X5J523_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J523, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 113 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
1T75.3Confident93.1Very high140 Ų14078.2 Ų78.286%0.85945%0.45SS*.  0134.70-55.30000108.7S108T1-S108 CarbonylContact C-O 3.42Å; T1-S108 WeakPolarHBondContact CA-O 3.5Å
2E86.2Confident93.5Very high74 Ų7472.3 Ų72.335%0.34642%0.416SS..EExtended strand (participates in β ladder)trans-116.6115.7-178-159.4163.7-174.100109V4 V10 L12 S108 V109 T110E2-V4 HydrophobicContact CG-CG1 4.12Å; E2-V10 HydrophobicContact CG-CG2 3.99Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.39Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.29Å; E2-L12 WeakPolarHBondContact OE2-CD2 3.31Å; E2-S108 PolarHBondContact N-O 3.32Å; E2-V109 HydrophobicContact CB-CG2 4.48Å; E2-V109 WeakPolarHBondContact O-CA 3.24Å; E2-T110 PolarHBondContact O-N 3.09Å
3L93.2Very high93.8Very high125 Ų12572.6 Ų72.665%0.65443%0.425SS*.EExtended strand (participates in β ladder)trans-97.3120.4179.8-174.267.6000108.7T110 S112L3-T110 WeakPolarHBondContact CA-O 3.44Å; L3-T110 HydrophobicContact CD1-CG2 3.89Å; L3-S112 VanDerWaalsContact CD1-OG 3.31Å; L3-S112 WeakPolarHBondContact CD1-OG 3.29Å
4V94.9Very high94.1Very high19 Ų1968.5 Ų68.512%0.11540%0.402CS..EExtended strand (participates in β ladder)trans-133.2151-174-61.40000111.1E2 A8 L78 V109 T110 V111 S112E2-V4 HydrophobicContact CG-CG1 4.12Å; V4-A8 HydrophobicContact CB-CB 4.41Å; V4-L78 HydrophobicContact CB-CD1 4.48Å; V4-L78 HydrophobicContact CG2-CD1 3.59Å; V4-V109 HydrophobicContact CG2-CG1 4.12Å; V4-T110 PolarHBondContact N-O 3.46Å; V4-V111 HydrophobicContact CG2-CB 4.31Å; V4-V111 HydrophobicContact CG2-CG1 4.4Å; V4-V111 HydrophobicContact CG2-CG2 3.76Å; V4-V111 VanDerWaalsContact O-CA 3.31Å; V4-V111 WeakPolarHBondContact O-CA 3.05Å; V4-S112 PolarHBondContact O-N 2.94Å
5K95.4Very high94.2Very high148 Ų14874.3 Ų74.364%0.64342%0.421SS*.  trans-80.1151.5176.1-67.2-176.6178.1-176.40110.7G7 A8K5-G7 PolarHBondContact O-N 3.25Å; K5-A8 WeakPolarHBondContact O-CB 3.28Å; K5-A8 PolarHBondContact O-N 3.25Å; K5-A8 VanDerWaalsContact O-N 3.13Å
6P96.7Very high94.2Very high76 Ų7670.4 Ų70.449%0.49440%0.401SS..THydrogen-bonded Turntrans-52.6139.9170.1-25.434.1000112A8 L78 V111P6-A8 PolarHBondContact O-N 3.01Å; P6-L78 WeakPolarHBondContact CA-O 3.14Å; P6-V111 HydrophobicContact CB-CG1 4.42Å; P6-V111 HydrophobicContact CG-CG1 4.18Å
7G95.4Very high94Very high52 Ų5272.4 Ų72.454%0.53642%0.419SS..THydrogen-bonded Turntrans82.2-12.7-176.900000114.9K5 L78K5-G7 PolarHBondContact O-N 3.25Å; G7-L78 PolarHBondContact N-O 2.86Å
8A96.1Very high93.8Very high36 Ų3673.3 Ų73.330%0.29845%0.447SS..  trans-68.5167.4175.400000112V4 K5 P6 S77 L78V4-A8 HydrophobicContact CB-CB 4.41Å; K5-A8 WeakPolarHBondContact O-CB 3.28Å; K5-A8 PolarHBondContact O-N 3.25Å; K5-A8 VanDerWaalsContact O-N 3.13Å; P6-A8 PolarHBondContact O-N 3.01Å; A8-S77 PolarHBondContact O-N 2.86Å; A8-L78 WeakPolarHBondContact O-CB 3.26Å; A8-L78 WeakPolarHBondContact O-CG 3.21Å; A8-L78 PolarHBondContact O-N 3.04Å
9S96.8Very high93.4Very high66 Ų6672.2 Ų72.246%0.46243%0.434SS..  trans-115.1150.3170.6-57.60000110L75 S76S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.31Å; S9-L75 WeakPolarHBondContact CB-O 3.48Å; S9-S76 WeakPolarHBondContact OG-CA 3.2Å
10V96.9Very high93.4Very high5 Ų573.2 Ų73.23%0.0344%0.441CS..EExtended strand (participates in β ladder)trans-130.1145.3178.274.80000110.4E2 L12 Q74 L75 L78 V109E2-V10 HydrophobicContact CG-CG2 3.99Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.39Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.29Å; V10-L12 HydrophobicContact CG2-CD2 4.17Å; V10-Q74 CarbonylContact O-C 3.52Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.46Å; V10-L75 HydrophobicContact CG1-CB 3.99Å; V10-L75 HydrophobicContact CG1-CD1 4.14Å; V10-L75 HydrophobicContact CG1-CG 4.49Å; V10-L75 PolarHBondContact N-O 3.11Å; V10-L75 PolarHBondContact O-N 3.06Å; V10-L78 HydrophobicContact CB-CD1 3.94Å; V10-L78 HydrophobicContact CG1-CD1 3.74Å; V10-V109 HydrophobicContact CG1-CG1 4.47Å
11K97.6Very high93.3Very high119 Ų11969.9 Ų69.952%0.51742%0.421SS..EExtended strand (participates in β ladder)trans-120.1108.8176.7-173.9178.7-179.8-1800110Y72 M73K11-Y72 HydrophobicContact CD-CD1 4.43Å; K11-Y72 VanDerWaalsContact CE-CD1 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.41Å; K11-M73 WeakPolarHBondContact CA-O 3.45Å
12L97.9Very high94.1Very high7 Ų765.6 Ų65.64%0.03740%0.395CS..EExtended strand (participates in β ladder)trans-90.4146.2175.9-55.3-176.1000110.2E2 V10 W28 Y72 M73 Y86 T107 V109E2-L12 WeakPolarHBondContact OE2-CD2 3.31Å; V10-L12 HydrophobicContact CG2-CD2 4.17Å; L12-W28 HydrophobicContact CB-CH2 3.91Å; L12-W28 HydrophobicContact CB-CZ3 3.79Å; L12-W28 HydrophobicContact CD1-CZ3 4.42Å; L12-Y72 CarbonylContact O-C 3.48Å; L12-Y72 WeakPolarHBondContact O-CA 3.45Å; L12-M73 HydrophobicContact CD1-CE 3.73Å; L12-M73 PolarHBondContact N-O 2.96Å; L12-M73 PolarHBondContact O-N 2.74Å; L12-Y86 VanDerWaalsContact CD1-CB 3.45Å; L12-Y86 HydrophobicContact CD1-CD1 4.42Å; L12-Y86 HydrophobicContact CD1-CD2 4.16Å; L12-Y86 HydrophobicContact CD1-CG 3.77Å; L12-T107 HydrophobicContact CD2-CG2 3.98Å; L12-V109 HydrophobicContact CD1-CG2 4.21Å; L12-V109 HydrophobicContact CD2-CG2 4Å
13S97.4Very high94.3Very high77 Ų7763.9 Ų63.954%0.53839%0.391SS..EExtended strand (participates in β ladder)trans-122.6148.6177.766.70000111.3A71 Y72S13-A71 CarbonylContact C-O 3.49Å; S13-A71 WeakPolarHBondContact CA-O 3.48Å; S13-Y72 VanDerWaalsContact CB-CD1 3.47Å; S13-Y72 VanDerWaalsContact CB-CE1 3.44Å
14C97Very high94.3Very high15 Ų1560.2 Ų60.210%0.10137%0.369CS..EExtended strand (participates in β ladder)trans-137.3105.7174.1-178.70000108.8W28 T70 A71 C88C14-W28 HydrophobicContact CB-CH2 3.92Å; C14-W28 HydrophobicContact CB-CZ2 4.04Å; C14-T70 WeakPolarHBondContact O-CA 3.33Å; C14-A71 PolarHBondContact N-O 2.81Å; C14-A71 PolarHBondContact O-N 3.05Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.4Å; C14-C88 WeakPolarHBondContact SG-CB 3.46Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.7Å
15K96.4Very high94.3Very high156 Ų15661.9 Ų61.968%0.67837%0.373SS*.EExtended strand (participates in β ladder)trans-90.1123.8-179.3-174.4173.5-176.91790110.2T70K15-T70 HydrophobicContact CB-CG2 4.45Å
16A93.4Very high94.3Very high12 Ų1255 Ų5510%0.09934%0.344CS..  trans-73.9143.6174.200000111.5Y19 F21 S69A16-Y19 HydrophobicContact CB-CD1 4.32Å; A16-Y19 HydrophobicContact CB-CE1 3.47Å; A16-Y19 VanDerWaalsContact CB-CE1 3.47Å; A16-Y19 HydrophobicContact CB-CE2 4.19Å; A16-Y19 VanDerWaalsContact CB-OH 3.28Å; A16-Y19 WeakPolarHBondContact CB-OH 3.35Å; A16-F21 HydrophobicContact CB-CB 3.87Å; A16-F21 HydrophobicContact CB-CD2 3.27Å; A16-F21 HydrophobicContact CB-CE2 3.94Å; A16-F21 HydrophobicContact CB-CG 3.79Å; A16-S69 WeakPolarHBondContact CB-O 3.39Å; A16-S69 PolarHBondContact N-O 2.89Å
17S91.8Very high94.3Very high103 Ų10351.7 Ų51.772%0.7232%0.322SS*.  trans-146.6139174.8600000110.8Y19S17-Y19 VanDerWaalsContact O-CD1 3.24Å; S17-Y19 WeakPolarHBondContact O-CD1 3.37Å
18G89.7Confident94.5Very high89 Ų8949.5 Ų49.592%0.91830%0.297SS*.SBendtrans78.220.517600000116
19Y87.2Confident94.5Very high53 Ų5347.9 Ų47.921%0.20828%0.284CS..SBendtrans-160.2166.6175.667.4-78.9000113.1A16 S17 F21 Y24 M26 R90A16-Y19 HydrophobicContact CB-CD1 4.32Å; A16-Y19 HydrophobicContact CB-CE1 3.47Å; A16-Y19 VanDerWaalsContact CB-CE1 3.47Å; A16-Y19 HydrophobicContact CB-CE2 4.19Å; A16-Y19 VanDerWaalsContact CB-OH 3.28Å; A16-Y19 WeakPolarHBondContact CB-OH 3.35Å; S17-Y19 VanDerWaalsContact O-CD1 3.24Å; S17-Y19 WeakPolarHBondContact O-CD1 3.37Å; Y19-F21 HydrophobicContact CE2-CB 4.43Å; Y19-F21 HydrophobicContact CE2-CD2 4.24Å; Y19-F21 PolarHBondContact O-N 3.21Å; Y19-Y24 AromaticContact CD2-CD2 3.38Å; Y19-Y24 HydrophobicContact CD2-CD2 3.38Å; Y19-Y24 AromaticContact CD2-CE2 3.56Å; Y19-Y24 HydrophobicContact CD2-CE2 3.56Å; Y19-Y24 HydrophobicContact CD2-CG 4.1Å; Y19-Y24 AromaticContact CE2-CD2 3.66Å; Y19-Y24 HydrophobicContact CE2-CD2 3.66Å; Y19-Y24 HydrophobicContact CE2-CE2 4.28Å; Y19-Y24 AromaticContact CE2-CG 3.97Å; Y19-Y24 HydrophobicContact CE2-CG 3.97Å; Y19-Y24 HydrophobicContact CG-CE2 4.36Å; Y19-M26 WeakPolarHBondContact OH-CE 3.33Å; Y19-R90 VanDerWaalsContact CB-NH1 3.31Å
20T91.8Very high94.6Very high92 Ų9244.8 Ų44.856%0.56426%0.262SS*.  trans-71.391.5171.8-50.50000110.4P22 S23 Y24T20-P22 VanDerWaalsContact C-CD 3.47Å; T20-P22 VanDerWaalsContact C-N 3.33Å; T20-S23 WeakPolarHBondContact CG2-OG 3.46Å; T20-S23 WeakPolarHBondContact O-CB 3.36Å; T20-S23 PolarHBondContact O-N 3.12Å; T20-Y24 WeakPolarHBondContact O-CD2 3.21Å
21F91.4Very high94.6Very high3 Ų347.6 Ų47.61%0.01328%0.275CS..G310 helixtrans-49.9-42.1-176.1176.6-120.6000114.8A16 Y19 S23 M26 P45 V64 S69 A71A16-F21 HydrophobicContact CB-CB 3.87Å; A16-F21 HydrophobicContact CB-CD2 3.27Å; A16-F21 HydrophobicContact CB-CE2 3.94Å; A16-F21 HydrophobicContact CB-CG 3.79Å; Y19-F21 HydrophobicContact CE2-CB 4.43Å; Y19-F21 HydrophobicContact CE2-CD2 4.24Å; Y19-F21 PolarHBondContact O-N 3.21Å; F21-S23 PolarHBondContact O-N 3Å; F21-S23 VanDerWaalsContact O-N 3.14Å; F21-M26 HydrophobicContact CE2-CE 3.91Å; F21-P45 HydrophobicContact CD1-CB 3.92Å; F21-P45 HydrophobicContact CD2-CG 4.3Å; F21-P45 HydrophobicContact CE1-CB 3.65Å; F21-P45 HydrophobicContact CE1-CG 4.11Å; F21-P45 HydrophobicContact CE2-CB 4.28Å; F21-P45 HydrophobicContact CE2-CG 3.86Å; F21-P45 HydrophobicContact CG-CB 4.39Å; F21-P45 HydrophobicContact CZ-CB 3.85Å; F21-P45 HydrophobicContact CZ-CG 3.77Å; F21-V64 HydrophobicContact CE1-CG2 3.37Å; F21-V64 HydrophobicContact CZ-CG2 3.63Å; F21-S69 VanDerWaalsContact CD1-CA 3.43Å; F21-S69 VanDerWaalsContact CE1-C 3.5Å; F21-A71 HydrophobicContact CZ-CB 4.12Å
22P92.8Very high94.5Very high51 Ų5144.5 Ų44.533%0.33126%0.26SS..G310 helixtrans-58.6-24.9176.7-28.437.5000115.4T20 Y24 Y93T20-P22 VanDerWaalsContact C-CD 3.47Å; T20-P22 VanDerWaalsContact C-N 3.33Å; P22-Y24 VanDerWaalsContact C-N 3.31Å; P22-Y24 PolarHBondContact O-N 2.65Å; P22-Y93 WeakPolarHBondContact O-CE2 3.48Å; P22-Y93 VanDerWaalsContact O-CZ 3.22Å; P22-Y93 PolarHBondContact O-OH 2.82Å
23S91.4Very high94.3Very high37 Ų3749.9 Ų49.926%0.25930%0.295SS..G310 helixtrans-82.43.8-172.2-55.90000115.4T20 F21 Y92 Y93T20-S23 WeakPolarHBondContact CG2-OG 3.46Å; T20-S23 WeakPolarHBondContact O-CB 3.36Å; T20-S23 PolarHBondContact O-N 3.12Å; F21-S23 PolarHBondContact O-N 3Å; F21-S23 VanDerWaalsContact O-N 3.14Å; S23-Y92 WeakPolarHBondContact O-CD2 3.01Å; S23-Y93 VanDerWaalsContact CA-CE2 3.44Å; S23-Y93 WeakPolarHBondContact O-CD2 3.17Å; S23-Y93 WeakPolarHBondContact O-CE2 2.92Å
24Y92.3Very high94.1Very high49 Ų4950.6 Ų50.619%0.19232%0.315CS..EExtended strand (participates in β ladder)trans-134142.7-174.6-66.6-102.3000110.6Y19 T20 P22 P45 R90 S91 Y92 Y93Y19-Y24 AromaticContact CD2-CD2 3.38Å; Y19-Y24 HydrophobicContact CD2-CD2 3.38Å; Y19-Y24 AromaticContact CD2-CE2 3.56Å; Y19-Y24 HydrophobicContact CD2-CE2 3.56Å; Y19-Y24 HydrophobicContact CD2-CG 4.1Å; Y19-Y24 AromaticContact CE2-CD2 3.66Å; Y19-Y24 HydrophobicContact CE2-CD2 3.66Å; Y19-Y24 HydrophobicContact CE2-CE2 4.28Å; Y19-Y24 AromaticContact CE2-CG 3.97Å; Y19-Y24 HydrophobicContact CE2-CG 3.97Å; Y19-Y24 HydrophobicContact CG-CE2 4.36Å; T20-Y24 WeakPolarHBondContact O-CD2 3.21Å; P22-Y24 VanDerWaalsContact C-N 3.31Å; P22-Y24 PolarHBondContact O-N 2.65Å; Y24-P45 WeakPolarHBondContact O-CD 3.33Å; Y24-P45 WeakPolarHBondContact O-CG 3.39Å; Y24-R90 HydrophobicContact CD1-CB 4.32Å; Y24-R90 HydrophobicContact CD1-CG 4Å; Y24-S91 CarbonylContact C-O 3.5Å; Y24-S91 VanDerWaalsContact CA-O 3.24Å; Y24-S91 WeakPolarHBondContact CA-O 3.47Å; Y24-S91 WeakPolarHBondContact CB-O 3.15Å; Y24-Y92 AromaticContact CD1-CD2 3.99Å; Y24-Y92 HydrophobicContact CD1-CD2 3.99Å; Y24-Y92 HydrophobicContact CD2-CD2 4.32Å; Y24-Y92 AromaticContact CE1-CD2 3.57Å; Y24-Y92 HydrophobicContact CE1-CD2 3.57Å; Y24-Y92 HydrophobicContact CE1-CG 4.16Å; Y24-Y92 AromaticContact CE2-CD2 3.92Å; Y24-Y92 HydrophobicContact CE2-CD2 3.92Å; Y24-Y92 HydrophobicContact CE2-CE2 4.26Å; Y24-Y92 HydrophobicContact CG-CD2 4.34Å; Y24-Y92 AromaticContact CZ-CD2 3.52Å; Y24-Y93 PolarHBondContact O-OH 3.45Å
25W94.3Very high94Very high53 Ų5354.7 Ų54.720%0.20133%0.333CS..EExtended strand (participates in β ladder)trans-67.7141162.7-69.799.5000109.8N42 I43 N44 R90 S91 Y93W25-N42 HydrophobicContact CE3-CB 4.14Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.21Å; W25-I43 VanDerWaalsContact CE3-C 3.43Å; W25-N44 HydrophobicContact CD2-CB 4.22Å; W25-N44 HydrophobicContact CE3-CB 3.69Å; W25-N44 VanDerWaalsContact CE3-N 3.32Å; W25-N44 HydrophobicContact CH2-CB 3.6Å; W25-N44 HydrophobicContact CZ2-CB 4.13Å; W25-N44 HydrophobicContact CZ3-CB 3.39Å; W25-R90 VanDerWaalsContact O-CA 3.29Å; W25-R90 WeakPolarHBondContact O-CA 3.35Å; W25-S91 PolarHBondContact N-O 3.21Å; W25-S91 PolarHBondContact O-N 3.44Å; W25-S91 VanDerWaalsContact O-N 3.16Å; W25-Y93 AromaticContact CD1-CD1 3.33Å; W25-Y93 AromaticContact CD1-CE1 3.55Å; W25-Y93 HydrophobicContact CD2-CD1 4.32Å; W25-Y93 AromaticContact CD2-CE1 3.87Å; W25-Y93 HydrophobicContact CD2-CE1 3.87Å; W25-Y93 AromaticContact CE2-CD1 3.79Å; W25-Y93 AromaticContact CE2-CE1 3.66Å; W25-Y93 HydrophobicContact CG-CD1 4.03Å; W25-Y93 AromaticContact CG-CE1 3.77Å; W25-Y93 HydrophobicContact CG-CE1 3.77Å; W25-Y93 HydrophobicContact CZ2-CE1 4.33Å; W25-Y93 AromaticContact NE1-CD1 3.2Å; W25-Y93 AromaticContact NE1-CE1 3.52Å
26M96.3Very high93.9Very high4 Ų450 Ų502%0.0233%0.328CS..EExtended strand (participates in β ladder)trans-103.3118.5167.3-172.861.567.300109.6Y19 F21 N42 I43 A71 C88 A89Y19-M26 WeakPolarHBondContact OH-CE 3.33Å; F21-M26 HydrophobicContact CE2-CE 3.91Å; M26-N42 CarbonylContact O-C 3.57Å; M26-N42 WeakPolarHBondContact O-CA 3.39Å; M26-N42 WeakPolarHBondContact O-CB 3.42Å; M26-I43 HydrophobicContact CB-CG2 4.03Å; M26-I43 PolarHBondContact N-O 2.92Å; M26-I43 PolarHBondContact O-N 2.79Å; M26-A71 HydrophobicContact CB-CB 4.01Å; M26-A71 HydrophobicContact CG-CB 3.57Å; M26-C88 HydrophobicContact SD-CB 3.79Å; M26-A89 VanDerWaalsContact SD-O 3.33Å
27H96.9Very high94Very high7 Ų754 Ų543%0.03235%0.347CS..EExtended strand (participates in β ladder)trans-98.4149.3178.9-61.1-107.4000110.4W39 G41 N42 C88 A89 S91 M100H27-W39 AromaticContact CG-NE1 3.99Å; H27-W39 AromaticContact ND1-NE1 3.26Å; H27-W39 PolarHBondContact ND1-NE1 2.91Å; H27-G41 WeakPolarHBondContact CA-O 3.14Å; H27-N42 HydrophobicContact CB-CB 4.46Å; H27-N42 PolarHBondContact CE1-ND2 3.1Å; H27-C88 CarbonylContact O-C 3.53Å; H27-C88 WeakPolarHBondContact O-CA 3.39Å; H27-A89 HydrophobicContact CB-CB 4.48Å; H27-A89 WeakPolarHBondContact CB-O 3.24Å; H27-A89 PolarHBondContact N-O 2.75Å; H27-A89 PolarHBondContact O-N 3.49Å; H27-S91 PolarHBondContact NE2-OG 3.48Å; H27-M100 HydrophobicContact CB-CE 4.12Å; H27-M100 HydrophobicContact CB-SD 4.03Å
28W98.1Very high94.3Very high5 Ų550.8 Ų50.82%0.01932%0.321CS..EExtended strand (participates in β ladder)trans-120135.9171.2-6992000109.9L12 C14 I40 G41 L62 A71 M73 Y87 C88L12-W28 HydrophobicContact CB-CH2 3.91Å; L12-W28 HydrophobicContact CB-CZ3 3.79Å; L12-W28 HydrophobicContact CD1-CZ3 4.42Å; C14-W28 HydrophobicContact CB-CH2 3.92Å; C14-W28 HydrophobicContact CB-CZ2 4.04Å; W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 2.95Å; W28-I40 PolarHBondContact O-N 2.82Å; W28-G41 PolarHBondContact N-O 3.36Å; W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4.08Å; W28-A71 HydrophobicContact CZ2-CB 4.48Å; W28-M73 HydrophobicContact CB-SD 3.78Å; W28-M73 HydrophobicContact CD2-CB 3.56Å; W28-M73 HydrophobicContact CD2-CE 4.2Å; W28-M73 HydrophobicContact CD2-CG 4.39Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-CE 3.69Å; W28-M73 HydrophobicContact CE3-SD 4.15Å; W28-M73 HydrophobicContact CG-CB 4.01Å; W28-M73 HydrophobicContact CG-CG 4.49Å; W28-M73 HydrophobicContact CG-SD 3.91Å; W28-M73 HydrophobicContact CH2-CB 4.12Å; W28-M73 HydrophobicContact CZ2-CB 3.83Å; W28-M73 HydrophobicContact CZ3-CB 4.15Å; W28-M73 HydrophobicContact CZ3-CE 4.23Å; W28-Y87 WeakPolarHBondContact CA-O 3.46Å; W28-C88 HydrophobicContact CE3-CB 4.33Å; W28-C88 HydrophobicContact CH2-CB 4.45Å; W28-C88 HydrophobicContact CZ3-CB 4.29Å
29V98.1Very high94.6Very high3 Ų350.1 Ų50.12%0.01829%0.291CS..EExtended strand (participates in β ladder)trans-138.8135.2-172.5-176.50000109.4L37 E38 Y86 Y87 M100 W103V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.85Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.5Å; V29-E38 WeakPolarHBondContact CG1-O 3.24Å; V29-Y86 CarbonylContact O-C 3.55Å; V29-Y86 WeakPolarHBondContact O-CA 3.38Å; V29-Y87 PolarHBondContact N-O 2.82Å; V29-Y87 PolarHBondContact O-N 2.83Å; V29-M100 HydrophobicContact CG2-CE 4.47Å; V29-M100 HydrophobicContact CG2-SD 4.17Å; V29-W103 HydrophobicContact CB-CH2 4.15Å; V29-W103 HydrophobicContact CB-CZ3 3.82Å; V29-W103 HydrophobicContact CG1-CH2 4.07Å; V29-W103 HydrophobicContact CG1-CZ3 3.97Å; V29-W103 HydrophobicContact CG2-CH2 3.74Å; V29-W103 HydrophobicContact CG2-CZ3 3.81Å
30K97.7Very high95.1Very high0 Ų047.6 Ų47.60%028%0.281CS..EExtended strand (participates in β ladder)trans-102.1140.4175.8-175.9179.1-178.3-179.90109.7R32 E38 I40 F56 E81 D82 A84 Y86K30-R32 VanDerWaalsContact NZ-NH2 3.16Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 3.45Å; K30-E38 PolarHBondContact O-N 2.81Å; K30-I40 HydrophobicContact CB-CD1 4.05Å; K30-I40 HydrophobicContact CB-CG1 4.21Å; K30-F56 HydrophobicContact CD-CE1 3.9Å; K30-F56 HydrophobicContact CD-CZ 4.09Å; K30-E81 PolarHBondContact NZ-O 3.22Å; K30-D82 IonicContact NZ-OD1 3.94Å; K30-D82 PolarHBondContact NZ-OD1 2.88Å; K30-D82 VanDerWaalsContact NZ-OD1 3.1Å; K30-A84 HydrophobicContact CD-CB 4.24Å; K30-A84 HydrophobicContact CG-CB 3.54Å; K30-Y86 HydrophobicContact CB-CD1 4.14Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.99Å; K30-Y86 HydrophobicContact CG-CD1 4.29Å; K30-Y86 HydrophobicContact CG-CE1 3.75Å
31Q97.9Very high95.4Very high65 Ų6543.2 Ų43.230%0.30425%0.254SS..EExtended strand (participates in β ladder)trans-132.2114170.3-166.9-177.726.500110.1L37 A84 V85 Y87Q31-L37 HydrophobicContact CB-CD2 3.95Å; Q31-L37 HydrophobicContact CG-CD2 4.05Å; Q31-A84 WeakPolarHBondContact O-CA 3.28Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; Q31-V85 PolarHBondContact N-O 3.39Å; Q31-V85 PolarHBondContact O-N 2.9Å; Q31-Y87 HydrophobicContact CB-CD2 4.39Å; Q31-Y87 HydrophobicContact CB-CE2 3.71Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.3Å; Q31-Y87 PolarHBondContact OE1-OH 3.46Å
32R95.8Very high95.6Very high54 Ų5443.8 Ų43.820%0.20426%0.257CS..  trans-82.6151.7170.9-59.7-165.9-169.784.52.7110.3K30 G34 Q35 E38 E81 A84K30-R32 VanDerWaalsContact NZ-NH2 3.16Å; R32-G34 PolarHBondContact O-N 2.82Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4Å; R32-Q35 PolarHBondContact O-N 2.94Å; R32-E38 IonicContact CZ-OE1 2.65Å; R32-E38 IonicContact NH1-OE1 2.67Å; R32-E38 PolarHBondContact NH1-OE1 2.85Å; R32-E38 IonicContact NH1-OE2 3.4Å; R32-E38 IonicContact NH2-OE1 3.1Å; R32-E81 PolarHBondContact NE-O 2.75Å; R32-A84 HydrophobicContact CG-CB 4.32Å
33P92.6Very high95.8Very high119 Ų11941.5 Ų41.577%0.77324%0.242SC*.THydrogen-bonded Turntrans-52.4127.3172.5-25.534.8000111.4Q35P33-Q35 PolarHBondContact O-N 2.9Å
34G93.5Very high96Very high93 Ų9340.3 Ų40.396%0.95923%0.233SC*.THydrogen-bonded Turntrans71.94.4-179.600000115.8R32R32-G34 PolarHBondContact O-N 2.82Å
35Q94.5Very high96.2Very high101 Ų10138 Ų3847%0.47222%0.223SC..SBendtrans-112.1162.1176.8-59.2-172-100111.8R32 P33R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4Å; R32-Q35 PolarHBondContact O-N 2.94Å; P33-Q35 PolarHBondContact O-N 2.9Å
36G94.9Very high96.1Very high56 Ų5637.9 Ų37.958%0.57723%0.231SC*.  trans-68.8176.217300000113.3
37L95.9Very high96Very high96 Ų9643.1 Ų43.150%0.50326%0.259SS..EExtended strand (participates in β ladder)trans-73.8129.5174.3-65.6171.4000110.4V29 Q31 Y87 W103V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.85Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; Q31-L37 HydrophobicContact CB-CD2 3.95Å; Q31-L37 HydrophobicContact CG-CD2 4.05Å; L37-Y87 HydrophobicContact CD2-CD2 4.45Å; L37-Y87 HydrophobicContact CD2-CE2 4.44Å; L37-W103 HydrophobicContact CD1-CH2 3.88Å; L37-W103 HydrophobicContact CD1-CZ2 4.49Å; L37-W103 HydrophobicContact CD1-CZ3 4.33Å; L37-W103 HydrophobicContact CD2-CZ3 4.46Å
38E97Very high95.9Very high36 Ų3644.3 Ų44.317%0.16827%0.274CS..EExtended strand (participates in β ladder)trans-111.2114.4174.5-68.1-172.8-82.400110V29 K30 R32 I40 K55 F56V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.5Å; V29-E38 WeakPolarHBondContact CG1-O 3.24Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 3.45Å; K30-E38 PolarHBondContact O-N 2.81Å; R32-E38 IonicContact CZ-OE1 2.65Å; R32-E38 IonicContact NH1-OE1 2.67Å; R32-E38 PolarHBondContact NH1-OE1 2.85Å; R32-E38 IonicContact NH1-OE2 3.4Å; R32-E38 IonicContact NH2-OE1 3.1Å; E38-I40 PolarHBondContact O-N 2.92Å; E38-K55 IonicContact OE2-NZ 3.72Å; E38-F56 HydrophobicContact CB-CE2 4.42Å; E38-F56 HydrophobicContact CB-CZ 4.32Å
39W96.8Very high95.8Very high76 Ų7645.5 Ų45.529%0.28829%0.287SS..EExtended strand (participates in β ladder)trans-71.5127.1175.6-178.670.9000110.9H27 G41 N42 N51 N53H27-W39 AromaticContact CG-NE1 3.99Å; H27-W39 AromaticContact ND1-NE1 3.26Å; H27-W39 PolarHBondContact ND1-NE1 2.91Å; W39-G41 VanDerWaalsContact CE2-C 3.45Å; W39-G41 PolarHBondContact NE1-O 3.08Å; W39-N42 HydrophobicContact CZ2-CB 4.05Å; W39-N51 HydrophobicContact CH2-CB 4.06Å; W39-N53 HydrophobicContact CE3-CB 3.89Å; W39-N53 HydrophobicContact CZ3-CB 4.07Å; W39-N53 WeakPolarHBondContact O-CB 3.48Å; W39-N53 PolarHBondContact O-ND2 2.94Å
40I97.9Very high95.8Very high0 Ų048.1 Ų48.10%030%0.303CS..EExtended strand (participates in β ladder)trans-90.7-48.4-178.6-61.2175.2000110.3W28 K30 E38 N53 F56 A60 M73 Y86W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 2.95Å; W28-I40 PolarHBondContact O-N 2.82Å; K30-I40 HydrophobicContact CB-CD1 4.05Å; K30-I40 HydrophobicContact CB-CG1 4.21Å; E38-I40 PolarHBondContact O-N 2.92Å; I40-N53 PolarHBondContact O-N 2.83Å; I40-F56 HydrophobicContact CB-CB 4.49Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.26Å; I40-F56 HydrophobicContact CG1-CD1 4.19Å; I40-F56 HydrophobicContact CG1-CD2 4.23Å; I40-F56 HydrophobicContact CG1-CE1 4.24Å; I40-F56 HydrophobicContact CG1-CE2 4.27Å; I40-F56 HydrophobicContact CG1-CG 4.18Å; I40-F56 HydrophobicContact CG1-CZ 4.28Å; I40-F56 HydrophobicContact CG2-CB 3.71Å; I40-F56 HydrophobicContact CG2-CD1 4.32Å; I40-F56 HydrophobicContact CG2-CD2 4.42Å; I40-F56 HydrophobicContact CG2-CG 3.91Å; I40-A60 HydrophobicContact CG2-CB 3.73Å; I40-M73 HydrophobicContact CD1-CE 3.94Å; I40-M73 HydrophobicContact CD1-SD 3.59Å; I40-M73 VanDerWaalsContact CD1-SD 3.59Å; I40-M73 HydrophobicContact CG2-SD 3.95Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å
41G97.1Very high95.7Very high0 Ų051.9 Ų51.90%032%0.323CS..EExtended strand (participates in β ladder)trans171.5177.4-171.600000112.3H27 W28 W39 N51H27-G41 WeakPolarHBondContact CA-O 3.14Å; W28-G41 PolarHBondContact N-O 3.36Å; W39-G41 VanDerWaalsContact CE2-C 3.45Å; W39-G41 PolarHBondContact NE1-O 3.08Å; G41-N51 CarbonylContact C-O 3.5Å; G41-N51 WeakPolarHBondContact CA-O 3.14Å
42N96.6Very high95.7Very high14 Ų1451.4 Ų51.48%0.07532%0.319CS..EExtended strand (participates in β ladder)trans-140.5159.3170.566.734.1000111.7W25 M26 H27 W39 T50 N51 L62W25-N42 HydrophobicContact CE3-CB 4.14Å; W25-N42 WeakPolarHBondContact CZ3-OD1 3.21Å; M26-N42 CarbonylContact O-C 3.57Å; M26-N42 WeakPolarHBondContact O-CA 3.39Å; M26-N42 WeakPolarHBondContact O-CB 3.42Å; H27-N42 HydrophobicContact CB-CB 4.46Å; H27-N42 PolarHBondContact CE1-ND2 3.1Å; W39-N42 HydrophobicContact CZ2-CB 4.05Å; N42-T50 VanDerWaalsContact O-CA 3.26Å; N42-T50 WeakPolarHBondContact O-CA 3.2Å; N42-N51 PolarHBondContact N-O 3.13Å; N42-N51 PolarHBondContact O-N 2.81Å; N42-N51 WeakPolarHBondContact OD1-CB 3.23Å; N42-N51 PolarHBondContact OD1-ND2 2.81Å; N42-L62 WeakPolarHBondContact O-CD1 3.48Å
43I97.1Very high95.7Very high3 Ų351.1 Ų51.12%0.01532%0.322CS..EExtended strand (participates in β ladder)trans-129.8138.4173.2-174.2164.7000109.4W25 M26 P45 G49 T50 L62 V64 A71W25-I43 VanDerWaalsContact CE3-C 3.43Å; M26-I43 HydrophobicContact CB-CG2 4.03Å; M26-I43 PolarHBondContact N-O 2.92Å; M26-I43 PolarHBondContact O-N 2.79Å; I43-P45 VanDerWaalsContact O-CD 3.26Å; I43-P45 WeakPolarHBondContact O-CD 3.38Å; I43-G49 CarbonylContact C-O 3.57Å; I43-G49 WeakPolarHBondContact CA-O 3.43Å; I43-T50 HydrophobicContact CB-CG2 3.93Å; I43-T50 HydrophobicContact CD1-CG2 3.88Å; I43-T50 HydrophobicContact CG1-CG2 3.75Å; I43-L62 HydrophobicContact CB-CB 4.13Å; I43-L62 HydrophobicContact CB-CD1 4.44Å; I43-L62 HydrophobicContact CD1-CB 4.31Å; I43-L62 HydrophobicContact CG2-CB 4.49Å; I43-V64 HydrophobicContact CD1-CB 4.03Å; I43-V64 HydrophobicContact CD1-CG1 3.94Å; I43-A71 HydrophobicContact CG2-CB 4.48Å
44N95.3Very high95.9Very high12 Ų1251.7 Ų51.76%0.06431%0.314CS..  trans-85.7109.5170.6178.2-41.4000108.5W25 S46 N47 G48 G49 Y93W25-N44 HydrophobicContact CD2-CB 4.22Å; W25-N44 HydrophobicContact CE3-CB 3.69Å; W25-N44 VanDerWaalsContact CE3-N 3.32Å; W25-N44 HydrophobicContact CH2-CB 3.6Å; W25-N44 HydrophobicContact CZ2-CB 4.13Å; W25-N44 HydrophobicContact CZ3-CB 3.39Å; N44-S46 PolarHBondContact O-N 3.45Å; N44-S46 VanDerWaalsContact OD1-CA 3.29Å; N44-S46 WeakPolarHBondContact OD1-CA 3.46Å; N44-S46 VanDerWaalsContact OD1-CB 3.24Å; N44-S46 WeakPolarHBondContact OD1-CB 3.01Å; N44-S46 PolarHBondContact OD1-N 2.8Å; N44-S46 PolarHBondContact OD1-OG 2.9Å; N44-N47 VanDerWaalsContact CB-OD1 3.28Å; N44-N47 WeakPolarHBondContact CB-OD1 3.38Å; N44-N47 PolarHBondContact ND2-OD1 2.98Å; N44-N47 PolarHBondContact O-N 2.91Å; N44-N47 PolarHBondContact OD1-N 2.67Å; N44-N47 VanDerWaalsContact OD1-N 3.09Å; N44-N47 PolarHBondContact OD1-OD1 3.48Å; N44-G48 VanDerWaalsContact O-CA 3.25Å; N44-G48 WeakPolarHBondContact O-CA 3.14Å; N44-G48 PolarHBondContact O-N 2.95Å; N44-G49 PolarHBondContact N-O 3.49Å; N44-Y93 HydrophobicContact CB-CE1 4.3Å; N44-Y93 VanDerWaalsContact ND2-CE1 3.27Å; N44-Y93 WeakPolarHBondContact ND2-CE1 3.31Å; N44-Y93 PolarHBondContact ND2-OH 3.49Å; N44-Y93 PolarHBondContact OD1-OH 3.47Å
45P95.4Very high95.9Very high0 Ų054.5 Ų54.50%030%0.3CS..THydrogen-bonded Turntrans-65.2-19179.2-25.639.5000114.2F21 Y24 I43 V64 K66 Y93F21-P45 HydrophobicContact CD1-CB 3.92Å; F21-P45 HydrophobicContact CD2-CG 4.3Å; F21-P45 HydrophobicContact CE1-CB 3.65Å; F21-P45 HydrophobicContact CE1-CG 4.11Å; F21-P45 HydrophobicContact CE2-CB 4.28Å; F21-P45 HydrophobicContact CE2-CG 3.86Å; F21-P45 HydrophobicContact CG-CB 4.39Å; F21-P45 HydrophobicContact CZ-CB 3.85Å; F21-P45 HydrophobicContact CZ-CG 3.77Å; Y24-P45 WeakPolarHBondContact O-CD 3.33Å; Y24-P45 WeakPolarHBondContact O-CG 3.39Å; I43-P45 VanDerWaalsContact O-CD 3.26Å; I43-P45 WeakPolarHBondContact O-CD 3.38Å; P45-V64 HydrophobicContact CB-CG2 3.9Å; P45-V64 HydrophobicContact CG-CG2 4.49Å; P45-K66 WeakPolarHBondContact O-CD 3.41Å; P45-K66 WeakPolarHBondContact O-CE 3.43Å; P45-K66 WeakPolarHBondContact O-CG 3.46Å; P45-Y93 VanDerWaalsContact CD-OH 3.31Å; P45-Y93 WeakPolarHBondContact CD-OH 3.27Å
46S93.8Very high96Very high52 Ų5250.1 Ų50.136%0.36428%0.279SS..THydrogen-bonded Turntrans-75.3-40.2179.278.10000113.2N44 K66N44-S46 PolarHBondContact O-N 3.45Å; N44-S46 VanDerWaalsContact OD1-CA 3.29Å; N44-S46 WeakPolarHBondContact OD1-CA 3.46Å; N44-S46 VanDerWaalsContact OD1-CB 3.24Å; N44-S46 WeakPolarHBondContact OD1-CB 3.01Å; N44-S46 PolarHBondContact OD1-N 2.8Å; N44-S46 PolarHBondContact OD1-OG 2.9Å; S46-K66 PolarHBondContact O-NZ 3.15Å
47N93.9Very high96Very high113 Ų11352.7 Ų52.760%0.60427%0.274SS*.THydrogen-bonded Turntrans-127.6-5.3-174.867.113.8000114.6N44 G49N44-N47 VanDerWaalsContact CB-OD1 3.28Å; N44-N47 WeakPolarHBondContact CB-OD1 3.38Å; N44-N47 PolarHBondContact ND2-OD1 2.98Å; N44-N47 PolarHBondContact O-N 2.91Å; N44-N47 PolarHBondContact OD1-N 2.67Å; N44-N47 VanDerWaalsContact OD1-N 3.09Å; N44-N47 PolarHBondContact OD1-OD1 3.48Å; N47-G49 VanDerWaalsContact C-N 3.28Å; N47-G49 PolarHBondContact O-N 3.19Å; N47-G49 PolarHBondContact OD1-N 3.13Å
48G94.8Very high96Very high33 Ų3353.2 Ų53.234%0.3429%0.286SS..  trans78.95.2-179.800000114.6N44 T50N44-G48 VanDerWaalsContact O-CA 3.25Å; N44-G48 WeakPolarHBondContact O-CA 3.14Å; N44-G48 PolarHBondContact O-N 2.95Å; G48-T50 PolarHBondContact O-N 2.94Å
49G95.9Very high95.9Very high30 Ų3053.8 Ų53.831%0.30929%0.288SS..  trans-59.5136.4175.400000111.1I43 N44 N47I43-G49 CarbonylContact C-O 3.57Å; I43-G49 WeakPolarHBondContact CA-O 3.43Å; N44-G49 PolarHBondContact N-O 3.49Å; N47-G49 VanDerWaalsContact C-N 3.28Å; N47-G49 PolarHBondContact O-N 3.19Å; N47-G49 PolarHBondContact OD1-N 3.13Å
50T97Very high96Very high57 Ų5750.3 Ų50.335%0.3528%0.276SS..EExtended strand (participates in β ladder)trans-125.5144.7-176.849.90000111.3N42 I43 G48 Y52 L62N42-T50 VanDerWaalsContact O-CA 3.26Å; N42-T50 WeakPolarHBondContact O-CA 3.2Å; I43-T50 HydrophobicContact CB-CG2 3.93Å; I43-T50 HydrophobicContact CD1-CG2 3.88Å; I43-T50 HydrophobicContact CG1-CG2 3.75Å; G48-T50 PolarHBondContact O-N 2.94Å; T50-Y52 HydrophobicContact CG2-CE2 4.46Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.01Å; T50-L62 HydrophobicContact CG2-CB 3.98Å
51N96.3Very high96Very high79 Ų7953.8 Ų53.842%0.42230%0.297SS..EExtended strand (participates in β ladder)trans-124.6145.2168-57.8-73.3000108.6W39 G41 N42W39-N51 HydrophobicContact CH2-CB 4.06Å; G41-N51 CarbonylContact C-O 3.5Å; G41-N51 WeakPolarHBondContact CA-O 3.14Å; N42-N51 PolarHBondContact N-O 3.13Å; N42-N51 PolarHBondContact O-N 2.81Å; N42-N51 WeakPolarHBondContact OD1-CB 3.23Å; N42-N51 PolarHBondContact OD1-ND2 2.81Å
52Y97.4Very high96Very high56 Ų5654.2 Ų54.222%0.2230%0.299CS..EExtended strand (participates in β ladder)trans-129.3149.1-178.2-66.6-87.5000110.6T50 K57 A60 L62T50-Y52 HydrophobicContact CG2-CE2 4.46Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.01Å; Y52-K57 HydrophobicContact CD2-CG 4.47Å; Y52-K57 HydrophobicContact CG-CG 4.29Å; Y52-A60 HydrophobicContact CE1-CB 4.36Å; Y52-A60 WeakPolarHBondContact CE1-O 3.29Å; Y52-L62 HydrophobicContact CE1-CD1 4.01Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 3.23Å; Y52-L62 VanDerWaalsContact OH-N 3.09Å
53N96.7Very high96.1Very high47 Ų4756.4 Ų56.425%0.25131%0.313SS..  trans-74.7131.6155.4-179.7-23.3000108.3W39 I40 K55 F56 K57W39-N53 HydrophobicContact CE3-CB 3.89Å; W39-N53 HydrophobicContact CZ3-CB 4.07Å; W39-N53 WeakPolarHBondContact O-CB 3.48Å; W39-N53 PolarHBondContact O-ND2 2.94Å; I40-N53 PolarHBondContact O-N 2.83Å; N53-K55 PolarHBondContact O-N 3.36Å; N53-K55 PolarHBondContact OD1-N 3.07Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.95Å; N53-K57 PolarHBondContact O-N 2.98Å
54E96.2Very high96.1Very high131 Ų13158 Ų5861%0.61232%0.323SS*.THydrogen-bonded Turntrans-54.6-30.9-176.3-69.1-60.9148.400112.9F56 K57E54-F56 PolarHBondContact O-N 2.9Å; E54-K57 IonicContact OE1-NZ 3.38Å; E54-K57 PolarHBondContact OE1-NZ 3.41Å; E54-K57 VanDerWaalsContact OE2-CD 3.23Å; E54-K57 WeakPolarHBondContact OE2-CD 2.99Å; E54-K57 IonicContact OE2-NZ 3.86Å; E54-K57 PolarHBondContact OE2-NZ 3.26Å
55K94.4Very high96.2Very high152 Ų15260.1 Ų60.166%0.66133%0.334SS*.THydrogen-bonded Turntrans-59.1-28.3175-70.3-177.8177.4-178.50114.3E38 N53E38-K55 IonicContact OE2-NZ 3.72Å; N53-K55 PolarHBondContact O-N 3.36Å; N53-K55 PolarHBondContact OD1-N 3.07Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å
56F96Very high96.1Very high9 Ų965.4 Ų65.44%0.03936%0.357CS..THydrogen-bonded Turntrans-113.4-7.9-172.5-61.8-82.5000113.5K30 E38 I40 N53 E54 S58 K59 A60K30-F56 HydrophobicContact CD-CE1 3.9Å; K30-F56 HydrophobicContact CD-CZ 4.09Å; E38-F56 HydrophobicContact CB-CE2 4.42Å; E38-F56 HydrophobicContact CB-CZ 4.32Å; I40-F56 HydrophobicContact CB-CB 4.49Å; I40-F56 HydrophobicContact CB-CD2 4.32Å; I40-F56 HydrophobicContact CB-CG 4.26Å; I40-F56 HydrophobicContact CG1-CD1 4.19Å; I40-F56 HydrophobicContact CG1-CD2 4.23Å; I40-F56 HydrophobicContact CG1-CE1 4.24Å; I40-F56 HydrophobicContact CG1-CE2 4.27Å; I40-F56 HydrophobicContact CG1-CG 4.18Å; I40-F56 HydrophobicContact CG1-CZ 4.28Å; I40-F56 HydrophobicContact CG2-CB 3.71Å; I40-F56 HydrophobicContact CG2-CD1 4.32Å; I40-F56 HydrophobicContact CG2-CD2 4.42Å; I40-F56 HydrophobicContact CG2-CG 3.91Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.95Å; E54-F56 PolarHBondContact O-N 2.9Å; F56-S58 PolarHBondContact O-N 3Å; F56-S58 VanDerWaalsContact O-N 3.15Å; F56-K59 PolarHBondContact O-N 3.36Å; F56-A60 HydrophobicContact CB-CB 4.37Å; F56-A60 PolarHBondContact O-N 3Å
57K94.6Very high96Very high110 Ų11068.2 Ų68.248%0.47838%0.377SS..THydrogen-bonded Turntrans-58-30.8-173.1-166.8177-171.2174.30114.1Y52 N53 E54Y52-K57 HydrophobicContact CD2-CG 4.47Å; Y52-K57 HydrophobicContact CG-CG 4.29Å; N53-K57 PolarHBondContact O-N 2.98Å; E54-K57 IonicContact OE1-NZ 3.38Å; E54-K57 PolarHBondContact OE1-NZ 3.41Å; E54-K57 VanDerWaalsContact OE2-CD 3.23Å; E54-K57 WeakPolarHBondContact OE2-CD 2.99Å; E54-K57 IonicContact OE2-NZ 3.86Å; E54-K57 PolarHBondContact OE2-NZ 3.26Å
58S95.1Very high96.1Very high107 Ų10764.6 Ų64.675%0.74836%0.361SS*.THydrogen-bonded Turntrans-87.4-15.917658.80000114.2F56F56-S58 PolarHBondContact O-N 3Å; F56-S58 VanDerWaalsContact O-N 3.15Å
59K95.8Very high96.2Very high48 Ų4865 Ų6521%0.20936%0.358CS..THydrogen-bonded Turntrans-103.9-32.1-176-85.1-166.2170.2-171.90113.7F56 L75 S76 D82F56-K59 PolarHBondContact O-N 3.36Å; K59-L75 WeakPolarHBondContact O-CA 3.42Å; K59-S76 PolarHBondContact O-N 3.04Å; K59-S76 PolarHBondContact O-OG 3.5Å; K59-D82 IonicContact NZ-OD1 2.83Å; K59-D82 PolarHBondContact NZ-OD1 2.9Å; K59-D82 IonicContact NZ-OD2 3.48Å; K59-D82 PolarHBondContact NZ-OD2 2.86Å
60A97.9Very high96.3Very high3 Ų364 Ų643%0.02535%0.346CS..EExtended strand (participates in β ladder)trans-107.7131-171.800000111.4I40 Y52 F56 M73 Q74 L75I40-A60 HydrophobicContact CG2-CB 3.73Å; Y52-A60 HydrophobicContact CE1-CB 4.36Å; Y52-A60 WeakPolarHBondContact CE1-O 3.29Å; F56-A60 HydrophobicContact CB-CB 4.37Å; F56-A60 PolarHBondContact O-N 3Å; A60-M73 HydrophobicContact CB-CG 4.44Å; A60-M73 HydrophobicContact CB-SD 4.45Å; A60-Q74 CarbonylContact C-O 3.59Å; A60-Q74 WeakPolarHBondContact CA-O 3.43Å; A60-L75 HydrophobicContact CB-CD2 3.92Å
61T98.4Very high96.3Very high73 Ų7361.2 Ų61.245%0.44833%0.329SS..EExtended strand (participates in β ladder)trans-116.5118.7169.8-59.10000109T63 M73 Q74T61-T63 HydrophobicContact CG2-CG2 4.29Å; T61-M73 WeakPolarHBondContact O-CA 3.13Å; T61-Q74 PolarHBondContact N-O 2.93Å; T61-Q74 PolarHBondContact O-N 2.91Å
62L98.5Very high96.4Very high9 Ų959.9 Ų59.95%0.04732%0.318CS..EExtended strand (participates in β ladder)trans-96.7132.5178.4-52.6-175.2000110.6W28 N42 I43 T50 Y52 Y72 M73W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4.08Å; N42-L62 WeakPolarHBondContact O-CD1 3.48Å; I43-L62 HydrophobicContact CB-CB 4.13Å; I43-L62 HydrophobicContact CB-CD1 4.44Å; I43-L62 HydrophobicContact CD1-CB 4.31Å; I43-L62 HydrophobicContact CG2-CB 4.49Å; T50-L62 HydrophobicContact CG2-CB 3.98Å; Y52-L62 HydrophobicContact CE1-CD1 4.01Å; Y52-L62 HydrophobicContact CE1-CG 3.7Å; Y52-L62 PolarHBondContact OH-N 3.23Å; Y52-L62 VanDerWaalsContact OH-N 3.09Å; L62-Y72 WeakPolarHBondContact CA-O 3.37Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.65Å; L62-M73 HydrophobicContact CD2-SD 4.22Å
63T98.2Very high96.5Very high60 Ų6057.2 Ų57.237%0.36831%0.308SS..EExtended strand (participates in β ladder)trans-139.2165.8176.956.90000110.8T61 Y72T61-T63 HydrophobicContact CG2-CG2 4.29Å; T63-Y72 PolarHBondContact N-O 3.16Å; T63-Y72 PolarHBondContact O-N 2.8Å
64V97.6Very high96.6Very high37 Ų3759.1 Ų59.122%0.22432%0.315CS..EExtended strand (participates in β ladder)trans-142139.5-17962.90000110.8F21 I43 P45F21-V64 HydrophobicContact CE1-CG2 3.37Å; F21-V64 HydrophobicContact CZ-CG2 3.63Å; I43-V64 HydrophobicContact CD1-CB 4.03Å; I43-V64 HydrophobicContact CD1-CG1 3.94Å; P45-V64 HydrophobicContact CB-CG2 3.9Å; P45-V64 HydrophobicContact CG-CG2 4.49Å
65D96.2Very high96.6Very high56 Ų5653 Ų5330%0.29929%0.287SS..EExtended strand (participates in β ladder)trans-112.6108.3165.7175.67.5000108.7S67 S68 S69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.45Å; D65-S67 PolarHBondContact OD1-N 3.28Å; D65-S67 PolarHBondContact OD1-OG 3.16Å; D65-S67 PolarHBondContact OD2-OG 2.94Å; D65-S68 WeakPolarHBondContact CB-OG 3.49Å; D65-S68 PolarHBondContact OD1-N 2.89Å; D65-S68 VanDerWaalsContact OD2-CB 3.32Å; D65-S68 WeakPolarHBondContact OD2-CB 3.2Å; D65-S68 PolarHBondContact OD2-OG 3.21Å; D65-S69 WeakPolarHBondContact O-CA 3.28Å; D65-S69 PolarHBondContact O-N 2.83Å; D65-S69 VanDerWaalsContact O-N 3.11Å; D65-T70 PolarHBondContact N-O 2.83Å; D65-T70 PolarHBondContact O-N 3.15Å; D65-Y72 HydrophobicContact CB-CE2 3.91Å
66K93.4Very high96.8Very high112 Ų11247.4 Ų47.449%0.48727%0.267SS..THydrogen-bonded Turntrans-70.3-31.1-178.8-55.8-174.6-158.1179.60111.8P45 S46 S69P45-K66 WeakPolarHBondContact O-CD 3.41Å; P45-K66 WeakPolarHBondContact O-CE 3.43Å; P45-K66 WeakPolarHBondContact O-CG 3.46Å; S46-K66 PolarHBondContact O-NZ 3.15Å; K66-S69 PolarHBondContact O-N 2.92Å
67S92.9Very high96.8Very high111 Ų11150.5 Ų50.578%0.77629%0.29SS*.THydrogen-bonded Turntrans-66.6-40.3-176.772.60000111.4D65D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.45Å; D65-S67 PolarHBondContact OD1-N 3.28Å; D65-S67 PolarHBondContact OD1-OG 3.16Å; D65-S67 PolarHBondContact OD2-OG 2.94Å
68S95.8Very high96.8Very high37 Ų3745.4 Ų45.426%0.25927%0.267SS..THydrogen-bonded Turntrans-93.21.2176.2660000113.8D65 T70D65-S68 WeakPolarHBondContact CB-OG 3.49Å; D65-S68 PolarHBondContact OD1-N 2.89Å; D65-S68 VanDerWaalsContact OD2-CB 3.32Å; D65-S68 WeakPolarHBondContact OD2-CB 3.2Å; D65-S68 PolarHBondContact OD2-OG 3.21Å; S68-T70 PolarHBondContact O-N 3.06Å; S68-T70 PolarHBondContact O-OG1 3.38Å; S68-T70 VanDerWaalsContact O-OG1 3.04Å; S68-T70 WeakPolarHBondContact OG-CB 3.19Å; S68-T70 PolarHBondContact OG-OG1 2.03Å
69S96.5Very high96.9Very high41 Ų4142.9 Ų42.929%0.28725%0.248SC..THydrogen-bonded Turntrans49.944.2-173.5-62.90000112.9A16 F21 D65 K66A16-S69 WeakPolarHBondContact CB-O 3.39Å; A16-S69 PolarHBondContact N-O 2.89Å; F21-S69 VanDerWaalsContact CD1-CA 3.43Å; F21-S69 VanDerWaalsContact CE1-C 3.5Å; D65-S69 WeakPolarHBondContact O-CA 3.28Å; D65-S69 PolarHBondContact O-N 2.83Å; D65-S69 VanDerWaalsContact O-N 3.11Å; K66-S69 PolarHBondContact O-N 2.92Å
70T97.8Very high96.8Very high8 Ų844.7 Ų44.75%0.04927%0.266CS..EExtended strand (participates in β ladder)trans-122.7129-174.3-55.50000110.9C14 K15 D65 S68 Y72C14-T70 WeakPolarHBondContact O-CA 3.33Å; K15-T70 HydrophobicContact CB-CG2 4.45Å; D65-T70 PolarHBondContact N-O 2.83Å; D65-T70 PolarHBondContact O-N 3.15Å; S68-T70 PolarHBondContact O-N 3.06Å; S68-T70 PolarHBondContact O-OG1 3.38Å; S68-T70 VanDerWaalsContact O-OG1 3.04Å; S68-T70 WeakPolarHBondContact OG-CB 3.19Å; S68-T70 PolarHBondContact OG-OG1 2.03Å; T70-Y72 HydrophobicContact CG2-CD1 4.27Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.66Å; T70-Y72 HydrophobicContact CG2-CE2 3.74Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.3Å
71A97.9Very high96.6Very high0 Ų050.8 Ų50.80%029%0.294CS..EExtended strand (participates in β ladder)trans-95.1149.616800000110S13 C14 F21 M26 W28 I43S13-A71 CarbonylContact C-O 3.49Å; S13-A71 WeakPolarHBondContact CA-O 3.48Å; C14-A71 PolarHBondContact N-O 2.81Å; C14-A71 PolarHBondContact O-N 3.05Å; F21-A71 HydrophobicContact CZ-CB 4.12Å; M26-A71 HydrophobicContact CB-CB 4.01Å; M26-A71 HydrophobicContact CG-CB 3.57Å; W28-A71 HydrophobicContact CZ2-CB 4.48Å; I43-A71 HydrophobicContact CG2-CB 4.48Å
72Y98.3Very high96.5Very high51 Ų5147.6 Ų47.620%0.227%0.274CS..EExtended strand (participates in β ladder)trans-131.3147.4178-55.2-89.8000111.1K11 L12 S13 L62 T63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.43Å; K11-Y72 VanDerWaalsContact CE-CD1 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.41Å; L12-Y72 CarbonylContact O-C 3.48Å; L12-Y72 WeakPolarHBondContact O-CA 3.45Å; S13-Y72 VanDerWaalsContact CB-CD1 3.47Å; S13-Y72 VanDerWaalsContact CB-CE1 3.44Å; L62-Y72 WeakPolarHBondContact CA-O 3.37Å; T63-Y72 PolarHBondContact N-O 3.16Å; T63-Y72 PolarHBondContact O-N 2.8Å; D65-Y72 HydrophobicContact CB-CE2 3.91Å; T70-Y72 HydrophobicContact CG2-CD1 4.27Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 3.66Å; T70-Y72 HydrophobicContact CG2-CE2 3.74Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.3Å
73M98.4Very high96.4Very high0 Ų048.8 Ų48.80%028%0.284CS..EExtended strand (participates in β ladder)trans-124.4122166.7175.6178.669.100108.4K11 L12 W28 I40 A60 T61 L62 L75 Y86K11-M73 WeakPolarHBondContact CA-O 3.45Å; L12-M73 HydrophobicContact CD1-CE 3.73Å; L12-M73 PolarHBondContact N-O 2.96Å; L12-M73 PolarHBondContact O-N 2.74Å; W28-M73 HydrophobicContact CB-SD 3.78Å; W28-M73 HydrophobicContact CD2-CB 3.56Å; W28-M73 HydrophobicContact CD2-CE 4.2Å; W28-M73 HydrophobicContact CD2-CG 4.39Å; W28-M73 HydrophobicContact CD2-SD 4.05Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-CE 3.69Å; W28-M73 HydrophobicContact CE3-SD 4.15Å; W28-M73 HydrophobicContact CG-CB 4.01Å; W28-M73 HydrophobicContact CG-CG 4.49Å; W28-M73 HydrophobicContact CG-SD 3.91Å; W28-M73 HydrophobicContact CH2-CB 4.12Å; W28-M73 HydrophobicContact CZ2-CB 3.83Å; W28-M73 HydrophobicContact CZ3-CB 4.15Å; W28-M73 HydrophobicContact CZ3-CE 4.23Å; I40-M73 HydrophobicContact CD1-CE 3.94Å; I40-M73 HydrophobicContact CD1-SD 3.59Å; I40-M73 VanDerWaalsContact CD1-SD 3.59Å; I40-M73 HydrophobicContact CG2-SD 3.95Å; A60-M73 HydrophobicContact CB-CG 4.44Å; A60-M73 HydrophobicContact CB-SD 4.45Å; T61-M73 WeakPolarHBondContact O-CA 3.13Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.65Å; L62-M73 HydrophobicContact CD2-SD 4.22Å; M73-L75 HydrophobicContact CE-CD1 3.84Å; M73-L75 HydrophobicContact CE-CD2 4.23Å; M73-L75 HydrophobicContact CE-CG 3.97Å; M73-L75 HydrophobicContact CG-CD2 4.34Å; M73-L75 HydrophobicContact CG-CG 4.28Å; M73-L75 HydrophobicContact SD-CD2 4.01Å; M73-L75 HydrophobicContact SD-CG 4.27Å; M73-Y86 HydrophobicContact CE-CD1 3.64Å; M73-Y86 HydrophobicContact CE-CE1 4.17Å; M73-Y86 HydrophobicContact CE-CG 4.26Å
74Q98.3Very high96.4Very high87 Ų8746.1 Ų46.141%0.40727%0.268SS..EExtended strand (participates in β ladder)trans-98.1124.2168.5-176.3173.8300108.9V10 A60 T61V10-Q74 CarbonylContact O-C 3.52Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.46Å; A60-Q74 CarbonylContact C-O 3.59Å; A60-Q74 WeakPolarHBondContact CA-O 3.43Å; T61-Q74 PolarHBondContact N-O 2.93Å; T61-Q74 PolarHBondContact O-N 2.91Å
75L97.6Very high96.5Very high2 Ų246.3 Ų46.31%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-103.4129.7170.4-62.6164.5000108.7S9 V10 K59 A60 M73 L78 Y86S9-L75 CarbonylContact C-O 3.58Å; S9-L75 WeakPolarHBondContact CA-O 3.31Å; S9-L75 WeakPolarHBondContact CB-O 3.48Å; V10-L75 HydrophobicContact CG1-CB 3.99Å; V10-L75 HydrophobicContact CG1-CD1 4.14Å; V10-L75 HydrophobicContact CG1-CG 4.49Å; V10-L75 PolarHBondContact N-O 3.11Å; V10-L75 PolarHBondContact O-N 3.06Å; K59-L75 WeakPolarHBondContact O-CA 3.42Å; A60-L75 HydrophobicContact CB-CD2 3.92Å; M73-L75 HydrophobicContact CE-CD1 3.84Å; M73-L75 HydrophobicContact CE-CD2 4.23Å; M73-L75 HydrophobicContact CE-CG 3.97Å; M73-L75 HydrophobicContact CG-CD2 4.34Å; M73-L75 HydrophobicContact CG-CG 4.28Å; M73-L75 HydrophobicContact SD-CD2 4.01Å; M73-L75 HydrophobicContact SD-CG 4.27Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; L75-Y86 HydrophobicContact CD1-CD1 4.15Å; L75-Y86 HydrophobicContact CD1-CE1 3.51Å; L75-Y86 HydrophobicContact CD1-CE2 4.17Å
76S97.1Very high96.6Very high34 Ų3443.8 Ų43.824%0.23826%0.255CS..  trans-107157.5179.557.70000112.3S9 K59 L78S9-S76 WeakPolarHBondContact OG-CA 3.2Å; K59-S76 PolarHBondContact O-N 3.04Å; K59-S76 PolarHBondContact O-OG 3.5Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.82Å
77S96.1Very high96.8Very high75 Ų7540.5 Ų40.552%0.52424%0.24SC..SBendtrans5150.8171.8-57.70000112.9A8A8-S77 PolarHBondContact O-N 2.86Å
78L96.3Very high97Very high2 Ų236 Ų361%0.0121%0.208CC..  trans-63138-173.4-69.6174.7000112.2V4 P6 G7 A8 V10 L75 S76 D82 V109 V111V4-L78 HydrophobicContact CB-CD1 4.48Å; V4-L78 HydrophobicContact CG2-CD1 3.59Å; P6-L78 WeakPolarHBondContact CA-O 3.14Å; G7-L78 PolarHBondContact N-O 2.86Å; A8-L78 WeakPolarHBondContact O-CB 3.26Å; A8-L78 WeakPolarHBondContact O-CG 3.21Å; A8-L78 PolarHBondContact O-N 3.04Å; V10-L78 HydrophobicContact CB-CD1 3.94Å; V10-L78 HydrophobicContact CG1-CD1 3.74Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 2.82Å; L78-D82 HydrophobicContact CD2-CB 3.67Å; L78-V109 HydrophobicContact CD1-CG1 4.48Å; L78-V111 HydrophobicContact CB-CG1 4.27Å; L78-V111 HydrophobicContact CB-CG2 3.97Å; L78-V111 HydrophobicContact CD1-CG2 4.35Å
79T95.9Very high97Very high54 Ų5434.3 Ų34.333%0.33120%0.196SC..  trans-115.5169.4173.162.40000110.5E81 D82 V111T79-E81 PolarHBondContact O-N 3.06Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-D82 PolarHBondContact N-OD2 3.09Å; T79-D82 WeakPolarHBondContact O-CB 3.41Å; T79-D82 PolarHBondContact O-N 2.86Å; T79-D82 PolarHBondContact OG1-OD2 2.9Å; T79-V111 WeakPolarHBondContact O-CB 3.34Å; T79-V111 WeakPolarHBondContact O-CG2 3.4Å
80S94.7Very high96.8Very high86 Ų8633.8 Ų33.860%0.60119%0.188SC*.G310 helixtrans-53.4-33.1175.551.10000112.7D82 S83S80-D82 PolarHBondContact O-N 2.87Å; S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.24Å; S80-S83 PolarHBondContact O-N 2.87Å; S80-S83 PolarHBondContact O-OG 2.85Å
81E93.4Very high96.6Very high131 Ų13133.5 Ų33.561%0.61219%0.187SC*.G310 helixtrans-66.1-13.5176.1-59.5-176.8171.700114.5K30 R32 T79 S83K30-E81 PolarHBondContact NZ-O 3.22Å; R32-E81 PolarHBondContact NE-O 2.75Å; T79-E81 PolarHBondContact O-N 3.06Å; T79-E81 VanDerWaalsContact O-N 3.12Å; E81-S83 VanDerWaalsContact C-N 3.33Å
82D95.9Very high96.1Very high6 Ų638.5 Ų38.53%0.03221%0.206CC..G310 helixtrans-86.3-4173.2-62.1-45.2000113.3K30 K59 L78 T79 S80 A84 Y86 V111K30-D82 IonicContact NZ-OD1 3.94Å; K30-D82 PolarHBondContact NZ-OD1 2.88Å; K30-D82 VanDerWaalsContact NZ-OD1 3.1Å; K59-D82 IonicContact NZ-OD1 2.83Å; K59-D82 PolarHBondContact NZ-OD1 2.9Å; K59-D82 IonicContact NZ-OD2 3.48Å; K59-D82 PolarHBondContact NZ-OD2 2.86Å; L78-D82 HydrophobicContact CD2-CB 3.67Å; T79-D82 PolarHBondContact N-OD2 3.09Å; T79-D82 WeakPolarHBondContact O-CB 3.41Å; T79-D82 PolarHBondContact O-N 2.86Å; T79-D82 PolarHBondContact OG1-OD2 2.9Å; S80-D82 PolarHBondContact O-N 2.87Å; D82-A84 PolarHBondContact O-N 2.91Å; D82-A84 VanDerWaalsContact O-N 3.11Å; D82-Y86 WeakPolarHBondContact O-CE2 3.48Å; D82-Y86 PolarHBondContact O-OH 3.14Å; D82-V111 HydrophobicContact CB-CG2 4.27Å
83S97.3Very high95.2Very high34 Ų3439.6 Ų39.624%0.23821%0.21CC..  trans-64.7113.6171-57.40000110.6S80 E81 V109 V111S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.24Å; S80-S83 PolarHBondContact O-N 2.87Å; S80-S83 PolarHBondContact O-OG 2.85Å; E81-S83 VanDerWaalsContact C-N 3.33Å; S83-V109 VanDerWaalsContact CA-O 3.29Å; S83-V109 WeakPolarHBondContact CA-O 3.29Å; S83-V111 PolarHBondContact OG-N 2.63Å
84A97.7Very high94.2Very high5 Ų543.8 Ų43.84%0.04124%0.24CC..EExtended strand (participates in β ladder)trans-167.6169.4-171.800000111.2K30 Q31 R32 D82 Y86 V109K30-A84 HydrophobicContact CD-CB 4.24Å; K30-A84 HydrophobicContact CG-CB 3.54Å; Q31-A84 WeakPolarHBondContact O-CA 3.28Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.44Å; R32-A84 HydrophobicContact CG-CB 4.32Å; D82-A84 PolarHBondContact O-N 2.91Å; D82-A84 VanDerWaalsContact O-N 3.11Å; A84-Y86 HydrophobicContact CB-CD2 4.32Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; A84-V109 PolarHBondContact N-O 2.98Å; A84-V109 PolarHBondContact O-N 2.86Å
85V98.3Very high92.9Very high40 Ų4041.1 Ų41.124%0.24223%0.229CC..EExtended strand (participates in β ladder)trans-90.6130160.6-171.60000108.5Q31 Y87Q31-V85 PolarHBondContact N-O 3.39Å; Q31-V85 PolarHBondContact O-N 2.9Å; V85-Y87 HydrophobicContact CB-CE2 3.84Å; V85-Y87 HydrophobicContact CG1-CD1 4.38Å; V85-Y87 HydrophobicContact CG1-CD2 4.3Å; V85-Y87 HydrophobicContact CG1-CE1 3.73Å; V85-Y87 HydrophobicContact CG1-CE2 3.64Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.44Å
86Y98.3Very high91.2Very high3 Ų345.6 Ų45.61%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-108.9124.6178.6-70.7-89.5000110L12 V29 K30 I40 M73 L75 D82 A84 G106 T107 V109L12-Y86 VanDerWaalsContact CD1-CB 3.45Å; L12-Y86 HydrophobicContact CD1-CD1 4.42Å; L12-Y86 HydrophobicContact CD1-CD2 4.16Å; L12-Y86 HydrophobicContact CD1-CG 3.77Å; V29-Y86 CarbonylContact O-C 3.55Å; V29-Y86 WeakPolarHBondContact O-CA 3.38Å; K30-Y86 HydrophobicContact CB-CD1 4.14Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.99Å; K30-Y86 HydrophobicContact CG-CD1 4.29Å; K30-Y86 HydrophobicContact CG-CE1 3.75Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å; M73-Y86 HydrophobicContact CE-CD1 3.64Å; M73-Y86 HydrophobicContact CE-CE1 4.17Å; M73-Y86 HydrophobicContact CE-CG 4.26Å; L75-Y86 HydrophobicContact CD1-CD1 4.15Å; L75-Y86 HydrophobicContact CD1-CE1 3.51Å; L75-Y86 HydrophobicContact CD1-CE2 4.17Å; D82-Y86 WeakPolarHBondContact O-CE2 3.48Å; D82-Y86 PolarHBondContact O-OH 3.14Å; A84-Y86 HydrophobicContact CB-CD2 4.32Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; Y86-G106 CarbonylContact O-C 3.42Å; Y86-G106 VanDerWaalsContact O-CA 3.24Å; Y86-G106 WeakPolarHBondContact O-CA 3.41Å; Y86-T107 PolarHBondContact N-O 2.67Å; Y86-T107 PolarHBondContact O-N 2.54Å; Y86-V109 HydrophobicContact CD2-CB 3.96Å; Y86-V109 HydrophobicContact CD2-CG2 3.72Å; Y86-V109 HydrophobicContact CE2-CB 3.83Å; Y86-V109 HydrophobicContact CE2-CG2 4.01Å
87Y98.2Very high89.7Confident44 Ų4453.2 Ų53.217%0.17328%0.282CS..EExtended strand (participates in β ladder)trans-111.2146.7-179.4-55.5-88.1000110.4W28 V29 Q31 L37 V85 W103W28-Y87 WeakPolarHBondContact CA-O 3.46Å; V29-Y87 PolarHBondContact N-O 2.82Å; V29-Y87 PolarHBondContact O-N 2.83Å; Q31-Y87 HydrophobicContact CB-CD2 4.39Å; Q31-Y87 HydrophobicContact CB-CE2 3.71Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.3Å; Q31-Y87 PolarHBondContact OE1-OH 3.46Å; L37-Y87 HydrophobicContact CD2-CD2 4.45Å; L37-Y87 HydrophobicContact CD2-CE2 4.44Å; V85-Y87 HydrophobicContact CB-CE2 3.84Å; V85-Y87 HydrophobicContact CG1-CD1 4.38Å; V85-Y87 HydrophobicContact CG1-CD2 4.3Å; V85-Y87 HydrophobicContact CG1-CE1 3.73Å; V85-Y87 HydrophobicContact CG1-CE2 3.64Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.44Å; Y87-W103 HydrophobicContact CG-CE3 4.23Å; Y87-W103 HydrophobicContact CG-CZ3 4.43Å
88C97.1Very high88.3Confident15 Ų1558 Ų5810%0.10129%0.291CS..EExtended strand (participates in β ladder)trans-100.9148.7158.562.60000109.7C14 M26 H27 W28 W103 G104C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.4Å; C14-C88 WeakPolarHBondContact SG-CB 3.46Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.7Å; M26-C88 HydrophobicContact SD-CB 3.79Å; H27-C88 CarbonylContact O-C 3.53Å; H27-C88 WeakPolarHBondContact O-CA 3.39Å; W28-C88 HydrophobicContact CE3-CB 4.33Å; W28-C88 HydrophobicContact CH2-CB 4.45Å; W28-C88 HydrophobicContact CZ3-CB 4.29Å; C88-W103 WeakPolarHBondContact O-CA 3.35Å; C88-G104 PolarHBondContact O-N 3.38Å
89A96Very high87.4Confident2 Ų259.9 Ų59.92%0.01731%0.306CS..EExtended strand (participates in β ladder)trans-145.3155.217500000110.7M26 H27 M100 Y102 W103M26-A89 VanDerWaalsContact SD-O 3.33Å; H27-A89 HydrophobicContact CB-CB 4.48Å; H27-A89 WeakPolarHBondContact CB-O 3.24Å; H27-A89 PolarHBondContact N-O 2.75Å; H27-A89 PolarHBondContact O-N 3.49Å; A89-M100 HydrophobicContact CB-CB 3.97Å; A89-M100 HydrophobicContact CB-CG 4.22Å; A89-M100 HydrophobicContact CB-SD 3.84Å; A89-Y102 CarbonylContact C-O 3.57Å; A89-Y102 WeakPolarHBondContact CA-O 3.47Å; A89-Y102 WeakPolarHBondContact CB-O 3.32Å; A89-W103 HydrophobicContact CB-CD2 3.61Å; A89-W103 HydrophobicContact CB-CE3 3.9Å; A89-W103 HydrophobicContact CB-CG 3.98Å; A89-W103 HydrophobicContact CB-CH2 4.42Å; A89-W103 HydrophobicContact CB-CZ2 4.16Å; A89-W103 HydrophobicContact CB-CZ3 4.29Å
90R93.1Very high87.1Confident31 Ų3159.9 Ų59.912%0.11730%0.303CS..EExtended strand (participates in β ladder)trans-113.8147.5179.479.2-174.7176.6176.7-4.1112.4Y19 Y24 W25 M100 D101 Y102Y19-R90 VanDerWaalsContact CB-NH1 3.31Å; Y24-R90 HydrophobicContact CD1-CB 4.32Å; Y24-R90 HydrophobicContact CD1-CG 4Å; W25-R90 VanDerWaalsContact O-CA 3.29Å; W25-R90 WeakPolarHBondContact O-CA 3.35Å; R90-M100 CarbonylContact O-C 3.58Å; R90-M100 WeakPolarHBondContact O-CA 3.49Å; R90-D101 PolarHBondContact O-N 2.95Å; R90-D101 VanDerWaalsContact O-N 3.07Å; R90-Y102 PolarHBondContact N-O 3.24Å
91S92.1Very high86.6Confident2 Ų259.6 Ų59.61%0.01430%0.295CS..EExtended strand (participates in β ladder)trans-133.1143.2166.570.60000110.3Y24 W25 H27 A99Y24-S91 CarbonylContact C-O 3.5Å; Y24-S91 VanDerWaalsContact CA-O 3.24Å; Y24-S91 WeakPolarHBondContact CA-O 3.47Å; Y24-S91 WeakPolarHBondContact CB-O 3.15Å; W25-S91 PolarHBondContact N-O 3.21Å; W25-S91 PolarHBondContact O-N 3.44Å; W25-S91 VanDerWaalsContact O-N 3.16Å; H27-S91 PolarHBondContact NE2-OG 3.48Å; S91-A99 WeakPolarHBondContact CB-O 3.28Å
92Y88.3Confident86.5Confident104 Ų10460.4 Ų60.441%0.40829%0.293SS..EExtended strand (participates in β ladder)trans-74.9140.6179.3-168.2-116.7000110.9S23 Y24 S94 N95S23-Y92 WeakPolarHBondContact O-CD2 3.01Å; Y24-Y92 AromaticContact CD1-CD2 3.99Å; Y24-Y92 HydrophobicContact CD1-CD2 3.99Å; Y24-Y92 HydrophobicContact CD2-CD2 4.32Å; Y24-Y92 AromaticContact CE1-CD2 3.57Å; Y24-Y92 HydrophobicContact CE1-CD2 3.57Å; Y24-Y92 HydrophobicContact CE1-CG 4.16Å; Y24-Y92 AromaticContact CE2-CD2 3.92Å; Y24-Y92 HydrophobicContact CE2-CD2 3.92Å; Y24-Y92 HydrophobicContact CE2-CE2 4.26Å; Y24-Y92 HydrophobicContact CG-CD2 4.34Å; Y24-Y92 AromaticContact CZ-CD2 3.52Å; Y92-S94 VanDerWaalsContact C-N 3.3Å; Y92-S94 WeakPolarHBondContact CD1-OG 3.07Å; Y92-S94 WeakPolarHBondContact CE1-OG 3.26Å; Y92-S94 PolarHBondContact O-N 2.78Å; Y92-N95 VanDerWaalsContact O-CB 3.3Å; Y92-N95 WeakPolarHBondContact O-CB 2.87Å; Y92-N95 PolarHBondContact O-N 2.9Å
93Y79.9Confident86.4Confident74 Ų7465.1 Ų65.129%0.2931%0.311SS..THydrogen-bonded Turntrans-56.5-39.8-174.3-73.6-52.5000114.9P22 S23 Y24 W25 N44 P45 N95P22-Y93 WeakPolarHBondContact O-CE2 3.48Å; P22-Y93 VanDerWaalsContact O-CZ 3.22Å; P22-Y93 PolarHBondContact O-OH 2.82Å; S23-Y93 VanDerWaalsContact CA-CE2 3.44Å; S23-Y93 WeakPolarHBondContact O-CD2 3.17Å; S23-Y93 WeakPolarHBondContact O-CE2 2.92Å; Y24-Y93 PolarHBondContact O-OH 3.45Å; W25-Y93 AromaticContact CD1-CD1 3.33Å; W25-Y93 AromaticContact CD1-CE1 3.55Å; W25-Y93 HydrophobicContact CD2-CD1 4.32Å; W25-Y93 AromaticContact CD2-CE1 3.87Å; W25-Y93 HydrophobicContact CD2-CE1 3.87Å; W25-Y93 AromaticContact CE2-CD1 3.79Å; W25-Y93 AromaticContact CE2-CE1 3.66Å; W25-Y93 HydrophobicContact CG-CD1 4.03Å; W25-Y93 AromaticContact CG-CE1 3.77Å; W25-Y93 HydrophobicContact CG-CE1 3.77Å; W25-Y93 HydrophobicContact CZ2-CE1 4.33Å; W25-Y93 AromaticContact NE1-CD1 3.2Å; W25-Y93 AromaticContact NE1-CE1 3.52Å; N44-Y93 HydrophobicContact CB-CE1 4.3Å; N44-Y93 VanDerWaalsContact ND2-CE1 3.27Å; N44-Y93 WeakPolarHBondContact ND2-CE1 3.31Å; N44-Y93 PolarHBondContact ND2-OH 3.49Å; N44-Y93 PolarHBondContact OD1-OH 3.47Å; P45-Y93 VanDerWaalsContact CD-OH 3.31Å; P45-Y93 WeakPolarHBondContact CD-OH 3.27Å; Y93-N95 VanDerWaalsContact C-N 3.28Å
94S77.3Confident86.4Confident88 Ų8864.8 Ų64.862%0.61531%0.313SS*.THydrogen-bonded Turntrans-90.69.7-176.971.50000112.9Y92 P96Y92-S94 VanDerWaalsContact C-N 3.3Å; Y92-S94 WeakPolarHBondContact CD1-OG 3.07Å; Y92-S94 WeakPolarHBondContact CE1-OG 3.26Å; Y92-S94 PolarHBondContact O-N 2.78Å; S94-P96 WeakPolarHBondContact O-CD 3.25Å
95N71.4Confident86.3Confident32 Ų3273.5 Ų73.517%0.17135%0.352CS..  trans-75.2110.6176.1-171.8-17.6000109Y92 Y93 Y97Y92-N95 VanDerWaalsContact O-CB 3.3Å; Y92-N95 WeakPolarHBondContact O-CB 2.87Å; Y92-N95 PolarHBondContact O-N 2.9Å; Y93-N95 VanDerWaalsContact C-N 3.28Å; N95-Y97 PolarHBondContact O-N 3.27Å; N95-Y97 VanDerWaalsContact O-N 3.16Å; N95-Y97 WeakPolarHBondContact OD1-CB 3.38Å; N95-Y97 PolarHBondContact OD1-N 3Å
96P60.8Low86.2Confident96 Ų9672.9 Ų72.962%0.62335%0.354SS*.THydrogen-bonded Turntrans-70.8-9.5-178.331.3-34.2000112.7S94S94-P96 WeakPolarHBondContact O-CD 3.25Å
97Y66.2Low86.1Confident193 Ų19375.3 Ų75.376%0.75737%0.369SS*.THydrogen-bonded Turntrans-101.8-1.4-174.5-55-70.2000114N95 A99N95-Y97 PolarHBondContact O-N 3.27Å; N95-Y97 VanDerWaalsContact O-N 3.16Å; N95-Y97 WeakPolarHBondContact OD1-CB 3.38Å; N95-Y97 PolarHBondContact OD1-N 3Å; Y97-A99 PolarHBondContact O-N 3.04Å
98Y66.2Low86.1Confident177 Ų17775.1 Ų75.169%0.69437%0.374SS*.  trans51.224.8-177.3-59.3-82.4000114.7M100Y98-M100 PolarHBondContact O-N 3.31Å
99A78.4Confident86.1Confident41 Ų4174.4 Ų74.434%0.33937%0.37SS..  trans-66.7131.7-179.500000110.2S91 Y97 D101S91-A99 WeakPolarHBondContact CB-O 3.28Å; Y97-A99 PolarHBondContact O-N 3.04Å; A99-D101 PolarHBondContact O-N 3.11Å
100M88.3Confident86.2Confident53 Ų5376.7 Ų76.726%0.26138%0.384SS..  trans-87.695.5173.9-64.4-177.9-156.600108.5H27 V29 A89 R90 Y98 W103H27-M100 HydrophobicContact CB-CE 4.12Å; H27-M100 HydrophobicContact CB-SD 4.03Å; V29-M100 HydrophobicContact CG2-CE 4.47Å; V29-M100 HydrophobicContact CG2-SD 4.17Å; A89-M100 HydrophobicContact CB-CB 3.97Å; A89-M100 HydrophobicContact CB-CG 4.22Å; A89-M100 HydrophobicContact CB-SD 3.84Å; R90-M100 CarbonylContact O-C 3.58Å; R90-M100 WeakPolarHBondContact O-CA 3.49Å; Y98-M100 PolarHBondContact O-N 3.31Å; M100-W103 HydrophobicContact CB-CZ2 3.84Å; M100-W103 HydrophobicContact CG-CZ2 4.31Å; M100-W103 PolarHBondContact O-NE1 2.59Å; M100-W103 VanDerWaalsContact O-NE1 3.08Å; M100-W103 HydrophobicContact SD-CH2 3.8Å; M100-W103 HydrophobicContact SD-CZ2 3.51Å; M100-W103 VanDerWaalsContact SD-CZ2 3.51Å
101D85.2Confident86.4Confident80 Ų8075.6 Ų75.643%0.42838%0.38SS..  trans-78.3-25.8-167.1-55.9-39.3000113.1R90 A99R90-D101 PolarHBondContact O-N 2.95Å; R90-D101 VanDerWaalsContact O-N 3.07Å; A99-D101 PolarHBondContact O-N 3.11Å
102Y90.6Very high86.4Confident148 Ų14878 Ų7858%0.5840%0.397SS*.EExtended strand (participates in β ladder)trans-138.9140.5179.2-69-102.3000111.2A89 R90A89-Y102 CarbonylContact C-O 3.57Å; A89-Y102 WeakPolarHBondContact CA-O 3.47Å; A89-Y102 WeakPolarHBondContact CB-O 3.32Å; R90-Y102 PolarHBondContact N-O 3.24Å
103W95.2Very high86.1Confident106 Ų10680.4 Ų80.440%0.40243%0.429SS..EExtended strand (participates in β ladder)trans-123.5141.1-176.7-68.471.4000110.8V29 L37 Y87 C88 A89 M100V29-W103 HydrophobicContact CB-CH2 4.15Å; V29-W103 HydrophobicContact CB-CZ3 3.82Å; V29-W103 HydrophobicContact CG1-CH2 4.07Å; V29-W103 HydrophobicContact CG1-CZ3 3.97Å; V29-W103 HydrophobicContact CG2-CH2 3.74Å; V29-W103 HydrophobicContact CG2-CZ3 3.81Å; L37-W103 HydrophobicContact CD1-CH2 3.88Å; L37-W103 HydrophobicContact CD1-CZ2 4.49Å; L37-W103 HydrophobicContact CD1-CZ3 4.33Å; L37-W103 HydrophobicContact CD2-CZ3 4.46Å; Y87-W103 HydrophobicContact CG-CE3 4.23Å; Y87-W103 HydrophobicContact CG-CZ3 4.43Å; C88-W103 WeakPolarHBondContact O-CA 3.35Å; A89-W103 HydrophobicContact CB-CD2 3.61Å; A89-W103 HydrophobicContact CB-CE3 3.9Å; A89-W103 HydrophobicContact CB-CG 3.98Å; A89-W103 HydrophobicContact CB-CH2 4.42Å; A89-W103 HydrophobicContact CB-CZ2 4.16Å; A89-W103 HydrophobicContact CB-CZ3 4.29Å; M100-W103 HydrophobicContact CB-CZ2 3.84Å; M100-W103 HydrophobicContact CG-CZ2 4.31Å; M100-W103 PolarHBondContact O-NE1 2.59Å; M100-W103 VanDerWaalsContact O-NE1 3.08Å; M100-W103 HydrophobicContact SD-CH2 3.8Å; M100-W103 HydrophobicContact SD-CZ2 3.51Å; M100-W103 VanDerWaalsContact SD-CZ2 3.51Å
104G95.7Very high86.4Confident27 Ų2780.8 Ų80.828%0.27844%0.436SS..  trans-70.9163.9166.700000111.4C88 G106C88-G104 PolarHBondContact O-N 3.38Å; G104-G106 PolarHBondContact O-N 2.98Å; G104-G106 VanDerWaalsContact O-N 3.13Å
105Q95.8Very high86.9Confident187 Ų18780.4 Ų80.487%0.87443%0.427SS*.  trans-64.6-17.3-179.5-63.8-60.2-43.900113.8
106G96.4Very high87.8Confident28 Ų2883.1 Ų83.129%0.28944%0.441SS..  trans86150-177.600000112.9Y86 G104Y86-G106 CarbonylContact O-C 3.42Å; Y86-G106 VanDerWaalsContact O-CA 3.24Å; Y86-G106 WeakPolarHBondContact O-CA 3.41Å; G104-G106 PolarHBondContact O-N 2.98Å; G104-G106 VanDerWaalsContact O-N 3.13Å
107T97.3Very high89.4Confident53 Ų5382.3 Ų82.333%0.32543%0.43SS..EExtended strand (participates in β ladder)trans-121.1119.6176.1-600000108.8L12 Y86 V109L12-T107 HydrophobicContact CD2-CG2 3.98Å; Y86-T107 PolarHBondContact N-O 2.67Å; Y86-T107 PolarHBondContact O-N 2.54Å; T107-V109 PolarHBondContact O-N 2.78Å
108S97.6Very high90.8Very high40 Ų4075.4 Ų75.428%0.2841%0.41SS..EExtended strand (participates in β ladder)trans-72.7123.8172.2-174.90000110T1 E2T1-S108 CarbonylContact C-O 3.42Å; T1-S108 WeakPolarHBondContact CA-O 3.5Å; E2-S108 PolarHBondContact N-O 3.32Å
109V97.5Very high92.5Very high1 Ų168.6 Ų68.61%0.00639%0.391CS..EExtended strand (participates in β ladder)trans-111.5130.4168.7178.10000107.6E2 V4 V10 L12 L78 S83 A84 Y86 T107 V111E2-V109 HydrophobicContact CB-CG2 4.48Å; E2-V109 WeakPolarHBondContact O-CA 3.24Å; V4-V109 HydrophobicContact CG2-CG1 4.12Å; V10-V109 HydrophobicContact CG1-CG1 4.47Å; L12-V109 HydrophobicContact CD1-CG2 4.21Å; L12-V109 HydrophobicContact CD2-CG2 4Å; L78-V109 HydrophobicContact CD1-CG1 4.48Å; S83-V109 VanDerWaalsContact CA-O 3.29Å; S83-V109 WeakPolarHBondContact CA-O 3.29Å; A84-V109 PolarHBondContact N-O 2.98Å; A84-V109 PolarHBondContact O-N 2.86Å; Y86-V109 HydrophobicContact CD2-CB 3.96Å; Y86-V109 HydrophobicContact CD2-CG2 3.72Å; Y86-V109 HydrophobicContact CE2-CB 3.83Å; Y86-V109 HydrophobicContact CE2-CG2 4.01Å; T107-V109 PolarHBondContact O-N 2.78Å; V109-V111 HydrophobicContact CG1-CG2 4.43Å
110T97.4Very high93.5Very high50 Ų5070.6 Ų70.631%0.30740%0.395SS..EExtended strand (participates in β ladder)trans-124.2122.3179.6-57.40000108.8E2 L3 V4E2-T110 PolarHBondContact O-N 3.09Å; L3-T110 WeakPolarHBondContact CA-O 3.44Å; L3-T110 HydrophobicContact CD1-CG2 3.89Å; V4-T110 PolarHBondContact N-O 3.46Å
111V96.3Very high93.9Very high8 Ų871.9 Ų71.95%0.04841%0.405CS..EExtended strand (participates in β ladder)trans-105.7107.4-179.9-169.30000108.5V4 P6 L78 T79 D82 S83 V109V4-V111 HydrophobicContact CG2-CB 4.31Å; V4-V111 HydrophobicContact CG2-CG1 4.4Å; V4-V111 HydrophobicContact CG2-CG2 3.76Å; V4-V111 VanDerWaalsContact O-CA 3.31Å; V4-V111 WeakPolarHBondContact O-CA 3.05Å; P6-V111 HydrophobicContact CB-CG1 4.42Å; P6-V111 HydrophobicContact CG-CG1 4.18Å; L78-V111 HydrophobicContact CB-CG1 4.27Å; L78-V111 HydrophobicContact CB-CG2 3.97Å; L78-V111 HydrophobicContact CD1-CG2 4.35Å; T79-V111 WeakPolarHBondContact O-CB 3.34Å; T79-V111 WeakPolarHBondContact O-CG2 3.4Å; D82-V111 HydrophobicContact CB-CG2 4.27Å; S83-V111 PolarHBondContact OG-N 2.63Å; V109-V111 HydrophobicContact CG1-CG2 4.43Å
112S93.1Very high94.6Very high52 Ų5271.3 Ų71.336%0.36440%0.403SS..  trans-140.4146.7-179.265.40000111.5L3 V4L3-S112 VanDerWaalsContact CD1-OG 3.31Å; L3-S112 WeakPolarHBondContact CD1-OG 3.29Å; V4-S112 PolarHBondContact O-N 2.94Å
113S82.4Confident95Very high155 Ų15564.3 Ų64.3100%1.08439%0.387SS*.  trans-72.90173.956.40000112.4

Retrieved 113 of 113 residues in 29.5 ms (Link to these results)

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