X5J4N8_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4N8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 108 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
1P70.3Confident92.2Very high146 Ų14680.1 Ų80.195%0.94846%0.456SS*.  0121.50-9.127.7000109.6T103P1-T103 CarbonylContact C-O 3.45Å; P1-T103 WeakPolarHBondContact CA-O 3.41Å
2E85.4Confident92.5Very high76 Ų7673.8 Ų73.836%0.35542%0.42SS..EExtended strand (participates in β ladder)trans-108123.6-179.1-159.9164.2-168.100108.6V4 V10 T103 L104 T105E2-V4 HydrophobicContact CG-CG1 4.19Å; E2-V10 HydrophobicContact CG-CG2 4.06Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.41Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.44Å; E2-T103 PolarHBondContact N-O 2.62Å; E2-L104 HydrophobicContact CB-CD1 3.99Å; E2-L104 HydrophobicContact CG-CD1 4.4Å; E2-T105 PolarHBondContact O-N 3.36Å
3L91.5Very high92.9Very high125 Ų12573 Ų7365%0.65442%0.422SS*.EExtended strand (participates in β ladder)trans-106.6119.9-179.2-176.668.2000108.4T105 S107L3-T105 WeakPolarHBondContact CA-O 3.32Å; L3-T105 HydrophobicContact CD1-CG2 3.89Å; L3-S107 WeakPolarHBondContact CD1-OG 3.41Å
4V94.4Very high93.1Very high18 Ų1868.9 Ų68.911%0.10940%0.4CS..EExtended strand (participates in β ladder)trans-135.2157.6-174.9-60.70000110.6E2 D8 V10 L78 L104 T105 V106 S107E2-V4 HydrophobicContact CG-CG1 4.19Å; V4-D8 HydrophobicContact CB-CB 4.47Å; V4-V10 HydrophobicContact CG1-CG2 4.42Å; V4-L78 HydrophobicContact CB-CD1 4.39Å; V4-L78 HydrophobicContact CG2-CD1 3.51Å; V4-L104 HydrophobicContact CG1-CD1 4.24Å; V4-L104 HydrophobicContact CG2-CD1 3.77Å; V4-L104 HydrophobicContact CG2-CG 4.47Å; V4-T105 PolarHBondContact N-O 3.44Å; V4-V106 HydrophobicContact CG2-CB 4.34Å; V4-V106 HydrophobicContact CG2-CG1 4.37Å; V4-V106 HydrophobicContact CG2-CG2 3.79Å; V4-V106 WeakPolarHBondContact O-CA 3.33Å; V4-S107 PolarHBondContact O-N 3.05Å; V4-S107 VanDerWaalsContact O-N 3.08Å
5K95.1Very high93.3Very high128 Ų12874.9 Ų74.956%0.55742%0.419SS*.  trans-89.5153.9179.6-65.3-179.7179.1-179.30110.7G7 D8K5-G7 PolarHBondContact O-N 3.07Å; K5-D8 WeakPolarHBondContact CB-OD2 3.28Å; K5-D8 PolarHBondContact N-OD2 2.97Å; K5-D8 VanDerWaalsContact N-OD2 3.11Å; K5-D8 WeakPolarHBondContact O-CB 3.27Å; K5-D8 PolarHBondContact O-N 3.01Å; K5-D8 VanDerWaalsContact O-N 3.16Å
6P96.4Very high93.3Very high70 Ų7070.9 Ų70.946%0.45540%0.399SS..THydrogen-bonded Turntrans-54.5135.8169.7-24.233.6000111.5L78 V106P6-L78 CarbonylContact C-O 3.51Å; P6-L78 WeakPolarHBondContact CA-O 3.3Å; P6-V106 HydrophobicContact CB-CG1 4.46Å; P6-V106 HydrophobicContact CG-CG1 4.15Å
7G95Very high93.2Very high50 Ų5072.7 Ų72.752%0.51542%0.417SS..THydrogen-bonded Turntrans93.9-21-176.400000114.6K5 L78K5-G7 PolarHBondContact O-N 3.07Å; G7-L78 PolarHBondContact N-O 2.96Å
8D96Very high93Very high75 Ų7573.7 Ų73.740%0.40145%0.445SS..  trans-68.5167.8178.6-69.4-19.1000111.9V4 K5 S77 L78V4-D8 HydrophobicContact CB-CB 4.47Å; K5-D8 WeakPolarHBondContact CB-OD2 3.28Å; K5-D8 PolarHBondContact N-OD2 2.97Å; K5-D8 VanDerWaalsContact N-OD2 3.11Å; K5-D8 WeakPolarHBondContact O-CB 3.27Å; K5-D8 PolarHBondContact O-N 3.01Å; K5-D8 VanDerWaalsContact O-N 3.16Å; D8-S77 PolarHBondContact O-N 3Å; D8-L78 WeakPolarHBondContact O-CB 3.38Å; D8-L78 VanDerWaalsContact O-CG 3.28Å; D8-L78 WeakPolarHBondContact O-CG 3.5Å; D8-L78 PolarHBondContact O-N 2.87Å
9S96.3Very high92.7Very high66 Ų6673 Ų7346%0.46243%0.434SS..  trans-115.7149.7168.9-60.60000110.1L75 R76S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 3.29Å; S9-L75 WeakPolarHBondContact CB-O 3.39Å; S9-R76 WeakPolarHBondContact OG-CA 3.15Å; S9-R76 WeakPolarHBondContact OG-CB 3.35Å
10V96.4Very high92.7Very high7 Ų773.3 Ų73.34%0.04244%0.44CS..EExtended strand (participates in β ladder)trans-134.5144.3178.874.70000111E2 V4 I12 E74 L75 L78 L104E2-V10 HydrophobicContact CG-CG2 4.06Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.41Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.44Å; V4-V10 HydrophobicContact CG1-CG2 4.42Å; V10-I12 HydrophobicContact CG1-CG1 4.39Å; V10-E74 CarbonylContact O-C 3.52Å; V10-E74 VanDerWaalsContact O-CA 3.28Å; V10-E74 WeakPolarHBondContact O-CA 3.4Å; V10-L75 HydrophobicContact CG1-CB 4.09Å; V10-L75 HydrophobicContact CG1-CD1 4.26Å; V10-L75 PolarHBondContact N-O 2.84Å; V10-L75 PolarHBondContact O-N 3.34Å; V10-L78 HydrophobicContact CB-CD1 4.04Å; V10-L78 HydrophobicContact CG1-CD1 3.81Å; V10-L104 HydrophobicContact CB-CD1 4.43Å; V10-L104 HydrophobicContact CG1-CD1 4.02Å; V10-L104 HydrophobicContact CG1-CD2 3.85Å; V10-L104 HydrophobicContact CG2-CD1 4.22Å
11K96.9Very high92.7Very high120 Ų12070.1 Ų70.152%0.52242%0.42SS..EExtended strand (participates in β ladder)trans-112.6108.5177.3-175.9-179174.4-175.10110.4H72K11-H72 VanDerWaalsContact CE-CB 3.5Å; K11-H72 WeakPolarHBondContact CE-ND1 3Å; K11-H72 HydrophobicContact CG-CB 4.39Å
12I96.7Very high93.9Very high4 Ų465.6 Ų65.62%0.02139%0.39CS..EExtended strand (participates in β ladder)trans-90.8136.4175.3-51.8-177.5000108.8V10 W28 H72 M73 L75 Y86 T102V10-I12 HydrophobicContact CG1-CG1 4.39Å; I12-W28 HydrophobicContact CB-CH2 4.35Å; I12-W28 HydrophobicContact CB-CZ3 4.11Å; I12-W28 HydrophobicContact CG2-CH2 4.06Å; I12-W28 HydrophobicContact CG2-CZ3 3.66Å; I12-H72 CarbonylContact O-C 3.5Å; I12-H72 VanDerWaalsContact O-CA 3.29Å; I12-H72 WeakPolarHBondContact O-CA 3.25Å; I12-M73 HydrophobicContact CD1-CE 3.95Å; I12-M73 PolarHBondContact N-O 3.08Å; I12-M73 PolarHBondContact O-N 2.83Å; I12-L75 HydrophobicContact CD1-CD1 4.24Å; I12-Y86 HydrophobicContact CD1-CD1 4.31Å; I12-Y86 HydrophobicContact CD1-CD2 3.72Å; I12-Y86 HydrophobicContact CD1-CE2 4.47Å; I12-Y86 HydrophobicContact CD1-CG 3.61Å; I12-T102 HydrophobicContact CG2-CG2 4.42Å
13S96.7Very high94.2Very high64 Ų6464.5 Ų64.545%0.44840%0.399SS..EExtended strand (participates in β ladder)trans-121.7142.8-176.7-57.10000111.4A71 H72S13-A71 CarbonylContact C-O 3.51Å; S13-A71 WeakPolarHBondContact CA-O 2.99Å; S13-H72 WeakPolarHBondContact CB-ND1 3.38Å; S13-H72 PolarHBondContact OG-CE1 3.39Å; S13-H72 PolarHBondContact OG-ND1 3.14Å
14C96.3Very high94.3Very high16 Ų1661.3 Ų61.311%0.10838%0.379CS..EExtended strand (participates in β ladder)trans-133.1110176.8177.90000109.6W28 T70 A71 C88C14-W28 HydrophobicContact CB-CH2 3.8Å; C14-W28 HydrophobicContact CB-CZ2 4.11Å; C14-T70 CarbonylContact O-C 3.52Å; C14-T70 WeakPolarHBondContact O-CA 3.35Å; C14-A71 PolarHBondContact N-O 3.3Å; C14-A71 PolarHBondContact O-N 3.13Å; C14-C88 HydrophobicContact CB-CB 3.41Å; C14-C88 VanDerWaalsContact CB-CB 3.41Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.33Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.18Å
15K95.9Very high94.3Very high159 Ų15963.1 Ų63.169%0.69139%0.385SS*.EExtended strand (participates in β ladder)trans-91.7121.8179.1-172.6176-177.4178.70110.1
16A93.5Very high94.4Very high11 Ų1157.1 Ų57.19%0.09136%0.359CS..  trans-76.5147.6174.200000111.1Y19 F21 S69A16-Y19 HydrophobicContact CB-CE1 3.9Å; A16-Y19 HydrophobicContact CB-CE2 4.2Å; A16-Y19 VanDerWaalsContact CB-OH 3.31Å; A16-Y19 WeakPolarHBondContact CB-OH 3.45Å; A16-F21 HydrophobicContact CB-CB 4.13Å; A16-F21 HydrophobicContact CB-CD2 3.39Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 4.03Å; A16-S69 PolarHBondContact N-O 3.24Å
17S91.5Very high94.4Very high101 Ų10153.9 Ų53.971%0.70634%0.338SS*.  trans-150150.2174.363.20000110.4Y19S17-Y19 WeakPolarHBondContact O-CD1 3.47Å; S17-Y19 PolarHBondContact O-N 2.96Å
18G89.7Confident94.5Very high90 Ų9051.6 Ų51.693%0.92831%0.314SS*.SBendtrans79.47.7176.100000116.1
19Y87.9Confident94.6Very high61 Ų6148.2 Ų48.224%0.23930%0.296CS..SBendtrans-156.1169176.165.9-88.2000112.2A16 S17 F21 Y24 R90A16-Y19 HydrophobicContact CB-CE1 3.9Å; A16-Y19 HydrophobicContact CB-CE2 4.2Å; A16-Y19 VanDerWaalsContact CB-OH 3.31Å; A16-Y19 WeakPolarHBondContact CB-OH 3.45Å; S17-Y19 WeakPolarHBondContact O-CD1 3.47Å; S17-Y19 PolarHBondContact O-N 2.96Å; Y19-F21 PolarHBondContact O-N 3.11Å; Y19-F21 VanDerWaalsContact O-N 3.15Å; Y19-Y24 AromaticContact CD2-CD2 3.36Å; Y19-Y24 HydrophobicContact CD2-CD2 3.36Å; Y19-Y24 AromaticContact CD2-CE2 3.69Å; Y19-Y24 HydrophobicContact CD2-CE2 3.69Å; Y19-Y24 HydrophobicContact CD2-CG 4.44Å; Y19-Y24 AromaticContact CE2-CD2 3.68Å; Y19-Y24 HydrophobicContact CE2-CD2 3.68Å; Y19-Y24 HydrophobicContact CE2-CE2 4.44Å; Y19-Y24 HydrophobicContact CE2-CG 4.42Å; Y19-Y24 HydrophobicContact CG-CD2 4.38Å; Y19-Y24 HydrophobicContact CG-CE2 4.35Å; Y19-R90 HydrophobicContact CE2-CG 4.02Å
20S92.2Very high94.5Very high78 Ų7845.3 Ų45.355%0.54528%0.275SS..  trans-72.4101.8173.6-177.20000110.7T22 G23 Y24S20-T22 PolarHBondContact O-N 3.48Å; S20-G23 PolarHBondContact O-N 3.36Å; S20-Y24 WeakPolarHBondContact O-CD2 3.41Å
21F93.3Very high94.5Very high7 Ų748.4 Ų48.43%0.03129%0.289CS..G310 helixtrans-55.2-36.6-174.6177.2-123.9000113.6A16 Y19 G23 M26 P45 V64 A71A16-F21 HydrophobicContact CB-CB 4.13Å; A16-F21 HydrophobicContact CB-CD2 3.39Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 4.03Å; Y19-F21 PolarHBondContact O-N 3.11Å; Y19-F21 VanDerWaalsContact O-N 3.15Å; F21-G23 PolarHBondContact O-N 3.46Å; F21-M26 HydrophobicContact CE2-CE 3.95Å; F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.44Å; F21-P45 HydrophobicContact CD2-CB 4.44Å; F21-P45 HydrophobicContact CD2-CG 4.2Å; F21-P45 HydrophobicContact CE1-CB 3.53Å; F21-P45 HydrophobicContact CE1-CG 4.06Å; F21-P45 HydrophobicContact CE2-CB 4.16Å; F21-P45 HydrophobicContact CE2-CG 3.77Å; F21-P45 HydrophobicContact CG-CB 4.3Å; F21-P45 HydrophobicContact CZ-CB 3.71Å; F21-P45 HydrophobicContact CZ-CG 3.7Å; F21-P45 WeakPolarHBondContact O-CG 3.42Å; F21-V64 HydrophobicContact CE1-CB 4.35Å; F21-V64 HydrophobicContact CE1-CG1 4.34Å; F21-V64 HydrophobicContact CZ-CG1 4.05Å; F21-A71 HydrophobicContact CE2-CB 4.38Å; F21-A71 HydrophobicContact CZ-CB 4.02Å
22T94.6Very high94.2Very high52 Ų5243.2 Ų43.232%0.31927%0.268SS..G310 helixtrans-76.6-6.6179.856.30000114.1S20 Y46 K66S20-T22 PolarHBondContact O-N 3.48Å; T22-Y46 WeakPolarHBondContact O-CB 3.43Å; T22-K66 HydrophobicContact CG2-CD 4.32Å; T22-K66 HydrophobicContact CG2-CG 4.49Å
23G92.8Very high93.6Very high52 Ų5249.5 Ų49.554%0.53630%0.297SS..G310 helixtrans-83.6-10.6179.100000114.7S20 F21S20-G23 PolarHBondContact O-N 3.36Å; F21-G23 PolarHBondContact O-N 3.46Å
24Y92.9Very high92.6Very high59 Ų5950.9 Ų50.923%0.23132%0.322CS..SBendtrans-138.2148.3-167.3-58.3-73000112.4Y19 S20 P45 R90 D92Y19-Y24 AromaticContact CD2-CD2 3.36Å; Y19-Y24 HydrophobicContact CD2-CD2 3.36Å; Y19-Y24 AromaticContact CD2-CE2 3.69Å; Y19-Y24 HydrophobicContact CD2-CE2 3.69Å; Y19-Y24 HydrophobicContact CD2-CG 4.44Å; Y19-Y24 AromaticContact CE2-CD2 3.68Å; Y19-Y24 HydrophobicContact CE2-CD2 3.68Å; Y19-Y24 HydrophobicContact CE2-CE2 4.44Å; Y19-Y24 HydrophobicContact CE2-CG 4.42Å; Y19-Y24 HydrophobicContact CG-CD2 4.38Å; Y19-Y24 HydrophobicContact CG-CE2 4.35Å; S20-Y24 WeakPolarHBondContact O-CD2 3.41Å; Y24-P45 WeakPolarHBondContact O-CD 3.41Å; Y24-P45 WeakPolarHBondContact O-CG 3.45Å; Y24-R90 HydrophobicContact CD2-CG 4.48Å; Y24-R90 HydrophobicContact CG-CG 4Å; Y24-D92 HydrophobicContact CD1-CB 3.56Å; Y24-D92 HydrophobicContact CE1-CB 3.55Å; Y24-D92 WeakPolarHBondContact CE1-OD1 2.88Å; Y24-D92 VanDerWaalsContact CE1-OD2 3.3Å; Y24-D92 WeakPolarHBondContact CE1-OD2 3.32Å
25F94.7Very high91.8Very high55 Ų5556.2 Ų56.224%0.24134%0.343CS..EExtended strand (participates in β ladder)trans-70143.8171-76.4-93000110.5R42 N44 D91F25-R42 HydrophobicContact CD1-CB 4.43Å; F25-R42 HydrophobicContact CD1-CG 3.87Å; F25-R42 HydrophobicContact CE1-CG 4.43Å; F25-N44 HydrophobicContact CD1-CB 3.87Å; F25-N44 HydrophobicContact CE1-CB 3.47Å; F25-N44 VanDerWaalsContact CE1-CB 3.47Å; F25-N44 HydrophobicContact CZ-CB 3.96Å; F25-D91 HydrophobicContact CB-CB 4.17Å; F25-D91 PolarHBondContact N-O 3.5Å; F25-D91 VanDerWaalsContact N-O 3.13Å; F25-D91 PolarHBondContact O-N 2.92Å
26M96.4Very high91.4Very high3 Ų353 Ų532%0.01534%0.341CS..EExtended strand (participates in β ladder)trans-105119.1167-172.762.869.900109.2F21 R42 I43 A71 C88F21-M26 HydrophobicContact CE2-CE 3.95Å; M26-R42 CarbonylContact O-C 3.49Å; M26-R42 WeakPolarHBondContact O-CA 3.4Å; M26-R42 WeakPolarHBondContact O-CB 3.44Å; M26-I43 HydrophobicContact CB-CG2 4.09Å; M26-I43 PolarHBondContact N-O 2.82Å; M26-I43 PolarHBondContact O-N 3.25Å; M26-A71 HydrophobicContact CB-CB 4.06Å; M26-A71 HydrophobicContact CG-CB 3.62Å; M26-C88 HydrophobicContact CG-CB 4.39Å; M26-C88 HydrophobicContact SD-CB 3.72Å
27N96.8Very high91.4Very high2 Ų256.7 Ų56.71%0.01136%0.358CS..EExtended strand (participates in β ladder)trans-98.7151.6177.2-67.9-96.1000110.8W39 G41 R42 C88 A89 D91 F95N27-W39 PolarHBondContact OD1-NE1 2.67Å; N27-G41 CarbonylContact C-O 3.59Å; N27-G41 WeakPolarHBondContact CA-O 3.28Å; N27-R42 HydrophobicContact CB-CB 4.41Å; N27-R42 VanDerWaalsContact OD1-CB 3.28Å; N27-R42 WeakPolarHBondContact OD1-CB 3.32Å; N27-C88 CarbonylContact O-C 3.6Å; N27-C88 WeakPolarHBondContact O-CA 3.38Å; N27-A89 HydrophobicContact CB-CB 4.49Å; N27-A89 WeakPolarHBondContact CB-O 3.35Å; N27-A89 PolarHBondContact N-O 2.8Å; N27-A89 PolarHBondContact O-N 2.78Å; N27-D91 WeakPolarHBondContact ND2-CB 3.48Å; N27-F95 HydrophobicContact CB-CD1 4.25Å; N27-F95 HydrophobicContact CB-CE1 3.51Å; N27-F95 HydrophobicContact CB-CZ 4.47Å
28W97.6Very high91.6Very high2 Ų253.8 Ų53.81%0.00833%0.333CS..EExtended strand (participates in β ladder)trans-120133.7173.5-68.391.8000109.6I12 C14 I40 G41 L62 A71 M73 Y87 C88I12-W28 HydrophobicContact CB-CH2 4.35Å; I12-W28 HydrophobicContact CB-CZ3 4.11Å; I12-W28 HydrophobicContact CG2-CH2 4.06Å; I12-W28 HydrophobicContact CG2-CZ3 3.66Å; C14-W28 HydrophobicContact CB-CH2 3.8Å; C14-W28 HydrophobicContact CB-CZ2 4.11Å; W28-I40 HydrophobicContact CB-CB 4.13Å; W28-I40 HydrophobicContact CB-CD1 4.43Å; W28-I40 HydrophobicContact CB-CG2 4.44Å; W28-I40 WeakPolarHBondContact O-CB 3.42Å; W28-I40 PolarHBondContact O-N 3.01Å; W28-G41 PolarHBondContact N-O 3.16Å; W28-L62 VanDerWaalsContact CD1-CD2 3.44Å; W28-L62 HydrophobicContact CG-CD2 3.99Å; W28-A71 HydrophobicContact CZ2-CB 4.14Å; W28-M73 HydrophobicContact CB-SD 3.81Å; W28-M73 HydrophobicContact CD2-CB 3.65Å; W28-M73 HydrophobicContact CD2-CE 4.27Å; W28-M73 HydrophobicContact CD2-CG 4.44Å; W28-M73 HydrophobicContact CD2-SD 4.01Å; W28-M73 HydrophobicContact CE3-CB 3.9Å; W28-M73 HydrophobicContact CE3-CE 3.71Å; W28-M73 HydrophobicContact CE3-SD 4.08Å; W28-M73 HydrophobicContact CG-CB 4.17Å; W28-M73 HydrophobicContact CG-SD 3.92Å; W28-M73 HydrophobicContact CH2-CB 4.08Å; W28-M73 HydrophobicContact CZ2-CB 3.86Å; W28-M73 HydrophobicContact CZ3-CB 4.11Å; W28-M73 HydrophobicContact CZ3-CE 4.25Å; W28-Y87 WeakPolarHBondContact CA-O 3.35Å; W28-C88 HydrophobicContact CE3-CB 4.28Å; W28-C88 HydrophobicContact CH2-CB 4.35Å; W28-C88 HydrophobicContact CZ3-CB 4.18Å
29V96.8Very high91.9Very high4 Ų453.2 Ų53.22%0.02430%0.303CS..EExtended strand (participates in β ladder)trans-138.7139.6-174.9-176.50000108.2L37 E38 Y86 Y87 W98V29-L37 HydrophobicContact CG1-CB 3.83Å; V29-L37 HydrophobicContact CG1-CD2 4.06Å; V29-L37 HydrophobicContact CG1-CG 4.42Å; V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 3.25Å; V29-E38 WeakPolarHBondContact CG1-O 3.34Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.37Å; V29-Y87 PolarHBondContact N-O 3.34Å; V29-Y87 PolarHBondContact O-N 2.87Å; V29-W98 HydrophobicContact CB-CH2 4.09Å; V29-W98 HydrophobicContact CB-CZ3 3.81Å; V29-W98 HydrophobicContact CG1-CH2 4.03Å; V29-W98 HydrophobicContact CG1-CZ3 3.97Å; V29-W98 HydrophobicContact CG2-CH2 3.78Å; V29-W98 HydrophobicContact CG2-CZ3 3.91Å
30M95.7Very high92.3Very high4 Ų450.3 Ų50.32%0.0229%0.292CS..EExtended strand (participates in β ladder)trans-113.7151.8171.462.6179.9-79.100112.2S32 E38 I40 F56 A84 V85 Y86M30-S32 VanDerWaalsContact CE-OG 3.27Å; M30-S32 WeakPolarHBondContact CE-OG 3.26Å; M30-E38 HydrophobicContact CG-CB 3.92Å; M30-E38 PolarHBondContact N-O 2.88Å; M30-E38 PolarHBondContact O-N 3.42Å; M30-I40 HydrophobicContact CB-CD1 3.97Å; M30-I40 HydrophobicContact CG-CD1 4.13Å; M30-I40 HydrophobicContact CG-CG1 4.21Å; M30-I40 HydrophobicContact SD-CD1 4.47Å; M30-F56 HydrophobicContact CG-CE1 4.42Å; M30-F56 HydrophobicContact CG-CZ 4Å; M30-F56 HydrophobicContact SD-CD1 4.46Å; M30-F56 HydrophobicContact SD-CE1 3.25Å; M30-F56 WeakPolarHBondContact SD-CE1 3.32Å; M30-F56 HydrophobicContact SD-CE2 4.49Å; M30-F56 HydrophobicContact SD-CZ 3.26Å; M30-F56 WeakPolarHBondContact SD-CZ 3.39Å; M30-A84 HydrophobicContact CB-CB 4.28Å; M30-A84 HydrophobicContact CE-CB 3.87Å; M30-V85 CarbonylContact C-O 3.59Å; M30-V85 WeakPolarHBondContact CA-O 3.31Å; M30-Y86 HydrophobicContact CB-CD1 3.69Å; M30-Y86 HydrophobicContact CB-CE1 3.59Å; M30-Y86 HydrophobicContact CB-CG 4.48Å; M30-Y86 HydrophobicContact CG-CE1 4.42Å; M30-Y86 HydrophobicContact SD-CE1 4.12Å
31Q95.6Very high92.5Very high72 Ų7246.6 Ų46.634%0.33627%0.266SS..EExtended strand (participates in β ladder)trans-127100.4171.8-166.6177.424.200109L37 A84 V85 Y87Q31-L37 HydrophobicContact CB-CD2 3.78Å; Q31-L37 HydrophobicContact CG-CD2 3.97Å; Q31-A84 WeakPolarHBondContact O-CA 3.33Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.41Å; Q31-V85 PolarHBondContact N-O 2.83Å; Q31-V85 PolarHBondContact O-N 2.86Å; Q31-Y87 HydrophobicContact CB-CE2 3.82Å; Q31-Y87 PolarHBondContact OE1-OH 2.97Å
32S91.4Very high92.7Very high12 Ų1249.8 Ų49.88%0.08428%0.278CS..EExtended strand (participates in β ladder)trans-67.4152.9169.6-570000110.2M30 G34 K35M30-S32 VanDerWaalsContact CE-OG 3.27Å; M30-S32 WeakPolarHBondContact CE-OG 3.26Å; S32-G34 PolarHBondContact O-N 2.83Å; S32-G34 VanDerWaalsContact O-N 3.07Å; S32-K35 PolarHBondContact O-N 3.08Å
33H83.3Confident92.8Very high136 Ų13647.5 Ų47.563%0.6326%0.264SS*.THydrogen-bonded Turntrans-54.3117.5-179.4-64.3179.5000111.2K35H33-K35 VanDerWaalsContact C-N 3.29Å; H33-K35 PolarHBondContact O-N 2.82Å
34G76.1Confident93Very high93 Ų9346.3 Ų46.396%0.95925%0.245SC*.THydrogen-bonded Turntrans74.46.8179.600000116S32S32-G34 PolarHBondContact O-N 2.83Å; S32-G34 VanDerWaalsContact O-N 3.07Å
35K79.3Confident93.2Very high128 Ų12843.5 Ų43.556%0.55723%0.234SC*.SBendtrans-106.2163.8177.4-61.8-168.6-176.9174.40112.5S32 H33S32-K35 PolarHBondContact O-N 3.08Å; H33-K35 VanDerWaalsContact C-N 3.29Å; H33-K35 PolarHBondContact O-N 2.82Å
36S87.8Confident93.2Very high92 Ų9248.5 Ų48.564%0.64325%0.252SS*.  trans-62.9160.7170.155.30000111.7E38S36-E38 PolarHBondContact O-N 2.86Å
37L93.6Very high93.2Very high88 Ų8852.2 Ų52.246%0.46127%0.272SS..EExtended strand (participates in β ladder)trans-61.8131.1170.7-64.7174.7000110.6V29 Q31 Y87 W98V29-L37 HydrophobicContact CG1-CB 3.83Å; V29-L37 HydrophobicContact CG1-CD2 4.06Å; V29-L37 HydrophobicContact CG1-CG 4.42Å; Q31-L37 HydrophobicContact CB-CD2 3.78Å; Q31-L37 HydrophobicContact CG-CD2 3.97Å; L37-Y87 HydrophobicContact CD2-CD2 4.45Å; L37-Y87 HydrophobicContact CD2-CE2 4.33Å; L37-W98 HydrophobicContact CD1-CH2 3.98Å; L37-W98 HydrophobicContact CD1-CZ3 4.36Å
38E94.9Very high93.2Very high39 Ų3953.6 Ų53.618%0.18229%0.287CS..EExtended strand (participates in β ladder)trans-114.8119.3175.5-64.8-169.6-121.700109.9V29 M30 S36 I40 K55 F56V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 3.25Å; V29-E38 WeakPolarHBondContact CG1-O 3.34Å; M30-E38 HydrophobicContact CG-CB 3.92Å; M30-E38 PolarHBondContact N-O 2.88Å; M30-E38 PolarHBondContact O-N 3.42Å; S36-E38 PolarHBondContact O-N 2.86Å; E38-I40 PolarHBondContact O-N 3.11Å; E38-K55 IonicContact OE1-NZ 2.67Å; E38-K55 PolarHBondContact OE1-NZ 2.93Å; E38-K55 IonicContact OE2-NZ 3.25Å; E38-K55 PolarHBondContact OE2-NZ 2.89Å; E38-F56 HydrophobicContact CB-CE2 4.5Å; E38-F56 HydrophobicContact CB-CZ 4.5Å
39W95.7Very high93.1Very high78 Ų7857.5 Ų57.530%0.29531%0.308SS..EExtended strand (participates in β ladder)trans-74.2126.5176.4-17881.9000110.7N27 G41 R42 F51 N53 F95N27-W39 PolarHBondContact OD1-NE1 2.67Å; W39-G41 PolarHBondContact NE1-O 3.4Å; W39-R42 HydrophobicContact CZ2-CB 3.98Å; W39-R42 HydrophobicContact CZ2-CG 3.94Å; W39-F51 HydrophobicContact CH2-CB 4.23Å; W39-N53 HydrophobicContact CE3-CB 3.82Å; W39-N53 HydrophobicContact CZ3-CB 4.02Å; W39-N53 VanDerWaalsContact O-CB 3.23Å; W39-N53 WeakPolarHBondContact O-CB 3.07Å; W39-N53 PolarHBondContact O-ND2 2.9Å; W39-F95 AromaticContact CD1-CZ 3.94Å
40I97.3Very high93.1Very high0 Ų059.9 Ų59.90%032%0.322CS..EExtended strand (participates in β ladder)trans-89.4-48.1-178.4-68165.5000110.4W28 M30 E38 N53 F56 A60 M73 Y86W28-I40 HydrophobicContact CB-CB 4.13Å; W28-I40 HydrophobicContact CB-CD1 4.43Å; W28-I40 HydrophobicContact CB-CG2 4.44Å; W28-I40 WeakPolarHBondContact O-CB 3.42Å; W28-I40 PolarHBondContact O-N 3.01Å; M30-I40 HydrophobicContact CB-CD1 3.97Å; M30-I40 HydrophobicContact CG-CD1 4.13Å; M30-I40 HydrophobicContact CG-CG1 4.21Å; M30-I40 HydrophobicContact SD-CD1 4.47Å; E38-I40 PolarHBondContact O-N 3.11Å; I40-N53 PolarHBondContact O-N 2.83Å; I40-F56 HydrophobicContact CB-CD2 4.17Å; I40-F56 HydrophobicContact CB-CG 4.19Å; I40-F56 HydrophobicContact CG1-CD1 4.04Å; I40-F56 HydrophobicContact CG1-CD2 3.96Å; I40-F56 HydrophobicContact CG1-CE1 4.09Å; I40-F56 HydrophobicContact CG1-CE2 3.97Å; I40-F56 HydrophobicContact CG1-CG 3.98Å; I40-F56 HydrophobicContact CG1-CZ 4.05Å; I40-F56 HydrophobicContact CG2-CB 3.8Å; I40-F56 HydrophobicContact CG2-CD1 4.39Å; I40-F56 HydrophobicContact CG2-CD2 4.36Å; I40-F56 HydrophobicContact CG2-CG 3.92Å; I40-A60 HydrophobicContact CG2-CB 3.78Å; I40-M73 HydrophobicContact CD1-CE 4.05Å; I40-M73 HydrophobicContact CD1-SD 3.78Å; I40-M73 HydrophobicContact CG2-SD 3.95Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.76Å
41G97.2Very high93.2Very high0 Ų064.8 Ų64.80%034%0.344CS..EExtended strand (participates in β ladder)trans168.8177.7-172.800000112.2N27 W28 W39 F51N27-G41 CarbonylContact C-O 3.59Å; N27-G41 WeakPolarHBondContact CA-O 3.28Å; W28-G41 PolarHBondContact N-O 3.16Å; W39-G41 PolarHBondContact NE1-O 3.4Å; G41-F51 CarbonylContact C-O 3.55Å; G41-F51 WeakPolarHBondContact CA-O 3.23Å
42R96.8Very high93.3Very high75 Ų7564.2 Ų64.228%0.28334%0.339SS..EExtended strand (participates in β ladder)trans-139.7154.8173.272.2-175179.4175.70.2111.7F25 M26 N27 W39 T50 F51 D91F25-R42 HydrophobicContact CD1-CB 4.43Å; F25-R42 HydrophobicContact CD1-CG 3.87Å; F25-R42 HydrophobicContact CE1-CG 4.43Å; M26-R42 CarbonylContact O-C 3.49Å; M26-R42 WeakPolarHBondContact O-CA 3.4Å; M26-R42 WeakPolarHBondContact O-CB 3.44Å; N27-R42 HydrophobicContact CB-CB 4.41Å; N27-R42 VanDerWaalsContact OD1-CB 3.28Å; N27-R42 WeakPolarHBondContact OD1-CB 3.32Å; W39-R42 HydrophobicContact CZ2-CB 3.98Å; W39-R42 HydrophobicContact CZ2-CG 3.94Å; R42-T50 WeakPolarHBondContact O-CA 3.15Å; R42-F51 HydrophobicContact CG-CB 4.17Å; R42-F51 HydrophobicContact CG-CD2 4.34Å; R42-F51 PolarHBondContact N-O 3.14Å; R42-F51 PolarHBondContact O-N 2.96Å; R42-D91 IonicContact NH1-OD2 3.49Å; R42-D91 PolarHBondContact NH1-OD2 3.22Å
43I97.4Very high93.5Very high4 Ų466.3 Ų66.32%0.02135%0.349CS..EExtended strand (participates in β ladder)trans-126137.5173.5-173.9157.5000109.5M26 P45 D49 T50 L62 V64M26-I43 HydrophobicContact CB-CG2 4.09Å; M26-I43 PolarHBondContact N-O 2.82Å; M26-I43 PolarHBondContact O-N 3.25Å; I43-P45 WeakPolarHBondContact O-CD 3.2Å; I43-D49 CarbonylContact C-O 3.54Å; I43-D49 WeakPolarHBondContact CA-O 3.49Å; I43-T50 HydrophobicContact CB-CG2 4.01Å; I43-T50 HydrophobicContact CD1-CG2 3.67Å; I43-T50 HydrophobicContact CG1-CG2 3.79Å; I43-L62 HydrophobicContact CB-CB 4.11Å; I43-L62 HydrophobicContact CB-CD1 4.33Å; I43-L62 HydrophobicContact CD1-CB 4.1Å; I43-L62 HydrophobicContact CG2-CB 4.45Å; I43-V64 HydrophobicContact CD1-CB 4.5Å; I43-V64 HydrophobicContact CD1-CG1 3.8Å; I43-V64 HydrophobicContact CD1-CG2 4.25Å; I43-V64 HydrophobicContact CG1-CG1 3.94Å; I43-V64 HydrophobicContact CG2-CG1 3.8Å
44N96.4Very high94.1Very high26 Ų2666.6 Ų66.614%0.13935%0.351CS..  trans-85.6111.6169.2-173.4-14.2000109.1F25 Y46 N47 G48 D49F25-N44 HydrophobicContact CD1-CB 3.87Å; F25-N44 HydrophobicContact CE1-CB 3.47Å; F25-N44 VanDerWaalsContact CE1-CB 3.47Å; F25-N44 HydrophobicContact CZ-CB 3.96Å; N44-Y46 PolarHBondContact O-N 3.19Å; N44-Y46 WeakPolarHBondContact OD1-CB 3.2Å; N44-Y46 PolarHBondContact OD1-N 2.77Å; N44-N47 VanDerWaalsContact CB-OD1 3.25Å; N44-N47 WeakPolarHBondContact CB-OD1 2.99Å; N44-N47 VanDerWaalsContact CG-OD1 3.32Å; N44-N47 PolarHBondContact ND2-OD1 2.98Å; N44-N47 PolarHBondContact O-N 2.78Å; N44-G48 WeakPolarHBondContact O-CA 3.07Å; N44-G48 PolarHBondContact O-N 2.88Å; N44-D49 HydrophobicContact CB-CB 4.32Å; N44-D49 PolarHBondContact N-O 3.11Å
45P96.3Very high94.8Very high0 Ų068.2 Ų68.20%033%0.332CS..THydrogen-bonded Turntrans-68.6-15.5179.3-1631.9000114F21 Y24 I43 V64 K66F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.44Å; F21-P45 HydrophobicContact CD2-CB 4.44Å; F21-P45 HydrophobicContact CD2-CG 4.2Å; F21-P45 HydrophobicContact CE1-CB 3.53Å; F21-P45 HydrophobicContact CE1-CG 4.06Å; F21-P45 HydrophobicContact CE2-CB 4.16Å; F21-P45 HydrophobicContact CE2-CG 3.77Å; F21-P45 HydrophobicContact CG-CB 4.3Å; F21-P45 HydrophobicContact CZ-CB 3.71Å; F21-P45 HydrophobicContact CZ-CG 3.7Å; F21-P45 WeakPolarHBondContact O-CG 3.42Å; Y24-P45 WeakPolarHBondContact O-CD 3.41Å; Y24-P45 WeakPolarHBondContact O-CG 3.45Å; I43-P45 WeakPolarHBondContact O-CD 3.2Å; P45-V64 HydrophobicContact CB-CG1 4.03Å; P45-V64 HydrophobicContact CG-CG1 4.24Å; P45-K66 WeakPolarHBondContact O-CE 3.28Å
46Y95.6Very high95.6Very high161 Ų16162.4 Ų62.463%0.63131%0.306SS*.THydrogen-bonded Turntrans-66.7-50.6175.4-178.6-111.8000112.4T22 N44 K66T22-Y46 WeakPolarHBondContact O-CB 3.43Å; N44-Y46 PolarHBondContact O-N 3.19Å; N44-Y46 WeakPolarHBondContact OD1-CB 3.2Å; N44-Y46 PolarHBondContact OD1-N 2.77Å; Y46-K66 PolarHBondContact O-NZ 2.79Å
47N95.8Very high95.9Very high80 Ų8064.7 Ų64.743%0.42831%0.305SS..THydrogen-bonded Turntrans-122.7-8.3-172.165.51.1000114.3N44 D49N44-N47 VanDerWaalsContact CB-OD1 3.25Å; N44-N47 WeakPolarHBondContact CB-OD1 2.99Å; N44-N47 VanDerWaalsContact CG-OD1 3.32Å; N44-N47 PolarHBondContact ND2-OD1 2.98Å; N44-N47 PolarHBondContact O-N 2.78Å; N47-D49 VanDerWaalsContact ND2-CG 3.34Å; N47-D49 PolarHBondContact ND2-OD2 3.5Å; N47-D49 WeakPolarHBondContact OD1-CB 3.28Å; N47-D49 PolarHBondContact OD1-N 2.88Å; N47-D49 PolarHBondContact OD1-OD2 3.44Å
48G95.9Very high95.8Very high31 Ų3162.4 Ų62.432%0.3230%0.302SS..  trans85.94.7179.800000114.7N44 T50N44-G48 WeakPolarHBondContact O-CA 3.07Å; N44-G48 PolarHBondContact O-N 2.88Å; G48-T50 PolarHBondContact O-N 2.67Å
49D96.6Very high95.8Very high84 Ų8462.4 Ų62.445%0.44930%0.302SS..  trans-61.9134.8-179.5-72.4-15.8000111.1I43 N44 N47I43-D49 CarbonylContact C-O 3.54Å; I43-D49 WeakPolarHBondContact CA-O 3.49Å; N44-D49 HydrophobicContact CB-CB 4.32Å; N44-D49 PolarHBondContact N-O 3.11Å; N47-D49 VanDerWaalsContact ND2-CG 3.34Å; N47-D49 PolarHBondContact ND2-OD2 3.5Å; N47-D49 WeakPolarHBondContact OD1-CB 3.28Å; N47-D49 PolarHBondContact OD1-N 2.88Å; N47-D49 PolarHBondContact OD1-OD2 3.44Å
50T97.6Very high95.9Very high54 Ų5458.9 Ų58.933%0.33129%0.289SS..EExtended strand (participates in β ladder)trans-119.9142-177.752.50000111.9R42 I43 G48 Y52 L62R42-T50 WeakPolarHBondContact O-CA 3.15Å; I43-T50 HydrophobicContact CB-CG2 4.01Å; I43-T50 HydrophobicContact CD1-CG2 3.67Å; I43-T50 HydrophobicContact CG1-CG2 3.79Å; G48-T50 PolarHBondContact O-N 2.67Å; T50-Y52 HydrophobicContact CG2-CE2 4.43Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.43Å; T50-L62 HydrophobicContact CG2-CB 3.95Å
51F96.8Very high96Very high108 Ų10861.7 Ų61.747%0.47431%0.306SS..EExtended strand (participates in β ladder)trans-126.7136.4169.4-65.2-91.6000108.5W39 G41 R42W39-F51 HydrophobicContact CH2-CB 4.23Å; G41-F51 CarbonylContact C-O 3.55Å; G41-F51 WeakPolarHBondContact CA-O 3.23Å; R42-F51 HydrophobicContact CG-CB 4.17Å; R42-F51 HydrophobicContact CG-CD2 4.34Å; R42-F51 PolarHBondContact N-O 3.14Å; R42-F51 PolarHBondContact O-N 2.96Å
52Y97.4Very high96Very high60 Ų6062.2 Ų62.224%0.23531%0.309CS..EExtended strand (participates in β ladder)trans-122.3146.2-178-66-89.1000110.4T50 A60 L62T50-Y52 HydrophobicContact CG2-CE2 4.43Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.43Å; Y52-A60 HydrophobicContact CE1-CB 4.31Å; Y52-A60 VanDerWaalsContact CE1-O 3.3Å; Y52-A60 WeakPolarHBondContact CE1-O 3.14Å; Y52-L62 HydrophobicContact CE1-CD1 4.09Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 2.85Å
53N96.1Very high96.1Very high55 Ų5560.9 Ų60.929%0.29431%0.314SS..  trans-67.9137.4155.5-179.8-20.5000108.7W39 I40 K55 F56 K57W39-N53 HydrophobicContact CE3-CB 3.82Å; W39-N53 HydrophobicContact CZ3-CB 4.02Å; W39-N53 VanDerWaalsContact O-CB 3.23Å; W39-N53 WeakPolarHBondContact O-CB 3.07Å; W39-N53 PolarHBondContact O-ND2 2.9Å; I40-N53 PolarHBondContact O-N 2.83Å; N53-K55 PolarHBondContact O-N 2.02Å; N53-K55 VanDerWaalsContact O-N 3.14Å; N53-K55 PolarHBondContact OD1-N 3.4Å; N53-K55 VanDerWaalsContact OD1-N 3.14Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 2.81Å; N53-K57 PolarHBondContact O-N 3.02Å; N53-K57 VanDerWaalsContact O-N 3.17Å
54Q95.2Very high96.1Very high143 Ų14362.4 Ų62.467%0.66832%0.324SS*.G310 helixtrans-55-34.3-177.6-64.4-60.6-26.100112.7F56 K57Q54-F56 PolarHBondContact O-N 2.88Å; Q54-K57 PolarHBondContact O-N 2.94Å
55K92.4Very high96.1Very high127 Ų12764 Ų6455%0.55233%0.332SS*.G310 helixtrans-59.1-32.4177.7-176.2178.7171.6-175.10113.1E38 N53E38-K55 IonicContact OE1-NZ 2.67Å; E38-K55 PolarHBondContact OE1-NZ 2.93Å; E38-K55 IonicContact OE2-NZ 3.25Å; E38-K55 PolarHBondContact OE2-NZ 2.89Å; N53-K55 PolarHBondContact O-N 2.02Å; N53-K55 VanDerWaalsContact O-N 3.14Å; N53-K55 PolarHBondContact OD1-N 3.4Å; N53-K55 VanDerWaalsContact OD1-N 3.14Å
56F94.6Very high96Very high6 Ų669.3 Ų69.33%0.02636%0.355CS..G310 helixtrans-105.3-2.7-175.5-60.5-78.5000113.3M30 E38 I40 N53 Q54 G58 K59 A60M30-F56 HydrophobicContact CG-CE1 4.42Å; M30-F56 HydrophobicContact CG-CZ 4Å; M30-F56 HydrophobicContact SD-CD1 4.46Å; M30-F56 HydrophobicContact SD-CE1 3.25Å; M30-F56 WeakPolarHBondContact SD-CE1 3.32Å; M30-F56 HydrophobicContact SD-CE2 4.49Å; M30-F56 HydrophobicContact SD-CZ 3.26Å; M30-F56 WeakPolarHBondContact SD-CZ 3.39Å; E38-F56 HydrophobicContact CB-CE2 4.5Å; E38-F56 HydrophobicContact CB-CZ 4.5Å; I40-F56 HydrophobicContact CB-CD2 4.17Å; I40-F56 HydrophobicContact CB-CG 4.19Å; I40-F56 HydrophobicContact CG1-CD1 4.04Å; I40-F56 HydrophobicContact CG1-CD2 3.96Å; I40-F56 HydrophobicContact CG1-CE1 4.09Å; I40-F56 HydrophobicContact CG1-CE2 3.97Å; I40-F56 HydrophobicContact CG1-CG 3.98Å; I40-F56 HydrophobicContact CG1-CZ 4.05Å; I40-F56 HydrophobicContact CG2-CB 3.8Å; I40-F56 HydrophobicContact CG2-CD1 4.39Å; I40-F56 HydrophobicContact CG2-CD2 4.36Å; I40-F56 HydrophobicContact CG2-CG 3.92Å; N53-F56 HydrophobicContact CB-CD2 4.07Å; N53-F56 PolarHBondContact O-N 2.81Å; Q54-F56 PolarHBondContact O-N 2.88Å; F56-G58 PolarHBondContact O-N 2.92Å; F56-K59 PolarHBondContact O-N 3.36Å; F56-A60 HydrophobicContact CB-CB 4.44Å; F56-A60 PolarHBondContact O-N 3.45Å
57K93.6Very high95.9Very high140 Ų14066.9 Ų66.961%0.60936%0.362SS*.BIsolated β-bridgetrans-63120.1177.6-169.5174.2-178.4-1800109.1N53 Q54 K59N53-K57 PolarHBondContact O-N 3.02Å; N53-K57 VanDerWaalsContact O-N 3.17Å; Q54-K57 PolarHBondContact O-N 2.94Å; K57-K59 PolarHBondContact O-N 2.88Å
58G92.6Very high95.9Very high40 Ų4065 Ų6541%0.41236%0.355SS..THydrogen-bonded Turntrans78.52.9-175.200000114.7F56 R76F56-G58 PolarHBondContact O-N 2.92Å; G58-R76 VanDerWaalsContact CA-NH2 3.31Å; G58-R76 PolarHBondContact O-NE 2.8Å; G58-R76 PolarHBondContact O-NH2 2.85Å
59K95.4Very high96Very high39 Ų3965.4 Ų65.417%0.1735%0.353CS..THydrogen-bonded Turntrans-101.1-42164.9-175.373.9179-160.50111.1F56 K57 R76 S77 D82F56-K59 PolarHBondContact O-N 3.36Å; K57-K59 PolarHBondContact O-N 2.88Å; K59-R76 VanDerWaalsContact CD-O 3.24Å; K59-R76 WeakPolarHBondContact CD-O 3.43Å; K59-R76 WeakPolarHBondContact CE-O 3.28Å; K59-R76 PolarHBondContact NZ-O 2.88Å; K59-R76 PolarHBondContact O-N 3.22Å; K59-R76 VanDerWaalsContact O-N 3.1Å; K59-S77 PolarHBondContact NZ-O 2.9Å; K59-D82 WeakPolarHBondContact CE-OD1 3.19Å; K59-D82 WeakPolarHBondContact CE-OD2 3.33Å; K59-D82 IonicContact NZ-OD1 3.69Å; K59-D82 IonicContact NZ-OD2 2.67Å; K59-D82 PolarHBondContact NZ-OD2 2.84Å
60A97.5Very high96Very high3 Ų362 Ų623%0.02534%0.335CS..EExtended strand (participates in β ladder)trans-104141.8177.700000111.2I40 Y52 F56 M73 E74 L75I40-A60 HydrophobicContact CG2-CB 3.78Å; Y52-A60 HydrophobicContact CE1-CB 4.31Å; Y52-A60 VanDerWaalsContact CE1-O 3.3Å; Y52-A60 WeakPolarHBondContact CE1-O 3.14Å; F56-A60 HydrophobicContact CB-CB 4.44Å; F56-A60 PolarHBondContact O-N 3.45Å; A60-M73 HydrophobicContact CB-CG 4.26Å; A60-M73 HydrophobicContact CB-SD 4.32Å; A60-E74 CarbonylContact C-O 3.6Å; A60-E74 WeakPolarHBondContact CA-O 3.45Å; A60-L75 HydrophobicContact CB-CD2 3.93Å
61T98.1Very high96Very high60 Ų6059.5 Ų59.537%0.36832%0.319SS..EExtended strand (participates in β ladder)trans-120.7120.9167.4-58.10000108.4M73 E74T61-M73 CarbonylContact O-C 3.53Å; T61-M73 WeakPolarHBondContact O-CA 3.47Å; T61-E74 PolarHBondContact N-O 2.85Å; T61-E74 PolarHBondContact O-N 2.81Å
62L98.3Very high96Very high11 Ų1155.5 Ų55.56%0.05830%0.302CS..EExtended strand (participates in β ladder)trans-96.9136.7177.8-51.9-175.7000110.5W28 I43 T50 Y52 H72 M73W28-L62 VanDerWaalsContact CD1-CD2 3.44Å; W28-L62 HydrophobicContact CG-CD2 3.99Å; I43-L62 HydrophobicContact CB-CB 4.11Å; I43-L62 HydrophobicContact CB-CD1 4.33Å; I43-L62 HydrophobicContact CD1-CB 4.1Å; I43-L62 HydrophobicContact CG2-CB 4.45Å; T50-L62 HydrophobicContact CG2-CB 3.95Å; Y52-L62 HydrophobicContact CE1-CD1 4.09Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 2.85Å; L62-H72 WeakPolarHBondContact CA-O 3.2Å; L62-M73 HydrophobicContact CD2-CB 3.76Å; L62-M73 HydrophobicContact CD2-CG 3.69Å; L62-M73 HydrophobicContact CD2-SD 4.15Å
63A97.8Very high96.1Very high46 Ų4652.7 Ų52.738%0.3829%0.291SS..EExtended strand (participates in β ladder)trans-141.7162.4177.400000111.1H72A63-H72 HydrophobicContact CB-CB 4.47Å; A63-H72 PolarHBondContact N-O 3.46Å; A63-H72 PolarHBondContact O-N 3.17Å
64V97.4Very high96.1Very high37 Ų3754.3 Ų54.322%0.22430%0.297CS..EExtended strand (participates in β ladder)trans-134.2141.3176.2-70.80000110.6F21 I43 P45 T70 A71F21-V64 HydrophobicContact CE1-CB 4.35Å; F21-V64 HydrophobicContact CE1-CG1 4.34Å; F21-V64 HydrophobicContact CZ-CG1 4.05Å; I43-V64 HydrophobicContact CD1-CB 4.5Å; I43-V64 HydrophobicContact CD1-CG1 3.8Å; I43-V64 HydrophobicContact CD1-CG2 4.25Å; I43-V64 HydrophobicContact CG1-CG1 3.94Å; I43-V64 HydrophobicContact CG2-CG1 3.8Å; P45-V64 HydrophobicContact CB-CG1 4.03Å; P45-V64 HydrophobicContact CG-CG1 4.24Å; V64-T70 WeakPolarHBondContact CA-O 3.05Å; V64-A71 HydrophobicContact CG1-CB 4.28Å
65D96.6Very high96.2Very high58 Ų5847.6 Ų47.631%0.3127%0.266SS..EExtended strand (participates in β ladder)trans-112.8105.1164.51749.6000108.3S67 S68 S69 T70D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.87Å; D65-S67 WeakPolarHBondContact OD1-CB 3.05Å; D65-S67 PolarHBondContact OD1-N 2.99Å; D65-S67 PolarHBondContact OD1-OG 2.83Å; D65-S67 PolarHBondContact OD2-OG 3.45Å; D65-S68 PolarHBondContact OD1-N 3.1Å; D65-S68 WeakPolarHBondContact OD2-CB 3.43Å; D65-S68 PolarHBondContact OD2-OG 3.49Å; D65-S69 PolarHBondContact O-N 2.9Å; D65-S69 VanDerWaalsContact O-N 3.11Å; D65-T70 PolarHBondContact N-O 3.43Å; D65-T70 PolarHBondContact O-N 3.14Å
66K94.9Very high96.4Very high112 Ų11246.8 Ų46.849%0.48726%0.259SS..THydrogen-bonded Turntrans-68.9-30-178.1-55.7-175.3-162.2-176.80111.9T22 P45 Y46 S68 S69T22-K66 HydrophobicContact CG2-CD 4.32Å; T22-K66 HydrophobicContact CG2-CG 4.49Å; P45-K66 WeakPolarHBondContact O-CE 3.28Å; Y46-K66 PolarHBondContact O-NZ 2.79Å; K66-S68 VanDerWaalsContact C-N 3.33Å; K66-S68 PolarHBondContact O-N 2.71Å; K66-S69 PolarHBondContact O-N 2.99Å
67S94.1Very high96.4Very high111 Ų11150.1 Ų50.178%0.77628%0.283SS*.THydrogen-bonded Turntrans-67.6-36.7-176.673.30000111.9D65D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 2.87Å; D65-S67 WeakPolarHBondContact OD1-CB 3.05Å; D65-S67 PolarHBondContact OD1-N 2.99Å; D65-S67 PolarHBondContact OD1-OG 2.83Å; D65-S67 PolarHBondContact OD2-OG 3.45Å
68S96.1Very high96.6Very high40 Ų4043.5 Ų43.528%0.2826%0.255SS..THydrogen-bonded Turntrans-98-1.3177.767.60000113.8D65 K66 T70D65-S68 PolarHBondContact OD1-N 3.1Å; D65-S68 WeakPolarHBondContact OD2-CB 3.43Å; D65-S68 PolarHBondContact OD2-OG 3.49Å; K66-S68 VanDerWaalsContact C-N 3.33Å; K66-S68 PolarHBondContact O-N 2.71Å; S68-T70 VanDerWaalsContact C-N 3.29Å; S68-T70 PolarHBondContact O-N 3.17Å; S68-T70 PolarHBondContact O-OG1 3.23Å; S68-T70 WeakPolarHBondContact OG-CB 3.4Å; S68-T70 PolarHBondContact OG-OG1 2.9Å
69S96.4Very high96.7Very high40 Ų4044.5 Ų44.528%0.2825%0.253SS..THydrogen-bonded Turntrans5443.7-172.1-62.60000112.8A16 D65 K66A16-S69 PolarHBondContact N-O 3.24Å; D65-S69 PolarHBondContact O-N 2.9Å; D65-S69 VanDerWaalsContact O-N 3.11Å; K66-S69 PolarHBondContact O-N 2.99Å
70T97.4Very high96.6Very high13 Ų1346.6 Ų46.68%0.0827%0.272CS..EExtended strand (participates in β ladder)trans-118.2131.2-174.9-49.80000110.8C14 V64 D65 S68 H72C14-T70 CarbonylContact O-C 3.52Å; C14-T70 WeakPolarHBondContact O-CA 3.35Å; V64-T70 WeakPolarHBondContact CA-O 3.05Å; D65-T70 PolarHBondContact N-O 3.43Å; D65-T70 PolarHBondContact O-N 3.14Å; S68-T70 VanDerWaalsContact C-N 3.29Å; S68-T70 PolarHBondContact O-N 3.17Å; S68-T70 PolarHBondContact O-OG1 3.23Å; S68-T70 WeakPolarHBondContact OG-CB 3.4Å; S68-T70 PolarHBondContact OG-OG1 2.9Å; T70-H72 WeakPolarHBondContact CG2-CE1 3.24Å
71A97.4Very high96.3Very high0 Ų054 Ų540%031%0.307CS..EExtended strand (participates in β ladder)trans-96.1147.716500000109.9S13 C14 F21 M26 W28 V64S13-A71 CarbonylContact C-O 3.51Å; S13-A71 WeakPolarHBondContact CA-O 2.99Å; C14-A71 PolarHBondContact N-O 3.3Å; C14-A71 PolarHBondContact O-N 3.13Å; F21-A71 HydrophobicContact CE2-CB 4.38Å; F21-A71 HydrophobicContact CZ-CB 4.02Å; M26-A71 HydrophobicContact CB-CB 4.06Å; M26-A71 HydrophobicContact CG-CB 3.62Å; W28-A71 HydrophobicContact CZ2-CB 4.14Å; V64-A71 HydrophobicContact CG1-CB 4.28Å
72H97.6Very high96.1Very high25 Ų2551.9 Ų51.912%0.11629%0.293CS..EExtended strand (participates in β ladder)trans-128.5146.6177.8-56-71.1000110.8K11 I12 S13 L62 A63 T70K11-H72 VanDerWaalsContact CE-CB 3.5Å; K11-H72 WeakPolarHBondContact CE-ND1 3Å; K11-H72 HydrophobicContact CG-CB 4.39Å; I12-H72 CarbonylContact O-C 3.5Å; I12-H72 VanDerWaalsContact O-CA 3.29Å; I12-H72 WeakPolarHBondContact O-CA 3.25Å; S13-H72 WeakPolarHBondContact CB-ND1 3.38Å; S13-H72 PolarHBondContact OG-CE1 3.39Å; S13-H72 PolarHBondContact OG-ND1 3.14Å; L62-H72 WeakPolarHBondContact CA-O 3.2Å; A63-H72 HydrophobicContact CB-CB 4.47Å; A63-H72 PolarHBondContact N-O 3.46Å; A63-H72 PolarHBondContact O-N 3.17Å; T70-H72 WeakPolarHBondContact CG2-CE1 3.24Å
73M97.9Very high96Very high0 Ų052.5 Ų52.50%030%0.298CS..EExtended strand (participates in β ladder)trans-127.1120.5166.9175176.171.900108.3I12 W28 I40 A60 T61 L62 L75 Y86I12-M73 HydrophobicContact CD1-CE 3.95Å; I12-M73 PolarHBondContact N-O 3.08Å; I12-M73 PolarHBondContact O-N 2.83Å; W28-M73 HydrophobicContact CB-SD 3.81Å; W28-M73 HydrophobicContact CD2-CB 3.65Å; W28-M73 HydrophobicContact CD2-CE 4.27Å; W28-M73 HydrophobicContact CD2-CG 4.44Å; W28-M73 HydrophobicContact CD2-SD 4.01Å; W28-M73 HydrophobicContact CE3-CB 3.9Å; W28-M73 HydrophobicContact CE3-CE 3.71Å; W28-M73 HydrophobicContact CE3-SD 4.08Å; W28-M73 HydrophobicContact CG-CB 4.17Å; W28-M73 HydrophobicContact CG-SD 3.92Å; W28-M73 HydrophobicContact CH2-CB 4.08Å; W28-M73 HydrophobicContact CZ2-CB 3.86Å; W28-M73 HydrophobicContact CZ3-CB 4.11Å; W28-M73 HydrophobicContact CZ3-CE 4.25Å; I40-M73 HydrophobicContact CD1-CE 4.05Å; I40-M73 HydrophobicContact CD1-SD 3.78Å; I40-M73 HydrophobicContact CG2-SD 3.95Å; A60-M73 HydrophobicContact CB-CG 4.26Å; A60-M73 HydrophobicContact CB-SD 4.32Å; T61-M73 CarbonylContact O-C 3.53Å; T61-M73 WeakPolarHBondContact O-CA 3.47Å; L62-M73 HydrophobicContact CD2-CB 3.76Å; L62-M73 HydrophobicContact CD2-CG 3.69Å; L62-M73 HydrophobicContact CD2-SD 4.15Å; M73-L75 HydrophobicContact CE-CD1 4.06Å; M73-L75 HydrophobicContact CE-CD2 4.29Å; M73-L75 HydrophobicContact CE-CG 4.12Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.36Å; M73-L75 HydrophobicContact SD-CD2 4.17Å; M73-L75 HydrophobicContact SD-CG 4.48Å; M73-Y86 HydrophobicContact CE-CD1 3.46Å; M73-Y86 VanDerWaalsContact CE-CD1 3.46Å; M73-Y86 HydrophobicContact CE-CE1 4.04Å; M73-Y86 HydrophobicContact CE-CG 4.08Å
74E97.8Very high95.9Very high90 Ų9050.3 Ų50.342%0.42128%0.28SS..EExtended strand (participates in β ladder)trans-96.9123.1169.6-171.3-178.1167.400109.1V10 A60 T61V10-E74 CarbonylContact O-C 3.52Å; V10-E74 VanDerWaalsContact O-CA 3.28Å; V10-E74 WeakPolarHBondContact O-CA 3.4Å; A60-E74 CarbonylContact C-O 3.6Å; A60-E74 WeakPolarHBondContact CA-O 3.45Å; T61-E74 PolarHBondContact N-O 2.85Å; T61-E74 PolarHBondContact O-N 2.81Å
75L96.8Very high95.9Very high1 Ų149.8 Ų49.81%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-103132.2170.9-63.5166.7000108.2S9 V10 I12 A60 M73 L78 Y86 L104S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 3.29Å; S9-L75 WeakPolarHBondContact CB-O 3.39Å; V10-L75 HydrophobicContact CG1-CB 4.09Å; V10-L75 HydrophobicContact CG1-CD1 4.26Å; V10-L75 PolarHBondContact N-O 2.84Å; V10-L75 PolarHBondContact O-N 3.34Å; I12-L75 HydrophobicContact CD1-CD1 4.24Å; A60-L75 HydrophobicContact CB-CD2 3.93Å; M73-L75 HydrophobicContact CE-CD1 4.06Å; M73-L75 HydrophobicContact CE-CD2 4.29Å; M73-L75 HydrophobicContact CE-CG 4.12Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.36Å; M73-L75 HydrophobicContact SD-CD2 4.17Å; M73-L75 HydrophobicContact SD-CG 4.48Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CD1-CD2 4.33Å; L75-Y86 HydrophobicContact CD1-CD1 4.19Å; L75-Y86 HydrophobicContact CD1-CE1 3.53Å; L75-Y86 HydrophobicContact CD1-CE2 3.99Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.41Å; L75-L104 HydrophobicContact CD1-CD2 4.09Å
76R96.3Very high95.9Very high110 Ų11047.1 Ų47.142%0.41526%0.262SS..  trans-116.5157.2-176.867.9-171.1178.2-174.23.7113.3S9 G58 K59 L78S9-R76 WeakPolarHBondContact OG-CA 3.15Å; S9-R76 WeakPolarHBondContact OG-CB 3.35Å; G58-R76 VanDerWaalsContact CA-NH2 3.31Å; G58-R76 PolarHBondContact O-NE 2.8Å; G58-R76 PolarHBondContact O-NH2 2.85Å; K59-R76 VanDerWaalsContact CD-O 3.24Å; K59-R76 WeakPolarHBondContact CD-O 3.43Å; K59-R76 WeakPolarHBondContact CE-O 3.28Å; K59-R76 PolarHBondContact NZ-O 2.88Å; K59-R76 PolarHBondContact O-N 3.22Å; K59-R76 VanDerWaalsContact O-N 3.1Å; R76-L78 VanDerWaalsContact C-N 3.31Å; R76-L78 PolarHBondContact O-N 3.13Å
77S95.6Very high96Very high76 Ų7643.9 Ų43.953%0.53125%0.247SC..SBendtrans52.950.1174.8-51.80000111.6D8 K59D8-S77 PolarHBondContact O-N 3Å; K59-S77 PolarHBondContact NZ-O 2.9Å
78L95.7Very high96.1Very high2 Ų239.2 Ų39.21%0.0122%0.215CC..  trans-60.8145.1-170.3-70.9170.3000112.5V4 P6 G7 D8 V10 L75 R76 D82 L104 V106V4-L78 HydrophobicContact CB-CD1 4.39Å; V4-L78 HydrophobicContact CG2-CD1 3.51Å; P6-L78 CarbonylContact C-O 3.51Å; P6-L78 WeakPolarHBondContact CA-O 3.3Å; G7-L78 PolarHBondContact N-O 2.96Å; D8-L78 WeakPolarHBondContact O-CB 3.38Å; D8-L78 VanDerWaalsContact O-CG 3.28Å; D8-L78 WeakPolarHBondContact O-CG 3.5Å; D8-L78 PolarHBondContact O-N 2.87Å; V10-L78 HydrophobicContact CB-CD1 4.04Å; V10-L78 HydrophobicContact CG1-CD1 3.81Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CD1-CD2 4.33Å; R76-L78 VanDerWaalsContact C-N 3.31Å; R76-L78 PolarHBondContact O-N 3.13Å; L78-D82 WeakPolarHBondContact CA-OD2 3.44Å; L78-D82 HydrophobicContact CD2-CB 3.67Å; L78-L104 HydrophobicContact CD1-CD2 4.25Å; L78-L104 HydrophobicContact CD2-CD2 4.09Å; L78-V106 HydrophobicContact CB-CG1 4.06Å; L78-V106 HydrophobicContact CB-CG2 4.06Å; L78-V106 HydrophobicContact CD1-CG2 4.38Å
79T94.9Very high96.1Very high60 Ų6037.4 Ų37.437%0.36820%0.202SC..  trans-124168173.369.50000109.4E81 D82 V106T79-E81 PolarHBondContact O-N 2.97Å; T79-E81 VanDerWaalsContact O-N 3.11Å; T79-E81 PolarHBondContact OG1-N 2.83Å; T79-D82 PolarHBondContact N-OD2 2.89Å; T79-D82 WeakPolarHBondContact O-CB 3.48Å; T79-D82 PolarHBondContact O-N 2.72Å; T79-D82 PolarHBondContact OG1-OD2 2.93Å; T79-V106 VanDerWaalsContact O-CB 3.28Å; T79-V106 WeakPolarHBondContact O-CB 3.4Å; T79-V106 WeakPolarHBondContact O-CG1 3.43Å; T79-V106 WeakPolarHBondContact O-CG2 3.1Å
80S93.3Very high95.9Very high83 Ų8337 Ų3758%0.5819%0.194SC*.G310 helixtrans-55.6-29.1176.551.40000112.9D82 S83S80-D82 PolarHBondContact O-N 2.94Å; S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.3Å; S80-S83 PolarHBondContact O-N 2.72Å; S80-S83 VanDerWaalsContact O-N 3.13Å; S80-S83 PolarHBondContact O-OG 3.46Å
81E91.6Very high95.3Very high160 Ų16037.6 Ų37.675%0.74820%0.197SC*.G310 helixtrans-68.2-20.9177.8-60.1-175.1173.200113.6T79 S83T79-E81 PolarHBondContact O-N 2.97Å; T79-E81 VanDerWaalsContact O-N 3.11Å; T79-E81 PolarHBondContact OG1-N 2.83Å; E81-S83 PolarHBondContact O-N 3.15Å
82D94.1Very high94.1Very high15 Ų1541.9 Ų41.98%0.0822%0.22CC..G310 helixtrans-79-1174.3-59.2-56.8000112.1K59 L78 T79 S80 A84 Y86 V106K59-D82 WeakPolarHBondContact CE-OD1 3.19Å; K59-D82 WeakPolarHBondContact CE-OD2 3.33Å; K59-D82 IonicContact NZ-OD1 3.69Å; K59-D82 IonicContact NZ-OD2 2.67Å; K59-D82 PolarHBondContact NZ-OD2 2.84Å; L78-D82 WeakPolarHBondContact CA-OD2 3.44Å; L78-D82 HydrophobicContact CD2-CB 3.67Å; T79-D82 PolarHBondContact N-OD2 2.89Å; T79-D82 WeakPolarHBondContact O-CB 3.48Å; T79-D82 PolarHBondContact O-N 2.72Å; T79-D82 PolarHBondContact OG1-OD2 2.93Å; S80-D82 PolarHBondContact O-N 2.94Å; D82-A84 PolarHBondContact O-N 2.96Å; D82-A84 VanDerWaalsContact O-N 3.14Å; D82-Y86 WeakPolarHBondContact O-CE2 3.33Å; D82-Y86 PolarHBondContact O-OH 3.27Å; D82-V106 HydrophobicContact CB-CG2 4.23Å
83S95.6Very high92.8Very high23 Ų2345.2 Ų45.216%0.16125%0.246CC..  trans-67.9112.3172.9-57.70000110.4S80 E81 L104 V106S80-S83 VanDerWaalsContact O-CB 3.28Å; S80-S83 WeakPolarHBondContact O-CB 3.3Å; S80-S83 PolarHBondContact O-N 2.72Å; S80-S83 VanDerWaalsContact O-N 3.13Å; S80-S83 PolarHBondContact O-OG 3.46Å; E81-S83 PolarHBondContact O-N 3.15Å; S83-L104 WeakPolarHBondContact CA-O 3.25Å; S83-V106 PolarHBondContact OG-N 2.75Å
84A96.3Very high91.5Very high0 Ų053.8 Ų53.80%028%0.279CS..EExtended strand (participates in β ladder)trans-163.8172.8-172.300000111.4M30 Q31 D82 Y86 L104M30-A84 HydrophobicContact CB-CB 4.28Å; M30-A84 HydrophobicContact CE-CB 3.87Å; Q31-A84 WeakPolarHBondContact O-CA 3.33Å; Q31-A84 VanDerWaalsContact O-CB 3.32Å; Q31-A84 WeakPolarHBondContact O-CB 3.41Å; D82-A84 PolarHBondContact O-N 2.96Å; D82-A84 VanDerWaalsContact O-N 3.14Å; A84-Y86 HydrophobicContact CB-CD2 4.38Å; A84-Y86 HydrophobicContact CB-CE2 3.87Å; A84-L104 PolarHBondContact N-O 2.67Å; A84-L104 VanDerWaalsContact N-O 3.11Å; A84-L104 PolarHBondContact O-N 3.4Å
85V96.9Very high90.6Very high26 Ų2653.8 Ų53.816%0.15828%0.278CS..EExtended strand (participates in β ladder)trans-94.6126.1160.7-169.60000108.7M30 Q31 Y87M30-V85 CarbonylContact C-O 3.59Å; M30-V85 WeakPolarHBondContact CA-O 3.31Å; Q31-V85 PolarHBondContact N-O 2.83Å; Q31-V85 PolarHBondContact O-N 2.86Å; V85-Y87 HydrophobicContact CB-CE2 3.81Å; V85-Y87 HydrophobicContact CG1-CD1 4.41Å; V85-Y87 HydrophobicContact CG1-CD2 4.37Å; V85-Y87 HydrophobicContact CG1-CE1 3.72Å; V85-Y87 HydrophobicContact CG1-CE2 3.69Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.2Å
86Y97.3Very high89.7Confident2 Ų257.1 Ų57.11%0.00830%0.296CS..EExtended strand (participates in β ladder)trans-104.4125.6179-69.4-88.6000110.4I12 V29 M30 I40 M73 L75 D82 A84 G101 T102 L104I12-Y86 HydrophobicContact CD1-CD1 4.31Å; I12-Y86 HydrophobicContact CD1-CD2 3.72Å; I12-Y86 HydrophobicContact CD1-CE2 4.47Å; I12-Y86 HydrophobicContact CD1-CG 3.61Å; V29-Y86 CarbonylContact O-C 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.37Å; M30-Y86 HydrophobicContact CB-CD1 3.69Å; M30-Y86 HydrophobicContact CB-CE1 3.59Å; M30-Y86 HydrophobicContact CB-CG 4.48Å; M30-Y86 HydrophobicContact CG-CE1 4.42Å; M30-Y86 HydrophobicContact SD-CE1 4.12Å; I40-Y86 HydrophobicContact CD1-CD1 3.74Å; I40-Y86 HydrophobicContact CD1-CE1 3.76Å; M73-Y86 HydrophobicContact CE-CD1 3.46Å; M73-Y86 VanDerWaalsContact CE-CD1 3.46Å; M73-Y86 HydrophobicContact CE-CE1 4.04Å; M73-Y86 HydrophobicContact CE-CG 4.08Å; L75-Y86 HydrophobicContact CD1-CD1 4.19Å; L75-Y86 HydrophobicContact CD1-CE1 3.53Å; L75-Y86 HydrophobicContact CD1-CE2 3.99Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.41Å; D82-Y86 WeakPolarHBondContact O-CE2 3.33Å; D82-Y86 PolarHBondContact O-OH 3.27Å; A84-Y86 HydrophobicContact CB-CD2 4.38Å; A84-Y86 HydrophobicContact CB-CE2 3.87Å; Y86-G101 CarbonylContact O-C 3.41Å; Y86-G101 VanDerWaalsContact O-CA 3.25Å; Y86-G101 WeakPolarHBondContact O-CA 3.32Å; Y86-T102 PolarHBondContact N-O 3.46Å; Y86-T102 PolarHBondContact O-N 2.96Å; Y86-L104 HydrophobicContact CD2-CB 3.88Å; Y86-L104 HydrophobicContact CD2-CD2 4.34Å; Y86-L104 HydrophobicContact CE2-CB 3.72Å; Y86-L104 HydrophobicContact CE2-CD2 3.62Å; Y86-L104 HydrophobicContact CE2-CG 4.3Å
87Y96.8Very high89.4Confident44 Ų4459 Ų5917%0.17330%0.304CS..EExtended strand (participates in β ladder)trans-113.6146.4-179.5-54.8-87.1000110.3W28 V29 Q31 L37 V85 W98W28-Y87 WeakPolarHBondContact CA-O 3.35Å; V29-Y87 PolarHBondContact N-O 3.34Å; V29-Y87 PolarHBondContact O-N 2.87Å; Q31-Y87 HydrophobicContact CB-CE2 3.82Å; Q31-Y87 PolarHBondContact OE1-OH 2.97Å; L37-Y87 HydrophobicContact CD2-CD2 4.45Å; L37-Y87 HydrophobicContact CD2-CE2 4.33Å; V85-Y87 HydrophobicContact CB-CE2 3.81Å; V85-Y87 HydrophobicContact CG1-CD1 4.41Å; V85-Y87 HydrophobicContact CG1-CD2 4.37Å; V85-Y87 HydrophobicContact CG1-CE1 3.72Å; V85-Y87 HydrophobicContact CG1-CE2 3.69Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.2Å; Y87-W98 HydrophobicContact CG-CE3 4.1Å; Y87-W98 HydrophobicContact CG-CZ3 4.33Å
88C96.4Very high89.3Confident14 Ų1460.2 Ų60.210%0.09530%0.297CS..EExtended strand (participates in β ladder)trans-101.7146.6160.160.70000109.4C14 M26 N27 W28 W98 G99C14-C88 HydrophobicContact CB-CB 3.41Å; C14-C88 VanDerWaalsContact CB-CB 3.41Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.33Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.18Å; M26-C88 HydrophobicContact CG-CB 4.39Å; M26-C88 HydrophobicContact SD-CB 3.72Å; N27-C88 CarbonylContact O-C 3.6Å; N27-C88 WeakPolarHBondContact O-CA 3.38Å; W28-C88 HydrophobicContact CE3-CB 4.28Å; W28-C88 HydrophobicContact CH2-CB 4.35Å; W28-C88 HydrophobicContact CZ3-CB 4.18Å; C88-W98 WeakPolarHBondContact O-CA 3.22Å; C88-G99 PolarHBondContact O-N 3.47Å
89A95.5Very high89.2Confident1 Ų161.5 Ų61.51%0.00831%0.311CS..EExtended strand (participates in β ladder)trans-140.5133.9176.400000111.6N27 F95 Y97 W98N27-A89 HydrophobicContact CB-CB 4.49Å; N27-A89 WeakPolarHBondContact CB-O 3.35Å; N27-A89 PolarHBondContact N-O 2.8Å; N27-A89 PolarHBondContact O-N 2.78Å; A89-F95 HydrophobicContact CB-CD1 3.67Å; A89-F95 HydrophobicContact CB-CE1 4.36Å; A89-Y97 CarbonylContact C-O 3.59Å; A89-Y97 WeakPolarHBondContact CA-O 3.21Å; A89-W98 HydrophobicContact CB-CD2 3.8Å; A89-W98 HydrophobicContact CB-CE3 4.09Å; A89-W98 HydrophobicContact CB-CG 4.17Å; A89-W98 HydrophobicContact CB-CZ2 4.24Å; A89-W98 HydrophobicContact CB-CZ3 4.43Å
90R92.9Very high89.1Confident31 Ų3167.7 Ų67.712%0.11734%0.336CS..EExtended strand (participates in β ladder)trans-75.9139.7174.2-170.5-163.376.2173.511.3109.6Y19 Y24 D96 Y97Y19-R90 HydrophobicContact CE2-CG 4.02Å; Y24-R90 HydrophobicContact CD2-CG 4.48Å; Y24-R90 HydrophobicContact CG-CG 4Å; R90-D96 IonicContact NH2-OD2 3.02Å; R90-D96 PolarHBondContact NH2-OD2 3.44Å; R90-D96 PolarHBondContact O-N 2.84Å; R90-Y97 VanDerWaalsContact CZ-CE2 3.43Å; R90-Y97 PolarHBondContact N-O 3.34Å
91D84.1Confident89.1Confident27 Ų2765.1 Ų65.114%0.14432%0.322CS..EExtended strand (participates in β ladder)trans-128.9121.5176.2176.225.7000111.4F25 N27 R42 S93F25-D91 HydrophobicContact CB-CB 4.17Å; F25-D91 PolarHBondContact N-O 3.5Å; F25-D91 VanDerWaalsContact N-O 3.13Å; F25-D91 PolarHBondContact O-N 2.92Å; N27-D91 WeakPolarHBondContact ND2-CB 3.48Å; R42-D91 IonicContact NH1-OD2 3.49Å; R42-D91 PolarHBondContact NH1-OD2 3.22Å; D91-S93 PolarHBondContact OD1-N 2.77Å
92D72.3Confident89.4Confident89 Ų8959.7 Ų59.748%0.47630%0.3SS..SBendtrans-112.7-43.8172.1-171.66000110.1Y24Y24-D92 HydrophobicContact CD1-CB 3.56Å; Y24-D92 HydrophobicContact CE1-CB 3.55Å; Y24-D92 WeakPolarHBondContact CE1-OD1 2.88Å; Y24-D92 VanDerWaalsContact CE1-OD2 3.3Å; Y24-D92 WeakPolarHBondContact CE1-OD2 3.32Å
93S71.1Confident89.5Confident95 Ų9561.5 Ų61.566%0.66431%0.311SS*.SBendtrans-156.4-18.2170.4-66.20000112.4D91D91-S93 PolarHBondContact OD1-N 2.77Å
94Y70.9Confident89.5Confident180 Ų18060.4 Ų60.471%0.70630%0.304SS*.SBendtrans-139.4171.5168.3-61.9-81.9000109.7D96Y94-D96 PolarHBondContact O-N 3.27Å
95F77.9Confident89.4Confident90 Ų9062.7 Ų62.740%0.39532%0.318SS..EExtended strand (participates in β ladder)trans-7474.3171.8-65.8-71.3000111.5N27 W39 A89 W98N27-F95 HydrophobicContact CB-CD1 4.25Å; N27-F95 HydrophobicContact CB-CE1 3.51Å; N27-F95 HydrophobicContact CB-CZ 4.47Å; W39-F95 AromaticContact CD1-CZ 3.94Å; A89-F95 HydrophobicContact CB-CD1 3.67Å; A89-F95 HydrophobicContact CB-CE1 4.36Å; F95-W98 HydrophobicContact CB-CZ2 3.78Å; F95-W98 HydrophobicContact CD1-CZ2 4.26Å; F95-W98 HydrophobicContact CD2-CZ2 4.31Å; F95-W98 AromaticContact CG-CZ2 3.9Å; F95-W98 HydrophobicContact CG-CZ2 3.9Å; F95-W98 PolarHBondContact O-NE1 3.11Å
96D78.9Confident89.3Confident71 Ų7161.7 Ų61.738%0.3831%0.312SS..EExtended strand (participates in β ladder)trans-73.5-33.2-169.3-57.1-29000113.5R90 Y94R90-D96 IonicContact NH2-OD2 3.02Å; R90-D96 PolarHBondContact NH2-OD2 3.44Å; R90-D96 PolarHBondContact O-N 2.84Å; Y94-D96 PolarHBondContact O-N 3.27Å
97Y88.5Confident89.1Confident150 Ų15064.1 Ų64.159%0.58833%0.329SS*.EExtended strand (participates in β ladder)trans-138128.7-174.6-65.4-87.2000111A89 R90A89-Y97 CarbonylContact C-O 3.59Å; A89-Y97 WeakPolarHBondContact CA-O 3.21Å; R90-Y97 VanDerWaalsContact CZ-CE2 3.43Å; R90-Y97 PolarHBondContact N-O 3.34Å
98W93.6Very high88.4Confident102 Ų10269.3 Ų69.339%0.38637%0.371SS..EExtended strand (participates in β ladder)trans-112.8139.8-180-67.770000110.3V29 L37 Y87 C88 A89 F95V29-W98 HydrophobicContact CB-CH2 4.09Å; V29-W98 HydrophobicContact CB-CZ3 3.81Å; V29-W98 HydrophobicContact CG1-CH2 4.03Å; V29-W98 HydrophobicContact CG1-CZ3 3.97Å; V29-W98 HydrophobicContact CG2-CH2 3.78Å; V29-W98 HydrophobicContact CG2-CZ3 3.91Å; L37-W98 HydrophobicContact CD1-CH2 3.98Å; L37-W98 HydrophobicContact CD1-CZ3 4.36Å; Y87-W98 HydrophobicContact CG-CE3 4.1Å; Y87-W98 HydrophobicContact CG-CZ3 4.33Å; C88-W98 WeakPolarHBondContact O-CA 3.22Å; A89-W98 HydrophobicContact CB-CD2 3.8Å; A89-W98 HydrophobicContact CB-CE3 4.09Å; A89-W98 HydrophobicContact CB-CG 4.17Å; A89-W98 HydrophobicContact CB-CZ2 4.24Å; A89-W98 HydrophobicContact CB-CZ3 4.43Å; F95-W98 HydrophobicContact CB-CZ2 3.78Å; F95-W98 HydrophobicContact CD1-CZ2 4.26Å; F95-W98 HydrophobicContact CD2-CZ2 4.31Å; F95-W98 AromaticContact CG-CZ2 3.9Å; F95-W98 HydrophobicContact CG-CZ2 3.9Å; F95-W98 PolarHBondContact O-NE1 3.11Å
99G93.5Very high88Confident28 Ų2872.1 Ų72.129%0.28939%0.385SS..  trans-66.8162.3165.200000111.2C88 G101C88-G99 PolarHBondContact O-N 3.47Å; G99-G101 PolarHBondContact O-N 3.49Å; G99-G101 VanDerWaalsContact O-N 3.08Å
100Q93.7Very high87.6Confident191 Ų19175.8 Ų75.889%0.89341%0.405SS*.  trans-63.3-16.2180-64.9-62.3-32.600113.9
101G94.5Very high87.4Confident28 Ų2878.3 Ų78.329%0.28942%0.421SS..  trans87.6149.5-17800000112.9Y86 G99Y86-G101 CarbonylContact O-C 3.41Å; Y86-G101 VanDerWaalsContact O-CA 3.25Å; Y86-G101 WeakPolarHBondContact O-CA 3.32Å; G99-G101 PolarHBondContact O-N 3.49Å; G99-G101 VanDerWaalsContact O-N 3.08Å
102T96Very high87.5Confident47 Ų4781.3 Ų81.329%0.28844%0.437SS..EExtended strand (participates in β ladder)trans-117.7114.9174.8-60.80000108.5I12 Y86 L104I12-T102 HydrophobicContact CG2-CG2 4.42Å; Y86-T102 PolarHBondContact N-O 3.46Å; Y86-T102 PolarHBondContact O-N 2.96Å; T102-L104 PolarHBondContact O-N 2.63Å
103T96.2Very high88.5Confident52 Ų5280.8 Ų80.832%0.31944%0.435SS..EExtended strand (participates in β ladder)trans-71.9121.6171.5-480000109.7P1 E2P1-T103 CarbonylContact C-O 3.45Å; P1-T103 WeakPolarHBondContact CA-O 3.41Å; E2-T103 PolarHBondContact N-O 2.62Å
104L95.7Very high89.7Confident0 Ų079.9 Ų79.90%042%0.42CS..EExtended strand (participates in β ladder)trans-110132.9170.7-178.166.9000108.7E2 V4 V10 L75 L78 S83 A84 Y86 T102 V106E2-L104 HydrophobicContact CB-CD1 3.99Å; E2-L104 HydrophobicContact CG-CD1 4.4Å; V4-L104 HydrophobicContact CG1-CD1 4.24Å; V4-L104 HydrophobicContact CG2-CD1 3.77Å; V4-L104 HydrophobicContact CG2-CG 4.47Å; V10-L104 HydrophobicContact CB-CD1 4.43Å; V10-L104 HydrophobicContact CG1-CD1 4.02Å; V10-L104 HydrophobicContact CG1-CD2 3.85Å; V10-L104 HydrophobicContact CG2-CD1 4.22Å; L75-L104 HydrophobicContact CD1-CD2 4.09Å; L78-L104 HydrophobicContact CD1-CD2 4.25Å; L78-L104 HydrophobicContact CD2-CD2 4.09Å; S83-L104 WeakPolarHBondContact CA-O 3.25Å; A84-L104 PolarHBondContact N-O 2.67Å; A84-L104 VanDerWaalsContact N-O 3.11Å; A84-L104 PolarHBondContact O-N 3.4Å; Y86-L104 HydrophobicContact CD2-CB 3.88Å; Y86-L104 HydrophobicContact CD2-CD2 4.34Å; Y86-L104 HydrophobicContact CE2-CB 3.72Å; Y86-L104 HydrophobicContact CE2-CD2 3.62Å; Y86-L104 HydrophobicContact CE2-CG 4.3Å; T102-L104 PolarHBondContact O-N 2.63Å; L104-V106 HydrophobicContact CD2-CG2 4.35Å; L104-V106 HydrophobicContact CG-CG2 4.27Å
105T95.9Very high91Very high49 Ų4972.7 Ų72.730%0.30140%0.399SS..EExtended strand (participates in β ladder)trans-124.9122.9174.2-57.90000108.8E2 L3 V4E2-T105 PolarHBondContact O-N 3.36Å; L3-T105 WeakPolarHBondContact CA-O 3.32Å; L3-T105 HydrophobicContact CD1-CG2 3.89Å; V4-T105 PolarHBondContact N-O 3.44Å
106V94.9Very high92Very high5 Ų571.4 Ų71.43%0.0340%0.4CS..EExtended strand (participates in β ladder)trans-108.1107.2178.7-170.10000108.5V4 P6 L78 T79 D82 S83 L104V4-V106 HydrophobicContact CG2-CB 4.34Å; V4-V106 HydrophobicContact CG2-CG1 4.37Å; V4-V106 HydrophobicContact CG2-CG2 3.79Å; V4-V106 WeakPolarHBondContact O-CA 3.33Å; P6-V106 HydrophobicContact CB-CG1 4.46Å; P6-V106 HydrophobicContact CG-CG1 4.15Å; L78-V106 HydrophobicContact CB-CG1 4.06Å; L78-V106 HydrophobicContact CB-CG2 4.06Å; L78-V106 HydrophobicContact CD1-CG2 4.38Å; T79-V106 VanDerWaalsContact O-CB 3.28Å; T79-V106 WeakPolarHBondContact O-CB 3.4Å; T79-V106 WeakPolarHBondContact O-CG1 3.43Å; T79-V106 WeakPolarHBondContact O-CG2 3.1Å; D82-V106 HydrophobicContact CB-CG2 4.23Å; S83-V106 PolarHBondContact OG-N 2.75Å; L104-V106 HydrophobicContact CD2-CG2 4.35Å; L104-V106 HydrophobicContact CG-CG2 4.27Å
107S92.3Very high93.1Very high53 Ų5371.4 Ų71.437%0.37140%0.401SS..  trans-146.4150.3-179.563.70000111.6L3 V4L3-S107 WeakPolarHBondContact CD1-OG 3.41Å; V4-S107 PolarHBondContact O-N 3.05Å; V4-S107 VanDerWaalsContact O-N 3.08Å
108S82.6Confident93.5Very high152 Ų15264.3 Ų64.3100%1.06338%0.384SS*.  trans-73.30175.457.20000112.9

Retrieved 108 of 108 residues in 24 ms (Link to these results)

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