X5J5J8_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5J8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 106 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
1A81.4Confident94.8Very high112 Ų11274.5 Ų74.593%0.92645%0.454SS*.  0141.9000000107.6T101A1-T101 CarbonylContact C-O 3.6Å; A1-T101 WeakPolarHBondContact CA-O 3.45Å
2E90.8Very high95Very high85 Ų8568.6 Ų68.640%0.39742%0.418SS..EExtended strand (participates in β ladder)trans-115.6137.1-176.6-68.5-67.1164.400109.2V10 L12 T100 T101 L102 T103E2-V10 HydrophobicContact CB-CG2 4.2Å; E2-V10 HydrophobicContact CG-CG2 4.12Å; E2-L12 HydrophobicContact CG-CD2 3.81Å; E2-T100 HydrophobicContact CG-CG2 4.01Å; E2-T101 PolarHBondContact N-O 2.62Å; E2-L102 HydrophobicContact CB-CD1 3.74Å; E2-L102 WeakPolarHBondContact O-CA 3.28Å; E2-T103 PolarHBondContact O-N 3.26Å
3L94.3Very high95.2Very high129 Ų12968.9 Ų68.968%0.67543%0.425SS*.EExtended strand (participates in β ladder)trans-115.9125.9174.8-176.267.4000108.6T103 S105L3-T103 WeakPolarHBondContact CA-O 3.45Å; L3-T103 HydrophobicContact CD1-CG2 3.98Å; L3-S105 WeakPolarHBondContact CD1-OG 3.3Å
4A95.8Very high95.4Very high13 Ų1365 Ų6511%0.10740%0.401CS..EExtended strand (participates in β ladder)trans-134.9155.3-178.600000111.4L78 L102 T103 V104 S105A4-L78 HydrophobicContact CB-CD1 3.48Å; A4-L78 VanDerWaalsContact CB-CD1 3.48Å; A4-L102 HydrophobicContact CB-CD1 4.14Å; A4-T103 PolarHBondContact N-O 2.9Å; A4-V104 CarbonylContact O-C 3.6Å; A4-V104 VanDerWaalsContact O-CA 3.26Å; A4-V104 WeakPolarHBondContact O-CA 3.33Å; A4-S105 PolarHBondContact O-N 2.67Å
5K96.7Very high95.4Very high136 Ų13671.3 Ų71.359%0.59142%0.421SS*.  trans-89.5154171.6-67.7-173174.9-171.90110.7G7 A8K5-G7 PolarHBondContact O-N 3.27Å; K5-A8 WeakPolarHBondContact O-CB 3.49Å; K5-A8 PolarHBondContact O-N 3.02Å; K5-A8 VanDerWaalsContact O-N 3.13Å
6P97.5Very high95.4Very high53 Ų5367.4 Ų67.434%0.34440%0.4SS..THydrogen-bonded Turntrans-52.1140.5169-24.733.4000111.7A8 L78 Y80 V104P6-A8 PolarHBondContact O-N 2.88Å; P6-L78 CarbonylContact C-O 3.42Å; P6-L78 WeakPolarHBondContact CA-O 3.39Å; P6-Y80 HydrophobicContact CG-CD1 4.41Å; P6-Y80 HydrophobicContact CG-CE1 3.72Å; P6-Y80 HydrophobicContact CG-CE2 4.09Å; P6-V104 HydrophobicContact CG-CG1 4.06Å
7G96.5Very high95.2Very high55 Ų5569.4 Ų69.457%0.56742%0.417SS*.THydrogen-bonded Turntrans81.7-15.2-176.600000115K5 L78K5-G7 PolarHBondContact O-N 3.27Å; G7-L78 PolarHBondContact N-O 2.98Å
8A97.1Very high95Very high38 Ų3870.4 Ų70.431%0.31445%0.445SS..  trans-70.2169.9176.900000112.1K5 P6 S77 L78K5-A8 WeakPolarHBondContact O-CB 3.49Å; K5-A8 PolarHBondContact O-N 3.02Å; K5-A8 VanDerWaalsContact O-N 3.13Å; P6-A8 PolarHBondContact O-N 2.88Å; A8-S77 PolarHBondContact O-N 2.88Å; A8-L78 WeakPolarHBondContact O-CB 3.42Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.26Å; A8-L78 PolarHBondContact O-N 2.79Å
9S97.3Very high94.8Very high69 Ų6969.8 Ų69.848%0.48343%0.434SS..  trans-117.2145.8168.3-58.90000109.9L75 S76S9-L75 CarbonylContact C-O 3.51Å; S9-L75 WeakPolarHBondContact CA-O 3.31Å; S9-L75 WeakPolarHBondContact CB-O 3.38Å; S9-S76 WeakPolarHBondContact OG-CA 3.17Å
10V97.4Very high94.8Very high17 Ų1770.8 Ų70.810%0.10344%0.439CS..EExtended strand (participates in β ladder)trans-129.1144.7175.970.20000110.1E2 L12 Q74 L75 L78 L102E2-V10 HydrophobicContact CB-CG2 4.2Å; E2-V10 HydrophobicContact CG-CG2 4.12Å; V10-L12 HydrophobicContact CG1-CD2 4.43Å; V10-L12 HydrophobicContact CG2-CD2 4.06Å; V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 3.31Å; V10-L75 HydrophobicContact CG1-CB 4.12Å; V10-L75 HydrophobicContact CG1-CD1 4.39Å; V10-L75 PolarHBondContact N-O 3.37Å; V10-L75 PolarHBondContact O-N 2.68Å; V10-L78 HydrophobicContact CB-CD1 4.13Å; V10-L78 HydrophobicContact CG1-CD1 3.9Å; V10-L78 HydrophobicContact CG1-CD2 4.4Å; V10-L102 HydrophobicContact CB-CD1 4.49Å; V10-L102 HydrophobicContact CG1-CD1 4.04Å; V10-L102 HydrophobicContact CG1-CD2 3.83Å; V10-L102 HydrophobicContact CG2-CD1 4.43Å
11K97.7Very high94.8Very high113 Ų11367.7 Ų67.749%0.49142%0.419SS..EExtended strand (participates in β ladder)trans-114.1110.1175.6-174.2177179.9179.50109.4Y72K11-Y72 HydrophobicContact CD-CD1 4.32Å; K11-Y72 VanDerWaalsContact CE-CB 3.45Å; K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å
12L97.9Very high95.5Very high3 Ų364.7 Ų64.72%0.01639%0.39CS..EExtended strand (participates in β ladder)trans-88.3146.3174.8-54.1-174.8000109.7E2 V10 W28 Y72 M73 Y86 T100E2-L12 HydrophobicContact CG-CD2 3.81Å; V10-L12 HydrophobicContact CG1-CD2 4.43Å; V10-L12 HydrophobicContact CG2-CD2 4.06Å; L12-W28 HydrophobicContact CB-CH2 4.04Å; L12-W28 HydrophobicContact CB-CZ3 3.96Å; L12-Y72 CarbonylContact O-C 3.54Å; L12-Y72 WeakPolarHBondContact O-CA 3.46Å; L12-Y72 WeakPolarHBondContact O-CB 3.48Å; L12-M73 HydrophobicContact CD1-CE 3.75Å; L12-M73 HydrophobicContact CG-CE 4.5Å; L12-M73 PolarHBondContact N-O 2.81Å; L12-M73 PolarHBondContact O-N 2.93Å; L12-Y86 HydrophobicContact CD1-CD1 4.42Å; L12-Y86 HydrophobicContact CD1-CD2 3.95Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å; L12-T100 HydrophobicContact CD2-CG2 4.05Å
13S97.5Very high95.7Very high73 Ų7363.9 Ų63.951%0.5139%0.393SS..EExtended strand (participates in β ladder)trans-122149.8178.968.40000111.6A71 Y72S13-A71 CarbonylContact C-O 3.57Å; S13-A71 WeakPolarHBondContact CA-O 3.43Å; S13-Y72 VanDerWaalsContact CB-CD1 3.46Å; S13-Y72 VanDerWaalsContact CB-CE1 3.44Å
14C97.1Very high95.8Very high14 Ų1461.4 Ų61.410%0.09538%0.376CS..EExtended strand (participates in β ladder)trans-138.8105.7174.3176.80000108.9W28 T70 A71 C88C14-W28 HydrophobicContact CB-CH2 3.88Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; C14-T70 WeakPolarHBondContact O-CA 3.49Å; C14-A71 PolarHBondContact N-O 2.98Å; C14-A71 PolarHBondContact O-N 2.97Å; C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.27Å; C14-C88 WeakPolarHBondContact SG-CB 3.49Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.36Å
15K96.5Very high95.8Very high159 Ų15964.8 Ų64.869%0.69139%0.386SS*.EExtended strand (participates in β ladder)trans-89.2121.4179.9-173.5173.4-176.6178.80110
16A94.3Very high95.9Very high10 Ų1058.6 Ų58.68%0.08336%0.359CS..  trans-78.4147.5173.800000111.1Y19 F21 S69A16-Y19 HydrophobicContact CB-CE1 3.96Å; A16-Y19 HydrophobicContact CB-CE2 4.14Å; A16-Y19 VanDerWaalsContact CB-OH 3.26Å; A16-Y19 WeakPolarHBondContact CB-OH 3.29Å; A16-F21 HydrophobicContact CB-CB 4.11Å; A16-F21 HydrophobicContact CB-CD2 3.4Å; A16-F21 HydrophobicContact CB-CE2 4.11Å; A16-F21 HydrophobicContact CB-CG 4.04Å; A16-S69 WeakPolarHBondContact CB-O 3.38Å; A16-S69 PolarHBondContact N-O 3.05Å
17S92.5Very high95.9Very high100 Ų10056.9 Ų56.970%0.69935%0.346SS*.  trans-149.3151.4174.162.50000110.3Y19S17-Y19 WeakPolarHBondContact O-CD1 3.4Å; S17-Y19 PolarHBondContact O-N 2.96Å
18G91.6Very high96Very high89 Ų8954.4 Ų54.492%0.91832%0.32SS*.SBendtrans78.98.8176.300000116.1
19Y90.4Very high96.1Very high59 Ų5952.8 Ų52.823%0.23131%0.306CS..SBendtrans-157.8167.2175.264.1-87.7000111.9A16 S17 F21 Y24 M26 R90A16-Y19 HydrophobicContact CB-CE1 3.96Å; A16-Y19 HydrophobicContact CB-CE2 4.14Å; A16-Y19 VanDerWaalsContact CB-OH 3.26Å; A16-Y19 WeakPolarHBondContact CB-OH 3.29Å; S17-Y19 WeakPolarHBondContact O-CD1 3.4Å; S17-Y19 PolarHBondContact O-N 2.96Å; Y19-F21 PolarHBondContact O-N 3.46Å; Y19-F21 VanDerWaalsContact O-N 3.08Å; Y19-Y24 AromaticContact CD2-CD2 3.4Å; Y19-Y24 HydrophobicContact CD2-CD2 3.4Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.4Å; Y19-Y24 AromaticContact CD2-CE2 3.73Å; Y19-Y24 HydrophobicContact CD2-CE2 3.73Å; Y19-Y24 HydrophobicContact CD2-CG 4.46Å; Y19-Y24 AromaticContact CE2-CD2 3.73Å; Y19-Y24 HydrophobicContact CE2-CD2 3.73Å; Y19-Y24 HydrophobicContact CE2-CE2 4.47Å; Y19-Y24 HydrophobicContact CE2-CG 4.43Å; Y19-Y24 HydrophobicContact CG-CD2 4.37Å; Y19-Y24 HydrophobicContact CG-CE2 4.32Å; Y19-M26 WeakPolarHBondContact OH-CE 3.25Å; Y19-R90 HydrophobicContact CE2-CG 4.37Å
20T95.1Very high96.1Very high88 Ų8849.6 Ų49.654%0.5428%0.284SS..  trans-70.8100.5173.4-54.80000110T22 S23T20-T22 PolarHBondContact O-N 2.82Å; T20-T22 VanDerWaalsContact O-N 3.12Å; T20-S23 WeakPolarHBondContact CB-OG 3.43Å; T20-S23 WeakPolarHBondContact CG2-OG 3.26Å; T20-S23 WeakPolarHBondContact O-CB 3.33Å; T20-S23 PolarHBondContact O-N 3.25Å
21F95.6Very high96.2Very high6 Ų652 Ų523%0.02629%0.293CS..G310 helixtrans-52.3-37.6-174174.4-123.2000114.1A16 Y19 S23 M26 P45 A64 S69 A71A16-F21 HydrophobicContact CB-CB 4.11Å; A16-F21 HydrophobicContact CB-CD2 3.4Å; A16-F21 HydrophobicContact CB-CE2 4.11Å; A16-F21 HydrophobicContact CB-CG 4.04Å; Y19-F21 PolarHBondContact O-N 3.46Å; Y19-F21 VanDerWaalsContact O-N 3.08Å; F21-S23 VanDerWaalsContact C-N 3.27Å; F21-S23 PolarHBondContact O-N 2.94Å; F21-M26 HydrophobicContact CE2-CE 4.06Å; F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.37Å; F21-P45 HydrophobicContact CD2-CG 4.2Å; F21-P45 HydrophobicContact CE1-CB 3.45Å; F21-P45 VanDerWaalsContact CE1-CB 3.45Å; F21-P45 HydrophobicContact CE1-CG 3.95Å; F21-P45 HydrophobicContact CE2-CB 4.2Å; F21-P45 HydrophobicContact CE2-CG 3.74Å; F21-P45 HydrophobicContact CG-CB 4.39Å; F21-P45 HydrophobicContact CZ-CB 3.65Å; F21-P45 HydrophobicContact CZ-CG 3.6Å; F21-A64 HydrophobicContact CE1-CB 4.14Å; F21-A64 HydrophobicContact CZ-CB 4.13Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; F21-A71 HydrophobicContact CE2-CB 4.28Å; F21-A71 HydrophobicContact CZ-CB 3.98Å
22T96.6Very high96Very high49 Ų4949.1 Ų49.130%0.30128%0.279SS..G310 helixtrans-74.4-12-178.9510000114.4T20 Y24 S46 K66T20-T22 PolarHBondContact O-N 2.82Å; T20-T22 VanDerWaalsContact O-N 3.12Å; T22-Y24 VanDerWaalsContact C-N 3.3Å; T22-S46 WeakPolarHBondContact O-CB 3.48Å; T22-K66 HydrophobicContact CG2-CD 4.34Å; T22-K66 HydrophobicContact CG2-CG 4.03Å
23S95.4Very high95.7Very high68 Ų6854.7 Ų54.748%0.47632%0.316SS..G310 helixtrans-80.4-11179-61.40000113.4T20 F21T20-S23 WeakPolarHBondContact CB-OG 3.43Å; T20-S23 WeakPolarHBondContact CG2-OG 3.26Å; T20-S23 WeakPolarHBondContact O-CB 3.33Å; T20-S23 PolarHBondContact O-N 3.25Å; F21-S23 VanDerWaalsContact C-N 3.27Å; F21-S23 PolarHBondContact O-N 2.94Å
24Y95Very high95.4Very high77 Ų7755.7 Ų55.730%0.30234%0.337SS..SBendtrans-132.8145-173.2-57.7-83.9000112.7Y19 T22 P45 R90 W91Y19-Y24 AromaticContact CD2-CD2 3.4Å; Y19-Y24 HydrophobicContact CD2-CD2 3.4Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.4Å; Y19-Y24 AromaticContact CD2-CE2 3.73Å; Y19-Y24 HydrophobicContact CD2-CE2 3.73Å; Y19-Y24 HydrophobicContact CD2-CG 4.46Å; Y19-Y24 AromaticContact CE2-CD2 3.73Å; Y19-Y24 HydrophobicContact CE2-CD2 3.73Å; Y19-Y24 HydrophobicContact CE2-CE2 4.47Å; Y19-Y24 HydrophobicContact CE2-CG 4.43Å; Y19-Y24 HydrophobicContact CG-CD2 4.37Å; Y19-Y24 HydrophobicContact CG-CE2 4.32Å; T22-Y24 VanDerWaalsContact C-N 3.3Å; Y24-P45 WeakPolarHBondContact O-CD 3.4Å; Y24-P45 WeakPolarHBondContact O-CG 3.15Å; Y24-R90 HydrophobicContact CD1-CG 4.31Å; Y24-R90 HydrophobicContact CG-CG 3.97Å; Y24-W91 HydrophobicContact CD1-CB 3.83Å; Y24-W91 AromaticContact CD1-CD2 3.97Å; Y24-W91 HydrophobicContact CD1-CD2 3.97Å; Y24-W91 AromaticContact CD1-CE3 3.86Å; Y24-W91 HydrophobicContact CD1-CE3 3.86Å; Y24-W91 AromaticContact CD1-CG 3.95Å; Y24-W91 HydrophobicContact CD1-CG 3.95Å; Y24-W91 HydrophobicContact CG-CE3 4.41Å
25W96.9Very high95.3Very high85 Ų8559.6 Ų59.632%0.32236%0.355SS..  trans-70.5144.6169.5-57.6-3.2000110.3Y42 I43 N44 W91W25-Y42 HydrophobicContact CB-CD2 4.2Å; W25-Y42 AromaticContact CD2-CD2 3.98Å; W25-Y42 HydrophobicContact CD2-CD2 3.98Å; W25-Y42 AromaticContact CD2-CE2 3.77Å; W25-Y42 HydrophobicContact CD2-CE2 3.77Å; W25-Y42 HydrophobicContact CE3-CD1 4.04Å; W25-Y42 AromaticContact CE3-CD2 3.78Å; W25-Y42 HydrophobicContact CE3-CD2 3.78Å; W25-Y42 AromaticContact CE3-CE1 3.8Å; W25-Y42 HydrophobicContact CE3-CE1 3.8Å; W25-Y42 AromaticContact CE3-CE2 3.48Å; W25-Y42 HydrophobicContact CE3-CE2 3.48Å; W25-Y42 VanDerWaalsContact CE3-CE2 3.48Å; W25-Y42 HydrophobicContact CE3-CG 4.09Å; W25-Y42 AromaticContact CE3-CZ 3.51Å; W25-Y42 HydrophobicContact CG-CD2 4.18Å; W25-Y42 HydrophobicContact CG-CE2 4.38Å; W25-Y42 HydrophobicContact CH2-CE2 4.31Å; W25-Y42 HydrophobicContact CZ3-CD1 4.43Å; W25-Y42 HydrophobicContact CZ3-CD2 4.49Å; W25-Y42 AromaticContact CZ3-CE1 3.74Å; W25-Y42 HydrophobicContact CZ3-CE1 3.74Å; W25-Y42 AromaticContact CZ3-CE2 3.78Å; W25-Y42 HydrophobicContact CZ3-CE2 3.78Å; W25-Y42 AromaticContact CZ3-CZ 3.37Å; W25-Y42 WeakPolarHBondContact CZ3-OH 3.19Å; W25-I43 WeakPolarHBondContact CA-O 3.49Å; W25-N44 PolarHBondContact NE1-ND2 3.45Å; W25-W91 HydrophobicContact CB-CE3 4.34Å; W25-W91 AromaticContact CD1-CZ3 3.74Å; W25-W91 HydrophobicContact CD2-CZ3 4.35Å; W25-W91 HydrophobicContact CG-CE3 4.18Å; W25-W91 HydrophobicContact CG-CZ3 4.04Å; W25-W91 AromaticContact NE1-CZ3 3.85Å; W25-W91 PolarHBondContact O-N 2.81Å
26M98Very high95.1Very high6 Ų654.8 Ų54.83%0.0335%0.35CS..EExtended strand (participates in β ladder)trans-110.1114.7174.5-173.161.467.900109.3Y19 F21 Y42 I43 A71 C88 A89Y19-M26 WeakPolarHBondContact OH-CE 3.25Å; F21-M26 HydrophobicContact CE2-CE 4.06Å; M26-Y42 CarbonylContact O-C 3.53Å; M26-Y42 WeakPolarHBondContact O-CA 3.49Å; M26-Y42 WeakPolarHBondContact O-CB 3.4Å; M26-I43 HydrophobicContact CB-CG2 4.11Å; M26-I43 PolarHBondContact N-O 2.68Å; M26-I43 PolarHBondContact O-N 2.96Å; M26-A71 HydrophobicContact CB-CB 4.04Å; M26-A71 HydrophobicContact CG-CB 3.61Å; M26-C88 HydrophobicContact CG-CB 4.34Å; M26-C88 HydrophobicContact SD-CB 3.74Å; M26-A89 VanDerWaalsContact SD-O 3.32Å
27H98.4Very high95.3Very high16 Ų1658.8 Ų58.87%0.07437%0.369CS..EExtended strand (participates in β ladder)trans-88.9148.3177.9-67.1-109.7000110.2W39 G41 Y42 C88 A89 W91 F93H27-W39 AromaticContact CG-NE1 3.95Å; H27-W39 AromaticContact ND1-CD1 3.88Å; H27-W39 AromaticContact ND1-NE1 3.13Å; H27-W39 PolarHBondContact ND1-NE1 2.94Å; H27-W39 VanDerWaalsContact ND1-NE1 3.13Å; H27-G41 CarbonylContact C-O 3.56Å; H27-G41 WeakPolarHBondContact CA-O 3.11Å; H27-Y42 AromaticContact CE1-CD1 3.58Å; H27-Y42 AromaticContact CE1-CG 3.98Å; H27-C88 CarbonylContact O-C 3.51Å; H27-C88 WeakPolarHBondContact O-CA 3.39Å; H27-A89 HydrophobicContact CB-CB 4.36Å; H27-A89 WeakPolarHBondContact CB-O 3.4Å; H27-A89 PolarHBondContact N-O 2.87Å; H27-A89 PolarHBondContact O-N 3.12Å; H27-W91 PolarHBondContact CD2-O 2.91Å; H27-W91 VanDerWaalsContact CD2-O 3.29Å; H27-W91 PolarHBondContact NE2-O 3.44Å; H27-W91 VanDerWaalsContact NE2-O 3.16Å; H27-F93 HydrophobicContact CB-CE1 3.78Å; H27-F93 HydrophobicContact CB-CZ 4.18Å; H27-F93 AromaticContact CG-CE1 3.95Å; H27-F93 AromaticContact CG-CZ 3.88Å; H27-F93 AromaticContact ND1-CE1 3.97Å; H27-F93 AromaticContact ND1-CZ 3.43Å; H27-F93 WeakPolarHBondContact ND1-CZ 3.32Å
28W98.6Very high95.5Very high4 Ų456 Ų562%0.01535%0.345CS..EExtended strand (participates in β ladder)trans-119.2136.5170.6-71.890.8000109.9L12 C14 I40 G41 L62 A71 M73 Y87 C88L12-W28 HydrophobicContact CB-CH2 4.04Å; L12-W28 HydrophobicContact CB-CZ3 3.96Å; C14-W28 HydrophobicContact CB-CH2 3.88Å; C14-W28 HydrophobicContact CB-CZ2 3.96Å; W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.28Å; W28-I40 PolarHBondContact O-N 3.42Å; W28-G41 PolarHBondContact N-O 3.13Å; W28-L62 HydrophobicContact CG-CD2 4.05Å; W28-A71 HydrophobicContact CZ2-CB 4.39Å; W28-M73 HydrophobicContact CB-SD 3.94Å; W28-M73 HydrophobicContact CD2-CB 3.6Å; W28-M73 HydrophobicContact CD2-CE 4.35Å; W28-M73 HydrophobicContact CD2-CG 4.43Å; W28-M73 HydrophobicContact CD2-SD 4.11Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-CE 3.78Å; W28-M73 HydrophobicContact CE3-SD 4.14Å; W28-M73 HydrophobicContact CG-CB 4.09Å; W28-M73 HydrophobicContact CG-SD 4.04Å; W28-M73 HydrophobicContact CH2-CB 4.12Å; W28-M73 HydrophobicContact CZ2-CB 3.86Å; W28-M73 HydrophobicContact CZ3-CB 4.13Å; W28-M73 HydrophobicContact CZ3-CE 4.26Å; W28-Y87 WeakPolarHBondContact CA-O 3.4Å; W28-C88 HydrophobicContact CE3-CB 4.41Å; W28-C88 HydrophobicContact CH2-CB 4.49Å; W28-C88 HydrophobicContact CZ3-CB 4.4Å
29V98.4Very high95.8Very high3 Ų355.1 Ų55.12%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-138.8136-173.1-175.30000109.5L37 E38 Y86 Y87 F93 W96V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.92Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; V29-E38 CarbonylContact C-O 3.52Å; V29-E38 WeakPolarHBondContact CA-O 3.37Å; V29-E38 WeakPolarHBondContact CG1-O 3.38Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 2.96Å; V29-Y87 PolarHBondContact N-O 2.98Å; V29-Y87 PolarHBondContact O-N 3.12Å; V29-F93 HydrophobicContact CG2-CE1 3.93Å; V29-W96 HydrophobicContact CB-CH2 4.28Å; V29-W96 HydrophobicContact CB-CZ3 3.92Å; V29-W96 HydrophobicContact CG1-CH2 4.22Å; V29-W96 HydrophobicContact CG1-CZ3 4.12Å; V29-W96 HydrophobicContact CG2-CH2 3.85Å; V29-W96 HydrophobicContact CG2-CZ3 3.84Å
30K97.9Very high96.2Very high3 Ų352.3 Ų52.31%0.01330%0.303CS..EExtended strand (participates in β ladder)trans-102.7139.1175.1-177.9178.3-178.1174.20109.7E38 I40 F56 E81 D82 A84 Y86K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 3.19Å; K30-E38 PolarHBondContact O-N 3.12Å; K30-I40 HydrophobicContact CB-CD1 4.06Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; K30-F56 HydrophobicContact CD-CE1 3.99Å; K30-F56 HydrophobicContact CD-CZ 4.11Å; K30-E81 WeakPolarHBondContact CE-O 3.34Å; K30-E81 PolarHBondContact NZ-O 2.94Å; K30-D82 IonicContact NZ-OD1 3.5Å; K30-D82 PolarHBondContact NZ-OD1 2.92Å; K30-A84 HydrophobicContact CD-CB 4.27Å; K30-A84 HydrophobicContact CG-CB 3.61Å; K30-Y86 HydrophobicContact CB-CD1 4.11Å; K30-Y86 HydrophobicContact CB-CE1 3.86Å; K30-Y86 HydrophobicContact CD-CE1 3.91Å; K30-Y86 WeakPolarHBondContact CE-OH 3.33Å; K30-Y86 HydrophobicContact CG-CD1 4.29Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å
31Q97.8Very high96.3Very high66 Ų6648.1 Ų48.131%0.30828%0.277SS..EExtended strand (participates in β ladder)trans-129.8115.7170.9-168.3-176.931.700110.1L37 A84 V85 Y87Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; Q31-A84 WeakPolarHBondContact O-CA 3.06Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.25Å; Q31-V85 PolarHBondContact N-O 3.36Å; Q31-V85 PolarHBondContact O-N 2.85Å; Q31-Y87 HydrophobicContact CB-CD2 4.38Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.32Å; Q31-Y87 PolarHBondContact OE1-OH 2.87Å
32R95.3Very high96.4Very high53 Ų5348.8 Ų48.820%0.228%0.28CS..  trans-87.1149.9170.1-67.7-175.1-176.2138.1-10.6110.4G34 Q35 E81 A84R32-G34 PolarHBondContact O-N 3.16Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 PolarHBondContact O-N 2.82Å; R32-E81 PolarHBondContact NE-O 2.84Å; R32-E81 PolarHBondContact NH2-O 2.82Å; R32-E81 IonicContact NH2-OE2 3.36Å; R32-A84 HydrophobicContact CG-CB 4.19Å
33P90.9Very high96.5Very high121 Ų12146.6 Ų46.679%0.78627%0.266SS*.THydrogen-bonded Turntrans-53.3127.6173.4-25.434.7000111.3Q35P33-Q35 PolarHBondContact O-N 3.05Å
34G91.9Very high96.7Very high93 Ų9345 Ų4596%0.95925%0.252SS*.THydrogen-bonded Turntrans72.35.7-179.700000115.7R32R32-G34 PolarHBondContact O-N 3.16Å
35Q93.4Very high96.8Very high97 Ų9741.4 Ų41.445%0.45324%0.239SC..SBendtrans-115.1161.1176.8-58.3-170.3-1.100111.7R32 P33R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.05Å; R32-Q35 PolarHBondContact O-N 2.82Å; P33-Q35 PolarHBondContact O-N 3.05Å
36G94.1Very high96.8Very high57 Ų5740.3 Ų40.359%0.58824%0.244SC*.  trans-68173.9173.300000113.1
37L96.6Very high96.8Very high95 Ų9543.9 Ų43.950%0.49727%0.269SS..EExtended strand (participates in β ladder)trans-72.7128.2174.3-65.4174000110.5V29 Q31 W96V29-L37 HydrophobicContact CG1-CB 3.79Å; V29-L37 HydrophobicContact CG1-CD2 3.92Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; Q31-L37 HydrophobicContact CB-CD2 3.86Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; L37-W96 HydrophobicContact CD1-CH2 3.88Å; L37-W96 HydrophobicContact CD1-CZ2 4.47Å; L37-W96 HydrophobicContact CD1-CZ3 4.42Å
38E97.4Very high96.7Very high40 Ų4045.1 Ų45.119%0.18729%0.287CS..EExtended strand (participates in β ladder)trans-107.4113.9174.4-64.8-167.5118.900110V29 K30 I40 K55 F56V29-E38 CarbonylContact C-O 3.52Å; V29-E38 WeakPolarHBondContact CA-O 3.37Å; V29-E38 WeakPolarHBondContact CG1-O 3.38Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 3.19Å; K30-E38 PolarHBondContact O-N 3.12Å; E38-I40 PolarHBondContact O-N 3.1Å; E38-K55 IonicContact OE1-NZ 3.46Å; E38-K55 PolarHBondContact OE1-NZ 2.68Å; E38-F56 HydrophobicContact CB-CE2 4.45Å; E38-F56 HydrophobicContact CB-CZ 4.36Å
39W97.9Very high96.7Very high71 Ų7151.2 Ų51.227%0.26931%0.311SS..EExtended strand (participates in β ladder)trans-71.3125.4175.4-179.870.7000110.8H27 G41 Y42 K51 N53 F93H27-W39 AromaticContact CG-NE1 3.95Å; H27-W39 AromaticContact ND1-CD1 3.88Å; H27-W39 AromaticContact ND1-NE1 3.13Å; H27-W39 PolarHBondContact ND1-NE1 2.94Å; H27-W39 VanDerWaalsContact ND1-NE1 3.13Å; W39-G41 VanDerWaalsContact CE2-CA 3.5Å; W39-G41 PolarHBondContact NE1-O 2.91Å; W39-G41 VanDerWaalsContact NE1-O 3.1Å; W39-Y42 HydrophobicContact CH2-CD1 4.27Å; W39-Y42 AromaticContact CZ2-CD1 3.51Å; W39-Y42 HydrophobicContact CZ2-CD1 3.51Å; W39-Y42 HydrophobicContact CZ2-CE1 4.18Å; W39-Y42 HydrophobicContact CZ2-CG 4.33Å; W39-K51 HydrophobicContact CH2-CB 4.43Å; W39-K51 HydrophobicContact CH2-CD 4.32Å; W39-K51 HydrophobicContact CH2-CG 4.13Å; W39-N53 HydrophobicContact CE3-CB 3.87Å; W39-N53 HydrophobicContact CZ3-CB 4Å; W39-N53 WeakPolarHBondContact O-CB 3.22Å; W39-N53 PolarHBondContact O-ND2 3Å; W39-F93 AromaticContact CD1-CZ 3.94Å
40I98.3Very high96.6Very high0 Ų053.1 Ų53.10%032%0.323CS..EExtended strand (participates in β ladder)trans-89.1-49.2-178.7-61.7176.2000110.3W28 K30 E38 N53 F56 A60 M73 Y86W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.28Å; W28-I40 PolarHBondContact O-N 3.42Å; K30-I40 HydrophobicContact CB-CD1 4.06Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; E38-I40 PolarHBondContact O-N 3.1Å; I40-N53 PolarHBondContact O-N 3.46Å; I40-F56 HydrophobicContact CB-CD2 4.3Å; I40-F56 HydrophobicContact CB-CG 4.27Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.21Å; I40-F56 HydrophobicContact CG1-CE1 4.17Å; I40-F56 HydrophobicContact CG1-CE2 4.2Å; I40-F56 HydrophobicContact CG1-CG 4.19Å; I40-F56 HydrophobicContact CG1-CZ 4.18Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 4.28Å; I40-F56 HydrophobicContact CG2-CD2 4.39Å; I40-F56 HydrophobicContact CG2-CG 3.9Å; I40-A60 HydrophobicContact CG2-CB 3.8Å; I40-M73 HydrophobicContact CD1-CE 3.97Å; I40-M73 HydrophobicContact CD1-SD 3.55Å; I40-M73 VanDerWaalsContact CD1-SD 3.55Å; I40-M73 HydrophobicContact CG2-SD 4Å; I40-Y86 HydrophobicContact CD1-CD1 3.79Å; I40-Y86 HydrophobicContact CD1-CE1 3.89Å
41G98.3Very high96.7Very high0 Ų058 Ų580%034%0.344CS..EExtended strand (participates in β ladder)trans170.4177.8-17000000112.2H27 W28 W39 K51H27-G41 CarbonylContact C-O 3.56Å; H27-G41 WeakPolarHBondContact CA-O 3.11Å; W28-G41 PolarHBondContact N-O 3.13Å; W39-G41 VanDerWaalsContact CE2-CA 3.5Å; W39-G41 PolarHBondContact NE1-O 2.91Å; W39-G41 VanDerWaalsContact NE1-O 3.1Å; G41-K51 CarbonylContact C-O 3.55Å; G41-K51 WeakPolarHBondContact CA-O 3.42Å
42Y98.4Very high96.7Very high20 Ų2057.5 Ų57.58%0.07834%0.34CS..EExtended strand (participates in β ladder)trans-138.8159.4166.569.1-108.5000111.3W25 M26 H27 W39 Y49 T50 K51W25-Y42 HydrophobicContact CB-CD2 4.2Å; W25-Y42 AromaticContact CD2-CD2 3.98Å; W25-Y42 HydrophobicContact CD2-CD2 3.98Å; W25-Y42 AromaticContact CD2-CE2 3.77Å; W25-Y42 HydrophobicContact CD2-CE2 3.77Å; W25-Y42 HydrophobicContact CE3-CD1 4.04Å; W25-Y42 AromaticContact CE3-CD2 3.78Å; W25-Y42 HydrophobicContact CE3-CD2 3.78Å; W25-Y42 AromaticContact CE3-CE1 3.8Å; W25-Y42 HydrophobicContact CE3-CE1 3.8Å; W25-Y42 AromaticContact CE3-CE2 3.48Å; W25-Y42 HydrophobicContact CE3-CE2 3.48Å; W25-Y42 VanDerWaalsContact CE3-CE2 3.48Å; W25-Y42 HydrophobicContact CE3-CG 4.09Å; W25-Y42 AromaticContact CE3-CZ 3.51Å; W25-Y42 HydrophobicContact CG-CD2 4.18Å; W25-Y42 HydrophobicContact CG-CE2 4.38Å; W25-Y42 HydrophobicContact CH2-CE2 4.31Å; W25-Y42 HydrophobicContact CZ3-CD1 4.43Å; W25-Y42 HydrophobicContact CZ3-CD2 4.49Å; W25-Y42 AromaticContact CZ3-CE1 3.74Å; W25-Y42 HydrophobicContact CZ3-CE1 3.74Å; W25-Y42 AromaticContact CZ3-CE2 3.78Å; W25-Y42 HydrophobicContact CZ3-CE2 3.78Å; W25-Y42 AromaticContact CZ3-CZ 3.37Å; W25-Y42 WeakPolarHBondContact CZ3-OH 3.19Å; M26-Y42 CarbonylContact O-C 3.53Å; M26-Y42 WeakPolarHBondContact O-CA 3.49Å; M26-Y42 WeakPolarHBondContact O-CB 3.4Å; H27-Y42 AromaticContact CE1-CD1 3.58Å; H27-Y42 AromaticContact CE1-CG 3.98Å; W39-Y42 HydrophobicContact CH2-CD1 4.27Å; W39-Y42 AromaticContact CZ2-CD1 3.51Å; W39-Y42 HydrophobicContact CZ2-CD1 3.51Å; W39-Y42 HydrophobicContact CZ2-CE1 4.18Å; W39-Y42 HydrophobicContact CZ2-CG 4.33Å; Y42-Y49 HydrophobicContact CE2-CD1 4.04Å; Y42-Y49 HydrophobicContact CE2-CE1 4.04Å; Y42-T50 VanDerWaalsContact O-CA 3.31Å; Y42-T50 WeakPolarHBondContact O-CA 3.15Å; Y42-K51 HydrophobicContact CD1-CB 4.22Å; Y42-K51 HydrophobicContact CE1-CB 3.67Å; Y42-K51 HydrophobicContact CE1-CD 3.77Å; Y42-K51 HydrophobicContact CE1-CG 4.29Å; Y42-K51 HydrophobicContact CE2-CB 4.09Å; Y42-K51 PolarHBondContact N-O 2.91Å; Y42-K51 PolarHBondContact O-N 3.21Å
43I98.5Very high96.8Very high4 Ų457.3 Ų57.32%0.02134%0.342CS..EExtended strand (participates in β ladder)trans-122.3137.3168.2-174.5165.5000109.9W25 M26 P45 Y49 T50 L62 T63 A64W25-I43 WeakPolarHBondContact CA-O 3.49Å; M26-I43 HydrophobicContact CB-CG2 4.11Å; M26-I43 PolarHBondContact N-O 2.68Å; M26-I43 PolarHBondContact O-N 2.96Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.18Å; I43-Y49 CarbonylContact C-O 3.53Å; I43-Y49 WeakPolarHBondContact CA-O 3.32Å; I43-T50 HydrophobicContact CB-CG2 3.93Å; I43-T50 HydrophobicContact CD1-CG2 3.94Å; I43-T50 HydrophobicContact CG1-CG2 3.8Å; I43-L62 HydrophobicContact CB-CB 4.13Å; I43-T63 VanDerWaalsContact CD1-C 3.5Å; I43-A64 HydrophobicContact CD1-CB 3.91Å
44N97.9Very high97Very high33 Ų3358.1 Ų58.118%0.17634%0.336CS..  trans-84.2109.9163-179.9-23.8000108.3W25 S46 S47 G48 Y49W25-N44 PolarHBondContact NE1-ND2 3.45Å; N44-S46 PolarHBondContact O-N 3.28Å; N44-S46 VanDerWaalsContact OD1-CB 3.27Å; N44-S46 WeakPolarHBondContact OD1-CB 3.38Å; N44-S46 PolarHBondContact OD1-N 2.92Å; N44-S47 PolarHBondContact ND2-OG 3.08Å; N44-S47 PolarHBondContact O-N 2.82Å; N44-S47 PolarHBondContact OD1-N 3.23Å; N44-G48 VanDerWaalsContact O-CA 3.32Å; N44-G48 WeakPolarHBondContact O-CA 3.41Å; N44-G48 PolarHBondContact O-N 2.85Å; N44-Y49 PolarHBondContact N-O 3.5Å
45P97.4Very high97.2Very high3 Ų360.9 Ų60.92%0.01932%0.321CS..THydrogen-bonded Turntrans-66.2-20.5-176.6-19.633.7000113.9F21 Y24 I43 A64 K66F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.37Å; F21-P45 HydrophobicContact CD2-CG 4.2Å; F21-P45 HydrophobicContact CE1-CB 3.45Å; F21-P45 VanDerWaalsContact CE1-CB 3.45Å; F21-P45 HydrophobicContact CE1-CG 3.95Å; F21-P45 HydrophobicContact CE2-CB 4.2Å; F21-P45 HydrophobicContact CE2-CG 3.74Å; F21-P45 HydrophobicContact CG-CB 4.39Å; F21-P45 HydrophobicContact CZ-CB 3.65Å; F21-P45 HydrophobicContact CZ-CG 3.6Å; Y24-P45 WeakPolarHBondContact O-CD 3.4Å; Y24-P45 WeakPolarHBondContact O-CG 3.15Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.18Å; P45-A64 HydrophobicContact CB-CB 3.93Å; P45-K66 WeakPolarHBondContact O-CE 3.14Å
46S97.1Very high97.3Very high62 Ų6256.9 Ų56.943%0.43430%0.302SS..THydrogen-bonded Turntrans-72.9-50176.5-174.50000112T22 N44 K66T22-S46 WeakPolarHBondContact O-CB 3.48Å; N44-S46 PolarHBondContact O-N 3.28Å; N44-S46 VanDerWaalsContact OD1-CB 3.27Å; N44-S46 WeakPolarHBondContact OD1-CB 3.38Å; N44-S46 PolarHBondContact OD1-N 2.92Å; S46-K66 VanDerWaalsContact O-CE 3.23Å; S46-K66 WeakPolarHBondContact O-CE 3.33Å; S46-K66 PolarHBondContact O-NZ 2.86Å
47S97.3Very high97.3Very high80 Ų8059.6 Ų59.656%0.55930%0.298SS*.THydrogen-bonded Turntrans-98.6-16-174.662.50000114.5N44 Y49N44-S47 PolarHBondContact ND2-OG 3.08Å; N44-S47 PolarHBondContact O-N 2.82Å; N44-S47 PolarHBondContact OD1-N 3.23Å; S47-Y49 PolarHBondContact O-N 2.71Å; S47-Y49 WeakPolarHBondContact OG-CB 3.29Å; S47-Y49 PolarHBondContact OG-N 2.9Å
48G97Very high97.2Very high43 Ų4362 Ų6244%0.44331%0.311SS..  trans73.43.9-169.300000113.7N44 T50N44-G48 VanDerWaalsContact O-CA 3.32Å; N44-G48 WeakPolarHBondContact O-CA 3.41Å; N44-G48 PolarHBondContact O-N 2.85Å; G48-T50 PolarHBondContact O-N 2.78Å
49Y97.9Very high97.2Very high131 Ų13161.9 Ų61.951%0.51431%0.31SS..  trans-61.4132.1177176.6-94.3000110.4Y42 I43 N44 S47 K51Y42-Y49 HydrophobicContact CE2-CD1 4.04Å; Y42-Y49 HydrophobicContact CE2-CE1 4.04Å; I43-Y49 CarbonylContact C-O 3.53Å; I43-Y49 WeakPolarHBondContact CA-O 3.32Å; N44-Y49 PolarHBondContact N-O 3.5Å; S47-Y49 PolarHBondContact O-N 2.71Å; S47-Y49 WeakPolarHBondContact OG-CB 3.29Å; S47-Y49 PolarHBondContact OG-N 2.9Å; Y49-K51 HydrophobicContact CE1-CB 4.28Å
50T98.3Very high97.2Very high44 Ų4458.6 Ų58.627%0.2730%0.298SS..EExtended strand (participates in β ladder)trans-121.9145179.751.60000111.2Y42 I43 G48 Y52 L62Y42-T50 VanDerWaalsContact O-CA 3.31Å; Y42-T50 WeakPolarHBondContact O-CA 3.15Å; I43-T50 HydrophobicContact CB-CG2 3.93Å; I43-T50 HydrophobicContact CD1-CG2 3.94Å; I43-T50 HydrophobicContact CG1-CG2 3.8Å; G48-T50 PolarHBondContact O-N 2.78Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.39Å; T50-L62 HydrophobicContact CG2-CB 3.92Å
51K98.1Very high97.2Very high106 Ų10661.9 Ų61.946%0.46132%0.319SS..EExtended strand (participates in β ladder)trans-129.7137.9168.6-170.3-179.2179.5178.50108.4W39 G41 Y42 Y49W39-K51 HydrophobicContact CH2-CB 4.43Å; W39-K51 HydrophobicContact CH2-CD 4.32Å; W39-K51 HydrophobicContact CH2-CG 4.13Å; G41-K51 CarbonylContact C-O 3.55Å; G41-K51 WeakPolarHBondContact CA-O 3.42Å; Y42-K51 HydrophobicContact CD1-CB 4.22Å; Y42-K51 HydrophobicContact CE1-CB 3.67Å; Y42-K51 HydrophobicContact CE1-CD 3.77Å; Y42-K51 HydrophobicContact CE1-CG 4.29Å; Y42-K51 HydrophobicContact CE2-CB 4.09Å; Y42-K51 PolarHBondContact N-O 2.91Å; Y42-K51 PolarHBondContact O-N 3.21Å; Y49-K51 HydrophobicContact CE1-CB 4.28Å
52Y98.3Very high97.2Very high55 Ų5562.3 Ų62.322%0.21632%0.321CS..EExtended strand (participates in β ladder)trans-120150.7-177.7-63.2-89.9000110.8T50 A60 L62T50-Y52 WeakPolarHBondContact OG1-CE2 3.39Å; Y52-A60 HydrophobicContact CE1-CB 4.42Å; Y52-A60 WeakPolarHBondContact CE1-O 3.45Å; Y52-L62 HydrophobicContact CE1-CD1 4Å; Y52-L62 HydrophobicContact CE1-CD2 4.47Å; Y52-L62 HydrophobicContact CE1-CG 3.64Å; Y52-L62 PolarHBondContact OH-N 2.77Å
53N97.6Very high97.2Very high48 Ų4864.2 Ų64.226%0.25733%0.334SS..  trans-71.5136.5154.6180-22.4000108.5W39 I40 K55 F56 K57W39-N53 HydrophobicContact CE3-CB 3.87Å; W39-N53 HydrophobicContact CZ3-CB 4Å; W39-N53 WeakPolarHBondContact O-CB 3.22Å; W39-N53 PolarHBondContact O-ND2 3Å; I40-N53 PolarHBondContact O-N 3.46Å; N53-K55 PolarHBondContact O-N 3.34Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 3.06Å; N53-F56 HydrophobicContact CB-CD2 4.08Å; N53-F56 PolarHBondContact O-N 2.83Å; N53-K57 PolarHBondContact O-N 2.84Å
54Q96.1Very high97.2Very high138 Ų13865.6 Ų65.665%0.64535%0.347SS*.G310 helixtrans-54.4-33.2-175.5-17060.827.300112.9F56Q54-F56 PolarHBondContact O-N 2.91Å
55K94.4Very high97.2Very high151 Ų15166.7 Ų66.766%0.65735%0.352SS*.G310 helixtrans-60.4-27.2176.8-67.4-174.1-178.8-177.80114.1E38 N53E38-K55 IonicContact OE1-NZ 3.46Å; E38-K55 PolarHBondContact OE1-NZ 2.68Å; N53-K55 PolarHBondContact O-N 3.34Å; N53-K55 VanDerWaalsContact O-N 3.08Å; N53-K55 PolarHBondContact OD1-N 3.06Å
56F96.3Very high97.1Very high13 Ų1372.3 Ų72.36%0.05738%0.377CS..G310 helixtrans-113.7-1.6-172-61.1-83.7000113.5K30 E38 I40 N53 Q54 D58 K59 A60K30-F56 HydrophobicContact CD-CE1 3.99Å; K30-F56 HydrophobicContact CD-CZ 4.11Å; E38-F56 HydrophobicContact CB-CE2 4.45Å; E38-F56 HydrophobicContact CB-CZ 4.36Å; I40-F56 HydrophobicContact CB-CD2 4.3Å; I40-F56 HydrophobicContact CB-CG 4.27Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.21Å; I40-F56 HydrophobicContact CG1-CE1 4.17Å; I40-F56 HydrophobicContact CG1-CE2 4.2Å; I40-F56 HydrophobicContact CG1-CG 4.19Å; I40-F56 HydrophobicContact CG1-CZ 4.18Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 4.28Å; I40-F56 HydrophobicContact CG2-CD2 4.39Å; I40-F56 HydrophobicContact CG2-CG 3.9Å; N53-F56 HydrophobicContact CB-CD2 4.08Å; N53-F56 PolarHBondContact O-N 2.83Å; Q54-F56 PolarHBondContact O-N 2.91Å; F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 2.77Å; F56-K59 PolarHBondContact O-N 2.89Å; F56-A60 HydrophobicContact CB-CB 4.4Å; F56-A60 PolarHBondContact O-N 3.29Å
57K94.4Very high97Very high115 Ų11574.6 Ų74.650%0.539%0.392SS..THydrogen-bonded Turntrans-57.1-38-173.4-170.9179.7-179.8-175.70113.3N53N53-K57 PolarHBondContact O-N 2.84Å
58D94.8Very high97Very high145 Ų14572.5 Ų72.578%0.77538%0.378SS*.THydrogen-bonded Turntrans-95.6-1.3180-53.6-40.4000112.7F56F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 2.77Å
59K96.4Very high97Very high37 Ų3772.3 Ų72.316%0.16137%0.37CS..THydrogen-bonded Turntrans-107.3-35.6-172.9-172.666.9176.4-168.20113.1F56 L75 S76 S77 D82F56-K59 PolarHBondContact O-N 2.89Å; K59-L75 HydrophobicContact CG-CD2 4.27Å; K59-L75 WeakPolarHBondContact O-CA 3.44Å; K59-S76 VanDerWaalsContact CD-O 3.25Å; K59-S76 WeakPolarHBondContact CD-O 3.19Å; K59-S76 WeakPolarHBondContact CE-O 3.38Å; K59-S76 PolarHBondContact NZ-O 2.85Å; K59-S76 PolarHBondContact O-N 3.22Å; K59-S76 VanDerWaalsContact O-N 3.1Å; K59-S76 PolarHBondContact O-OG 3.03Å; K59-S77 VanDerWaalsContact NZ-C 3.34Å; K59-S77 PolarHBondContact NZ-O 3.16Å; K59-D82 WeakPolarHBondContact CE-OD2 3.37Å; K59-D82 IonicContact NZ-OD1 3.98Å; K59-D82 IonicContact NZ-OD2 2.68Å; K59-D82 PolarHBondContact NZ-OD2 2.87Å
60A97.9Very high97Very high2 Ų266.5 Ų66.52%0.01735%0.348CS..EExtended strand (participates in β ladder)trans-117.7135.3-172.700000110.9I40 Y52 F56 M73 Q74 L75I40-A60 HydrophobicContact CG2-CB 3.8Å; Y52-A60 HydrophobicContact CE1-CB 4.42Å; Y52-A60 WeakPolarHBondContact CE1-O 3.45Å; F56-A60 HydrophobicContact CB-CB 4.4Å; F56-A60 PolarHBondContact O-N 3.29Å; A60-M73 HydrophobicContact CB-CG 4.25Å; A60-M73 HydrophobicContact CB-SD 4.27Å; A60-Q74 CarbonylContact C-O 3.59Å; A60-Q74 WeakPolarHBondContact CA-O 2.99Å; A60-L75 HydrophobicContact CB-CD2 3.98Å
61T98.4Very high97Very high70 Ų7064.4 Ų64.443%0.42934%0.335SS..EExtended strand (participates in β ladder)trans-116.6118.9169.6-58.70000108.9T63 M73 Q74T61-T63 HydrophobicContact CG2-CG2 4.39Å; T61-M73 WeakPolarHBondContact O-CA 3.43Å; T61-Q74 PolarHBondContact N-O 2.92Å; T61-Q74 PolarHBondContact O-N 3.25Å
62L98.6Very high97Very high8 Ų861.8 Ų61.84%0.04232%0.323CS..EExtended strand (participates in β ladder)trans-96.4132.7178.7-50-176.9000110.5W28 I43 T50 Y52 Y72 M73W28-L62 HydrophobicContact CG-CD2 4.05Å; I43-L62 HydrophobicContact CB-CB 4.13Å; T50-L62 HydrophobicContact CG2-CB 3.92Å; Y52-L62 HydrophobicContact CE1-CD1 4Å; Y52-L62 HydrophobicContact CE1-CD2 4.47Å; Y52-L62 HydrophobicContact CE1-CG 3.64Å; Y52-L62 PolarHBondContact OH-N 2.77Å; L62-Y72 WeakPolarHBondContact CA-O 3.38Å; L62-M73 HydrophobicContact CD2-CB 3.73Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.17Å
63T98.4Very high97Very high60 Ų6059.2 Ų59.237%0.36831%0.312SS..EExtended strand (participates in β ladder)trans-137.8162.3175.656.20000110.5I43 T61 Y72I43-T63 VanDerWaalsContact CD1-C 3.5Å; T61-T63 HydrophobicContact CG2-CG2 4.39Å; T63-Y72 PolarHBondContact N-O 3.28Å; T63-Y72 PolarHBondContact O-N 3.22Å
64A98.1Very high97Very high34 Ų3461 Ų6128%0.28132%0.319SS..EExtended strand (participates in β ladder)trans-141.1137176.600000110.3F21 I43 P45 T70F21-A64 HydrophobicContact CE1-CB 4.14Å; F21-A64 HydrophobicContact CZ-CB 4.13Å; I43-A64 HydrophobicContact CD1-CB 3.91Å; P45-A64 HydrophobicContact CB-CB 3.93Å; A64-T70 WeakPolarHBondContact CA-O 3.41Å
65D97.5Very high97.1Very high55 Ų5554.5 Ų54.529%0.29429%0.289SS..EExtended strand (participates in β ladder)trans-107.3113.5170.4175.210.3000109.2S67 S68 S69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.34Å; D65-S67 VanDerWaalsContact CG-OG 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.48Å; D65-S67 PolarHBondContact OD1-N 2.86Å; D65-S67 PolarHBondContact OD1-OG 2.94Å; D65-S67 PolarHBondContact OD2-OG 2.89Å; D65-S68 WeakPolarHBondContact CB-OG 3Å; D65-S68 WeakPolarHBondContact OD2-CB 2.97Å; D65-S68 PolarHBondContact OD2-OG 3.49Å; D65-S69 WeakPolarHBondContact O-CA 3.45Å; D65-S69 PolarHBondContact O-N 2.89Å; D65-S69 VanDerWaalsContact O-N 3.11Å; D65-T70 PolarHBondContact N-O 3.23Å; D65-T70 PolarHBondContact O-N 2.92Å; D65-Y72 HydrophobicContact CB-CE2 3.96Å
66K95.9Very high97.3Very high122 Ų12248.8 Ų48.853%0.5327%0.268SS..THydrogen-bonded Turntrans-68.4-35-179.1-62.2175.1179.1175.80111.7T22 P45 S46 S69T22-K66 HydrophobicContact CG2-CD 4.34Å; T22-K66 HydrophobicContact CG2-CG 4.03Å; P45-K66 WeakPolarHBondContact O-CE 3.14Å; S46-K66 VanDerWaalsContact O-CE 3.23Å; S46-K66 WeakPolarHBondContact O-CE 3.33Å; S46-K66 PolarHBondContact O-NZ 2.86Å; K66-S69 PolarHBondContact O-N 2.89Å
67S95.3Very high97.3Very high109 Ų10952.1 Ų52.176%0.76229%0.293SS*.THydrogen-bonded Turntrans-68.5-41.2-174.570.40000111.8D65D65-S67 VanDerWaalsContact C-N 3.34Å; D65-S67 VanDerWaalsContact CG-OG 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.48Å; D65-S67 PolarHBondContact OD1-N 2.86Å; D65-S67 PolarHBondContact OD1-OG 2.94Å; D65-S67 PolarHBondContact OD2-OG 2.89Å
68S96.9Very high97.4Very high37 Ų3746.8 Ų46.826%0.25927%0.27SS..THydrogen-bonded Turntrans-92.9-0.5177.565.40000113.6D65 T70D65-S68 WeakPolarHBondContact CB-OG 3Å; D65-S68 WeakPolarHBondContact OD2-CB 2.97Å; D65-S68 PolarHBondContact OD2-OG 3.49Å; S68-T70 PolarHBondContact O-N 3.13Å; S68-T70 PolarHBondContact O-OG1 3.33Å; S68-T70 WeakPolarHBondContact OG-CB 3.19Å; S68-T70 PolarHBondContact OG-OG1 3.1Å
69S97.2Very high97.5Very high39 Ų3942.8 Ų42.827%0.27325%0.251SS..THydrogen-bonded Turntrans51.242.7-173.3-64.90000112.8A16 F21 D65 K66A16-S69 WeakPolarHBondContact CB-O 3.38Å; A16-S69 PolarHBondContact N-O 3.05Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; D65-S69 WeakPolarHBondContact O-CA 3.45Å; D65-S69 PolarHBondContact O-N 2.89Å; D65-S69 VanDerWaalsContact O-N 3.11Å; K66-S69 PolarHBondContact O-N 2.89Å
70T98.1Very high97.5Very high9 Ų947.6 Ų47.66%0.05527%0.269CS..EExtended strand (participates in β ladder)trans-122.3127.2-173.2-56.10000111C14 A64 D65 S68 Y72C14-T70 WeakPolarHBondContact O-CA 3.49Å; A64-T70 WeakPolarHBondContact CA-O 3.41Å; D65-T70 PolarHBondContact N-O 3.23Å; D65-T70 PolarHBondContact O-N 2.92Å; S68-T70 PolarHBondContact O-N 3.13Å; S68-T70 PolarHBondContact O-OG1 3.33Å; S68-T70 WeakPolarHBondContact OG-CB 3.19Å; S68-T70 PolarHBondContact OG-OG1 3.1Å; T70-Y72 HydrophobicContact CG2-CD1 4.18Å; T70-Y72 HydrophobicContact CG2-CD2 4.38Å; T70-Y72 HydrophobicContact CG2-CE1 3.59Å; T70-Y72 HydrophobicContact CG2-CE2 3.79Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.31Å
71A98.1Very high97.3Very high0 Ų053.9 Ų53.90%030%0.298CS..EExtended strand (participates in β ladder)trans-91.2148.616700000109.8S13 C14 F21 M26 W28S13-A71 CarbonylContact C-O 3.57Å; S13-A71 WeakPolarHBondContact CA-O 3.43Å; C14-A71 PolarHBondContact N-O 2.98Å; C14-A71 PolarHBondContact O-N 2.97Å; F21-A71 HydrophobicContact CE2-CB 4.28Å; F21-A71 HydrophobicContact CZ-CB 3.98Å; M26-A71 HydrophobicContact CB-CB 4.04Å; M26-A71 HydrophobicContact CG-CB 3.61Å; W28-A71 HydrophobicContact CZ2-CB 4.39Å
72Y98.4Very high97.2Very high51 Ų5151 Ų5120%0.228%0.28CS..EExtended strand (participates in β ladder)trans-130.8147.5176.1-54-88.5000111.2K11 L12 S13 L62 T63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.32Å; K11-Y72 VanDerWaalsContact CE-CB 3.45Å; K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å; L12-Y72 CarbonylContact O-C 3.54Å; L12-Y72 WeakPolarHBondContact O-CA 3.46Å; L12-Y72 WeakPolarHBondContact O-CB 3.48Å; S13-Y72 VanDerWaalsContact CB-CD1 3.46Å; S13-Y72 VanDerWaalsContact CB-CE1 3.44Å; L62-Y72 WeakPolarHBondContact CA-O 3.38Å; T63-Y72 PolarHBondContact N-O 3.28Å; T63-Y72 PolarHBondContact O-N 3.22Å; D65-Y72 HydrophobicContact CB-CE2 3.96Å; T70-Y72 HydrophobicContact CG2-CD1 4.18Å; T70-Y72 HydrophobicContact CG2-CD2 4.38Å; T70-Y72 HydrophobicContact CG2-CE1 3.59Å; T70-Y72 HydrophobicContact CG2-CE2 3.79Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.31Å
73M98.4Very high97.2Very high0 Ų052.3 Ų52.30%029%0.29CS..EExtended strand (participates in β ladder)trans-124.1121.5166.7176.2179.270.100108.4L12 W28 I40 A60 T61 L62 L75 Y86L12-M73 HydrophobicContact CD1-CE 3.75Å; L12-M73 HydrophobicContact CG-CE 4.5Å; L12-M73 PolarHBondContact N-O 2.81Å; L12-M73 PolarHBondContact O-N 2.93Å; W28-M73 HydrophobicContact CB-SD 3.94Å; W28-M73 HydrophobicContact CD2-CB 3.6Å; W28-M73 HydrophobicContact CD2-CE 4.35Å; W28-M73 HydrophobicContact CD2-CG 4.43Å; W28-M73 HydrophobicContact CD2-SD 4.11Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-CE 3.78Å; W28-M73 HydrophobicContact CE3-SD 4.14Å; W28-M73 HydrophobicContact CG-CB 4.09Å; W28-M73 HydrophobicContact CG-SD 4.04Å; W28-M73 HydrophobicContact CH2-CB 4.12Å; W28-M73 HydrophobicContact CZ2-CB 3.86Å; W28-M73 HydrophobicContact CZ3-CB 4.13Å; W28-M73 HydrophobicContact CZ3-CE 4.26Å; I40-M73 HydrophobicContact CD1-CE 3.97Å; I40-M73 HydrophobicContact CD1-SD 3.55Å; I40-M73 VanDerWaalsContact CD1-SD 3.55Å; I40-M73 HydrophobicContact CG2-SD 4Å; A60-M73 HydrophobicContact CB-CG 4.25Å; A60-M73 HydrophobicContact CB-SD 4.27Å; T61-M73 WeakPolarHBondContact O-CA 3.43Å; L62-M73 HydrophobicContact CD2-CB 3.73Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.17Å; M73-L75 HydrophobicContact CE-CD1 3.87Å; M73-L75 HydrophobicContact CE-CD2 4.18Å; M73-L75 HydrophobicContact CE-CG 3.95Å; M73-L75 HydrophobicContact CG-CD2 4.43Å; M73-L75 HydrophobicContact CG-CG 4.4Å; M73-L75 HydrophobicContact SD-CD2 4.11Å; M73-L75 HydrophobicContact SD-CG 4.4Å; M73-Y86 HydrophobicContact CE-CD1 3.55Å; M73-Y86 HydrophobicContact CE-CE1 4.1Å; M73-Y86 HydrophobicContact CE-CG 4.12Å
74Q98.3Very high97.1Very high86 Ų8649.8 Ų49.840%0.40228%0.275SS..EExtended strand (participates in β ladder)trans-97123.9169.6-176.7173.7-6.500109.2V10 A60 T61V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 3.31Å; A60-Q74 CarbonylContact C-O 3.59Å; A60-Q74 WeakPolarHBondContact CA-O 2.99Å; T61-Q74 PolarHBondContact N-O 2.92Å; T61-Q74 PolarHBondContact O-N 3.25Å
75L97.9Very high97.2Very high1 Ų149.7 Ų49.71%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-102129.4171-66168.6000108.6S9 V10 K59 A60 M73 L78 Y86 L102S9-L75 CarbonylContact C-O 3.51Å; S9-L75 WeakPolarHBondContact CA-O 3.31Å; S9-L75 WeakPolarHBondContact CB-O 3.38Å; V10-L75 HydrophobicContact CG1-CB 4.12Å; V10-L75 HydrophobicContact CG1-CD1 4.39Å; V10-L75 PolarHBondContact N-O 3.37Å; V10-L75 PolarHBondContact O-N 2.68Å; K59-L75 HydrophobicContact CG-CD2 4.27Å; K59-L75 WeakPolarHBondContact O-CA 3.44Å; A60-L75 HydrophobicContact CB-CD2 3.98Å; M73-L75 HydrophobicContact CE-CD1 3.87Å; M73-L75 HydrophobicContact CE-CD2 4.18Å; M73-L75 HydrophobicContact CE-CG 3.95Å; M73-L75 HydrophobicContact CG-CD2 4.43Å; M73-L75 HydrophobicContact CG-CG 4.4Å; M73-L75 HydrophobicContact SD-CD2 4.11Å; M73-L75 HydrophobicContact SD-CG 4.4Å; L75-L78 HydrophobicContact CB-CD2 3.81Å; L75-L78 HydrophobicContact CD1-CD2 4.41Å; L75-Y86 HydrophobicContact CD1-CD1 4.27Å; L75-Y86 HydrophobicContact CD1-CE1 3.66Å; L75-Y86 HydrophobicContact CD1-CE2 4.14Å; L75-L102 HydrophobicContact CD1-CD2 4.01Å
76S97.1Very high97.2Very high32 Ų3247.2 Ų47.222%0.22426%0.257CS..  trans-109158-178.537.80000112.5S9 K59 L78S9-S76 WeakPolarHBondContact OG-CA 3.17Å; K59-S76 VanDerWaalsContact CD-O 3.25Å; K59-S76 WeakPolarHBondContact CD-O 3.19Å; K59-S76 WeakPolarHBondContact CE-O 3.38Å; K59-S76 PolarHBondContact NZ-O 2.85Å; K59-S76 PolarHBondContact O-N 3.22Å; K59-S76 VanDerWaalsContact O-N 3.1Å; K59-S76 PolarHBondContact O-OG 3.03Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.02Å
77S96.6Very high97.3Very high82 Ų8243.5 Ų43.557%0.57324%0.241SC*.SBendtrans49.550.2174.4-55.10000113A8 K59A8-S77 PolarHBondContact O-N 2.88Å; K59-S77 VanDerWaalsContact NZ-C 3.34Å; K59-S77 PolarHBondContact NZ-O 3.16Å
78L97.3Very high97.4Very high3 Ų339 Ų392%0.01621%0.208CC..  trans-55.4140.9-170.8-72172.3000112.8A4 P6 G7 A8 V10 L75 S76 D82 L102 V104A4-L78 HydrophobicContact CB-CD1 3.48Å; A4-L78 VanDerWaalsContact CB-CD1 3.48Å; P6-L78 CarbonylContact C-O 3.42Å; P6-L78 WeakPolarHBondContact CA-O 3.39Å; G7-L78 PolarHBondContact N-O 2.98Å; A8-L78 WeakPolarHBondContact O-CB 3.42Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.26Å; A8-L78 PolarHBondContact O-N 2.79Å; V10-L78 HydrophobicContact CB-CD1 4.13Å; V10-L78 HydrophobicContact CG1-CD1 3.9Å; V10-L78 HydrophobicContact CG1-CD2 4.4Å; L75-L78 HydrophobicContact CB-CD2 3.81Å; L75-L78 HydrophobicContact CD1-CD2 4.41Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.02Å; L78-D82 WeakPolarHBondContact CA-OD2 3.5Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; L78-L102 HydrophobicContact CD1-CD2 4.39Å; L78-L102 HydrophobicContact CD2-CD2 3.91Å; L78-V104 HydrophobicContact CB-CG1 4.27Å; L78-V104 HydrophobicContact CB-CG2 4.08Å; L78-V104 HydrophobicContact CD1-CG2 4.27Å; L78-V104 HydrophobicContact CD2-CG2 4.45Å
79T96.8Very high97.5Very high62 Ų6237.2 Ų37.238%0.3820%0.197SC..  trans-120167.2172.571.40000109.8E81 D82 V104T79-E81 PolarHBondContact O-N 2.81Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-E81 PolarHBondContact OG1-N 3.42Å; T79-D82 PolarHBondContact N-OD2 2.84Å; T79-D82 WeakPolarHBondContact O-CB 3.49Å; T79-D82 PolarHBondContact O-N 2.87Å; T79-D82 PolarHBondContact OG1-OD2 3.03Å; T79-V104 WeakPolarHBondContact O-CB 2.94Å; T79-V104 WeakPolarHBondContact O-CG2 3.43Å
80Y96.4Very high97.4Very high137 Ų13736.9 Ų36.954%0.53719%0.189SC..G310 helixtrans-54.4-32.2175.8-62.1-70.3000112.7P6 D82 S83 V104P6-Y80 HydrophobicContact CG-CD1 4.41Å; P6-Y80 HydrophobicContact CG-CE1 3.72Å; P6-Y80 HydrophobicContact CG-CE2 4.09Å; Y80-D82 PolarHBondContact O-N 2.93Å; Y80-S83 VanDerWaalsContact O-CB 3.3Å; Y80-S83 WeakPolarHBondContact O-CB 3.48Å; Y80-S83 PolarHBondContact O-N 3.4Å; Y80-S83 VanDerWaalsContact O-N 3.12Å; Y80-S83 PolarHBondContact O-OG 3.04Å; Y80-V104 WeakPolarHBondContact CD1-O 3.23Å
81E94.1Very high97Very high134 Ų13440.9 Ų40.963%0.62620%0.203SC*.G310 helixtrans-69.9-11.6178.1-61.6-168.8-17600114.6K30 R32 T79 S83K30-E81 WeakPolarHBondContact CE-O 3.34Å; K30-E81 PolarHBondContact NZ-O 2.94Å; R32-E81 PolarHBondContact NE-O 2.84Å; R32-E81 PolarHBondContact NH2-O 2.82Å; R32-E81 IonicContact NH2-OE2 3.36Å; T79-E81 PolarHBondContact O-N 2.81Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-E81 PolarHBondContact OG1-N 3.42Å; E81-S83 VanDerWaalsContact C-N 3.26Å
82D96.3Very high96.7Very high10 Ų1046.9 Ų46.95%0.05324%0.235CC..G310 helixtrans-81.4-7.5172.8-63.7-45.5000112.7K30 K59 L78 T79 Y80 A84 Y86 V104K30-D82 IonicContact NZ-OD1 3.5Å; K30-D82 PolarHBondContact NZ-OD1 2.92Å; K59-D82 WeakPolarHBondContact CE-OD2 3.37Å; K59-D82 IonicContact NZ-OD1 3.98Å; K59-D82 IonicContact NZ-OD2 2.68Å; K59-D82 PolarHBondContact NZ-OD2 2.87Å; L78-D82 WeakPolarHBondContact CA-OD2 3.5Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; T79-D82 PolarHBondContact N-OD2 2.84Å; T79-D82 WeakPolarHBondContact O-CB 3.49Å; T79-D82 PolarHBondContact O-N 2.87Å; T79-D82 PolarHBondContact OG1-OD2 3.03Å; Y80-D82 PolarHBondContact O-N 2.93Å; D82-A84 PolarHBondContact O-N 3.46Å; D82-A84 VanDerWaalsContact O-N 3.16Å; D82-Y86 VanDerWaalsContact O-CE2 3.29Å; D82-Y86 WeakPolarHBondContact O-CE2 3.43Å; D82-Y86 PolarHBondContact O-OH 2.91Å; D82-V104 HydrophobicContact CB-CG2 4.19Å
83S97.6Very high96.5Very high36 Ų3648.2 Ų48.225%0.25224%0.242SC..  trans-63.9114.4171.4-56.20000110.3Y80 E81 L102 V104Y80-S83 VanDerWaalsContact O-CB 3.3Å; Y80-S83 WeakPolarHBondContact O-CB 3.48Å; Y80-S83 PolarHBondContact O-N 3.4Å; Y80-S83 VanDerWaalsContact O-N 3.12Å; Y80-S83 PolarHBondContact O-OG 3.04Å; E81-S83 VanDerWaalsContact C-N 3.26Å; S83-L102 CarbonylContact C-O 3.39Å; S83-L102 VanDerWaalsContact CA-O 3.25Å; S83-L102 WeakPolarHBondContact CA-O 3.46Å; S83-V104 PolarHBondContact OG-N 2.87Å
84A97.9Very high96.1Very high6 Ų651.9 Ų51.95%0.0526%0.262CS..EExtended strand (participates in β ladder)trans-170.2170.9-171.800000110.5K30 Q31 R32 D82 Y86 L102K30-A84 HydrophobicContact CD-CB 4.27Å; K30-A84 HydrophobicContact CG-CB 3.61Å; Q31-A84 WeakPolarHBondContact O-CA 3.06Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.25Å; R32-A84 HydrophobicContact CG-CB 4.19Å; D82-A84 PolarHBondContact O-N 3.46Å; D82-A84 VanDerWaalsContact O-N 3.16Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.78Å; A84-L102 PolarHBondContact N-O 2.75Å; A84-L102 PolarHBondContact O-N 3.21Å
85V98.3Very high95.9Very high33 Ų3355 Ų5520%0.227%0.271CS..EExtended strand (participates in β ladder)trans-92129.9161.3-170.40000108.5Q31 Y87Q31-V85 PolarHBondContact N-O 3.36Å; Q31-V85 PolarHBondContact O-N 2.85Å; V85-Y87 HydrophobicContact CB-CE2 3.81Å; V85-Y87 HydrophobicContact CG1-CD1 4.44Å; V85-Y87 HydrophobicContact CG1-CD2 4.26Å; V85-Y87 HydrophobicContact CG1-CE1 3.79Å; V85-Y87 HydrophobicContact CG1-CE2 3.59Å; V85-Y87 WeakPolarHBondContact CG1-OH 2.92Å
86Y98.4Very high95.8Very high2 Ų259.8 Ų59.81%0.00829%0.289CS..EExtended strand (participates in β ladder)trans-108.8124.9177.8-68.7-89.6000109.8L12 V29 K30 I40 M73 L75 D82 A84 G99 T100 L102L12-Y86 HydrophobicContact CD1-CD1 4.42Å; L12-Y86 HydrophobicContact CD1-CD2 3.95Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 2.96Å; K30-Y86 HydrophobicContact CB-CD1 4.11Å; K30-Y86 HydrophobicContact CB-CE1 3.86Å; K30-Y86 HydrophobicContact CD-CE1 3.91Å; K30-Y86 WeakPolarHBondContact CE-OH 3.33Å; K30-Y86 HydrophobicContact CG-CD1 4.29Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å; I40-Y86 HydrophobicContact CD1-CD1 3.79Å; I40-Y86 HydrophobicContact CD1-CE1 3.89Å; M73-Y86 HydrophobicContact CE-CD1 3.55Å; M73-Y86 HydrophobicContact CE-CE1 4.1Å; M73-Y86 HydrophobicContact CE-CG 4.12Å; L75-Y86 HydrophobicContact CD1-CD1 4.27Å; L75-Y86 HydrophobicContact CD1-CE1 3.66Å; L75-Y86 HydrophobicContact CD1-CE2 4.14Å; D82-Y86 VanDerWaalsContact O-CE2 3.29Å; D82-Y86 WeakPolarHBondContact O-CE2 3.43Å; D82-Y86 PolarHBondContact O-OH 2.91Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.78Å; Y86-G99 CarbonylContact O-C 3.59Å; Y86-G99 VanDerWaalsContact O-CA 3.28Å; Y86-G99 WeakPolarHBondContact O-CA 3.46Å; Y86-T100 PolarHBondContact N-O 3.29Å; Y86-T100 PolarHBondContact O-N 3.36Å; Y86-L102 HydrophobicContact CD2-CB 3.88Å; Y86-L102 HydrophobicContact CD2-CD2 4.41Å; Y86-L102 HydrophobicContact CE2-CB 3.74Å; Y86-L102 HydrophobicContact CE2-CD2 3.72Å; Y86-L102 HydrophobicContact CE2-CG 4.32Å
87Y98.3Very high95.7Very high45 Ų4559.5 Ų59.518%0.17629%0.291CS..EExtended strand (participates in β ladder)trans-111148.9179.8-56.6-88.5000110.4W28 V29 Q31 V85 W96W28-Y87 WeakPolarHBondContact CA-O 3.4Å; V29-Y87 PolarHBondContact N-O 2.98Å; V29-Y87 PolarHBondContact O-N 3.12Å; Q31-Y87 HydrophobicContact CB-CD2 4.38Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.32Å; Q31-Y87 PolarHBondContact OE1-OH 2.87Å; V85-Y87 HydrophobicContact CB-CE2 3.81Å; V85-Y87 HydrophobicContact CG1-CD1 4.44Å; V85-Y87 HydrophobicContact CG1-CD2 4.26Å; V85-Y87 HydrophobicContact CG1-CE1 3.79Å; V85-Y87 HydrophobicContact CG1-CE2 3.59Å; V85-Y87 WeakPolarHBondContact CG1-OH 2.92Å; Y87-W96 HydrophobicContact CG-CE3 4.18Å; Y87-W96 HydrophobicContact CG-CZ3 4.39Å
88C97.6Very high95.7Very high13 Ų1364.6 Ų64.69%0.08831%0.306CS..EExtended strand (participates in β ladder)trans-103.3148.3158.960.70000109.5C14 M26 H27 W28 G97C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.27Å; C14-C88 WeakPolarHBondContact SG-CB 3.49Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.36Å; M26-C88 HydrophobicContact CG-CB 4.34Å; M26-C88 HydrophobicContact SD-CB 3.74Å; H27-C88 CarbonylContact O-C 3.51Å; H27-C88 WeakPolarHBondContact O-CA 3.39Å; W28-C88 HydrophobicContact CE3-CB 4.41Å; W28-C88 HydrophobicContact CH2-CB 4.49Å; W28-C88 HydrophobicContact CZ3-CB 4.4Å; C88-G97 PolarHBondContact O-N 3.36Å
89A97.6Very high95.6Very high1 Ų165.7 Ų65.71%0.00832%0.318CS..EExtended strand (participates in β ladder)trans-141.2146.6176.300000111.1M26 H27 F93 Y95 W96M26-A89 VanDerWaalsContact SD-O 3.32Å; H27-A89 HydrophobicContact CB-CB 4.36Å; H27-A89 WeakPolarHBondContact CB-O 3.4Å; H27-A89 PolarHBondContact N-O 2.87Å; H27-A89 PolarHBondContact O-N 3.12Å; A89-F93 HydrophobicContact CB-CD1 3.58Å; A89-F93 HydrophobicContact CB-CE1 4.22Å; A89-F93 HydrophobicContact CB-CG 4.47Å; A89-Y95 CarbonylContact C-O 3.57Å; A89-Y95 WeakPolarHBondContact CA-O 3.37Å; A89-W96 HydrophobicContact CB-CD2 3.78Å; A89-W96 HydrophobicContact CB-CE3 3.95Å; A89-W96 HydrophobicContact CB-CG 4.24Å; A89-W96 HydrophobicContact CB-CH2 4.39Å; A89-W96 HydrophobicContact CB-CZ2 4.25Å; A89-W96 HydrophobicContact CB-CZ3 4.25Å
90R95.2Very high95.6Very high32 Ų3264.7 Ų64.712%0.12131%0.312CS..EExtended strand (participates in β ladder)trans-88.2138.6-179.7-173.4-179.976173.610.8110.6Y19 Y24 D92 F93 D94 Y95Y19-R90 HydrophobicContact CE2-CG 4.37Å; Y24-R90 HydrophobicContact CD1-CG 4.31Å; Y24-R90 HydrophobicContact CG-CG 3.97Å; R90-D92 PolarHBondContact O-N 2.79Å; R90-F93 WeakPolarHBondContact O-CA 3.32Å; R90-F93 PolarHBondContact O-N 3.47Å; R90-D94 IonicContact CZ-OD1 3.98Å; R90-D94 IonicContact CZ-OD2 3.43Å; R90-D94 IonicContact NE-OD1 3.21Å; R90-D94 PolarHBondContact NE-OD1 3.36Å; R90-D94 IonicContact NE-OD2 3.37Å; R90-D94 PolarHBondContact NE-OD2 3.08Å; R90-D94 IonicContact NH2-OD1 3.9Å; R90-D94 IonicContact NH2-OD2 2.68Å; R90-D94 PolarHBondContact NH2-OD2 3.04Å; R90-D94 PolarHBondContact O-N 3.39Å; R90-Y95 VanDerWaalsContact CZ-CD2 3.41Å; R90-Y95 PolarHBondContact N-O 3.32Å
91W91Very high95.7Very high92 Ų9261.1 Ų61.135%0.34831%0.305SS..THydrogen-bonded Turntrans43.7-117.3165.7-161.6-100.3000113.6Y24 W25 H27 F93Y24-W91 HydrophobicContact CD1-CB 3.83Å; Y24-W91 AromaticContact CD1-CD2 3.97Å; Y24-W91 HydrophobicContact CD1-CD2 3.97Å; Y24-W91 AromaticContact CD1-CE3 3.86Å; Y24-W91 HydrophobicContact CD1-CE3 3.86Å; Y24-W91 AromaticContact CD1-CG 3.95Å; Y24-W91 HydrophobicContact CD1-CG 3.95Å; Y24-W91 HydrophobicContact CG-CE3 4.41Å; W25-W91 HydrophobicContact CB-CE3 4.34Å; W25-W91 AromaticContact CD1-CZ3 3.74Å; W25-W91 HydrophobicContact CD2-CZ3 4.35Å; W25-W91 HydrophobicContact CG-CE3 4.18Å; W25-W91 HydrophobicContact CG-CZ3 4.04Å; W25-W91 AromaticContact NE1-CZ3 3.85Å; W25-W91 PolarHBondContact O-N 2.81Å; H27-W91 PolarHBondContact CD2-O 2.91Å; H27-W91 VanDerWaalsContact CD2-O 3.29Å; H27-W91 PolarHBondContact NE2-O 3.44Å; H27-W91 VanDerWaalsContact NE2-O 3.16Å; W91-F93 PolarHBondContact O-N 3.27Å
92D91.1Very high95.9Very high126 Ų12654.8 Ų54.867%0.67428%0.275SS*.THydrogen-bonded Turntrans-79.228.8179.9-66-35.6000113R90 D94R90-D92 PolarHBondContact O-N 2.79Å; D92-D94 PolarHBondContact O-N 2.79Å
93F93.8Very high95.9Very high79 Ų7957.3 Ų57.335%0.34629%0.291SS..THydrogen-bonded Turntrans60.330.2-176.6-54.9-88.9000113.8H27 V29 W39 A89 R90 W91 Y95 W96H27-F93 HydrophobicContact CB-CE1 3.78Å; H27-F93 HydrophobicContact CB-CZ 4.18Å; H27-F93 AromaticContact CG-CE1 3.95Å; H27-F93 AromaticContact CG-CZ 3.88Å; H27-F93 AromaticContact ND1-CE1 3.97Å; H27-F93 AromaticContact ND1-CZ 3.43Å; H27-F93 WeakPolarHBondContact ND1-CZ 3.32Å; V29-F93 HydrophobicContact CG2-CE1 3.93Å; W39-F93 AromaticContact CD1-CZ 3.94Å; A89-F93 HydrophobicContact CB-CD1 3.58Å; A89-F93 HydrophobicContact CB-CE1 4.22Å; A89-F93 HydrophobicContact CB-CG 4.47Å; R90-F93 WeakPolarHBondContact O-CA 3.32Å; R90-F93 PolarHBondContact O-N 3.47Å; W91-F93 PolarHBondContact O-N 3.27Å; F93-Y95 VanDerWaalsContact C-N 3.35Å; F93-W96 HydrophobicContact CB-CZ2 3.82Å; F93-W96 AromaticContact CD1-CH2 3.75Å; F93-W96 HydrophobicContact CD1-CH2 3.75Å; F93-W96 AromaticContact CD1-CZ2 3.38Å; F93-W96 HydrophobicContact CD1-CZ2 3.38Å; F93-W96 HydrophobicContact CE1-CH2 4.24Å; F93-W96 HydrophobicContact CE1-CZ2 4.28Å; F93-W96 AromaticContact CG-CZ2 3.96Å; F93-W96 HydrophobicContact CG-CZ2 3.96Å; F93-W96 PolarHBondContact O-NE1 3.11Å
94D91Very high95.9Very high78 Ų7855.8 Ų55.842%0.41728%0.28SS..THydrogen-bonded Turntrans-74.2-26.6-178.963.4-23.1000112.7R90 D92R90-D94 IonicContact CZ-OD1 3.98Å; R90-D94 IonicContact CZ-OD2 3.43Å; R90-D94 IonicContact NE-OD1 3.21Å; R90-D94 PolarHBondContact NE-OD1 3.36Å; R90-D94 IonicContact NE-OD2 3.37Å; R90-D94 PolarHBondContact NE-OD2 3.08Å; R90-D94 IonicContact NH2-OD1 3.9Å; R90-D94 IonicContact NH2-OD2 2.68Å; R90-D94 PolarHBondContact NH2-OD2 3.04Å; R90-D94 PolarHBondContact O-N 3.39Å; D92-D94 PolarHBondContact O-N 2.79Å
95Y93.1Very high95.8Very high151 Ų15157.7 Ų57.759%0.59229%0.293SS*.EExtended strand (participates in β ladder)trans-134.1137.2173.7-68.9-93.3000111.5A89 R90 F93A89-Y95 CarbonylContact C-O 3.57Å; A89-Y95 WeakPolarHBondContact CA-O 3.37Å; R90-Y95 VanDerWaalsContact CZ-CD2 3.41Å; R90-Y95 PolarHBondContact N-O 3.32Å; F93-Y95 VanDerWaalsContact C-N 3.35Å
96W96.4Very high95.3Very high101 Ų10162.2 Ų62.238%0.38333%0.326SS..EExtended strand (participates in β ladder)trans-118.7140.3-180-68.172.9000110.9V29 L37 Y87 A89 F93V29-W96 HydrophobicContact CB-CH2 4.28Å; V29-W96 HydrophobicContact CB-CZ3 3.92Å; V29-W96 HydrophobicContact CG1-CH2 4.22Å; V29-W96 HydrophobicContact CG1-CZ3 4.12Å; V29-W96 HydrophobicContact CG2-CH2 3.85Å; V29-W96 HydrophobicContact CG2-CZ3 3.84Å; L37-W96 HydrophobicContact CD1-CH2 3.88Å; L37-W96 HydrophobicContact CD1-CZ2 4.47Å; L37-W96 HydrophobicContact CD1-CZ3 4.42Å; Y87-W96 HydrophobicContact CG-CE3 4.18Å; Y87-W96 HydrophobicContact CG-CZ3 4.39Å; A89-W96 HydrophobicContact CB-CD2 3.78Å; A89-W96 HydrophobicContact CB-CE3 3.95Å; A89-W96 HydrophobicContact CB-CG 4.24Å; A89-W96 HydrophobicContact CB-CH2 4.39Å; A89-W96 HydrophobicContact CB-CZ2 4.25Å; A89-W96 HydrophobicContact CB-CZ3 4.25Å; F93-W96 HydrophobicContact CB-CZ2 3.82Å; F93-W96 AromaticContact CD1-CH2 3.75Å; F93-W96 HydrophobicContact CD1-CH2 3.75Å; F93-W96 AromaticContact CD1-CZ2 3.38Å; F93-W96 HydrophobicContact CD1-CZ2 3.38Å; F93-W96 HydrophobicContact CE1-CH2 4.24Å; F93-W96 HydrophobicContact CE1-CZ2 4.28Å; F93-W96 AromaticContact CG-CZ2 3.96Å; F93-W96 HydrophobicContact CG-CZ2 3.96Å; F93-W96 PolarHBondContact O-NE1 3.11Å
97G95.6Very high95.2Very high26 Ų2665.2 Ų65.227%0.26834%0.342SS..  trans-67.8161.6165.200000111.1C88 G99C88-G97 PolarHBondContact O-N 3.36Å; G97-G99 PolarHBondContact O-N 3Å
98Q95.1Very high95Very high190 Ų19066.3 Ų66.389%0.88835%0.35SS*.  trans-62.3-16.5179.3-64.7-62.9-45.800113.7
99G96.3Very high94.9Very high26 Ų2669.2 Ų69.227%0.26837%0.365SS..  trans85.4149.6-176.300000112.5Y86 G97Y86-G99 CarbonylContact O-C 3.59Å; Y86-G99 VanDerWaalsContact O-CA 3.28Å; Y86-G99 WeakPolarHBondContact O-CA 3.46Å; G97-G99 PolarHBondContact O-N 3Å
100T97.6Very high94.7Very high40 Ų4073.2 Ų73.225%0.24539%0.386CS..EExtended strand (participates in β ladder)trans-120.5115.2174.9-61.20000108.6E2 L12 Y86 L102E2-T100 HydrophobicContact CG-CG2 4.01Å; L12-T100 HydrophobicContact CD2-CG2 4.05Å; Y86-T100 PolarHBondContact N-O 3.29Å; Y86-T100 PolarHBondContact O-N 3.36Å; T100-L102 PolarHBondContact O-N 3.2Å
101T97.8Very high94.7Very high63 Ų6375.8 Ų75.839%0.38740%0.403SS..EExtended strand (participates in β ladder)trans-67.7121.9169.5-49.50000109.3A1 E2A1-T101 CarbonylContact C-O 3.6Å; A1-T101 WeakPolarHBondContact CA-O 3.45Å; E2-T101 PolarHBondContact N-O 2.62Å
102L97.6Very high94.9Very high1 Ų174.7 Ų74.71%0.00541%0.406CS..EExtended strand (participates in β ladder)trans-106.9126.9166.717365.1000107.9E2 A4 V10 L75 L78 S83 A84 Y86 T100 V104E2-L102 HydrophobicContact CB-CD1 3.74Å; E2-L102 WeakPolarHBondContact O-CA 3.28Å; A4-L102 HydrophobicContact CB-CD1 4.14Å; V10-L102 HydrophobicContact CB-CD1 4.49Å; V10-L102 HydrophobicContact CG1-CD1 4.04Å; V10-L102 HydrophobicContact CG1-CD2 3.83Å; V10-L102 HydrophobicContact CG2-CD1 4.43Å; L75-L102 HydrophobicContact CD1-CD2 4.01Å; L78-L102 HydrophobicContact CD1-CD2 4.39Å; L78-L102 HydrophobicContact CD2-CD2 3.91Å; S83-L102 CarbonylContact C-O 3.39Å; S83-L102 VanDerWaalsContact CA-O 3.25Å; S83-L102 WeakPolarHBondContact CA-O 3.46Å; A84-L102 PolarHBondContact N-O 2.75Å; A84-L102 PolarHBondContact O-N 3.21Å; Y86-L102 HydrophobicContact CD2-CB 3.88Å; Y86-L102 HydrophobicContact CD2-CD2 4.41Å; Y86-L102 HydrophobicContact CE2-CB 3.74Å; Y86-L102 HydrophobicContact CE2-CD2 3.72Å; Y86-L102 HydrophobicContact CE2-CG 4.32Å; T100-L102 PolarHBondContact O-N 3.2Å; L102-V104 HydrophobicContact CD2-CG2 4.43Å; L102-V104 HydrophobicContact CG-CG2 4.26Å
103T97.6Very high95.2Very high62 Ų6271.1 Ų71.138%0.3839%0.387SS..EExtended strand (participates in β ladder)trans-113.8125.9172.5-58.80000108.7E2 L3 A4E2-T103 PolarHBondContact O-N 3.26Å; L3-T103 WeakPolarHBondContact CA-O 3.45Å; L3-T103 HydrophobicContact CD1-CG2 3.98Å; A4-T103 PolarHBondContact N-O 2.9Å
104V97.1Very high95.3Very high5 Ų570.5 Ų70.53%0.0339%0.39CS..EExtended strand (participates in β ladder)trans-106.4112.3174-1740000108.6A4 P6 L78 T79 Y80 D82 S83 L102A4-V104 CarbonylContact O-C 3.6Å; A4-V104 VanDerWaalsContact O-CA 3.26Å; A4-V104 WeakPolarHBondContact O-CA 3.33Å; P6-V104 HydrophobicContact CG-CG1 4.06Å; L78-V104 HydrophobicContact CB-CG1 4.27Å; L78-V104 HydrophobicContact CB-CG2 4.08Å; L78-V104 HydrophobicContact CD1-CG2 4.27Å; L78-V104 HydrophobicContact CD2-CG2 4.45Å; T79-V104 WeakPolarHBondContact O-CB 2.94Å; T79-V104 WeakPolarHBondContact O-CG2 3.43Å; Y80-V104 WeakPolarHBondContact CD1-O 3.23Å; D82-V104 HydrophobicContact CB-CG2 4.19Å; S83-V104 PolarHBondContact OG-N 2.87Å; L102-V104 HydrophobicContact CD2-CG2 4.43Å; L102-V104 HydrophobicContact CG-CG2 4.26Å
105S94.9Very high95.7Very high46 Ų4669.8 Ų69.832%0.32239%0.388SS..  trans-147.2157-178.763.50000111.7L3 A4L3-S105 WeakPolarHBondContact CD1-OG 3.3Å; A4-S105 PolarHBondContact O-N 2.67Å
106S89.1Confident95.9Very high127 Ų12762.5 Ų62.589%0.88837%0.369SS*.  trans-79.10178.657.70000113.1

Retrieved 106 of 106 residues in 27.9 ms (Link to these results)

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