12-D108 PolarHBondContact NZ-OD2 3.49Å; D108-D110 WeakPolarHBondContact CB-OD1 3.36Å; D108-D110 PolarHBondContact O-N 3.04Å; D108-D110 VanDerWaalsContact O-N 3.16Å; D108-G111 PolarHBondContact O-N 3.12Å; D108-F112 PolarHBondContact N-O 3.35Å; D108-Y114 HydrophobicContact CB-CD2 3.66Å; D108-Y114 HydrophobicContact CB-CE2 3.59Å
109E90.3Very high93.1Very high195 Ų19542.4 Ų42.491%0.91121%0.207SC*.THydrogen-bonded Turntrans-59.6-25.8178.4-62.2-173.1153.400113.2G111E109-G111 PolarHBondContact O-N 2.77Å
110D89.9Confident92.6Very high7 Ų746 Ų464%0.03722%0.224CC..THydrogen-bonded Turntrans-77.6-9.2175.675.2-8.8000114.1R20 V24 D108 F112 Y114R20-D110 HydrophobicContact CB-CB 3.97Å; R20-D110 IonicContact CZ-OD2 3.59Å; R20-D110 IonicContact NE-OD2 3.95Å; R20-D110 VanDerWaalsContact NH1-CB 3.31Å; R20-D110 IonicContact NH1-OD2 2.59Å; R20-D110 PolarHBondContact NH1-OD2 3.07Å; V24-D110 WeakPolarHBondContact CG2-O 3.46Å; D108-D110 WeakPolarHBondContact CB-OD1 3.36Å; D108-D110 PolarHBondContact O-N 3.04Å; D108-D110 VanDerWaalsContact O-N 3.16Å; D110-F112 PolarHBondContact OD1-N 3.16Å; D110-Y114 WeakPolarHBondContact OD1-CE2 3.41Å; D110-Y114 PolarHBondContact OD2-OH 3Å
111G92.5Very high91.8Very high12 Ų1251.8 Ų51.812%0.12425%0.247CC..SBendtrans87.14-178.800000115.8V24 Y103 D108 E109V24-G111 WeakPolarHBondContact CG1-O 3.27Å; Y103-G111 VanDerWaalsContact CE2-O 3.27Å; Y103-G111 WeakPolarHBondContact CE2-O 3.45Å; Y103-G111 PolarHBondContact OH-O 3.39Å; D108-G111 PolarHBondContact O-N 3.12Å; E109-G111 PolarHBondContact O-N 2.77Å
112F94.8Very high90.9Very high4 Ų450.5 Ų50.52%0.01824%0.242CC..PPolyproline II helixtrans-89.1150.6168.7-76.2-82000111.1R20 E23 V24 P36 I38 D108 D110 Y114R20-F112 HydrophobicContact CB-CE2 4.4Å; E23-F112 HydrophobicContact CG-CZ 4.38Å; V24-F112 HydrophobicContact CG2-CD1 4.2Å; V24-F112 HydrophobicContact CG2-CD2 3.32Å; V24-F112 HydrophobicContact CG2-CE1 4.12Å; V24-F112 HydrophobicContact CG2-CE2 3.24Å; V24-F112 HydrophobicContact CG2-CG 3.82Å; V24-F112 HydrophobicContact CG2-CZ 3.66Å; P36-F112 HydrophobicContact CB-CD1 3.66Å; P36-F112 HydrophobicContact CB-CE1 3.72Å; P36-F112 HydrophobicContact CG-CD1 4.4Å; I38-F112 HydrophobicContact CD1-CB 4.03Å; I38-F112 HydrophobicContact CD1-CD1 3.76Å; I38-F112 HydrophobicContact CD1-CD2 4.04Å; I38-F112 HydrophobicContact CD1-CE1 4.19Å; I38-F112 HydrophobicContact CD1-CE2 4.43Å; I38-F112 HydrophobicContact CD1-CG 3.69Å; I38-F112 HydrophobicContact CG1-CB 4.23Å; I38-F112 HydrophobicContact CG1-CD1 3.67Å; I38-F112 HydrophobicContact CG1-CE1 4.21Å; I38-F112 HydrophobicContact CG1-CG 4.02Å; D108-F112 PolarHBondContact N-O 3.35Å; D110-F112 PolarHBondContact OD1-N 3.16Å; F112-Y114 HydrophobicContact CB-CD2 4.23Å; F112-Y114 HydrophobicContact CB-CE2 3.54Å
113L94.3Very high89.6Confident0 Ų053.5 Ų53.50%026%0.255CS..EExtended strand (participates in β ladder)trans-93.3123.4165.1-17860.7000110P36 V37 I38 V87 I99 I102 Y103 E106 M115P36-L113 PolarHBondContact O-N 3.13Å; V37-L113 CarbonylContact C-O 3.51Å; V37-L113 WeakPolarHBondContact CA-O 3.49Å; V37-L113 HydrophobicContact CG1-CB 4.4Å; V37-L113 HydrophobicContact CG1-CG 4.48Å; V37-L113 WeakPolarHBondContact CG1-O 3.42Å; V37-L113 HydrophobicContact CG2-CB 4.34Å; V37-L113 HydrophobicContact CG2-CD2 4.36Å; I38-L113 PolarHBondContact N-O 3.5Å; V87-L113 HydrophobicContact CG1-CD1 3.75Å; I99-L113 HydrophobicContact CD1-CD2 4.32Å; I99-L113 HydrophobicContact CG1-CD2 4Å; I102-L113 HydrophobicContact CB-CD2 4.5Å; I102-L113 HydrophobicContact CG2-CD1 4.18Å; I102-L113 HydrophobicContact CG2-CD2 3.98Å; Y103-L113 HydrophobicContact CD2-CB 3.97Å; E106-L113 HydrophobicContact CB-CD1 3.85Å; L113-M115 HydrophobicContact CD2-CE 3.39Å; L113-M115 HydrophobicContact CG-CE 3.88Å
114Y93.7Very high87.8Confident24 Ų2455.9 Ų55.99%0.09429%0.285CS..EExtended strand (participates in β ladder)trans-99.2129.4-177.6-71.8-92.3000111.2K12 I38 N88 D108 D110 F112K12-Y114 HydrophobicContact CD-CE1 4.02Å; K12-Y114 HydrophobicContact CD-CE2 4.32Å; K12-Y114 VanDerWaalsContact CE-CD2 3.49Å; K12-Y114 VanDerWaalsContact CE-CE1 3.45Å; K12-Y114 HydrophobicContact CG-CD1 4.38Å; K12-Y114 HydrophobicContact CG-CE1 3.47Å; K12-Y114 VanDerWaalsContact CG-CE1 3.47Å; K12-Y114 HydrophobicContact CG-CE2 4.38Å; K12-Y114 VanDerWaalsContact CG-CZ 3.47Å; K12-Y114 VanDerWaalsContact CG-OH 3.24Å; K12-Y114 WeakPolarHBondContact CG-OH 3.32Å; I38-Y114 HydrophobicContact CB-CD1 3.94Å; I38-Y114 HydrophobicContact CB-CE1 3.91Å; I38-Y114 HydrophobicContact CD1-CE1 3.63Å; I38-Y114 HydrophobicContact CG1-CE1 4.27Å; I38-Y114 HydrophobicContact CG2-CD1 4.04Å; I38-Y114 HydrophobicContact CG2-CE1 3.99Å; N88-Y114 PolarHBondContact N-O 3.15Å; D108-Y114 HydrophobicContact CB-CD2 3.66Å; D108-Y114 HydrophobicContact CB-CE2 3.59Å; D110-Y114 WeakPolarHBondContact OD1-CE2 3.41Å; D110-Y114 PolarHBondContact OD2-OH 3Å; F112-Y114 HydrophobicContact CB-CD2 4.23Å; F112-Y114 HydrophobicContact CB-CE2 3.54Å
115M94.5Very high85.5Confident3 Ų357.6 Ų57.62%0.01529%0.29CS..EExtended strand (participates in β ladder)trans-133.3151.5174-54.3-174.6-178.600111.1V37 I38 I39 E40 M64 L67 L85 L86 V87 I99 L113V37-M115 HydrophobicContact CG1-CE 4.07Å; V37-M115 HydrophobicContact CG1-CG 4.1Å; V37-M115 HydrophobicContact CG1-SD 4.03Å; I38-M115 PolarHBondContact O-N 3.37Å; I39-M115 WeakPolarHBondContact CA-O 3.39Å; I39-M115 HydrophobicContact CG1-CB 4.25Å; E40-M115 PolarHBondContact N-O 2.8Å; M64-M115 HydrophobicContact CE-CE 4.42Å; M64-M115 HydrophobicContact CE-SD 4.4Å; M64-M115 HydrophobicContact SD-CE 4.15Å; L67-M115 HydrophobicContact CD2-CE 4.09Å; L67-M115 HydrophobicContact CD2-SD 3.84Å; L85-M115 HydrophobicContact CD1-CB 3.96Å; L85-M115 HydrophobicContact CD1-SD 4.35Å; L85-M115 HydrophobicContact CD2-SD 3.89Å; L85-M115 HydrophobicContact CG-CB 4.42Å; L85-M115 HydrophobicContact CG-SD 4.04Å; L86-M115 CarbonylContact O-C 3.53Å; L86-M115 WeakPolarHBondContact O-CA 3.4Å; L86-M115 WeakPolarHBondContact O-CB 3.41Å; V87-M115 HydrophobicContact CG2-CE 4.03Å; V87-M115 HydrophobicContact CG2-CG 4.31Å; V87-M115 HydrophobicContact CG2-SD 4.44Å; I99-M115 HydrophobicContact CD1-CE 3.83Å; I99-M115 HydrophobicContact CG1-CE 4.44Å; L113-M115 HydrophobicContact CD2-CE 3.39Å; L113-M115 HydrophobicContact CG-CE 3.88Å
116V93.4Very high85.2Confident16 Ų1653 Ų5310%0.09727%0.269CS..EExtended strand (participates in β ladder)trans-126.5145.9173.1-64.40000110.6E40 Y42 L85 L86 Q89E40-V116 CarbonylContact O-C 3.55Å; E40-V116 WeakPolarHBondContact O-CA 3.38Å; Y42-V116 HydrophobicContact CD2-CB 4.46Å; Y42-V116 HydrophobicContact CD2-CG2 4.06Å; L85-V116 WeakPolarHBondContact CA-O 3.46Å; L86-V116 HydrophobicContact CB-CG2 3.94Å; L86-V116 HydrophobicContact CD1-CG2 4.36Å; L86-V116 PolarHBondContact N-O 2.68Å; L86-V116 PolarHBondContact O-N 2.62Å; Q89-V116 HydrophobicContact CB-CG2 4.33Å; Q89-V116 HydrophobicContact CG-CG1 4.02Å; Q89-V116 HydrophobicContact CG-CG2 4.01Å
117Y93.4Very high84.8Confident3 Ų352.9 Ų52.91%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-113.2143.8171.267.2-86.5000112.2I39 E40 R41 Y42 L48 P49 V50 L51 L75 F84I39-Y117 HydrophobicContact CG2-CD1 3.96Å; E40-Y117 WeakPolarHBondContact O-CD1 3.46Å; E40-Y117 WeakPolarHBondContact O-CE1 3.11Å; E40-Y117 PolarHBondContact O-N 2.8Å; R41-Y117 HydrophobicContact CB-CE1 3.99Å; R41-Y117 HydrophobicContact CB-CE2 4.02Å; R41-Y117 WeakPolarHBondContact CB-OH 3.43Å; R41-Y117 HydrophobicContact CG-CD2 4.38Å; R41-Y117 HydrophobicContact CG-CE2 3.68Å; R41-Y117 VanDerWaalsContact N-CE1 3.35Å; Y42-Y117 WeakPolarHBondContact CB-O 3.43Å; Y42-Y117 PolarHBondContact N-O 3.15Å; L48-Y117 HydrophobicContact CB-CD2 4.36Å; L48-Y117 HydrophobicContact CB-CE2 4.11Å; L48-Y117 HydrophobicContact CD1-CD2 3.83Å; L48-Y117 HydrophobicContact CD1-CE2 4.41Å; P49-Y117 WeakPolarHBondContact O-CE2 3.39Å; P49-Y117 PolarHBondContact O-OH 3.46Å; V50-Y117 WeakPolarHBondContact CA-OH 3.26Å; L51-Y117 HydrophobicContact CD1-CD1 4.22Å; L51-Y117 HydrophobicContact CD1-CE1 3.64Å; L51-Y117 HydrophobicContact CG-CE1 3.96Å; L51-Y117 PolarHBondContact N-OH 3.16Å; L75-Y117 HydrophobicContact CD1-CD2 3.84Å; L75-Y117 HydrophobicContact CD1-CE2 3.96Å; L75-Y117 HydrophobicContact CD1-CG 4.37Å; L75-Y117 HydrophobicContact CD2-CD2 4.46Å; L75-Y117 HydrophobicContact CD2-CE2 3.75Å; F84-Y117 WeakPolarHBondContact O-CA 3.48Å; F84-Y117 WeakPolarHBondContact O-CB 3.43Å
118A92.1Very high84.4Confident0 Ų049.8 Ų49.80%026%0.259CS..EExtended strand (participates in β ladder)trans-150.2163.2171.500000111.2Y42 E45 F83 F84 T122 F123Y42-A118 HydrophobicContact CD1-CB 4.5Å; Y42-A118 HydrophobicContact CG-CB 4.36Å; E45-A118 HydrophobicContact CB-CB 4.09Å; E45-A118 HydrophobicContact CG-CB 4.33Å; E45-A118 WeakPolarHBondContact OE2-CA 3.29Å; E45-A118 WeakPolarHBondContact OE2-CB 3.41Å; F83-A118 CarbonylContact C-O 3.56Å; F83-A118 VanDerWaalsContact CA-O 3.29Å; F83-A118 WeakPolarHBondContact CA-O 3.39Å; F83-A118 WeakPolarHBondContact CB-O 3.29Å; F84-A118 PolarHBondContact N-O 3.37Å; F84-A118 PolarHBondContact O-N 3.41Å; A118-T122 HydrophobicContact CB-CG2 4.03Å; A118-F123 HydrophobicContact CB-CD2 3.75Å; A118-F123 HydrophobicContact CB-CE2 3.33Å; A118-F123 HydrophobicContact CB-CZ 4.37Å
119S90.6Very high83.8Confident0 Ų050 Ų500%026%0.26CS..EExtended strand (participates in β ladder)trans-73.6166.3172.883.60000110.5E45 L48 E121 T122E45-S119 WeakPolarHBondContact OE2-CB 3.49Å; E45-S119 PolarHBondContact OE2-N 3.13Å; E45-S119 PolarHBondContact OE2-OG 2.59Å; L48-S119 VanDerWaalsContact CD1-N 3.34Å; S119-E121 VanDerWaalsContact C-N 3.32Å; S119-E121 WeakPolarHBondContact CB-OE2 3.47Å; S119-E121 PolarHBondContact OG-N 3.15Å; S119-E121 PolarHBondContact OG-OE2 3.33Å; S119-T122 PolarHBondContact O-N 3.47Å; S119-T122 PolarHBondContact OG-N 3.3Å; S119-T122 PolarHBondContact OG-OG1 3.34Å
120Q82.6Confident83.4Confident77 Ų7740.9 Ų40.936%0.3622%0.219SC..Hα-helixtrans-64.8-38.4174.6-177.8178.8-21.100112A82 F84 T122 F123 G124 F125A82-Q120 HydrophobicContact CB-CB 4.34Å; F84-Q120 HydrophobicContact CE2-CB 3.89Å; F84-Q120 HydrophobicContact CE2-CG 3.99Å; F84-Q120 HydrophobicContact CZ-CG 4.44Å; Q120-T122 VanDerWaalsContact C-N 3.25Å; Q120-T122 PolarHBondContact O-N 3.41Å; Q120-F123 PolarHBondContact O-N 2.9Å; Q120-F123 VanDerWaalsContact O-N 3.15Å; Q120-G124 PolarHBondContact O-N 3.4Å; Q120-F125 HydrophobicContact CG-CB 4.12Å; Q120-F125 PolarHBondContact NE2-O 3.41Å
121E78.2Confident83Confident143 Ų14343.2 Ų43.267%0.66823%0.231SC*.Hα-helixtrans-64.5-31.6-179-52.492.5176.900112.2S119 F123 G124S119-E121 VanDerWaalsContact C-N 3.32Å; S119-E121 WeakPolarHBondContact CB-OE2 3.47Å; S119-E121 PolarHBondContact OG-N 3.15Å; S119-E121 PolarHBondContact OG-OE2 3.33Å; E121-F123 VanDerWaalsContact C-N 3.28Å; E121-F123 PolarHBondContact O-N 3.18Å; E121-G124 PolarHBondContact O-N 3.3Å
122T76.8Confident82.3Confident44 Ų4445.4 Ų45.427%0.2724%0.239SC..Hα-helixtrans-68.2-26.6178.3-62.60000112.9Y42 E45 A118 S119 Q120Y42-T122 HydrophobicContact CD1-CG2 3.83Å; Y42-T122 HydrophobicContact CE1-CG2 4.23Å; E45-T122 HydrophobicContact CB-CG2 4.33Å; E45-T122 VanDerWaalsContact OE2-CB 3.27Å; E45-T122 WeakPolarHBondContact OE2-CB 3.44Å; E45-T122 PolarHBondContact OE2-OG1 2.79Å; A118-T122 HydrophobicContact CB-CG2 4.03Å; S119-T122 PolarHBondContact O-N 3.47Å; S119-T122 PolarHBondContact OG-N 3.3Å; S119-T122 PolarHBondContact OG-OG1 3.34Å; Q120-T122 VanDerWaalsContact C-N 3.25Å; Q120-T122 PolarHBondContact O-N 3.41Å
123F66.3Low81.4Confident68 Ų6848.6 Ų48.630%0.29826%0.256SS..Hα-helixtrans-97.8-7.9177.9-81.7-73.2000114.3Y42 F84 L86 A118 Q120 E121 F125Y42-F123 HydrophobicContact CD2-CZ 4.27Å; Y42-F123 HydrophobicContact CE2-CZ 4.29Å; Y42-F123 HydrophobicContact CG-CZ 4.38Å; F84-F123 HydrophobicContact CD2-CD2 4.37Å; L86-F123 HydrophobicContact CD1-CD2 4.48Å; L86-F123 HydrophobicContact CD1-CE1 3.78Å; L86-F123 HydrophobicContact CD1-CE2 3.49Å; L86-F123 VanDerWaalsContact CD1-CE2 3.49Å; L86-F123 HydrophobicContact CD1-CZ 3.11Å; A118-F123 HydrophobicContact CB-CD2 3.75Å; A118-F123 HydrophobicContact CB-CE2 3.33Å; A118-F123 HydrophobicContact CB-CZ 4.37Å; Q120-F123 PolarHBondContact O-N 2.9Å; Q120-F123 VanDerWaalsContact O-N 3.15Å; E121-F123 VanDerWaalsContact C-N 3.28Å; E121-F123 PolarHBondContact O-N 3.18Å; F123-F125 HydrophobicContact CB-CD2 4.17Å; F123-F125 HydrophobicContact CB-CE2 4.39Å
124G56.5Low80.3Confident67 Ų6752.7 Ų52.769%0.69128%0.277SS*.THydrogen-bonded Turntrans73.430.2171.600000115.7Q120 E121Q120-G124 PolarHBondContact O-N 3.4Å; E121-G124 PolarHBondContact O-N 3.3Å
125F45.4Very low79.1Confident187 Ų18755.3 Ų55.382%0.8229%0.294SS*.  trans-86.80169.2-73.8-76.7000112.5F84 Q120 F123F84-F125 HydrophobicContact CE2-CD2 4.35Å; Q120-F125 HydrophobicContact CG-CB 4.12Å; Q120-F125 PolarHBondContact NE2-O 3.41Å; F123-F125 HydrophobicContact CB-CD2 4.17Å; F123-F125 HydrophobicContact CB-CE2 4.39Å

Retrieved 125 of 125 residues in 264.1 ms (Link to these results)

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