X5J4D4_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4D4, 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
1A83.1Confident94.9Very high101 Ų10174.1 Ų74.184%0.83544%0.444SS*.  0138.2000000107L103A1-L103 CarbonylContact C-O 3.57Å; A1-L103 WeakPolarHBondContact CA-O 3.29Å; A1-L103 HydrophobicContact CB-CB 4.02Å
2E91.2Very high95.1Very high89 Ų8968.3 Ų68.342%0.41641%0.41SS..EExtended strand (participates in β ladder)trans-117.8126.7-172.5-61.6-62.1145.100109.4V10 T102 L103 V104 T105E2-V10 HydrophobicContact CB-CG2 3.83Å; E2-V10 HydrophobicContact CG-CG2 3.73Å; E2-T102 HydrophobicContact CG-CG2 4.38Å; E2-L103 PolarHBondContact N-O 3.42Å; E2-V104 HydrophobicContact CB-CG2 4.32Å; E2-V104 CarbonylContact O-C 3.39Å; E2-V104 WeakPolarHBondContact O-CA 3.45Å; E2-T105 PolarHBondContact O-N 3.48Å
3L95.2Very high95.3Very high125 Ų12568.6 Ų68.665%0.65442%0.417SS*.EExtended strand (participates in β ladder)trans-107.9119.6173.6-175.865.9000108.6T105 S107L3-T105 WeakPolarHBondContact CA-O 3.45Å; L3-T105 HydrophobicContact CD1-CG2 3.75Å; L3-S107 WeakPolarHBondContact CD1-OG 3.41Å
4V96.1Very high95.3Very high22 Ų2264.8 Ų64.813%0.13339%0.394CS..EExtended strand (participates in β ladder)trans-137154.4-171.9-62.80000111.6A8 V10 L78 V104 T105 V106 S107V4-A8 HydrophobicContact CB-CB 4.36Å; V4-V10 HydrophobicContact CG1-CB 4.43Å; V4-V10 HydrophobicContact CG1-CG2 4.38Å; V4-L78 HydrophobicContact CB-CD1 4.47Å; V4-L78 HydrophobicContact CG2-CD1 3.48Å; V4-L78 VanDerWaalsContact CG2-CD1 3.48Å; V4-V104 HydrophobicContact CG2-CG1 4.24Å; V4-T105 PolarHBondContact N-O 2.97Å; V4-V106 HydrophobicContact CG2-CG2 3.95Å; V4-V106 VanDerWaalsContact O-CA 3.29Å; V4-V106 WeakPolarHBondContact O-CA 3.36Å; V4-S107 PolarHBondContact O-N 2.63Å
5K96.6Very high95.3Very high142 Ų14270.8 Ų70.862%0.61741%0.413SS*.  trans-82.5153.7176.6-68.1-176.7176.5-176.20111.4G7 A8 S107K5-G7 PolarHBondContact O-N 3.27Å; K5-A8 WeakPolarHBondContact O-CB 3.38Å; K5-A8 PolarHBondContact O-N 3.24Å; K5-A8 VanDerWaalsContact O-N 3.13Å; K5-S107 WeakPolarHBondContact CA-O 3.47Å
6P97.4Very high95Very high57 Ų5767.1 Ų67.137%0.3739%0.393SS..THydrogen-bonded Turntrans-52.4139.6169.3-2533.4000111.9A8 L78 Y80 V106 S107P6-A8 PolarHBondContact O-N 3.03Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.31Å; P6-Y80 HydrophobicContact CG-CE1 3.92Å; P6-Y80 HydrophobicContact CG-CE2 4.09Å; P6-V106 HydrophobicContact CB-CG1 4.42Å; P6-V106 HydrophobicContact CG-CG1 4.08Å; P6-S107 WeakPolarHBondContact CD-O 3.1Å
7G96.1Very high94.6Very high55 Ų5568.9 Ų68.957%0.56741%0.41SS*.THydrogen-bonded Turntrans83.2-14-176.900000114.9K5 L78K5-G7 PolarHBondContact O-N 3.27Å; G7-L78 PolarHBondContact N-O 2.88Å
8A96.8Very high94.1Very high35 Ų3569.7 Ų69.729%0.28944%0.435SS..  trans-71.1167.2175.900000112.1V4 K5 P6 S77 L78V4-A8 HydrophobicContact CB-CB 4.36Å; K5-A8 WeakPolarHBondContact O-CB 3.38Å; K5-A8 PolarHBondContact O-N 3.24Å; K5-A8 VanDerWaalsContact O-N 3.13Å; P6-A8 PolarHBondContact O-N 3.03Å; A8-S77 PolarHBondContact O-N 3.29Å; A8-L78 WeakPolarHBondContact O-CB 3.47Å; A8-L78 WeakPolarHBondContact O-CG 3.5Å; A8-L78 PolarHBondContact O-N 2.9Å
9S97Very high93.6Very high62 Ų6268.3 Ų68.343%0.43442%0.421SS..  trans-113.9146.8171.2-570000110.1L75 S76S9-L75 CarbonylContact C-O 3.6Å; S9-L75 WeakPolarHBondContact CA-O 3.19Å; S9-L75 VanDerWaalsContact CB-O 3.29Å; S9-L75 WeakPolarHBondContact CB-O 2.96Å; S9-S76 WeakPolarHBondContact OG-CA 3.26Å
10V97.3Very high93.4Very high10 Ų1069.3 Ų69.36%0.06143%0.427CS..EExtended strand (participates in β ladder)trans-128.4144.9175.575.80000110E2 V4 V12 Q74 L75 L78 V104E2-V10 HydrophobicContact CB-CG2 3.83Å; E2-V10 HydrophobicContact CG-CG2 3.73Å; V4-V10 HydrophobicContact CG1-CB 4.43Å; V4-V10 HydrophobicContact CG1-CG2 4.38Å; V10-V12 HydrophobicContact CG1-CG2 4.4Å; V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 WeakPolarHBondContact O-CA 3.38Å; V10-L75 HydrophobicContact CG1-CB 4.16Å; V10-L75 HydrophobicContact CG1-CD1 4.15Å; V10-L75 PolarHBondContact N-O 2.75Å; V10-L75 PolarHBondContact O-N 2.58Å; V10-L78 HydrophobicContact CB-CD1 4.02Å; V10-L78 HydrophobicContact CG1-CD1 3.79Å; V10-V104 HydrophobicContact CG1-CG1 4.16Å; V10-V104 HydrophobicContact CG1-CG2 4.27Å
11K97.4Very high93.3Very high117 Ų11766.3 Ų66.351%0.50941%0.408SS..EExtended strand (participates in β ladder)trans-112.7113175-172.7176.9179.3-177.40109.2Y72K11-Y72 HydrophobicContact CD-CD1 4.26Å; K11-Y72 VanDerWaalsContact CE-CB 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.25Å
12V97.4Very high93.8Very high5 Ų564 Ų643%0.0338%0.384CS..EExtended strand (participates in β ladder)trans-93.4134.5175.3-172.20000108.6V10 W28 Y72 M73 T102 V104V10-V12 HydrophobicContact CG1-CG2 4.4Å; V12-W28 HydrophobicContact CB-CH2 4.32Å; V12-W28 HydrophobicContact CB-CZ3 4.05Å; V12-W28 HydrophobicContact CG1-CH2 4.11Å; V12-W28 HydrophobicContact CG1-CZ3 3.7Å; V12-Y72 CarbonylContact O-C 3.47Å; V12-Y72 VanDerWaalsContact O-CA 3.25Å; V12-Y72 WeakPolarHBondContact O-CA 3.31Å; V12-M73 HydrophobicContact CB-CE 4.29Å; V12-M73 HydrophobicContact CG2-CE 4.11Å; V12-M73 PolarHBondContact N-O 2.82Å; V12-M73 PolarHBondContact O-N 3.04Å; V12-T102 HydrophobicContact CG1-CG2 4.21Å; V12-V104 HydrophobicContact CG2-CG2 4.25Å
13S97.1Very high93.8Very high72 Ų7262.8 Ų62.850%0.50339%0.385SS..EExtended strand (participates in β ladder)trans-109.2151177.362.50000111.6A71 Y72S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.34Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.46Å
14C95.6Very high93.6Very high15 Ų1559.9 Ų59.910%0.10137%0.366CS..EExtended strand (participates in β ladder)trans-141.2108.2173.2178.20000109.3W28 T70 A71 C88C14-W28 HydrophobicContact CB-CH2 3.71Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; C14-T70 CarbonylContact O-C 3.5Å; C14-T70 WeakPolarHBondContact O-CA 3.29Å; C14-A71 PolarHBondContact N-O 2.95Å; C14-A71 PolarHBondContact O-N 2.96Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.27Å; C14-C88 WeakPolarHBondContact SG-CB 3.45Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.88Å
15K95Very high93.4Very high155 Ų15562 Ų6267%0.67437%0.371SS*.EExtended strand (participates in β ladder)trans-88.6120.8177.6-175.4171.6-176.31790109.6
16A91.4Very high93.4Very high12 Ų1255.4 Ų55.410%0.09934%0.343CS..  trans-73.3145.6175.100000110.8Y19 F21 M26 S69A16-Y19 HydrophobicContact CB-CE1 4.07Å; A16-Y19 HydrophobicContact CB-CE2 4.13Å; A16-Y19 WeakPolarHBondContact CB-OH 3.39Å; A16-F21 HydrophobicContact CB-CB 4.1Å; A16-F21 HydrophobicContact CB-CD2 3.34Å; A16-F21 HydrophobicContact CB-CE2 4.05Å; A16-F21 HydrophobicContact CB-CG 4.02Å; A16-M26 HydrophobicContact CB-CE 4.43Å; A16-S69 PolarHBondContact N-O 2.79Å
17S88.1Confident93.3Very high97 Ų9754.9 Ų54.968%0.67834%0.335SS*.  trans-149.9150.1174.8650000109.6Y19S17-Y19 VanDerWaalsContact C-N 3.33Å; S17-Y19 VanDerWaalsContact O-CD1 3.3Å; S17-Y19 WeakPolarHBondContact O-CD1 3.27Å; S17-Y19 PolarHBondContact O-N 3.1Å
18G85.4Confident93.4Very high83 Ų8352.3 Ų52.386%0.85631%0.309SS*.SBendtrans82.8-0.6177.200000116
19Y84.8Confident93.4Very high43 Ų4351.1 Ų51.117%0.16930%0.298CS..SBendtrans-152.8166.5176.565-89.9000111.8A16 S17 F21 Y24 M26 S90 Y97A16-Y19 HydrophobicContact CB-CE1 4.07Å; A16-Y19 HydrophobicContact CB-CE2 4.13Å; A16-Y19 WeakPolarHBondContact CB-OH 3.39Å; S17-Y19 VanDerWaalsContact C-N 3.33Å; S17-Y19 VanDerWaalsContact O-CD1 3.3Å; S17-Y19 WeakPolarHBondContact O-CD1 3.27Å; S17-Y19 PolarHBondContact O-N 3.1Å; Y19-F21 PolarHBondContact O-N 3.22Å; Y19-F21 VanDerWaalsContact O-N 3.11Å; Y19-Y24 AromaticContact CD2-CD2 3.61Å; Y19-Y24 HydrophobicContact CD2-CD2 3.61Å; Y19-Y24 HydrophobicContact CD2-CE2 4.13Å; Y19-Y24 HydrophobicContact CE2-CD2 4.07Å; Y19-Y24 HydrophobicContact CG-CD2 4.43Å; Y19-M26 VanDerWaalsContact OH-CE 3.31Å; Y19-M26 WeakPolarHBondContact OH-CE 3.29Å; Y19-S90 WeakPolarHBondContact CE1-OG 3.37Å; Y19-S90 VanDerWaalsContact CZ-OG 3.28Å; Y19-S90 VanDerWaalsContact OH-CB 3.26Å; Y19-S90 WeakPolarHBondContact OH-CB 3.3Å; Y19-S90 PolarHBondContact OH-OG 2.84Å; Y19-S90 VanDerWaalsContact OH-OG 3.11Å; Y19-Y97 HydrophobicContact CD1-CD2 4.5Å
20T90.1Very high93.4Very high88 Ų8848.3 Ų48.354%0.5428%0.277SS..  trans-69.9104.1174.4-57.60000109.9T22 S23T20-T22 PolarHBondContact O-N 3.06Å; T20-S23 WeakPolarHBondContact CB-OG 3.43Å; T20-S23 VanDerWaalsContact CG2-OG 3.29Å; T20-S23 WeakPolarHBondContact CG2-OG 3.38Å; T20-S23 WeakPolarHBondContact O-CB 3.4Å; T20-S23 PolarHBondContact O-N 2.97Å
21F91.4Very high93.4Very high7 Ų751 Ų513%0.03129%0.29CS..G310 helixtrans-51.8-36.2-173.3176.8-126.2000113.9A16 Y19 S23 M26 P45 V64 S69 A71A16-F21 HydrophobicContact CB-CB 4.1Å; A16-F21 HydrophobicContact CB-CD2 3.34Å; A16-F21 HydrophobicContact CB-CE2 4.05Å; A16-F21 HydrophobicContact CB-CG 4.02Å; Y19-F21 PolarHBondContact O-N 3.22Å; Y19-F21 VanDerWaalsContact O-N 3.11Å; F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 2.89Å; F21-M26 HydrophobicContact CD2-CE 4.41Å; F21-M26 HydrophobicContact CE2-CE 3.91Å; F21-P45 HydrophobicContact CD1-CB 3.81Å; F21-P45 HydrophobicContact CD1-CG 4.37Å; F21-P45 HydrophobicContact CD2-CB 4.35Å; F21-P45 HydrophobicContact CD2-CG 4.03Å; F21-P45 HydrophobicContact CE1-CB 3.53Å; F21-P45 HydrophobicContact CE1-CG 4.04Å; F21-P45 HydrophobicContact CE2-CB 4.1Å; F21-P45 HydrophobicContact CE2-CG 3.65Å; F21-P45 HydrophobicContact CG-CB 4.24Å; F21-P45 HydrophobicContact CG-CG 4.39Å; F21-P45 HydrophobicContact CZ-CB 3.68Å; F21-P45 HydrophobicContact CZ-CG 3.66Å; F21-P45 WeakPolarHBondContact O-CG 3.42Å; F21-V64 HydrophobicContact CE1-CB 4.32Å; F21-V64 HydrophobicContact CE1-CG1 4.46Å; F21-V64 HydrophobicContact CZ-CB 4.32Å; F21-V64 HydrophobicContact CZ-CG1 4.03Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; F21-A71 HydrophobicContact CE2-CB 4.22Å; F21-A71 HydrophobicContact CZ-CB 4.02Å
22T93.6Very high93.2Very high54 Ų5448 Ų4833%0.33128%0.275SS..G310 helixtrans-79.5-3.5-178.454.30000114.9T20 H44 S46 K66T20-T22 PolarHBondContact O-N 3.06Å; T22-H44 PolarHBondContact O-CE1 2.88Å; T22-S46 WeakPolarHBondContact O-CB 3.34Å; T22-K66 HydrophobicContact CG2-CD 4.45Å
23S90.9Very high92.9Very high62 Ų6253.4 Ų53.443%0.43431%0.31SS..G310 helixtrans-90.9-13.4-176-65.20000113.8T20 F21T20-S23 WeakPolarHBondContact CB-OG 3.43Å; T20-S23 VanDerWaalsContact CG2-OG 3.29Å; T20-S23 WeakPolarHBondContact CG2-OG 3.38Å; T20-S23 WeakPolarHBondContact O-CB 3.4Å; T20-S23 PolarHBondContact O-N 2.97Å; F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 2.89Å
24Y89.8Confident92.7Very high64 Ų6454.5 Ų54.525%0.25133%0.333SS..SBendtrans-138150-171.5-55-79.7000112.4Y19 P45 Y91 D92Y19-Y24 AromaticContact CD2-CD2 3.61Å; Y19-Y24 HydrophobicContact CD2-CD2 3.61Å; Y19-Y24 HydrophobicContact CD2-CE2 4.13Å; Y19-Y24 HydrophobicContact CE2-CD2 4.07Å; Y19-Y24 HydrophobicContact CG-CD2 4.43Å; Y24-P45 WeakPolarHBondContact O-CD 3Å; Y24-Y91 WeakPolarHBondContact CD1-O 3.35Å; Y24-D92 HydrophobicContact CD1-CB 4.15Å; Y24-D92 HydrophobicContact CE1-CB 3.69Å; Y24-D92 WeakPolarHBondContact CE1-OD1 3.34Å; Y24-D92 HydrophobicContact CE2-CB 4.12Å; Y24-D92 PolarHBondContact OH-OD1 3.11Å; Y24-D92 PolarHBondContact OH-OD2 3.3Å
25W93.3Very high92.6Very high67 Ų6758.6 Ų58.625%0.25435%0.35SS..  trans-63.4135.4170.7-70.689.3000111.1R42 I43 H44 D49W25-R42 HydrophobicContact CD2-CG 4.2Å; W25-R42 HydrophobicContact CE3-CB 3.92Å; W25-R42 VanDerWaalsContact CE3-CD 3.5Å; W25-R42 HydrophobicContact CE3-CG 3.41Å; W25-R42 VanDerWaalsContact CE3-CG 3.41Å; W25-R42 HydrophobicContact CZ3-CG 3.75Å; W25-I43 VanDerWaalsContact CE3-C 3.41Å; W25-H44 AromaticContact CD1-CD2 3.61Å; W25-H44 HydrophobicContact CD2-CB 3.75Å; W25-H44 AromaticContact CD2-CD2 3.7Å; W25-H44 AromaticContact CE2-CD2 3.55Å; W25-H44 AromaticContact CE2-CG 3.95Å; W25-H44 HydrophobicContact CE3-CB 3.6Å; W25-H44 VanDerWaalsContact CE3-N 3.28Å; W25-H44 AromaticContact CG-CD2 3.75Å; W25-H44 HydrophobicContact CH2-CB 3.63Å; W25-H44 HydrophobicContact CZ2-CB 3.75Å; W25-H44 HydrophobicContact CZ3-CB 3.56Å; W25-H44 VanDerWaalsContact CZ3-N 3.31Å; W25-H44 AromaticContact NE1-CD2 3.46Å; W25-H44 PolarHBondContact NE1-CD2 2.95Å; W25-D49 HydrophobicContact CH2-CB 3.92Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.35Å; W25-D49 VanDerWaalsContact CZ3-O 3.32Å; W25-D49 WeakPolarHBondContact CZ3-O 3.46Å
26M95.1Very high92.4Very high3 Ų353.8 Ų53.82%0.01535%0.345CS..EExtended strand (participates in β ladder)trans-96.8116166.9-174.364.469.900109.2A16 Y19 F21 R42 I43 A71 C88A16-M26 HydrophobicContact CB-CE 4.43Å; Y19-M26 VanDerWaalsContact OH-CE 3.31Å; Y19-M26 WeakPolarHBondContact OH-CE 3.29Å; F21-M26 HydrophobicContact CD2-CE 4.41Å; F21-M26 HydrophobicContact CE2-CE 3.91Å; M26-R42 CarbonylContact O-C 3.54Å; M26-R42 WeakPolarHBondContact O-CA 3.4Å; M26-R42 WeakPolarHBondContact O-CB 3.43Å; M26-I43 HydrophobicContact CB-CG2 4.12Å; M26-I43 PolarHBondContact N-O 3.01Å; M26-I43 PolarHBondContact O-N 2.93Å; M26-A71 HydrophobicContact CB-CB 4.16Å; M26-A71 HydrophobicContact CE-CB 4.43Å; M26-A71 HydrophobicContact CG-CB 3.64Å; M26-C88 HydrophobicContact SD-CB 3.79Å
27H95.7Very high92.6Very high47 Ų4757.8 Ų57.822%0.21836%0.364CS..EExtended strand (participates in β ladder)trans-94.3147.1177.8-66.8-109.5000110.8W39 C88 A89H27-W39 AromaticContact ND1-NE1 3.27Å; H27-W39 PolarHBondContact ND1-NE1 3.03Å; H27-C88 CarbonylContact O-C 3.54Å; H27-C88 WeakPolarHBondContact O-CA 3.37Å; H27-A89 HydrophobicContact CB-CB 4.45Å; H27-A89 WeakPolarHBondContact CB-O 3.47Å; H27-A89 PolarHBondContact N-O 3.36Å; H27-A89 PolarHBondContact O-N 3.01Å
28W97.4Very high93Very high1 Ų154.9 Ų54.90%0.00434%0.34CS..EExtended strand (participates in β ladder)trans-120.4135.2173.8-69.591.6000110.4V12 C14 I40 G41 L62 A71 M73 Y87 C88V12-W28 HydrophobicContact CB-CH2 4.32Å; V12-W28 HydrophobicContact CB-CZ3 4.05Å; V12-W28 HydrophobicContact CG1-CH2 4.11Å; V12-W28 HydrophobicContact CG1-CZ3 3.7Å; C14-W28 HydrophobicContact CB-CH2 3.71Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.34Å; W28-I40 WeakPolarHBondContact O-CB 3.01Å; W28-I40 PolarHBondContact O-N 2.82Å; W28-G41 PolarHBondContact N-O 3.1Å; W28-L62 VanDerWaalsContact CD1-CD2 3.49Å; W28-L62 HydrophobicContact CG-CD2 4Å; W28-A71 HydrophobicContact CZ2-CB 4.17Å; W28-M73 HydrophobicContact CB-SD 4.03Å; W28-M73 HydrophobicContact CD2-CB 3.61Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.17Å; W28-M73 HydrophobicContact CE3-CB 3.79Å; W28-M73 HydrophobicContact CE3-CE 3.92Å; W28-M73 HydrophobicContact CE3-SD 4.08Å; W28-M73 HydrophobicContact CG-CB 4.16Å; W28-M73 HydrophobicContact CG-SD 4.18Å; W28-M73 HydrophobicContact CH2-CB 4.04Å; W28-M73 HydrophobicContact CZ2-CB 3.9Å; W28-M73 HydrophobicContact CZ3-CB 4Å; W28-M73 HydrophobicContact CZ3-CE 4.31Å; W28-Y87 WeakPolarHBondContact CA-O 3.34Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.22Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ3-CB 4.14Å
29V97.1Very high93.5Very high10 Ų1054.7 Ų54.76%0.06131%0.313CS..EExtended strand (participates in β ladder)trans-137.6136.4-172.5-177.10000109.5L37 E38 Y86 Y87 W98V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.96Å; V29-L37 HydrophobicContact CG1-CG 4.32Å; V29-E38 CarbonylContact C-O 3.5Å; V29-E38 WeakPolarHBondContact CA-O 3.5Å; V29-Y86 CarbonylContact O-C 3.6Å; V29-Y86 WeakPolarHBondContact O-CA 3.4Å; V29-Y87 PolarHBondContact N-O 2.79Å; V29-Y87 PolarHBondContact O-N 2.82Å; V29-W98 HydrophobicContact CB-CH2 4.31Å; V29-W98 HydrophobicContact CB-CZ3 4.03Å; V29-W98 HydrophobicContact CG1-CH2 4.29Å; V29-W98 HydrophobicContact CG1-CZ3 4.23Å; V29-W98 HydrophobicContact CG2-CH2 3.9Å; V29-W98 HydrophobicContact CG2-CZ3 4Å
30K96.9Very high94.1Very high2 Ų252.7 Ų52.71%0.00931%0.305CS..EExtended strand (participates in β ladder)trans-102.1136.6173.8-176.9179.2-177.4178.20109.3E38 I40 F56 E81 D82 A84 Y86K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 3.19Å; K30-E38 PolarHBondContact O-N 2.89Å; K30-I40 HydrophobicContact CB-CD1 3.97Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; K30-F56 HydrophobicContact CB-CZ 4.45Å; K30-F56 HydrophobicContact CD-CE1 3.98Å; K30-F56 HydrophobicContact CD-CZ 4.02Å; K30-E81 PolarHBondContact NZ-O 2.85Å; K30-D82 IonicContact NZ-OD1 3.79Å; K30-D82 PolarHBondContact NZ-OD1 3.11Å; K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.56Å; K30-Y86 HydrophobicContact CB-CD1 4.16Å; K30-Y86 HydrophobicContact CB-CE1 3.93Å; K30-Y86 HydrophobicContact CD-CE1 3.99Å; K30-Y86 HydrophobicContact CG-CD1 4.3Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å
31Q97.1Very high94.4Very high68 Ų6848.5 Ų48.532%0.31828%0.28SS..EExtended strand (participates in β ladder)trans-127.2117169.9-168.6-178.434.100110.2L37 A84 V85 Y87Q31-L37 HydrophobicContact CB-CD2 3.85Å; Q31-L37 HydrophobicContact CG-CD2 3.91Å; Q31-A84 WeakPolarHBondContact O-CA 3.44Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.21Å; Q31-V85 PolarHBondContact N-O 3.01Å; Q31-V85 PolarHBondContact O-N 3.48Å; Q31-Y87 HydrophobicContact CB-CD2 4.27Å; Q31-Y87 HydrophobicContact CB-CE2 3.77Å; Q31-Y87 PolarHBondContact OE1-OH 3.43Å
32R94.9Very high94.7Very high53 Ų5352.1 Ų52.120%0.229%0.293CS..  trans-89.2150.3170.8-68.1-179.9179.8133.4-12.4110.4G34 Q35 E38 E81 A84R32-G34 PolarHBondContact O-N 3.35Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.02Å; R32-Q35 PolarHBondContact O-N 2.88Å; R32-E38 IonicContact CZ-OE1 3.88Å; R32-E38 IonicContact NH1-OE1 3.19Å; R32-E38 PolarHBondContact NH1-OE1 2.93Å; R32-E81 PolarHBondContact NE-O 2.97Å; R32-E81 PolarHBondContact NH2-O 3.05Å; R32-E81 IonicContact NH2-OE2 3.65Å; R32-A84 HydrophobicContact CG-CB 4.14Å
33P90.9Very high94.8Very high119 Ų11949.6 Ų49.677%0.77328%0.278SS*.THydrogen-bonded Turntrans-52.9126.9172.8-25.334.5000111.3Q35P33-Q35 PolarHBondContact O-N 2.92Å
34G91.9Very high95.1Very high95 Ų9547.9 Ų47.998%0.97926%0.263SS*.THydrogen-bonded Turntrans72.45179.900000115.8R32R32-G34 PolarHBondContact O-N 3.35Å
35Q93Very high95.4Very high100 Ų10044.9 Ų44.947%0.46725%0.251SS..SBendtrans-114160.5176.2-56.4-171.812.400111.7R32 P33R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.02Å; R32-Q35 PolarHBondContact O-N 2.88Å; P33-Q35 PolarHBondContact O-N 2.92Å
36G92.7Very high95.5Very high54 Ų5443.9 Ų43.956%0.55726%0.255SS*.  trans-67.6173.8173.300000113.1
37L94.7Very high95.6Very high97 Ų9748.4 Ų48.451%0.50828%0.279SS..EExtended strand (participates in β ladder)trans-71.5126.3174.4-64.1177.4000110.4V29 Q31 W98V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.96Å; V29-L37 HydrophobicContact CG1-CG 4.32Å; Q31-L37 HydrophobicContact CB-CD2 3.85Å; Q31-L37 HydrophobicContact CG-CD2 3.91Å; L37-W98 HydrophobicContact CD1-CH2 3.85Å; L37-W98 HydrophobicContact CD1-CZ2 4.45Å; L37-W98 HydrophobicContact CD1-CZ3 4.41Å
38E95.9Very high95.6Very high35 Ų3549 Ų4916%0.16429%0.288CS..EExtended strand (participates in β ladder)trans-106.3114175.1-65.3-169.8-93.300109.9V29 K30 R32 I40 K55 F56V29-E38 CarbonylContact C-O 3.5Å; V29-E38 WeakPolarHBondContact CA-O 3.5Å; K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 3.19Å; K30-E38 PolarHBondContact O-N 2.89Å; R32-E38 IonicContact CZ-OE1 3.88Å; R32-E38 IonicContact NH1-OE1 3.19Å; R32-E38 PolarHBondContact NH1-OE1 2.93Å; E38-I40 PolarHBondContact O-N 2.81Å; E38-K55 IonicContact OE2-NZ 3.06Å; E38-F56 HydrophobicContact CB-CZ 4.48Å
39W96.2Very high95.6Very high80 Ų8053.1 Ų53.130%0.30331%0.31SS..EExtended strand (participates in β ladder)trans-71.7127.1176.2-178.372.4000111.1H27 G41 R42 N51 N53H27-W39 AromaticContact ND1-NE1 3.27Å; H27-W39 PolarHBondContact ND1-NE1 3.03Å; W39-G41 PolarHBondContact NE1-O 2.83Å; W39-G41 VanDerWaalsContact NE1-O 3.09Å; W39-R42 HydrophobicContact CZ2-CB 4.06Å; W39-R42 HydrophobicContact CZ2-CG 3.89Å; W39-N51 HydrophobicContact CH2-CB 4.5Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.46Å; W39-N53 HydrophobicContact CE3-CB 3.82Å; W39-N53 HydrophobicContact CZ3-CB 3.98Å; W39-N53 WeakPolarHBondContact O-CB 3.4Å; W39-N53 PolarHBondContact O-ND2 2.83Å
40I97.5Very high95.6Very high0 Ų055 Ų550%032%0.322CS..EExtended strand (participates in β ladder)trans-91.8-49.4-177.1-59.8175000110.4W28 K30 E38 N53 F56 A60 M73 Y86W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.34Å; W28-I40 WeakPolarHBondContact O-CB 3.01Å; W28-I40 PolarHBondContact O-N 2.82Å; K30-I40 HydrophobicContact CB-CD1 3.97Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; E38-I40 PolarHBondContact O-N 2.81Å; I40-N53 WeakPolarHBondContact O-CB 3.3Å; I40-N53 PolarHBondContact O-N 3.38Å; I40-F56 HydrophobicContact CB-CD2 4.27Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.26Å; I40-F56 HydrophobicContact CG1-CE1 4.07Å; I40-F56 HydrophobicContact CG1-CE2 4.15Å; I40-F56 HydrophobicContact CG1-CG 4.25Å; I40-F56 HydrophobicContact CG1-CZ 4.06Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 4.05Å; I40-F56 HydrophobicContact CG2-CD2 4.31Å; I40-F56 HydrophobicContact CG2-CG 3.78Å; I40-A60 HydrophobicContact CG2-CB 3.78Å; I40-M73 HydrophobicContact CD1-CE 4.21Å; I40-M73 HydrophobicContact CD1-SD 3.54Å; I40-M73 VanDerWaalsContact CD1-SD 3.54Å; I40-M73 HydrophobicContact CG2-SD 4.06Å; I40-Y86 HydrophobicContact CD1-CD1 3.71Å; I40-Y86 HydrophobicContact CD1-CE1 3.82Å
41G96.9Very high95.6Very high0 Ų058.6 Ų58.60%034%0.341CS..EExtended strand (participates in β ladder)trans171.9-179.2-172.200000112W28 W39 N51W28-G41 PolarHBondContact N-O 3.1Å; W39-G41 PolarHBondContact NE1-O 2.83Å; W39-G41 VanDerWaalsContact NE1-O 3.09Å; G41-N51 CarbonylContact C-O 3.51Å; G41-N51 WeakPolarHBondContact CA-O 3.08Å
42R96.4Very high95.6Very high83 Ų8358 Ų5831%0.31334%0.336SS..EExtended strand (participates in β ladder)trans-144.6153.5173.366.5-177.9-176.3-172.6-3.4111.2W25 M26 W39 T50 N51W25-R42 HydrophobicContact CD2-CG 4.2Å; W25-R42 HydrophobicContact CE3-CB 3.92Å; W25-R42 VanDerWaalsContact CE3-CD 3.5Å; W25-R42 HydrophobicContact CE3-CG 3.41Å; W25-R42 VanDerWaalsContact CE3-CG 3.41Å; W25-R42 HydrophobicContact CZ3-CG 3.75Å; M26-R42 CarbonylContact O-C 3.54Å; M26-R42 WeakPolarHBondContact O-CA 3.4Å; M26-R42 WeakPolarHBondContact O-CB 3.43Å; W39-R42 HydrophobicContact CZ2-CB 4.06Å; W39-R42 HydrophobicContact CZ2-CG 3.89Å; R42-T50 WeakPolarHBondContact O-CA 3.46Å; R42-N51 HydrophobicContact CG-CB 4.12Å; R42-N51 PolarHBondContact N-O 3.13Å; R42-N51 PolarHBondContact O-N 3.48Å
43I97.4Very high95.7Very high2 Ų257.6 Ų57.61%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-130.1136173.3-176159.2000109.5W25 M26 P45 D49 T50 L62 V64W25-I43 VanDerWaalsContact CE3-C 3.41Å; M26-I43 HydrophobicContact CB-CG2 4.12Å; M26-I43 PolarHBondContact N-O 3.01Å; M26-I43 PolarHBondContact O-N 2.93Å; I43-P45 WeakPolarHBondContact O-CD 3.47Å; I43-D49 CarbonylContact C-O 3.56Å; I43-D49 VanDerWaalsContact CA-O 3.27Å; I43-D49 WeakPolarHBondContact CA-O 3.19Å; I43-T50 HydrophobicContact CB-CG2 3.99Å; I43-T50 HydrophobicContact CD1-CG2 3.71Å; I43-T50 HydrophobicContact CG1-CG2 3.78Å; I43-L62 HydrophobicContact CB-CB 4Å; I43-L62 HydrophobicContact CB-CD1 4.24Å; I43-L62 HydrophobicContact CD1-CB 4.1Å; I43-L62 HydrophobicContact CG2-CB 4.21Å; I43-V64 HydrophobicContact CD1-CG1 3.82Å; I43-V64 HydrophobicContact CD1-CG2 4.38Å; I43-V64 HydrophobicContact CG1-CG1 3.95Å; I43-V64 HydrophobicContact CG2-CG1 3.87Å
44H96Very high95.9Very high26 Ų2658.9 Ų58.912%0.1233%0.334CS..  trans-92116.4173.8-163.6-95.8000109.3T22 W25 S46 D47 S48 D49T22-H44 PolarHBondContact O-CE1 2.88Å; W25-H44 AromaticContact CD1-CD2 3.61Å; W25-H44 HydrophobicContact CD2-CB 3.75Å; W25-H44 AromaticContact CD2-CD2 3.7Å; W25-H44 AromaticContact CE2-CD2 3.55Å; W25-H44 AromaticContact CE2-CG 3.95Å; W25-H44 HydrophobicContact CE3-CB 3.6Å; W25-H44 VanDerWaalsContact CE3-N 3.28Å; W25-H44 AromaticContact CG-CD2 3.75Å; W25-H44 HydrophobicContact CH2-CB 3.63Å; W25-H44 HydrophobicContact CZ2-CB 3.75Å; W25-H44 HydrophobicContact CZ3-CB 3.56Å; W25-H44 VanDerWaalsContact CZ3-N 3.31Å; W25-H44 AromaticContact NE1-CD2 3.46Å; W25-H44 PolarHBondContact NE1-CD2 2.95Å; H44-S46 PolarHBondContact CE1-OG 2.91Å; H44-S46 PolarHBondContact ND1-OG 3.45Å; H44-S46 PolarHBondContact O-N 2.91Å; H44-D47 WeakPolarHBondContact CB-OD1 3.07Å; H44-D47 IonicContact CG-OD1 3.81Å; H44-D47 IonicContact ND1-OD1 3.52Å; H44-S48 WeakPolarHBondContact O-CA 3.21Å; H44-S48 PolarHBondContact O-N 2.69Å; H44-D49 PolarHBondContact N-O 2.79Å
45P95.6Very high96Very high0 Ų061.8 Ų61.80%032%0.319CS..THydrogen-bonded Turntrans-70.7-13.7-171.2-2134.8000115F21 Y24 I43 V64 K66F21-P45 HydrophobicContact CD1-CB 3.81Å; F21-P45 HydrophobicContact CD1-CG 4.37Å; F21-P45 HydrophobicContact CD2-CB 4.35Å; F21-P45 HydrophobicContact CD2-CG 4.03Å; F21-P45 HydrophobicContact CE1-CB 3.53Å; F21-P45 HydrophobicContact CE1-CG 4.04Å; F21-P45 HydrophobicContact CE2-CB 4.1Å; F21-P45 HydrophobicContact CE2-CG 3.65Å; F21-P45 HydrophobicContact CG-CB 4.24Å; F21-P45 HydrophobicContact CG-CG 4.39Å; F21-P45 HydrophobicContact CZ-CB 3.68Å; F21-P45 HydrophobicContact CZ-CG 3.66Å; F21-P45 WeakPolarHBondContact O-CG 3.42Å; Y24-P45 WeakPolarHBondContact O-CD 3Å; I43-P45 WeakPolarHBondContact O-CD 3.47Å; P45-V64 HydrophobicContact CB-CB 4.44Å; P45-V64 HydrophobicContact CB-CG1 4.03Å; P45-V64 HydrophobicContact CG-CG1 4.19Å; P45-K66 WeakPolarHBondContact O-CE 3.49Å
46S95.9Very high96.1Very high47 Ų4757.5 Ų57.533%0.32930%0.3SS..THydrogen-bonded Turntrans-73-42.6178.274.40000113.1T22 H44 K66T22-S46 WeakPolarHBondContact O-CB 3.34Å; H44-S46 PolarHBondContact CE1-OG 2.91Å; H44-S46 PolarHBondContact ND1-OG 3.45Å; H44-S46 PolarHBondContact O-N 2.91Å; S46-K66 PolarHBondContact O-NZ 2.84Å
47D96.6Very high96.2Very high98 Ų9861.7 Ų61.752%0.52430%0.302SS..THydrogen-bonded Turntrans-124.5-3.3-170.553.916.1000112.4H44 D49H44-D47 WeakPolarHBondContact CB-OD1 3.07Å; H44-D47 IonicContact CG-OD1 3.81Å; H44-D47 IonicContact ND1-OD1 3.52Å; D47-D49 PolarHBondContact O-N 3.32Å; D47-D49 WeakPolarHBondContact OD1-CB 3.33Å; D47-D49 PolarHBondContact OD1-N 2.93Å
48S96.5Very high96.1Very high58 Ų5860.7 Ų60.741%0.40632%0.315SS..  trans62.122.7-176.4-46.20000113.5H44H44-S48 WeakPolarHBondContact O-CA 3.21Å; H44-S48 PolarHBondContact O-N 2.69Å
49D97.4Very high96.1Very high88 Ų8861 Ų6147%0.47132%0.316SS..  trans-62.6140172.2-173.325.8000109.9W25 I43 H44 D47W25-D49 HydrophobicContact CH2-CB 3.92Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.35Å; W25-D49 VanDerWaalsContact CZ3-O 3.32Å; W25-D49 WeakPolarHBondContact CZ3-O 3.46Å; I43-D49 CarbonylContact C-O 3.56Å; I43-D49 VanDerWaalsContact CA-O 3.27Å; I43-D49 WeakPolarHBondContact CA-O 3.19Å; H44-D49 PolarHBondContact N-O 2.79Å; D47-D49 PolarHBondContact O-N 3.32Å; D47-D49 WeakPolarHBondContact OD1-CB 3.33Å; D47-D49 PolarHBondContact OD1-N 2.93Å
50T97.5Very high96.2Very high50 Ų5057.4 Ų57.431%0.30730%0.303SS..EExtended strand (participates in β ladder)trans-129.9140.7-174.655.70000112R42 I43 Y52 L62R42-T50 WeakPolarHBondContact O-CA 3.46Å; I43-T50 HydrophobicContact CB-CG2 3.99Å; I43-T50 HydrophobicContact CD1-CG2 3.71Å; I43-T50 HydrophobicContact CG1-CG2 3.78Å; T50-Y52 HydrophobicContact CG2-CE2 4.39Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.44Å; T50-L62 HydrophobicContact CG2-CB 4.24Å
51N96.7Very high96.2Very high78 Ų7860.4 Ų60.442%0.41732%0.321SS..EExtended strand (participates in β ladder)trans-133137170.5-173.2-122.7000109.9W39 G41 R42W39-N51 HydrophobicContact CH2-CB 4.5Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.46Å; G41-N51 CarbonylContact C-O 3.51Å; G41-N51 WeakPolarHBondContact CA-O 3.08Å; R42-N51 HydrophobicContact CG-CB 4.12Å; R42-N51 PolarHBondContact N-O 3.13Å; R42-N51 PolarHBondContact O-N 3.48Å
52Y97.5Very high96.3Very high54 Ų5460.8 Ų60.821%0.21232%0.323CS..EExtended strand (participates in β ladder)trans-124148-173.2-66.2-91.1000110.7T50 A60 L62T50-Y52 HydrophobicContact CG2-CE2 4.39Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.44Å; Y52-A60 HydrophobicContact CE1-CB 4.44Å; Y52-A60 VanDerWaalsContact CE1-O 3.3Å; Y52-A60 WeakPolarHBondContact CE1-O 3.43Å; Y52-L62 HydrophobicContact CE1-CD1 4.02Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 2.92Å
53N96.4Very high96.3Very high46 Ų4659.7 Ų59.725%0.24633%0.326CS..  trans-69.3135.9157.1-178.4-25.1000108.9W39 I40 K55 F56 K57W39-N53 HydrophobicContact CE3-CB 3.82Å; W39-N53 HydrophobicContact CZ3-CB 3.98Å; W39-N53 WeakPolarHBondContact O-CB 3.4Å; W39-N53 PolarHBondContact O-ND2 2.83Å; I40-N53 WeakPolarHBondContact O-CB 3.3Å; I40-N53 PolarHBondContact O-N 3.38Å; N53-K55 PolarHBondContact O-N 2.89Å; N53-K55 VanDerWaalsContact O-N 3.12Å; N53-K55 PolarHBondContact OD1-N 3.1Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å; N53-F56 HydrophobicContact CB-CD2 4.06Å; N53-F56 PolarHBondContact O-N 3.2Å; N53-K57 PolarHBondContact O-N 3.22Å
54Q95.8Very high96.4Very high146 Ų14661 Ų6168%0.68233%0.334SS*.G310 helixtrans-53.6-35.3-178.5-69.7-68.5-0.100113.1F56 K57Q54-F56 PolarHBondContact O-N 2.96Å; Q54-K57 PolarHBondContact O-N 3.12Å
55K93.6Very high96.4Very high155 Ų15562.3 Ų62.367%0.67434%0.342SS*.G310 helixtrans-60.2-28.2178-69.1-176.1177.9-178.80113.9E38 N53E38-K55 IonicContact OE2-NZ 3.06Å; N53-K55 PolarHBondContact O-N 2.89Å; N53-K55 VanDerWaalsContact O-N 3.12Å; N53-K55 PolarHBondContact OD1-N 3.1Å; N53-K55 VanDerWaalsContact OD1-N 3.1Å
56F95.4Very high96.4Very high11 Ų1167.4 Ų67.45%0.04836%0.364CS..G310 helixtrans-107.7-2.5-175.1-63.4-84.5000112.8K30 E38 I40 N53 Q54 G58 K59 A60K30-F56 HydrophobicContact CB-CZ 4.45Å; K30-F56 HydrophobicContact CD-CE1 3.98Å; K30-F56 HydrophobicContact CD-CZ 4.02Å; E38-F56 HydrophobicContact CB-CZ 4.48Å; I40-F56 HydrophobicContact CB-CD2 4.27Å; I40-F56 HydrophobicContact CB-CG 4.21Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.26Å; I40-F56 HydrophobicContact CG1-CE1 4.07Å; I40-F56 HydrophobicContact CG1-CE2 4.15Å; I40-F56 HydrophobicContact CG1-CG 4.25Å; I40-F56 HydrophobicContact CG1-CZ 4.06Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 4.05Å; I40-F56 HydrophobicContact CG2-CD2 4.31Å; I40-F56 HydrophobicContact CG2-CG 3.78Å; N53-F56 HydrophobicContact CB-CD2 4.06Å; N53-F56 PolarHBondContact O-N 3.2Å; Q54-F56 PolarHBondContact O-N 2.96Å; F56-G58 PolarHBondContact O-N 2.7Å; F56-K59 WeakPolarHBondContact O-CB 3.49Å; F56-K59 PolarHBondContact O-N 3.3Å; F56-A60 HydrophobicContact CB-CB 4.42Å; F56-A60 PolarHBondContact O-N 3.3Å
57K93.8Very high96.3Very high142 Ų14270.6 Ų70.662%0.61739%0.386SS*.BIsolated β-bridgetrans-63123.1176.4-165.2174.2-176.71800109.1N53 Q54 K59N53-K57 PolarHBondContact O-N 3.22Å; Q54-K57 PolarHBondContact O-N 3.12Å; K57-K59 PolarHBondContact O-N 2.84Å
58G92.9Very high96.3Very high75 Ų7567.7 Ų67.777%0.77337%0.374SS*.THydrogen-bonded Turntrans84.2-16.3-174.600000115F56F56-G58 PolarHBondContact O-N 2.7Å
59K95.8Very high96.2Very high43 Ų4367 Ų6719%0.18737%0.369CS..THydrogen-bonded Turntrans-88.6-42.9172.7-172.176.6178.9-161.70111.8F56 K57 L75 S76 S77 D82F56-K59 WeakPolarHBondContact O-CB 3.49Å; F56-K59 PolarHBondContact O-N 3.3Å; K57-K59 PolarHBondContact O-N 2.84Å; K59-L75 WeakPolarHBondContact O-CA 2.97Å; K59-S76 WeakPolarHBondContact CD-O 3.21Å; K59-S76 WeakPolarHBondContact CE-O 3.42Å; K59-S76 PolarHBondContact NZ-O 3.13Å; K59-S76 PolarHBondContact O-N 2.87Å; K59-S77 PolarHBondContact NZ-O 2.79Å; K59-D82 WeakPolarHBondContact CE-OD2 3.45Å; K59-D82 IonicContact NZ-OD2 2.69Å; K59-D82 PolarHBondContact NZ-OD2 2.89Å
60A97.7Very high96.2Very high3 Ų363.2 Ų63.23%0.02535%0.349CS..EExtended strand (participates in β ladder)trans-107.8138.3-178.600000111.2I40 Y52 F56 M73 Q74 L75I40-A60 HydrophobicContact CG2-CB 3.78Å; Y52-A60 HydrophobicContact CE1-CB 4.44Å; Y52-A60 VanDerWaalsContact CE1-O 3.3Å; Y52-A60 WeakPolarHBondContact CE1-O 3.43Å; F56-A60 HydrophobicContact CB-CB 4.42Å; F56-A60 PolarHBondContact O-N 3.3Å; A60-M73 HydrophobicContact CB-CG 4.29Å; A60-M73 HydrophobicContact CB-SD 4.49Å; A60-Q74 CarbonylContact C-O 3.39Å; A60-Q74 WeakPolarHBondContact CA-O 2.99Å; A60-L75 HydrophobicContact CB-CD2 3.99Å
61T98.3Very high96.2Very high63 Ų6360.9 Ų60.939%0.38733%0.334SS..EExtended strand (participates in β ladder)trans-120.6120.2170.1-58.70000108.9T63 M73 Q74T61-T63 HydrophobicContact CG2-CG2 4.34Å; T61-M73 WeakPolarHBondContact O-CA 3.41Å; T61-Q74 PolarHBondContact N-O 2.02Å; T61-Q74 PolarHBondContact O-N 3.11Å
62L98.3Very high96.2Very high8 Ų859.4 Ų59.44%0.04232%0.323CS..EExtended strand (participates in β ladder)trans-96.5133.1178.5-52.3-176.1000110.4W28 I43 T50 Y52 Y72 M73W28-L62 VanDerWaalsContact CD1-CD2 3.49Å; W28-L62 HydrophobicContact CG-CD2 4Å; I43-L62 HydrophobicContact CB-CB 4Å; I43-L62 HydrophobicContact CB-CD1 4.24Å; I43-L62 HydrophobicContact CD1-CB 4.1Å; I43-L62 HydrophobicContact CG2-CB 4.21Å; T50-L62 HydrophobicContact CG2-CB 4.24Å; Y52-L62 HydrophobicContact CE1-CD1 4.02Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 2.92Å; L62-Y72 WeakPolarHBondContact CA-O 3.3Å; L62-M73 HydrophobicContact CD2-CB 3.75Å; L62-M73 HydrophobicContact CD2-CG 3.67Å; L62-M73 HydrophobicContact CD2-SD 4.48Å
63T98.3Very high96.3Very high60 Ų6056.8 Ų56.837%0.36831%0.313SS..EExtended strand (participates in β ladder)trans-139162175.954.80000110.6T61 Y72T61-T63 HydrophobicContact CG2-CG2 4.34Å; T63-Y72 PolarHBondContact N-O 2.81Å; T63-Y72 PolarHBondContact O-N 3.37Å
64V97.7Very high96.4Very high29 Ų2958.5 Ų58.518%0.17632%0.32CS..EExtended strand (participates in β ladder)trans-132.7145177.2-67.80000110.7F21 I43 P45 A71F21-V64 HydrophobicContact CE1-CB 4.32Å; F21-V64 HydrophobicContact CE1-CG1 4.46Å; F21-V64 HydrophobicContact CZ-CB 4.32Å; F21-V64 HydrophobicContact CZ-CG1 4.03Å; I43-V64 HydrophobicContact CD1-CG1 3.82Å; I43-V64 HydrophobicContact CD1-CG2 4.38Å; I43-V64 HydrophobicContact CG1-CG1 3.95Å; I43-V64 HydrophobicContact CG2-CG1 3.87Å; P45-V64 HydrophobicContact CB-CB 4.44Å; P45-V64 HydrophobicContact CB-CG1 4.03Å; P45-V64 HydrophobicContact CG-CG1 4.19Å; V64-A71 HydrophobicContact CG1-CB 4.22Å
65D96.9Very high96.4Very high54 Ų5451.6 Ų51.629%0.28929%0.288SS..EExtended strand (participates in β ladder)trans-116.7107165174.57.7000108.2S67 S68 S69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 3.1Å; D65-S67 WeakPolarHBondContact OD1-CB 3.47Å; D65-S67 PolarHBondContact OD1-N 2.81Å; D65-S67 PolarHBondContact OD1-OG 2.87Å; D65-S67 PolarHBondContact OD2-OG 2.86Å; D65-S68 WeakPolarHBondContact CB-OG 3.12Å; D65-S68 PolarHBondContact OD1-N 2.87Å; D65-S68 WeakPolarHBondContact OD2-CB 3.35Å; D65-S68 PolarHBondContact OD2-OG 2.85Å; D65-S69 PolarHBondContact O-N 2.94Å; D65-S69 VanDerWaalsContact O-N 3.1Å; D65-T70 PolarHBondContact N-O 2.99Å; D65-T70 PolarHBondContact O-N 3.26Å; D65-Y72 HydrophobicContact CB-CE2 3.84Å
66K95.1Very high96.6Very high108 Ų10845.7 Ų45.747%0.4727%0.266SS..THydrogen-bonded Turntrans-69.5-30.7-177.9-54.6-175.4-159.8-177.60111.7T22 P45 S46 S68 S69T22-K66 HydrophobicContact CG2-CD 4.45Å; P45-K66 WeakPolarHBondContact O-CE 3.49Å; S46-K66 PolarHBondContact O-NZ 2.84Å; K66-S68 VanDerWaalsContact C-N 3.33Å; K66-S68 PolarHBondContact O-N 3.27Å; K66-S69 PolarHBondContact O-N 3.35Å
67S94.3Very high96.6Very high113 Ų11348.9 Ų48.979%0.7929%0.29SS*.THydrogen-bonded Turntrans-66.8-37.5-177.473.10000111.8D65D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 3.1Å; D65-S67 WeakPolarHBondContact OD1-CB 3.47Å; D65-S67 PolarHBondContact OD1-N 2.81Å; D65-S67 PolarHBondContact OD1-OG 2.87Å; D65-S67 PolarHBondContact OD2-OG 2.86Å
68S95.8Very high96.8Very high37 Ų3742.2 Ų42.226%0.25926%0.261SS..THydrogen-bonded Turntrans-981.8177.865.50000113.7D65 K66 T70D65-S68 WeakPolarHBondContact CB-OG 3.12Å; D65-S68 PolarHBondContact OD1-N 2.87Å; D65-S68 WeakPolarHBondContact OD2-CB 3.35Å; D65-S68 PolarHBondContact OD2-OG 2.85Å; K66-S68 VanDerWaalsContact C-N 3.33Å; K66-S68 PolarHBondContact O-N 3.27Å; S68-T70 PolarHBondContact O-N 3.09Å; S68-T70 PolarHBondContact O-OG1 2.86Å; S68-T70 VanDerWaalsContact O-OG1 3.04Å; S68-T70 WeakPolarHBondContact OG-CB 3.4Å; S68-T70 PolarHBondContact OG-OG1 2.99Å
69S95.3Very high96.9Very high44 Ų4441.7 Ų41.731%0.30824%0.242SC..THydrogen-bonded Turntrans50.442.1-173-63.50000113A16 F21 D65 K66A16-S69 PolarHBondContact N-O 2.79Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; D65-S69 PolarHBondContact O-N 2.94Å; D65-S69 VanDerWaalsContact O-N 3.1Å; K66-S69 PolarHBondContact O-N 3.35Å
70T97Very high96.9Very high9 Ų946.5 Ų46.56%0.05526%0.26CS..EExtended strand (participates in β ladder)trans-120.5128-173.7-56.20000110.8C14 D65 S68 Y72C14-T70 CarbonylContact O-C 3.5Å; C14-T70 WeakPolarHBondContact O-CA 3.29Å; D65-T70 PolarHBondContact N-O 2.99Å; D65-T70 PolarHBondContact O-N 3.26Å; S68-T70 PolarHBondContact O-N 3.09Å; S68-T70 PolarHBondContact O-OG1 2.86Å; S68-T70 VanDerWaalsContact O-OG1 3.04Å; S68-T70 WeakPolarHBondContact OG-CB 3.4Å; S68-T70 PolarHBondContact OG-OG1 2.99Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CD2 4.37Å; T70-Y72 HydrophobicContact CG2-CE1 3.61Å; T70-Y72 HydrophobicContact CG2-CE2 3.77Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.03Å
71A97.2Very high96.8Very high0 Ų052.8 Ų52.80%029%0.289CS..EExtended strand (participates in β ladder)trans-94.2150.4167.400000110S13 C14 F21 M26 W28 V64S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.34Å; C14-A71 PolarHBondContact N-O 2.95Å; C14-A71 PolarHBondContact O-N 2.96Å; F21-A71 HydrophobicContact CE2-CB 4.22Å; F21-A71 HydrophobicContact CZ-CB 4.02Å; M26-A71 HydrophobicContact CB-CB 4.16Å; M26-A71 HydrophobicContact CE-CB 4.43Å; M26-A71 HydrophobicContact CG-CB 3.64Å; W28-A71 HydrophobicContact CZ2-CB 4.17Å; V64-A71 HydrophobicContact CG1-CB 4.22Å
72Y98.1Very high96.6Very high47 Ų4750.2 Ų50.218%0.18427%0.273CS..EExtended strand (participates in β ladder)trans-131.9145.7177.9-55.6-87.2000111.1K11 V12 S13 L62 T63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.26Å; K11-Y72 VanDerWaalsContact CE-CB 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.25Å; V12-Y72 CarbonylContact O-C 3.47Å; V12-Y72 VanDerWaalsContact O-CA 3.25Å; V12-Y72 WeakPolarHBondContact O-CA 3.31Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.46Å; L62-Y72 WeakPolarHBondContact CA-O 3.3Å; T63-Y72 PolarHBondContact N-O 2.81Å; T63-Y72 PolarHBondContact O-N 3.37Å; D65-Y72 HydrophobicContact CB-CE2 3.84Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CD2 4.37Å; T70-Y72 HydrophobicContact CG2-CE1 3.61Å; T70-Y72 HydrophobicContact CG2-CE2 3.77Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.03Å
73M98.1Very high96.6Very high0 Ų051.6 Ų51.60%028%0.284CS..EExtended strand (participates in β ladder)trans-122.3118.5166.8177.5-172.865.100108.4V12 W28 I40 A60 T61 L62 L75 Y86V12-M73 HydrophobicContact CB-CE 4.29Å; V12-M73 HydrophobicContact CG2-CE 4.11Å; V12-M73 PolarHBondContact N-O 2.82Å; V12-M73 PolarHBondContact O-N 3.04Å; W28-M73 HydrophobicContact CB-SD 4.03Å; W28-M73 HydrophobicContact CD2-CB 3.61Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.17Å; W28-M73 HydrophobicContact CE3-CB 3.79Å; W28-M73 HydrophobicContact CE3-CE 3.92Å; W28-M73 HydrophobicContact CE3-SD 4.08Å; W28-M73 HydrophobicContact CG-CB 4.16Å; W28-M73 HydrophobicContact CG-SD 4.18Å; W28-M73 HydrophobicContact CH2-CB 4.04Å; W28-M73 HydrophobicContact CZ2-CB 3.9Å; W28-M73 HydrophobicContact CZ3-CB 4Å; W28-M73 HydrophobicContact CZ3-CE 4.31Å; I40-M73 HydrophobicContact CD1-CE 4.21Å; I40-M73 HydrophobicContact CD1-SD 3.54Å; I40-M73 VanDerWaalsContact CD1-SD 3.54Å; I40-M73 HydrophobicContact CG2-SD 4.06Å; A60-M73 HydrophobicContact CB-CG 4.29Å; A60-M73 HydrophobicContact CB-SD 4.49Å; T61-M73 WeakPolarHBondContact O-CA 3.41Å; L62-M73 HydrophobicContact CD2-CB 3.75Å; L62-M73 HydrophobicContact CD2-CG 3.67Å; L62-M73 HydrophobicContact CD2-SD 4.48Å; M73-L75 HydrophobicContact CE-CD1 3.75Å; M73-L75 HydrophobicContact CE-CD2 4.15Å; M73-L75 HydrophobicContact CE-CG 3.86Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.37Å; M73-L75 HydrophobicContact SD-CD2 3.99Å; M73-L75 HydrophobicContact SD-CG 4.27Å; M73-Y86 HydrophobicContact CE-CD1 3.52Å; M73-Y86 HydrophobicContact CE-CE1 4.11Å; M73-Y86 HydrophobicContact CE-CG 4.01Å
74Q98.1Very high96.6Very high82 Ų8248.9 Ų48.938%0.38327%0.267SS..EExtended strand (participates in β ladder)trans-95.6122.3169.8-176.3173.73.300109V10 A60 T61V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 WeakPolarHBondContact O-CA 3.38Å; A60-Q74 CarbonylContact C-O 3.39Å; A60-Q74 WeakPolarHBondContact CA-O 2.99Å; T61-Q74 PolarHBondContact N-O 2.02Å; T61-Q74 PolarHBondContact O-N 3.11Å
75L97.6Very high96.6Very high1 Ų149.2 Ų49.21%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-101.4131.2171.7-62.7163.6000108.4S9 V10 K59 A60 M73 L78 Y86S9-L75 CarbonylContact C-O 3.6Å; S9-L75 WeakPolarHBondContact CA-O 3.19Å; S9-L75 VanDerWaalsContact CB-O 3.29Å; S9-L75 WeakPolarHBondContact CB-O 2.96Å; V10-L75 HydrophobicContact CG1-CB 4.16Å; V10-L75 HydrophobicContact CG1-CD1 4.15Å; V10-L75 PolarHBondContact N-O 2.75Å; V10-L75 PolarHBondContact O-N 2.58Å; K59-L75 WeakPolarHBondContact O-CA 2.97Å; A60-L75 HydrophobicContact CB-CD2 3.99Å; M73-L75 HydrophobicContact CE-CD1 3.75Å; M73-L75 HydrophobicContact CE-CD2 4.15Å; M73-L75 HydrophobicContact CE-CG 3.86Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.37Å; M73-L75 HydrophobicContact SD-CD2 3.99Å; M73-L75 HydrophobicContact SD-CG 4.27Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CB-CG 4.48Å; L75-L78 HydrophobicContact CD1-CD2 4.25Å; L75-Y86 HydrophobicContact CD1-CD1 4.1Å; L75-Y86 HydrophobicContact CD1-CD2 4.46Å; L75-Y86 HydrophobicContact CD1-CE1 3.51Å; L75-Y86 HydrophobicContact CD1-CE2 3.97Å; L75-Y86 HydrophobicContact CD1-CG 4.49Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.42Å; L75-Y86 HydrophobicContact CD2-CE1 4.39Å
76S97Very high96.6Very high31 Ų3146.7 Ų46.722%0.21726%0.255CS..  trans-111.4154-177.2-61.30000112.4S9 K59 L78S9-S76 WeakPolarHBondContact OG-CA 3.26Å; K59-S76 WeakPolarHBondContact CD-O 3.21Å; K59-S76 WeakPolarHBondContact CE-O 3.42Å; K59-S76 PolarHBondContact NZ-O 3.13Å; K59-S76 PolarHBondContact O-N 2.87Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.82Å
77S96.1Very high96.7Very high78 Ų7843.7 Ų43.755%0.54524%0.241SC..SBendtrans52.948.8173-51.90000112.8A8 K59A8-S77 PolarHBondContact O-N 3.29Å; K59-S77 PolarHBondContact NZ-O 2.79Å
78L96.6Very high96.8Very high2 Ų239 Ų391%0.0121%0.208CC..  trans-59.9141.2-171.3-71.6170.3000112.9V4 P6 G7 A8 V10 L75 S76 D82 V104 V106V4-L78 HydrophobicContact CB-CD1 4.47Å; V4-L78 HydrophobicContact CG2-CD1 3.48Å; V4-L78 VanDerWaalsContact CG2-CD1 3.48Å; P6-L78 CarbonylContact C-O 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.31Å; G7-L78 PolarHBondContact N-O 2.88Å; A8-L78 WeakPolarHBondContact O-CB 3.47Å; A8-L78 WeakPolarHBondContact O-CG 3.5Å; A8-L78 PolarHBondContact O-N 2.9Å; V10-L78 HydrophobicContact CB-CD1 4.02Å; V10-L78 HydrophobicContact CG1-CD1 3.79Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CB-CG 4.48Å; L75-L78 HydrophobicContact CD1-CD2 4.25Å; S76-L78 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 2.82Å; L78-D82 WeakPolarHBondContact CA-OD2 3.12Å; L78-D82 HydrophobicContact CD2-CB 3.52Å; L78-V104 HydrophobicContact CD1-CG1 4.46Å; L78-V106 HydrophobicContact CB-CG1 4.41Å; L78-V106 HydrophobicContact CB-CG2 3.97Å; L78-V106 HydrophobicContact CD1-CG2 4.39Å
79T96.4Very high96.7Very high63 Ų6337.6 Ų37.639%0.38720%0.199SC..  trans-116.9169.1173.9680000110E81 D82 V106T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.11Å; T79-D82 PolarHBondContact N-OD2 2.94Å; T79-D82 WeakPolarHBondContact O-CB 3.25Å; T79-D82 PolarHBondContact O-N 3.46Å; T79-D82 PolarHBondContact OG1-OD2 2.91Å; T79-V106 WeakPolarHBondContact O-CB 3.29Å; T79-V106 WeakPolarHBondContact O-CG2 3.49Å
80Y96Very high96.4Very high144 Ų14435.8 Ų35.857%0.56519%0.186SC*.G310 helixtrans-53.4-33.4176-64-71.1000112.9P6 D82 S83 V106P6-Y80 HydrophobicContact CG-CE1 3.92Å; P6-Y80 HydrophobicContact CG-CE2 4.09Å; Y80-D82 PolarHBondContact O-N 2.92Å; Y80-S83 WeakPolarHBondContact O-CB 3.47Å; Y80-S83 PolarHBondContact O-N 3.05Å; Y80-S83 VanDerWaalsContact O-N 3.1Å; Y80-S83 PolarHBondContact O-OG 3.39Å; Y80-V106 VanDerWaalsContact CD1-O 3.31Å; Y80-V106 WeakPolarHBondContact CD1-O 3.38Å
81E93.7Very high95.6Very high135 Ų13542 Ų4263%0.63121%0.21SC*.G310 helixtrans-68.9-11.6177.6-60-171.9-179.200114.4K30 R32 T79 S83K30-E81 PolarHBondContact NZ-O 2.85Å; R32-E81 PolarHBondContact NE-O 2.97Å; R32-E81 PolarHBondContact NH2-O 3.05Å; R32-E81 IonicContact NH2-OE2 3.65Å; T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.11Å; E81-S83 VanDerWaalsContact C-N 3.3Å
82D95.8Very high94.2Very high10 Ų1043.7 Ų43.75%0.05322%0.219CC..G310 helixtrans-84.6-4173.3-63.8-47.4000113.1K30 K59 L78 T79 Y80 A84 Y86 V106K30-D82 IonicContact NZ-OD1 3.79Å; K30-D82 PolarHBondContact NZ-OD1 3.11Å; K59-D82 WeakPolarHBondContact CE-OD2 3.45Å; K59-D82 IonicContact NZ-OD2 2.69Å; K59-D82 PolarHBondContact NZ-OD2 2.89Å; L78-D82 WeakPolarHBondContact CA-OD2 3.12Å; L78-D82 HydrophobicContact CD2-CB 3.52Å; T79-D82 PolarHBondContact N-OD2 2.94Å; T79-D82 WeakPolarHBondContact O-CB 3.25Å; T79-D82 PolarHBondContact O-N 3.46Å; T79-D82 PolarHBondContact OG1-OD2 2.91Å; Y80-D82 PolarHBondContact O-N 2.92Å; D82-A84 PolarHBondContact O-N 2.8Å; D82-A84 VanDerWaalsContact O-N 3.1Å; D82-Y86 WeakPolarHBondContact O-CE2 3.33Å; D82-Y86 PolarHBondContact O-OH 3.27Å; D82-V106 HydrophobicContact CB-CG2 4.26Å
83S97.4Very high92.1Very high37 Ų3745.8 Ų45.826%0.25925%0.246SC..  trans-65.5112.3171.1-55.60000110.4Y80 E81 V104 V106Y80-S83 WeakPolarHBondContact O-CB 3.47Å; Y80-S83 PolarHBondContact O-N 3.05Å; Y80-S83 VanDerWaalsContact O-N 3.1Å; Y80-S83 PolarHBondContact O-OG 3.39Å; E81-S83 VanDerWaalsContact C-N 3.3Å; S83-V104 CarbonylContact C-O 3.59Å; S83-V104 VanDerWaalsContact CA-O 3.27Å; S83-V104 WeakPolarHBondContact CA-O 3.2Å; S83-V106 PolarHBondContact OG-N 2.84Å
84A97.6Very high90.2Very high2 Ų248 Ų482%0.01727%0.269CS..EExtended strand (participates in β ladder)trans-167.6167.1-171.900000111K30 Q31 R32 D82 Y86 V104K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.56Å; Q31-A84 WeakPolarHBondContact O-CA 3.44Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.21Å; R32-A84 HydrophobicContact CG-CB 4.14Å; D82-A84 PolarHBondContact O-N 2.8Å; D82-A84 VanDerWaalsContact O-N 3.1Å; A84-Y86 HydrophobicContact CB-CD2 4.35Å; A84-Y86 HydrophobicContact CB-CE2 3.83Å; A84-V104 PolarHBondContact N-O 3.47Å; A84-V104 PolarHBondContact O-N 3.19Å
85V98.1Very high88.3Confident36 Ų3651.1 Ų51.122%0.21828%0.282CS..EExtended strand (participates in β ladder)trans-89.3129.1162.4-170.40000108.6Q31 Y87 L103Q31-V85 PolarHBondContact N-O 3.01Å; Q31-V85 PolarHBondContact O-N 3.48Å; V85-Y87 HydrophobicContact CB-CE2 3.71Å; V85-Y87 HydrophobicContact CG1-CD2 4.19Å; V85-Y87 HydrophobicContact CG1-CE1 3.89Å; V85-Y87 HydrophobicContact CG1-CE2 3.5Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.42Å; V85-L103 HydrophobicContact CG2-CD1 4.11Å
86Y97.9Very high87.2Confident1 Ų153.7 Ų53.70%0.00430%0.303CS..EExtended strand (participates in β ladder)trans-107121.7179-70.1-88.9000110V29 K30 I40 M73 L75 D82 A84 G101 T102 V104V29-Y86 CarbonylContact O-C 3.6Å; V29-Y86 WeakPolarHBondContact O-CA 3.4Å; K30-Y86 HydrophobicContact CB-CD1 4.16Å; K30-Y86 HydrophobicContact CB-CE1 3.93Å; K30-Y86 HydrophobicContact CD-CE1 3.99Å; K30-Y86 HydrophobicContact CG-CD1 4.3Å; K30-Y86 HydrophobicContact CG-CE1 3.77Å; I40-Y86 HydrophobicContact CD1-CD1 3.71Å; I40-Y86 HydrophobicContact CD1-CE1 3.82Å; M73-Y86 HydrophobicContact CE-CD1 3.52Å; M73-Y86 HydrophobicContact CE-CE1 4.11Å; M73-Y86 HydrophobicContact CE-CG 4.01Å; L75-Y86 HydrophobicContact CD1-CD1 4.1Å; L75-Y86 HydrophobicContact CD1-CD2 4.46Å; L75-Y86 HydrophobicContact CD1-CE1 3.51Å; L75-Y86 HydrophobicContact CD1-CE2 3.97Å; L75-Y86 HydrophobicContact CD1-CG 4.49Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.42Å; L75-Y86 HydrophobicContact CD2-CE1 4.39Å; D82-Y86 WeakPolarHBondContact O-CE2 3.33Å; D82-Y86 PolarHBondContact O-OH 3.27Å; A84-Y86 HydrophobicContact CB-CD2 4.35Å; A84-Y86 HydrophobicContact CB-CE2 3.83Å; Y86-G101 CarbonylContact O-C 3.57Å; Y86-G101 VanDerWaalsContact O-CA 3.3Å; Y86-G101 WeakPolarHBondContact O-CA 3.39Å; Y86-T102 PolarHBondContact N-O 3.46Å; Y86-T102 PolarHBondContact O-N 2.6Å; Y86-V104 HydrophobicContact CD2-CB 3.9Å; Y86-V104 HydrophobicContact CD2-CG2 3.65Å; Y86-V104 HydrophobicContact CE2-CB 3.79Å; Y86-V104 HydrophobicContact CE2-CG2 3.96Å
87Y96.9Very high86.7Confident46 Ų4657.4 Ų57.418%0.1831%0.313CS..EExtended strand (participates in β ladder)trans-108.5144.9-178.7-61.5-85.7000110.3W28 V29 Q31 V85 W98 G99 G101W28-Y87 WeakPolarHBondContact CA-O 3.34Å; V29-Y87 PolarHBondContact N-O 2.79Å; V29-Y87 PolarHBondContact O-N 2.82Å; Q31-Y87 HydrophobicContact CB-CD2 4.27Å; Q31-Y87 HydrophobicContact CB-CE2 3.77Å; Q31-Y87 PolarHBondContact OE1-OH 3.43Å; V85-Y87 HydrophobicContact CB-CE2 3.71Å; V85-Y87 HydrophobicContact CG1-CD2 4.19Å; V85-Y87 HydrophobicContact CG1-CE1 3.89Å; V85-Y87 HydrophobicContact CG1-CE2 3.5Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.42Å; Y87-W98 HydrophobicContact CD1-CE3 4.47Å; Y87-W98 HydrophobicContact CG-CE3 4.2Å; Y87-W98 HydrophobicContact CG-CZ3 4.32Å; Y87-G99 WeakPolarHBondContact CD1-O 3.32Å; Y87-G101 VanDerWaalsContact CD1-CA 3.42Å
88C95.4Very high86.5Confident13 Ų1359.4 Ų59.49%0.08831%0.309CS..EExtended strand (participates in β ladder)trans-101.4150.2158.360.80000109.4C14 M26 H27 W28 G99C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.27Å; C14-C88 WeakPolarHBondContact SG-CB 3.45Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.88Å; M26-C88 HydrophobicContact SD-CB 3.79Å; H27-C88 CarbonylContact O-C 3.54Å; H27-C88 WeakPolarHBondContact O-CA 3.37Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.22Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ3-CB 4.14Å; C88-G99 PolarHBondContact O-N 3.31Å
89A93.4Very high86.3Confident9 Ų960.5 Ų60.57%0.07432%0.32CS..EExtended strand (participates in β ladder)trans-143146.6172.900000111.5H27 Y97 W98H27-A89 HydrophobicContact CB-CB 4.45Å; H27-A89 WeakPolarHBondContact CB-O 3.47Å; H27-A89 PolarHBondContact N-O 3.36Å; H27-A89 PolarHBondContact O-N 3.01Å; A89-Y97 CarbonylContact C-O 3.58Å; A89-Y97 WeakPolarHBondContact CA-O 3.42Å; A89-Y97 WeakPolarHBondContact CB-O 2.98Å; A89-W98 HydrophobicContact CB-CD2 3.83Å; A89-W98 HydrophobicContact CB-CE3 4.03Å; A89-W98 HydrophobicContact CB-CG 4.26Å; A89-W98 HydrophobicContact CB-CH2 4.43Å; A89-W98 HydrophobicContact CB-CZ2 4.25Å; A89-W98 HydrophobicContact CB-CZ3 4.33Å
90S89.4Confident86.2Confident5 Ų566.3 Ų66.34%0.03534%0.343CS..EExtended strand (participates in β ladder)trans-124.4155.3168.4680000109.7Y19 A96 Y97Y19-S90 WeakPolarHBondContact CE1-OG 3.37Å; Y19-S90 VanDerWaalsContact CZ-OG 3.28Å; Y19-S90 VanDerWaalsContact OH-CB 3.26Å; Y19-S90 WeakPolarHBondContact OH-CB 3.3Å; Y19-S90 PolarHBondContact OH-OG 2.84Å; Y19-S90 VanDerWaalsContact OH-OG 3.11Å; S90-A96 CarbonylContact O-C 3.57Å; S90-A96 WeakPolarHBondContact O-CA 3.49Å; S90-Y97 PolarHBondContact N-O 3.1Å; S90-Y97 PolarHBondContact O-N 2.98Å
91Y81Confident86.1Confident139 Ų13960.8 Ų60.855%0.54533%0.33SS..EExtended strand (participates in β ladder)trans-123.2119.6179-171.2-94.1000109.9Y24 G94 A96Y24-Y91 WeakPolarHBondContact CD1-O 3.35Å; Y91-G94 WeakPolarHBondContact OH-CA 3.4Å; Y91-A96 HydrophobicContact CD2-CB 4.27Å
92D67.4Low86.3Confident36 Ų3656.1 Ų56.119%0.19331%0.311CS..EExtended strand (participates in β ladder)trans-125.6125.5172.6179.615.8000109.5Y24 G94 F95 Y97Y24-D92 HydrophobicContact CD1-CB 4.15Å; Y24-D92 HydrophobicContact CE1-CB 3.69Å; Y24-D92 WeakPolarHBondContact CE1-OD1 3.34Å; Y24-D92 HydrophobicContact CE2-CB 4.12Å; Y24-D92 PolarHBondContact OH-OD1 3.11Å; Y24-D92 PolarHBondContact OH-OD2 3.3Å; D92-G94 PolarHBondContact O-N 2.75Å; D92-F95 PolarHBondContact N-O 3.24Å; D92-F95 VanDerWaalsContact N-O 3.13Å; D92-F95 PolarHBondContact O-N 3.04Å; D92-Y97 HydrophobicContact CB-CE2 4.04Å
93A54.8Low86.4Confident92 Ų9259.5 Ų59.576%0.7633%0.329SS*.THydrogen-bonded Turntrans37.338.7165.200000117.4
94G57.4Low86.4Confident47 Ų4757.8 Ų57.849%0.48532%0.316SS..THydrogen-bonded Turntrans110-9177.800000116.1Y91 D92Y91-G94 WeakPolarHBondContact OH-CA 3.4Å; D92-G94 PolarHBondContact O-N 2.75Å
95F57.5Low86.4Confident147 Ų14760.1 Ų60.165%0.64533%0.33SS*.EExtended strand (participates in β ladder)trans-116.8128.4178.7-62.6-82.4000111.3D92D92-F95 PolarHBondContact N-O 3.24Å; D92-F95 VanDerWaalsContact N-O 3.13Å; D92-F95 PolarHBondContact O-N 3.04Å
96A75.2Confident86.4Confident55 Ų5558.6 Ų58.646%0.45532%0.321SS..EExtended strand (participates in β ladder)trans-90.9110.9170.400000109S90 Y91S90-A96 CarbonylContact O-C 3.57Å; S90-A96 WeakPolarHBondContact O-CA 3.49Å; Y91-A96 HydrophobicContact CD2-CB 4.27Å
97Y86.5Confident86.3Confident108 Ų10860.6 Ų60.642%0.42434%0.336SS..EExtended strand (participates in β ladder)trans-82.4125.2170.2-62.8-79.4000108.7Y19 A89 S90 D92Y19-Y97 HydrophobicContact CD1-CD2 4.5Å; A89-Y97 CarbonylContact C-O 3.58Å; A89-Y97 WeakPolarHBondContact CA-O 3.42Å; A89-Y97 WeakPolarHBondContact CB-O 2.98Å; S90-Y97 PolarHBondContact N-O 3.1Å; S90-Y97 PolarHBondContact O-N 2.98Å; D92-Y97 HydrophobicContact CB-CE2 4.04Å
98W91.7Very high85.8Confident120 Ų12064 Ų6446%0.45537%0.373SS..EExtended strand (participates in β ladder)trans-112.3135.9175.8-72.178.2000110.1V29 L37 Y87 A89V29-W98 HydrophobicContact CB-CH2 4.31Å; V29-W98 HydrophobicContact CB-CZ3 4.03Å; V29-W98 HydrophobicContact CG1-CH2 4.29Å; V29-W98 HydrophobicContact CG1-CZ3 4.23Å; V29-W98 HydrophobicContact CG2-CH2 3.9Å; V29-W98 HydrophobicContact CG2-CZ3 4Å; L37-W98 HydrophobicContact CD1-CH2 3.85Å; L37-W98 HydrophobicContact CD1-CZ2 4.45Å; L37-W98 HydrophobicContact CD1-CZ3 4.41Å; Y87-W98 HydrophobicContact CD1-CE3 4.47Å; Y87-W98 HydrophobicContact CG-CE3 4.2Å; Y87-W98 HydrophobicContact CG-CZ3 4.32Å; A89-W98 HydrophobicContact CB-CD2 3.83Å; A89-W98 HydrophobicContact CB-CE3 4.03Å; A89-W98 HydrophobicContact CB-CG 4.26Å; A89-W98 HydrophobicContact CB-CH2 4.43Å; A89-W98 HydrophobicContact CB-CZ2 4.25Å; A89-W98 HydrophobicContact CB-CZ3 4.33Å
99G92.8Very high85.4Confident25 Ų2566.5 Ų66.526%0.25839%0.387SS..  trans-67.2161.2166.300000111.1Y87 C88 G101Y87-G99 WeakPolarHBondContact CD1-O 3.32Å; C88-G99 PolarHBondContact O-N 3.31Å; G99-G101 PolarHBondContact O-N 3.49Å; G99-G101 VanDerWaalsContact O-N 3.1Å
100Q93.9Very high84.9Confident186 Ų18669.5 Ų69.587%0.86940%0.403SS*.  trans-63.5-16.2178.2-65.6-63.3-40.900113.6
101G95.4Very high84.7Confident28 Ų2873.1 Ų73.129%0.28942%0.424SS..  trans85.9148.4-177.400000112.6Y86 Y87 G99Y86-G101 CarbonylContact O-C 3.57Å; Y86-G101 VanDerWaalsContact O-CA 3.3Å; Y86-G101 WeakPolarHBondContact O-CA 3.39Å; Y87-G101 VanDerWaalsContact CD1-CA 3.42Å; G99-G101 PolarHBondContact O-N 3.49Å; G99-G101 VanDerWaalsContact O-N 3.1Å
102T97.5Very high84.9Confident37 Ų3769.2 Ų69.223%0.22742%0.417CS..EExtended strand (participates in β ladder)trans-117.3114.4176-61.70000108.4E2 V12 Y86 V104E2-T102 HydrophobicContact CG-CG2 4.38Å; V12-T102 HydrophobicContact CG1-CG2 4.21Å; Y86-T102 PolarHBondContact N-O 3.46Å; Y86-T102 PolarHBondContact O-N 2.6Å; T102-V104 HydrophobicContact CG2-CG2 4.41Å; T102-V104 PolarHBondContact O-N 2.67Å
103L97.7Very high86Confident81 Ų8171.3 Ų71.342%0.42443%0.431SS..EExtended strand (participates in β ladder)trans-68121.9169.3177.663.7000109.2A1 E2 V85A1-L103 CarbonylContact C-O 3.57Å; A1-L103 WeakPolarHBondContact CA-O 3.29Å; A1-L103 HydrophobicContact CB-CB 4.02Å; E2-L103 PolarHBondContact N-O 3.42Å; V85-L103 HydrophobicContact CG2-CD1 4.11Å
104V97.6Very high88.1Confident0 Ų069.9 Ų69.90%041%0.409CS..EExtended strand (participates in β ladder)trans-111.8126167.5177.80000107E2 V4 V10 V12 L78 S83 A84 Y86 T102E2-V104 HydrophobicContact CB-CG2 4.32Å; E2-V104 CarbonylContact O-C 3.39Å; E2-V104 WeakPolarHBondContact O-CA 3.45Å; V4-V104 HydrophobicContact CG2-CG1 4.24Å; V10-V104 HydrophobicContact CG1-CG1 4.16Å; V10-V104 HydrophobicContact CG1-CG2 4.27Å; V12-V104 HydrophobicContact CG2-CG2 4.25Å; L78-V104 HydrophobicContact CD1-CG1 4.46Å; S83-V104 CarbonylContact C-O 3.59Å; S83-V104 VanDerWaalsContact CA-O 3.27Å; S83-V104 WeakPolarHBondContact CA-O 3.2Å; A84-V104 PolarHBondContact N-O 3.47Å; A84-V104 PolarHBondContact O-N 3.19Å; Y86-V104 HydrophobicContact CD2-CB 3.9Å; Y86-V104 HydrophobicContact CD2-CG2 3.65Å; Y86-V104 HydrophobicContact CE2-CB 3.79Å; Y86-V104 HydrophobicContact CE2-CG2 3.96Å; T102-V104 HydrophobicContact CG2-CG2 4.41Å; T102-V104 PolarHBondContact O-N 2.67Å
105T97.8Very high90.3Very high51 Ų5171.6 Ų71.631%0.31340%0.403SS..EExtended strand (participates in β ladder)trans-118125.2177.9-58.80000108.8E2 L3 V4E2-T105 PolarHBondContact O-N 3.48Å; L3-T105 WeakPolarHBondContact CA-O 3.45Å; L3-T105 HydrophobicContact CD1-CG2 3.75Å; V4-T105 PolarHBondContact N-O 2.97Å
106V96.9Very high92.8Very high5 Ų565.8 Ų65.83%0.0339%0.385CS..EExtended strand (participates in β ladder)trans-104.2112.5176.3-170.90000108.4V4 P6 L78 T79 Y80 D82 S83V4-V106 HydrophobicContact CG2-CG2 3.95Å; V4-V106 VanDerWaalsContact O-CA 3.29Å; V4-V106 WeakPolarHBondContact O-CA 3.36Å; P6-V106 HydrophobicContact CB-CG1 4.42Å; P6-V106 HydrophobicContact CG-CG1 4.08Å; L78-V106 HydrophobicContact CB-CG1 4.41Å; L78-V106 HydrophobicContact CB-CG2 3.97Å; L78-V106 HydrophobicContact CD1-CG2 4.39Å; T79-V106 WeakPolarHBondContact O-CB 3.29Å; T79-V106 WeakPolarHBondContact O-CG2 3.49Å; Y80-V106 VanDerWaalsContact CD1-O 3.31Å; Y80-V106 WeakPolarHBondContact CD1-O 3.38Å; D82-V106 HydrophobicContact CB-CG2 4.26Å; S83-V106 PolarHBondContact OG-N 2.84Å
107S95.3Very high94.3Very high43 Ų4366.7 Ų66.730%0.30138%0.379SS..  trans-143.3160-179.670.40000112L3 V4 K5 P6L3-S107 WeakPolarHBondContact CD1-OG 3.41Å; V4-S107 PolarHBondContact O-N 2.63Å; K5-S107 WeakPolarHBondContact CA-O 3.47Å; P6-S107 WeakPolarHBondContact CD-O 3.1Å
108A88.2Confident95Very high116 Ų11662.9 Ų62.996%0.95938%0.375SS*.  trans-68.10177.200000112.7

Retrieved 108 of 108 residues in 22 ms (Link to these results)

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