X5J5N4_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5N4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 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
1A85.6Confident94.6Very high101 Ų10179.5 Ų79.584%0.83546%0.456SS*.  0141000000107.2L102A1-L102 CarbonylContact C-O 3.52Å; A1-L102 WeakPolarHBondContact CA-O 3.45Å; A1-L102 HydrophobicContact CB-CB 4.07Å
2E92.5Very high94.9Very high85 Ų8573.3 Ų73.340%0.39742%0.42SS..EExtended strand (participates in β ladder)trans-118.2126.9-174-64.3-62.2147.900109.4V10 L12 T101 L102 V103 T104E2-V10 HydrophobicContact CB-CG2 3.92Å; E2-V10 HydrophobicContact CG-CG2 3.83Å; E2-L12 HydrophobicContact CG-CD2 3.97Å; E2-T101 HydrophobicContact CG-CG2 4.03Å; E2-L102 PolarHBondContact N-O 3.47Å; E2-V103 HydrophobicContact CB-CG2 4.35Å; E2-V103 WeakPolarHBondContact O-CA 3.37Å; E2-T104 PolarHBondContact O-N 3.49Å
3L94.3Very high95.1Very high125 Ų12573.5 Ų73.565%0.65443%0.429SS*.EExtended strand (participates in β ladder)trans-106.3121.1173.4-177.366.3000108.8T104 S106L3-T104 HydrophobicContact CD1-CG2 3.65Å; L3-S106 WeakPolarHBondContact CD1-OG 3.26Å
4V94.9Very high95.2Very high19 Ų1969.4 Ų69.412%0.11541%0.406CS..EExtended strand (participates in β ladder)trans-139.2155-169.8-67.70000111.2V10 L78 V103 T104 V105 S106V4-V10 HydrophobicContact CG1-CB 4.2Å; V4-V10 HydrophobicContact CG1-CG2 4.22Å; V4-L78 HydrophobicContact CB-CD1 4.05Å; V4-L78 HydrophobicContact CG2-CD1 3.34Å; V4-V103 HydrophobicContact CG2-CG1 3.93Å; V4-T104 WeakPolarHBondContact CG2-O 3.3Å; V4-T104 PolarHBondContact N-O 3.43Å; V4-V105 HydrophobicContact CG2-CG2 4.05Å; V4-V105 WeakPolarHBondContact O-CA 3.11Å; V4-S106 PolarHBondContact O-N 2.62Å
5R94.8Very high95.2Very high173 Ų17375.3 Ų75.365%0.65343%0.425SS*.  trans-89.7151.9179.6-69.1-178.4-178.6168.62110.9G7 T8 S106R5-G7 PolarHBondContact O-N 3.27Å; R5-T8 HydrophobicContact CB-CG2 4.05Å; R5-T8 PolarHBondContact O-N 3.27Å; R5-T8 PolarHBondContact O-OG1 2.8Å; R5-S106 WeakPolarHBondContact CA-O 3.34Å
6P95.8Very high95Very high73 Ų7371.2 Ų71.247%0.47440%0.403SS..THydrogen-bonded Turntrans-52.1140.4169.9-25.632.8000112T8 L78 V105 S106P6-T8 PolarHBondContact O-N 3.02Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.2Å; P6-V105 HydrophobicContact CB-CG1 4.44Å; P6-V105 HydrophobicContact CG-CG1 4.02Å; P6-S106 VanDerWaalsContact CD-O 3.3Å; P6-S106 WeakPolarHBondContact CD-O 3.4Å
7G94.7Very high94.7Very high53 Ų5373.2 Ų73.255%0.54642%0.423SS..THydrogen-bonded Turntrans81.7-14.3-179.900000115.3R5 L78R5-G7 PolarHBondContact O-N 3.27Å; G7-L78 PolarHBondContact N-O 2.97Å
8T96Very high94.3Very high60 Ų6073.9 Ų73.937%0.36845%0.448SS..  trans-80.6174.7175.672.80000111.5R5 P6 S77 L78R5-T8 HydrophobicContact CB-CG2 4.05Å; R5-T8 PolarHBondContact O-N 3.27Å; R5-T8 PolarHBondContact O-OG1 2.8Å; P6-T8 PolarHBondContact O-N 3.02Å; T8-S77 PolarHBondContact O-N 3.36Å; T8-L78 WeakPolarHBondContact O-CB 3.43Å; T8-L78 WeakPolarHBondContact O-CG 3.07Å; T8-L78 PolarHBondContact O-N 2.82Å
9S96.8Very high93.9Very high58 Ų5873.6 Ų73.641%0.40644%0.439SS..  trans-110.8156.1173.7-55.10000110.6L75S9-L75 CarbonylContact C-O 3.51Å; S9-L75 WeakPolarHBondContact CA-O 3.01Å; S9-L75 VanDerWaalsContact CB-O 3.27Å; S9-L75 WeakPolarHBondContact CB-O 2.99Å
10V97.4Very high93.8Very high9 Ų974.3 Ų74.36%0.05544%0.443CS..EExtended strand (participates in β ladder)trans-129.4142.8170.270.60000109.5E2 V4 L12 Q74 L75 L78 V103E2-V10 HydrophobicContact CB-CG2 3.92Å; E2-V10 HydrophobicContact CG-CG2 3.83Å; V4-V10 HydrophobicContact CG1-CB 4.2Å; V4-V10 HydrophobicContact CG1-CG2 4.22Å; V10-L12 HydrophobicContact CG1-CD2 4.39Å; V10-L12 HydrophobicContact CG2-CD2 3.95Å; V10-Q74 CarbonylContact O-C 3.56Å; V10-Q74 WeakPolarHBondContact O-CA 3.41Å; V10-L75 HydrophobicContact CG1-CB 4.07Å; V10-L75 HydrophobicContact CG1-CD1 4.18Å; V10-L75 PolarHBondContact N-O 2.73Å; V10-L75 PolarHBondContact O-N 2.81Å; V10-L78 HydrophobicContact CB-CD1 4Å; V10-L78 HydrophobicContact CG1-CD1 3.82Å; V10-L78 HydrophobicContact CG1-CD2 4.44Å; V10-V103 HydrophobicContact CG1-CG1 4.34Å; V10-V103 HydrophobicContact CG1-CG2 4.45Å
11K97.9Very high93.7Very high118 Ų11871.1 Ų71.151%0.51342%0.424SS..EExtended strand (participates in β ladder)trans-113.7113.7174.7-173.8177.6179.7-177.70109Y72K11-Y72 HydrophobicContact CD-CD1 4.37Å; K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; K11-Y72 VanDerWaalsContact CE-CG 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.36Å
12L98.1Very high94.1Very high5 Ų569.2 Ų69.23%0.02640%0.402CS..EExtended strand (participates in β ladder)trans-94.2146.2175.7-53.2-174.7000109.5E2 V10 W28 Y72 M73 Y86 T101 V103E2-L12 HydrophobicContact CG-CD2 3.97Å; V10-L12 HydrophobicContact CG1-CD2 4.39Å; V10-L12 HydrophobicContact CG2-CD2 3.95Å; L12-W28 HydrophobicContact CB-CH2 4.12Å; L12-W28 HydrophobicContact CB-CZ3 3.99Å; L12-Y72 CarbonylContact O-C 3.43Å; L12-Y72 WeakPolarHBondContact O-CA 3.35Å; L12-M73 HydrophobicContact CD1-CE 3.66Å; L12-M73 HydrophobicContact CG-CE 4.42Å; L12-M73 PolarHBondContact N-O 3.09Å; L12-M73 PolarHBondContact O-N 2.77Å; L12-Y86 VanDerWaalsContact CD1-CB 3.48Å; L12-Y86 HydrophobicContact CD1-CD2 4.19Å; L12-Y86 HydrophobicContact CD1-CG 3.82Å; L12-T101 HydrophobicContact CD2-CG2 3.96Å; L12-V103 HydrophobicContact CD1-CG2 4.11Å; L12-V103 HydrophobicContact CD2-CG2 4.04Å
13S97.4Very high94Very high77 Ų7768.8 Ų68.854%0.53841%0.408SS..EExtended strand (participates in β ladder)trans-120.3148.7176.861.90000111.1A71 Y72S13-A71 CarbonylContact C-O 3.57Å; S13-A71 WeakPolarHBondContact CA-O 3.36Å; S13-Y72 VanDerWaalsContact CB-CE1 3.5Å
14C96.3Very high93.9Very high15 Ų1566.7 Ų66.710%0.10139%0.392CS..EExtended strand (participates in β ladder)trans-136.8106173.2-179.30000108.5W28 T70 A71 C88C14-W28 HydrophobicContact CB-CH2 3.82Å; C14-W28 HydrophobicContact CB-CZ2 3.93Å; C14-T70 WeakPolarHBondContact O-CA 3.06Å; C14-A71 PolarHBondContact N-O 2.95Å; C14-A71 PolarHBondContact O-N 2.03Å; C14-C88 HydrophobicContact CB-CB 3.48Å; C14-C88 VanDerWaalsContact CB-CB 3.48Å; C14-C88 WeakPolarHBondContact CB-SG 3.34Å; C14-C88 WeakPolarHBondContact SG-CB 3.43Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.27Å
15K95.6Very high93.8Very high158 Ų15871 Ų7169%0.68741%0.406SS*.EExtended strand (participates in β ladder)trans-90.8123.5-179.9-174.7173.1-177.1178.10109.9T70K15-T70 HydrophobicContact CB-CG2 4.47Å
16A91.9Very high93.8Very high10 Ų1062.8 Ų62.88%0.08338%0.376CS..  trans-72.2147174.900000111.4Y19 F21 S69A16-Y19 HydrophobicContact CB-CE1 4.02Å; A16-Y19 HydrophobicContact CB-CE2 3.81Å; A16-Y19 VanDerWaalsContact CB-CZ 3.43Å; A16-Y19 VanDerWaalsContact CB-OH 3.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.4Å; A16-F21 HydrophobicContact CB-CB 4.07Å; A16-F21 HydrophobicContact CB-CD2 3.37Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 4.01Å; A16-S69 WeakPolarHBondContact CB-O 3.41Å; A16-S69 PolarHBondContact N-O 3.29Å
17S89.9Confident93.8Very high106 Ų10660.2 Ų60.274%0.74136%0.357SS*.  trans-151.9139.9176.8-175.20000109.7Y19S17-Y19 WeakPolarHBondContact O-CD1 3.43Å; S17-Y19 WeakPolarHBondContact O-CE1 3.35Å
18G87.9Confident93.9Very high85 Ų8557.9 Ų57.988%0.87633%0.332SS*.SBendtrans81.48.8175.800000115.7
19Y86.8Confident94Very high69 Ų6955.4 Ų55.427%0.27132%0.317SS..SBendtrans-154.9164.8175.661.3-88.5000111.6A16 S17 F21 Y24 I90A16-Y19 HydrophobicContact CB-CE1 4.02Å; A16-Y19 HydrophobicContact CB-CE2 3.81Å; A16-Y19 VanDerWaalsContact CB-CZ 3.43Å; A16-Y19 VanDerWaalsContact CB-OH 3.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.4Å; S17-Y19 WeakPolarHBondContact O-CD1 3.43Å; S17-Y19 WeakPolarHBondContact O-CE1 3.35Å; Y19-F21 PolarHBondContact O-N 3.41Å; Y19-Y24 AromaticContact CD2-CD2 3.57Å; Y19-Y24 HydrophobicContact CD2-CD2 3.57Å; Y19-Y24 HydrophobicContact CD2-CE2 4.04Å; Y19-Y24 HydrophobicContact CE2-CD2 4.1Å; Y19-Y24 HydrophobicContact CG-CD2 4.3Å; Y19-Y24 HydrophobicContact CG-CE2 4.37Å; Y19-I90 HydrophobicContact CD1-CD1 4.21Å; Y19-I90 HydrophobicContact CD2-CD1 4.45Å; Y19-I90 HydrophobicContact CE1-CD1 3.89Å; Y19-I90 HydrophobicContact CE2-CD1 4.12Å; Y19-I90 HydrophobicContact CE2-CG2 4.27Å; Y19-I90 HydrophobicContact CG-CD1 4.49Å; Y19-I90 WeakPolarHBondContact OH-CG2 3.44Å
20T91.3Very high94Very high86 Ų8652.7 Ų52.753%0.52830%0.298SS..  trans-70.8108.9172.6-57.50000109.6T22 S23T20-T22 PolarHBondContact O-N 2.89Å; T20-T22 VanDerWaalsContact O-N 3.16Å; T20-S23 WeakPolarHBondContact CB-OG 3.36Å; T20-S23 WeakPolarHBondContact CG2-OG 3.33Å; T20-S23 WeakPolarHBondContact O-CB 3.49Å; T20-S23 PolarHBondContact O-N 2.74Å
21F92.1Very high94Very high9 Ų955.6 Ų55.64%0.03931%0.311CS..G310 helixtrans-54.9-37.3-172.6178.9-128.2000114A16 Y19 S23 M26 P45 V64 S69 A71A16-F21 HydrophobicContact CB-CB 4.07Å; A16-F21 HydrophobicContact CB-CD2 3.37Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 4.01Å; Y19-F21 PolarHBondContact O-N 3.41Å; F21-S23 VanDerWaalsContact C-N 3.27Å; F21-S23 PolarHBondContact O-N 3.32Å; F21-M26 HydrophobicContact CE2-CE 3.92Å; F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.44Å; F21-P45 HydrophobicContact CD2-CB 4.46Å; F21-P45 HydrophobicContact CD2-CG 4.21Å; F21-P45 HydrophobicContact CE1-CB 3.59Å; F21-P45 HydrophobicContact CE1-CG 4.13Å; F21-P45 HydrophobicContact CE2-CB 4.25Å; F21-P45 HydrophobicContact CE2-CG 3.87Å; F21-P45 HydrophobicContact CG-CB 4.29Å; F21-P45 HydrophobicContact CZ-CB 3.81Å; F21-P45 HydrophobicContact CZ-CG 3.83Å; F21-P45 WeakPolarHBondContact O-CG 3.39Å; F21-V64 HydrophobicContact CE1-CB 4.37Å; F21-V64 HydrophobicContact CE1-CG1 4.36Å; F21-V64 HydrophobicContact CZ-CB 4.5Å; F21-V64 HydrophobicContact CZ-CG1 4.06Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; F21-A71 HydrophobicContact CE2-CB 4.32Å; F21-A71 HydrophobicContact CZ-CB 3.99Å
22T93.7Very high93.9Very high61 Ų6152.6 Ų52.637%0.37430%0.296SS..G310 helixtrans-78.1-4.5-179.952.30000114.4T20 T66T20-T22 PolarHBondContact O-N 2.89Å; T20-T22 VanDerWaalsContact O-N 3.16Å; T22-T66 HydrophobicContact CG2-CG2 4.09Å
23S91.4Very high93.7Very high75 Ų7556.6 Ų56.652%0.52432%0.322SS..G310 helixtrans-88.2-9.3179.7-59.90000113.7T20 F21T20-S23 WeakPolarHBondContact CB-OG 3.36Å; T20-S23 WeakPolarHBondContact CG2-OG 3.33Å; T20-S23 WeakPolarHBondContact O-CB 3.49Å; T20-S23 PolarHBondContact O-N 2.74Å; F21-S23 VanDerWaalsContact C-N 3.27Å; F21-S23 PolarHBondContact O-N 3.32Å
24Y90.3Very high93.5Very high82 Ų8257.3 Ų57.332%0.32234%0.342SS..SBendtrans-136.1143.2-174.8-60.5-84.9000111.9Y19 P45 I90 D92Y19-Y24 AromaticContact CD2-CD2 3.57Å; Y19-Y24 HydrophobicContact CD2-CD2 3.57Å; Y19-Y24 HydrophobicContact CD2-CE2 4.04Å; Y19-Y24 HydrophobicContact CE2-CD2 4.1Å; Y19-Y24 HydrophobicContact CG-CD2 4.3Å; Y19-Y24 HydrophobicContact CG-CE2 4.37Å; Y24-P45 WeakPolarHBondContact O-CD 3.48Å; Y24-P45 WeakPolarHBondContact O-CG 3.41Å; Y24-I90 HydrophobicContact CG-CD1 4.28Å; Y24-D92 HydrophobicContact CD1-CB 4.37Å; Y24-D92 HydrophobicContact CE1-CB 4.1Å
25W93.7Very high93.4Very high108 Ų10861.1 Ų61.141%0.40936%0.358SS..  trans-76.3134.2175.4-68.513.7000110.2H27 V42 D44 I90 S91W25-H27 PolarHBondContact O-CD2 3.11Å; W25-V42 HydrophobicContact CB-CG2 3.63Å; W25-V42 HydrophobicContact CD2-CG2 4.47Å; W25-V42 HydrophobicContact CE3-CG1 4.27Å; W25-V42 HydrophobicContact CE3-CG2 4.02Å; W25-V42 HydrophobicContact CG-CG2 4.39Å; W25-D44 HydrophobicContact CG-CB 4.41Å; W25-D44 PolarHBondContact NE1-OD2 3.38Å; W25-I90 WeakPolarHBondContact O-CA 3.47Å; W25-S91 PolarHBondContact O-N 2.86Å
26M94.9Very high93.3Very high2 Ų256.2 Ų56.21%0.0135%0.352CS..EExtended strand (participates in β ladder)trans-97.9110.4179.6-173.466.970.900110.3F21 V42 I43 A71 C88 I90F21-M26 HydrophobicContact CE2-CE 3.92Å; M26-V42 CarbonylContact O-C 3.53Å; M26-V42 VanDerWaalsContact O-CA 3.3Å; M26-V42 WeakPolarHBondContact O-CA 3.1Å; M26-V42 WeakPolarHBondContact O-CG2 3.25Å; M26-I43 HydrophobicContact CB-CG2 3.98Å; M26-I43 PolarHBondContact N-O 2.87Å; M26-I43 PolarHBondContact O-N 3.44Å; M26-A71 HydrophobicContact CB-CB 4.2Å; M26-A71 HydrophobicContact CE-CB 4.5Å; M26-A71 HydrophobicContact CG-CB 3.71Å; M26-C88 HydrophobicContact CG-CB 4.44Å; M26-C88 HydrophobicContact SD-CB 3.73Å; M26-I90 HydrophobicContact CE-CG2 3.8Å; M26-I90 HydrophobicContact SD-CG2 3.92Å
27H95.9Very high93.4Very high18 Ų1860.3 Ų60.38%0.08337%0.372CS..EExtended strand (participates in β ladder)trans-88.4145.1176.3-64.1-104.3000111W25 W39 G41 C88 A89 S91 F94W25-H27 PolarHBondContact O-CD2 3.11Å; H27-W39 AromaticContact CG-NE1 3.99Å; H27-W39 AromaticContact ND1-CD1 3.94Å; H27-W39 AromaticContact ND1-NE1 3.2Å; H27-W39 PolarHBondContact ND1-NE1 3.09Å; H27-G41 WeakPolarHBondContact CA-O 3.5Å; H27-C88 CarbonylContact O-C 3.4Å; H27-C88 WeakPolarHBondContact O-CA 3.3Å; H27-A89 WeakPolarHBondContact CA-O 3.35Å; H27-A89 WeakPolarHBondContact CB-O 3.38Å; H27-A89 PolarHBondContact N-O 2.77Å; H27-A89 PolarHBondContact O-N 2.67Å; H27-S91 WeakPolarHBondContact NE2-CB 3.5Å; H27-S91 PolarHBondContact NE2-OG 3.28Å; H27-F94 HydrophobicContact CB-CE1 4.17Å; H27-F94 AromaticContact CD2-CE1 3.75Å; H27-F94 AromaticContact CE1-CE1 3.95Å; H27-F94 AromaticContact CE1-CZ 3.9Å; H27-F94 AromaticContact CG-CE1 3.63Å; H27-F94 AromaticContact ND1-CE1 3.75Å; H27-F94 AromaticContact NE2-CE1 3.96Å
28W97.4Very high93.7Very high5 Ų556.8 Ų56.82%0.01934%0.344CS..EExtended strand (participates in β ladder)trans-116.6135.5171.7-70.689.1000110.3L12 C14 I40 G41 L62 A71 M73 Y87 C88L12-W28 HydrophobicContact CB-CH2 4.12Å; L12-W28 HydrophobicContact CB-CZ3 3.99Å; C14-W28 HydrophobicContact CB-CH2 3.82Å; C14-W28 HydrophobicContact CB-CZ2 3.93Å; W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.34Å; W28-I40 WeakPolarHBondContact O-CB 3.4Å; W28-I40 PolarHBondContact O-N 2.99Å; W28-G41 PolarHBondContact N-O 3.2Å; W28-L62 VanDerWaalsContact CD1-CD2 3.5Å; W28-L62 HydrophobicContact CG-CD2 3.97Å; W28-A71 HydrophobicContact CZ2-CB 4.32Å; W28-M73 HydrophobicContact CB-SD 3.98Å; W28-M73 HydrophobicContact CD2-CB 3.65Å; W28-M73 HydrophobicContact CD2-CE 4.35Å; W28-M73 HydrophobicContact CD2-CG 4.44Å; W28-M73 HydrophobicContact CD2-SD 4.12Å; W28-M73 HydrophobicContact CE3-CB 3.84Å; W28-M73 HydrophobicContact CE3-CE 3.71Å; W28-M73 HydrophobicContact CE3-SD 4.07Å; W28-M73 HydrophobicContact CG-CB 4.21Å; W28-M73 HydrophobicContact CG-SD 4.1Å; W28-M73 HydrophobicContact CH2-CB 4.04Å; W28-M73 HydrophobicContact CZ2-CB 3.88Å; W28-M73 HydrophobicContact CZ3-CB 4.03Å; W28-M73 HydrophobicContact CZ3-CE 4.15Å; W28-Y87 WeakPolarHBondContact CA-O 3.46Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.32Å; W28-C88 HydrophobicContact CH2-CB 4.41Å; W28-C88 HydrophobicContact CZ3-CB 4.3Å
29V97Very high94.1Very high7 Ų756.7 Ų56.74%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-136.9137.5-172.9-174.80000109.6L37 E38 Y86 Y87 W97V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; V29-E38 WeakPolarHBondContact CA-O 3.38Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.19Å; V29-Y87 PolarHBondContact N-O 3.11Å; V29-Y87 PolarHBondContact O-N 3.1Å; V29-W97 HydrophobicContact CB-CH2 4.32Å; V29-W97 HydrophobicContact CB-CZ3 4Å; V29-W97 HydrophobicContact CG1-CH2 4.28Å; V29-W97 HydrophobicContact CG1-CZ3 4.21Å; V29-W97 HydrophobicContact CG2-CH2 3.94Å; V29-W97 HydrophobicContact CG2-CZ3 3.99Å
30K97.2Very high94.6Very high2 Ų253.4 Ų53.41%0.00930%0.304CS..EExtended strand (participates in β ladder)trans-105.1138.2174.9-177.3179.6-177.6174.70109.6E38 I40 F56 E81 D82 A84 Y86K30-E38 HydrophobicContact CB-CB 4.39Å; K30-E38 PolarHBondContact N-O 2.92Å; K30-E38 PolarHBondContact O-N 2.92Å; K30-I40 HydrophobicContact CB-CD1 3.96Å; K30-I40 HydrophobicContact CB-CG1 4.1Å; K30-F56 HydrophobicContact CB-CZ 4.43Å; K30-F56 HydrophobicContact CD-CE1 3.89Å; K30-F56 HydrophobicContact CD-CZ 3.95Å; K30-E81 WeakPolarHBondContact CE-O 3.46Å; K30-E81 PolarHBondContact NZ-O 3Å; K30-D82 IonicContact NZ-OD1 3.09Å; K30-D82 PolarHBondContact NZ-OD1 3.4Å; K30-A84 HydrophobicContact CD-CB 4.19Å; K30-A84 HydrophobicContact CG-CB 3.5Å; K30-A84 VanDerWaalsContact CG-CB 3.5Å; K30-Y86 HydrophobicContact CB-CD1 4.1Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.91Å; K30-Y86 WeakPolarHBondContact CE-OH 3.49Å; K30-Y86 HydrophobicContact CG-CD1 4.23Å; K30-Y86 HydrophobicContact CG-CE1 3.71Å
31Q97.2Very high94.9Very high70 Ų7049.3 Ų49.333%0.32728%0.279SS..EExtended strand (participates in β ladder)trans-129.6113.5170.6-165.7-178.42700110.4L37 A84 V85 Y87Q31-L37 HydrophobicContact CB-CD2 3.88Å; Q31-L37 HydrophobicContact CG-CD2 3.95Å; Q31-A84 WeakPolarHBondContact O-CA 3.38Å; Q31-A84 VanDerWaalsContact O-CB 3.26Å; Q31-A84 WeakPolarHBondContact O-CB 3.4Å; Q31-V85 PolarHBondContact N-O 2.92Å; Q31-V85 PolarHBondContact O-N 2.83Å; Q31-Y87 HydrophobicContact CB-CD2 4.41Å; Q31-Y87 HydrophobicContact CB-CE2 3.84Å; Q31-Y87 PolarHBondContact OE1-OH 2.81Å
32R95.6Very high95.1Very high54 Ų5449 Ų4920%0.20428%0.278CS..  trans-82.6150.8170-59.1-162.8-17291-2.3110.4G34 Q35 E38 E81 A84R32-G34 PolarHBondContact O-N 2.81Å; R32-Q35 HydrophobicContact CB-CB 4.01Å; R32-Q35 HydrophobicContact CB-CG 4.01Å; R32-Q35 PolarHBondContact O-N 2.89Å; R32-E38 IonicContact CZ-OE1 3.97Å; R32-E38 IonicContact NH1-OE1 3.57Å; R32-E38 PolarHBondContact NH1-OE1 3.05Å; R32-E38 IonicContact NH2-OE1 3.32Å; R32-E81 PolarHBondContact NE-O 2.86Å; R32-E81 PolarHBondContact NH2-O 3.21Å; R32-A84 HydrophobicContact CG-CB 4.26Å
33P93.2Very high95.3Very high89 Ų8946.2 Ų46.258%0.57826%0.261SS*.THydrogen-bonded Turntrans-54.6128.3173.1-2636000111.7Q35 F83P33-Q35 PolarHBondContact O-N 2.82Å; P33-F83 HydrophobicContact CG-CD1 4.25Å; P33-F83 HydrophobicContact CG-CE1 3.65Å; P33-F83 HydrophobicContact CG-CZ 4.34Å
34G93.7Very high95.5Very high92 Ų9243.5 Ų43.595%0.94824%0.241SC*.THydrogen-bonded Turntrans71.85.6-178.900000115.5R32R32-G34 PolarHBondContact O-N 2.81Å
35Q93.9Very high95.8Very high96 Ų9639.7 Ų39.745%0.44923%0.226SC..SBendtrans-114.6162.1176.3-58.1-172.6-2.200111.7R32 P33R32-Q35 HydrophobicContact CB-CB 4.01Å; R32-Q35 HydrophobicContact CB-CG 4.01Å; R32-Q35 PolarHBondContact O-N 2.89Å; P33-Q35 PolarHBondContact O-N 2.82Å
36G93.7Very high95.8Very high54 Ų5438 Ų3856%0.55723%0.23SC*.  trans-69.4173.9173.900000113.2
37L94.9Very high95.9Very high97 Ų9742.8 Ų42.851%0.50826%0.256SS..EExtended strand (participates in β ladder)trans-70.8127.9173.4-64.2174.1000110.3V29 Q31 W97V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.89Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; Q31-L37 HydrophobicContact CB-CD2 3.88Å; Q31-L37 HydrophobicContact CG-CD2 3.95Å; L37-W97 HydrophobicContact CD1-CH2 3.85Å; L37-W97 HydrophobicContact CD1-CZ2 4.42Å; L37-W97 HydrophobicContact CD1-CZ3 4.46Å
38E96.3Very high95.9Very high32 Ų3245.3 Ų45.315%0.1528%0.276CS..EExtended strand (participates in β ladder)trans-108.3113.8173.4-64.7-167.1-95.800109.6V29 K30 R32 I40 K55 F56V29-E38 WeakPolarHBondContact CA-O 3.38Å; K30-E38 HydrophobicContact CB-CB 4.39Å; K30-E38 PolarHBondContact N-O 2.92Å; K30-E38 PolarHBondContact O-N 2.92Å; R32-E38 IonicContact CZ-OE1 3.97Å; R32-E38 IonicContact NH1-OE1 3.57Å; R32-E38 PolarHBondContact NH1-OE1 3.05Å; R32-E38 IonicContact NH2-OE1 3.32Å; E38-I40 PolarHBondContact O-N 3Å; E38-K55 IonicContact OE2-NZ 2.77Å; E38-K55 PolarHBondContact OE2-NZ 3.38Å; E38-K55 VanDerWaalsContact OE2-NZ 3.09Å; E38-F56 HydrophobicContact CB-CE2 4.4Å; E38-F56 HydrophobicContact CB-CZ 4.36Å
39W96.4Very high95.9Very high82 Ų8250.9 Ų50.931%0.31130%0.297SS..EExtended strand (participates in β ladder)trans-69.8127.2174.7-179.872.1000110.7H27 G41 V42 N53H27-W39 AromaticContact CG-NE1 3.99Å; H27-W39 AromaticContact ND1-CD1 3.94Å; H27-W39 AromaticContact ND1-NE1 3.2Å; H27-W39 PolarHBondContact ND1-NE1 3.09Å; W39-G41 VanDerWaalsContact CE2-C 3.47Å; W39-G41 PolarHBondContact NE1-O 2.91Å; W39-V42 HydrophobicContact CZ2-CB 3.89Å; W39-V42 HydrophobicContact CZ2-CG1 3.81Å; W39-N53 HydrophobicContact CE3-CB 3.78Å; W39-N53 HydrophobicContact CZ3-CB 3.96Å; W39-N53 WeakPolarHBondContact O-CB 3.02Å; W39-N53 PolarHBondContact O-ND2 3.21Å
40I97.8Very high95.9Very high0 Ų052.8 Ų52.80%031%0.309CS..EExtended strand (participates in β ladder)trans-91.2-49.5-177.5-60.1176.6000110.2W28 K30 E38 N53 F56 A60 M73 Y86W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.34Å; W28-I40 WeakPolarHBondContact O-CB 3.4Å; W28-I40 PolarHBondContact O-N 2.99Å; K30-I40 HydrophobicContact CB-CD1 3.96Å; K30-I40 HydrophobicContact CB-CG1 4.1Å; E38-I40 PolarHBondContact O-N 3Å; I40-N53 WeakPolarHBondContact O-CB 3.4Å; I40-N53 PolarHBondContact O-N 2.63Å; I40-F56 HydrophobicContact CB-CD2 4.27Å; I40-F56 HydrophobicContact CB-CG 4.24Å; I40-F56 HydrophobicContact CG1-CD1 4.2Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.12Å; I40-F56 HydrophobicContact CG1-CE2 4.16Å; I40-F56 HydrophobicContact CG1-CG 4.26Å; I40-F56 HydrophobicContact CG1-CZ 4.09Å; I40-F56 HydrophobicContact CG2-CB 3.76Å; I40-F56 HydrophobicContact CG2-CD1 4.12Å; I40-F56 HydrophobicContact CG2-CD2 4.33Å; I40-F56 HydrophobicContact CG2-CG 3.81Å; I40-A60 HydrophobicContact CG2-CB 3.78Å; I40-M73 HydrophobicContact CD1-CE 4.03Å; I40-M73 HydrophobicContact CD1-SD 3.59Å; I40-M73 VanDerWaalsContact CD1-SD 3.59Å; I40-M73 HydrophobicContact CG2-SD 3.99Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.82Å
41G97.1Very high95.9Very high0 Ų056.3 Ų56.30%033%0.328CS..EExtended strand (participates in β ladder)trans173.5179.8-172.100000111.9H27 W28 W39 N51H27-G41 WeakPolarHBondContact CA-O 3.5Å; W28-G41 PolarHBondContact N-O 3.2Å; W39-G41 VanDerWaalsContact CE2-C 3.47Å; W39-G41 PolarHBondContact NE1-O 2.91Å; G41-N51 CarbonylContact C-O 3.54Å; G41-N51 WeakPolarHBondContact CA-O 3.45Å
42V96.8Very high96Very high4 Ų455.4 Ų55.42%0.02432%0.322CS..EExtended strand (participates in β ladder)trans-141147.117866.40000109.4W25 M26 W39 T50 N51W25-V42 HydrophobicContact CB-CG2 3.63Å; W25-V42 HydrophobicContact CD2-CG2 4.47Å; W25-V42 HydrophobicContact CE3-CG1 4.27Å; W25-V42 HydrophobicContact CE3-CG2 4.02Å; W25-V42 HydrophobicContact CG-CG2 4.39Å; M26-V42 CarbonylContact O-C 3.53Å; M26-V42 VanDerWaalsContact O-CA 3.3Å; M26-V42 WeakPolarHBondContact O-CA 3.1Å; M26-V42 WeakPolarHBondContact O-CG2 3.25Å; W39-V42 HydrophobicContact CZ2-CB 3.89Å; W39-V42 HydrophobicContact CZ2-CG1 3.81Å; V42-T50 WeakPolarHBondContact O-CA 3.37Å; V42-N51 HydrophobicContact CG1-CB 3.91Å; V42-N51 PolarHBondContact N-O 3.37Å; V42-N51 PolarHBondContact O-N 3.23Å
43I97Very high96Very high2 Ų255 Ų551%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-126.8130.6170.5-174157000109.5M26 P45 Y49 T50 L62 V64M26-I43 HydrophobicContact CB-CG2 3.98Å; M26-I43 PolarHBondContact N-O 2.87Å; M26-I43 PolarHBondContact O-N 3.44Å; I43-P45 WeakPolarHBondContact O-CD 3.47Å; I43-Y49 CarbonylContact C-O 3.6Å; I43-Y49 VanDerWaalsContact CA-O 3.31Å; I43-Y49 WeakPolarHBondContact CA-O 3.39Å; I43-T50 HydrophobicContact CB-CG2 3.97Å; I43-T50 HydrophobicContact CD1-CG2 3.59Å; I43-T50 HydrophobicContact CG1-CG2 3.72Å; I43-L62 HydrophobicContact CB-CB 4.11Å; I43-L62 HydrophobicContact CB-CD1 4.28Å; I43-L62 HydrophobicContact CD1-CB 4.04Å; I43-L62 HydrophobicContact CG2-CB 4.41Å; I43-V64 HydrophobicContact CD1-CB 4.38Å; I43-V64 HydrophobicContact CD1-CG1 3.72Å; I43-V64 HydrophobicContact CD1-CG2 4.11Å; I43-V64 HydrophobicContact CG1-CG1 3.85Å; I43-V64 HydrophobicContact CG2-CG1 3.87Å
44D96.1Very high96.2Very high18 Ų1859.3 Ų59.310%0.09634%0.336CS..  trans-83.1114.8168.3-173.4-22.6000108.3W25 S46 D47 S48 Y49W25-D44 HydrophobicContact CG-CB 4.41Å; W25-D44 PolarHBondContact NE1-OD2 3.38Å; D44-S46 PolarHBondContact O-N 2.68Å; D44-S46 VanDerWaalsContact OD1-CB 3.26Å; D44-S46 WeakPolarHBondContact OD1-CB 3.1Å; D44-S46 PolarHBondContact OD1-N 2.8Å; D44-S46 PolarHBondContact OD1-OG 2.94Å; D44-S46 PolarHBondContact OD2-OG 2.93Å; D44-D47 WeakPolarHBondContact CB-OD1 3.31Å; D44-S48 WeakPolarHBondContact O-CA 3.32Å; D44-S48 PolarHBondContact O-N 3.22Å; D44-Y49 PolarHBondContact N-O 2.88Å
45P95.4Very high96.2Very high1 Ų162 Ų621%0.00632%0.322CS..THydrogen-bonded Turntrans-70.1-13.1-179.6-17.432.9000114.2F21 Y24 I43 V64 T66F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.44Å; F21-P45 HydrophobicContact CD2-CB 4.46Å; F21-P45 HydrophobicContact CD2-CG 4.21Å; F21-P45 HydrophobicContact CE1-CB 3.59Å; F21-P45 HydrophobicContact CE1-CG 4.13Å; F21-P45 HydrophobicContact CE2-CB 4.25Å; F21-P45 HydrophobicContact CE2-CG 3.87Å; F21-P45 HydrophobicContact CG-CB 4.29Å; F21-P45 HydrophobicContact CZ-CB 3.81Å; F21-P45 HydrophobicContact CZ-CG 3.83Å; F21-P45 WeakPolarHBondContact O-CG 3.39Å; Y24-P45 WeakPolarHBondContact O-CD 3.48Å; Y24-P45 WeakPolarHBondContact O-CG 3.41Å; I43-P45 WeakPolarHBondContact O-CD 3.47Å; P45-V64 HydrophobicContact CB-CG1 4.08Å; P45-V64 HydrophobicContact CG-CG1 4.29Å; P45-T66 VanDerWaalsContact O-CG2 3.3Å; P45-T66 WeakPolarHBondContact O-CG2 3.24Å
46S95.5Very high96.3Very high72 Ų7257.9 Ų57.950%0.50330%0.303SS..THydrogen-bonded Turntrans-75.3-38.6-179.171.50000113.2D44D44-S46 PolarHBondContact O-N 2.68Å; D44-S46 VanDerWaalsContact OD1-CB 3.26Å; D44-S46 WeakPolarHBondContact OD1-CB 3.1Å; D44-S46 PolarHBondContact OD1-N 2.8Å; D44-S46 PolarHBondContact OD1-OG 2.94Å; D44-S46 PolarHBondContact OD2-OG 2.93Å
47D96.1Very high96.3Very high104 Ų10463.1 Ų63.156%0.55631%0.31SS*.THydrogen-bonded Turntrans-131.13.3-175.969.3-1.4000113.6D44 Y49D44-D47 WeakPolarHBondContact CB-OD1 3.31Å; D47-Y49 PolarHBondContact O-N 2.72Å; D47-Y49 WeakPolarHBondContact OD1-CB 3.45Å; D47-Y49 PolarHBondContact OD1-N 2.89Å
48S96.1Very high96.2Very high70 Ų7062 Ų6249%0.4932%0.323SS..  trans61.219.9-175.7-52.80000114.4D44 T50 V64D44-S48 WeakPolarHBondContact O-CA 3.32Å; D44-S48 PolarHBondContact O-N 3.22Å; S48-T50 PolarHBondContact O-N 2.95Å; S48-V64 WeakPolarHBondContact OG-CG2 3.12Å
49Y97.3Very high96.2Very high122 Ų12262.4 Ų62.448%0.47832%0.324SS..  trans-59.7134171.5176.8-97.6000110I43 D44 D47 N51I43-Y49 CarbonylContact C-O 3.6Å; I43-Y49 VanDerWaalsContact CA-O 3.31Å; I43-Y49 WeakPolarHBondContact CA-O 3.39Å; D44-Y49 PolarHBondContact N-O 2.88Å; D47-Y49 PolarHBondContact O-N 2.72Å; D47-Y49 WeakPolarHBondContact OD1-CB 3.45Å; D47-Y49 PolarHBondContact OD1-N 2.89Å; Y49-N51 HydrophobicContact CE1-CB 4.07Å
50T97.8Very high96.3Very high48 Ų4858.7 Ų58.729%0.29431%0.31SS..EExtended strand (participates in β ladder)trans-125140.4179.252.40000111.4V42 I43 S48 Y52 L62V42-T50 WeakPolarHBondContact O-CA 3.37Å; I43-T50 HydrophobicContact CB-CG2 3.97Å; I43-T50 HydrophobicContact CD1-CG2 3.59Å; I43-T50 HydrophobicContact CG1-CG2 3.72Å; S48-T50 PolarHBondContact O-N 2.95Å; T50-Y52 HydrophobicContact CG2-CE2 4.45Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.21Å; T50-L62 HydrophobicContact CG2-CB 4.03Å
51N96.9Very high96.3Very high75 Ų7561.8 Ų61.840%0.40133%0.329SS..EExtended strand (participates in β ladder)trans-131.3142.2169.1-173.59.5000109.3G41 V42 Y49G41-N51 CarbonylContact C-O 3.54Å; G41-N51 WeakPolarHBondContact CA-O 3.45Å; V42-N51 HydrophobicContact CG1-CB 3.91Å; V42-N51 PolarHBondContact N-O 3.37Å; V42-N51 PolarHBondContact O-N 3.23Å; Y49-N51 HydrophobicContact CE1-CB 4.07Å
52Y97.9Very high96.4Very high52 Ų5262.1 Ų62.120%0.20433%0.331CS..EExtended strand (participates in β ladder)trans-128.3146-172.4-64.7-93.3000110.6T50 A60 L62T50-Y52 HydrophobicContact CG2-CE2 4.45Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.21Å; Y52-A60 HydrophobicContact CE1-CB 4.42Å; Y52-A60 VanDerWaalsContact CE1-O 3.31Å; Y52-A60 WeakPolarHBondContact CE1-O 3.49Å; Y52-L62 HydrophobicContact CE1-CD1 4.03Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 3.3Å
53N96.8Very high96.4Very high46 Ų4664.9 Ų64.925%0.24635%0.348CS..  trans-65.7135.7157.7-178.2-26.7000109W39 I40 K55 F56 K57W39-N53 HydrophobicContact CE3-CB 3.78Å; W39-N53 HydrophobicContact CZ3-CB 3.96Å; W39-N53 WeakPolarHBondContact O-CB 3.02Å; W39-N53 PolarHBondContact O-ND2 3.21Å; I40-N53 WeakPolarHBondContact O-CB 3.4Å; I40-N53 PolarHBondContact O-N 2.63Å; N53-K55 PolarHBondContact O-N 2.85Å; N53-K55 VanDerWaalsContact O-N 3.1Å; N53-K55 PolarHBondContact OD1-N 3.05Å; N53-K55 VanDerWaalsContact OD1-N 3.11Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.84Å; N53-K57 PolarHBondContact O-N 3.33Å
54Q95.9Very high96.5Very high178 Ų17866.2 Ų66.283%0.83236%0.356SS*.G310 helixtrans-52.8-35.9-178.3-69.7-166.2-8.200113.2F56 K57Q54-F56 PolarHBondContact O-N 2.8Å; Q54-K57 PolarHBondContact O-N 2.73Å
55K94.1Very high96.5Very high149 Ų14967.9 Ų67.965%0.64837%0.365SS*.G310 helixtrans-59.6-29.4178-68.9-175.8179.9-178.40113.8E38 N53E38-K55 IonicContact OE2-NZ 2.77Å; E38-K55 PolarHBondContact OE2-NZ 3.38Å; E38-K55 VanDerWaalsContact OE2-NZ 3.09Å; N53-K55 PolarHBondContact O-N 2.85Å; N53-K55 VanDerWaalsContact O-N 3.1Å; N53-K55 PolarHBondContact OD1-N 3.05Å; N53-K55 VanDerWaalsContact OD1-N 3.11Å
56F96Very high96.5Very high10 Ų1071.6 Ų71.64%0.04439%0.388CS..G310 helixtrans-106.7-2.5-174.7-62.8-83.7000112.8K30 E38 I40 N53 Q54 G58 K59 A60K30-F56 HydrophobicContact CB-CZ 4.43Å; K30-F56 HydrophobicContact CD-CE1 3.89Å; K30-F56 HydrophobicContact CD-CZ 3.95Å; E38-F56 HydrophobicContact CB-CE2 4.4Å; E38-F56 HydrophobicContact CB-CZ 4.36Å; I40-F56 HydrophobicContact CB-CD2 4.27Å; I40-F56 HydrophobicContact CB-CG 4.24Å; I40-F56 HydrophobicContact CG1-CD1 4.2Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.12Å; I40-F56 HydrophobicContact CG1-CE2 4.16Å; I40-F56 HydrophobicContact CG1-CG 4.26Å; I40-F56 HydrophobicContact CG1-CZ 4.09Å; I40-F56 HydrophobicContact CG2-CB 3.76Å; I40-F56 HydrophobicContact CG2-CD1 4.12Å; I40-F56 HydrophobicContact CG2-CD2 4.33Å; I40-F56 HydrophobicContact CG2-CG 3.81Å; N53-F56 HydrophobicContact CB-CD2 4.05Å; N53-F56 PolarHBondContact O-N 2.84Å; Q54-F56 PolarHBondContact O-N 2.8Å; F56-G58 PolarHBondContact O-N 2.9Å; F56-K59 WeakPolarHBondContact O-CB 3.47Å; F56-K59 PolarHBondContact O-N 3.46Å; F56-A60 HydrophobicContact CB-CB 4.42Å; F56-A60 PolarHBondContact O-N 2.88Å
57K94.2Very high96.4Very high163 Ų16373.2 Ų73.271%0.70940%0.399SS*.BIsolated β-bridgetrans-63122.8175.9-165.9172.8-175.8176.70109.2N53 Q54 K59N53-K57 PolarHBondContact O-N 3.33Å; Q54-K57 PolarHBondContact O-N 2.73Å; K57-K59 PolarHBondContact O-N 2.91Å
58G93.4Very high96.4Very high75 Ų7570 Ų7077%0.77339%0.385SS*.THydrogen-bonded Turntrans83.9-15.6-174.600000114.8F56F56-G58 PolarHBondContact O-N 2.9Å
59K96.1Very high96.4Very high40 Ų4068.7 Ų68.717%0.17438%0.376CS..THydrogen-bonded Turntrans-88.4-43.1172.5-176.968177.4-169.60111.9F56 K57 S76 S77 D82F56-K59 WeakPolarHBondContact O-CB 3.47Å; F56-K59 PolarHBondContact O-N 3.46Å; K57-K59 PolarHBondContact O-N 2.91Å; K59-S76 VanDerWaalsContact CD-O 3.25Å; K59-S76 WeakPolarHBondContact CD-O 3.3Å; K59-S76 WeakPolarHBondContact CE-O 3.46Å; K59-S76 PolarHBondContact NZ-O 3.36Å; K59-S76 PolarHBondContact O-N 2.87Å; K59-S77 PolarHBondContact NZ-O 2.95Å; K59-D82 WeakPolarHBondContact CE-OD1 3.45Å; K59-D82 WeakPolarHBondContact CE-OD2 3.4Å; K59-D82 IonicContact NZ-OD1 3.99Å; K59-D82 IonicContact NZ-OD2 2.68Å; K59-D82 PolarHBondContact NZ-OD2 3.16Å
60A97.9Very high96.4Very high3 Ų363.3 Ų63.33%0.02536%0.356CS..EExtended strand (participates in β ladder)trans-108.4139.8-179.200000110.9I40 Y52 F56 M73 Q74 L75I40-A60 HydrophobicContact CG2-CB 3.78Å; Y52-A60 HydrophobicContact CE1-CB 4.42Å; Y52-A60 VanDerWaalsContact CE1-O 3.31Å; Y52-A60 WeakPolarHBondContact CE1-O 3.49Å; F56-A60 HydrophobicContact CB-CB 4.42Å; F56-A60 PolarHBondContact O-N 2.88Å; A60-M73 HydrophobicContact CB-CG 4.31Å; A60-M73 HydrophobicContact CB-SD 4.36Å; A60-Q74 CarbonylContact C-O 3.58Å; A60-Q74 WeakPolarHBondContact CA-O 3.27Å; A60-L75 HydrophobicContact CB-CD2 3.96Å
61T98.3Very high96.4Very high65 Ų6561 Ų6140%0.39934%0.342SS..EExtended strand (participates in β ladder)trans-121.1119.5169.5-57.80000108.5T63 M73 Q74T61-T63 HydrophobicContact CG2-CG2 4.33Å; T61-M73 WeakPolarHBondContact O-CA 3.25Å; T61-Q74 PolarHBondContact N-O 2.97Å; T61-Q74 PolarHBondContact O-N 2.95Å
62L98.4Very high96.5Very high8 Ų859.9 Ų59.94%0.04233%0.332CS..EExtended strand (participates in β ladder)trans-96.4133.8177.3-53.3-176.6000110.3W28 I43 T50 Y52 Y72 M73W28-L62 VanDerWaalsContact CD1-CD2 3.5Å; W28-L62 HydrophobicContact CG-CD2 3.97Å; I43-L62 HydrophobicContact CB-CB 4.11Å; I43-L62 HydrophobicContact CB-CD1 4.28Å; I43-L62 HydrophobicContact CD1-CB 4.04Å; I43-L62 HydrophobicContact CG2-CB 4.41Å; T50-L62 HydrophobicContact CG2-CB 4.03Å; Y52-L62 HydrophobicContact CE1-CD1 4.03Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 3.3Å; L62-Y72 WeakPolarHBondContact CA-O 3.47Å; L62-M73 HydrophobicContact CD2-CB 3.69Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.25Å
63T98.2Very high96.5Very high61 Ų6157.4 Ų57.437%0.37432%0.322SS..EExtended strand (participates in β ladder)trans-139.1161.8174.159.30000110.7T61 Y72T61-T63 HydrophobicContact CG2-CG2 4.33Å; T63-Y72 PolarHBondContact N-O 2.79Å; T63-Y72 PolarHBondContact O-N 3.5Å
64V97.5Very high96.6Very high30 Ų3059 Ų5918%0.18233%0.329CS..EExtended strand (participates in β ladder)trans-132.1147.5177.7-74.50000110.3F21 I43 P45 S48 A71F21-V64 HydrophobicContact CE1-CB 4.37Å; F21-V64 HydrophobicContact CE1-CG1 4.36Å; F21-V64 HydrophobicContact CZ-CB 4.5Å; F21-V64 HydrophobicContact CZ-CG1 4.06Å; I43-V64 HydrophobicContact CD1-CB 4.38Å; I43-V64 HydrophobicContact CD1-CG1 3.72Å; I43-V64 HydrophobicContact CD1-CG2 4.11Å; I43-V64 HydrophobicContact CG1-CG1 3.85Å; I43-V64 HydrophobicContact CG2-CG1 3.87Å; P45-V64 HydrophobicContact CB-CG1 4.08Å; P45-V64 HydrophobicContact CG-CG1 4.29Å; S48-V64 WeakPolarHBondContact OG-CG2 3.12Å; V64-A71 HydrophobicContact CG1-CB 4.14Å
65D96.9Very high96.7Very high53 Ų5350.6 Ų50.628%0.28329%0.289SS..EExtended strand (participates in β ladder)trans-122.9103166.1174.68.1000107.8S67 S68 S69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 2.91Å; D65-S67 WeakPolarHBondContact OD1-CB 3.35Å; D65-S67 PolarHBondContact OD1-N 3.34Å; D65-S67 PolarHBondContact OD1-OG 2.92Å; D65-S68 PolarHBondContact O-N 3.31Å; D65-S68 PolarHBondContact OD1-N 3.23Å; D65-S68 WeakPolarHBondContact OD2-CB 3.47Å; D65-S68 PolarHBondContact OD2-OG 3Å; D65-S69 PolarHBondContact O-N 2.98Å; D65-T70 PolarHBondContact N-O 2.98Å; D65-T70 PolarHBondContact O-N 2.98Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å
66T94.9Very high96.8Very high79 Ų7945 Ų4549%0.48527%0.268SS..THydrogen-bonded Turntrans-70.1-27-17852.10000112.1T22 P45 S68 S69T22-T66 HydrophobicContact CG2-CG2 4.09Å; P45-T66 VanDerWaalsContact O-CG2 3.3Å; P45-T66 WeakPolarHBondContact O-CG2 3.24Å; T66-S68 VanDerWaalsContact C-N 3.33Å; T66-S68 PolarHBondContact O-N 2.86Å; T66-S69 PolarHBondContact O-N 3.25Å
67S94.6Very high96.8Very high107 Ų10748.2 Ų48.275%0.74829%0.293SS*.THydrogen-bonded Turntrans-67-36178.976.50000112.3D65D65-S67 VanDerWaalsContact C-N 3.28Å; D65-S67 PolarHBondContact O-N 2.91Å; D65-S67 WeakPolarHBondContact OD1-CB 3.35Å; D65-S67 PolarHBondContact OD1-N 3.34Å; D65-S67 PolarHBondContact OD1-OG 2.92Å
68S96.1Very high96.9Very high36 Ų3640.5 Ų40.525%0.25226%0.259SS..THydrogen-bonded Turntrans-99.72.6176.668.10000113.6D65 T66 T70D65-S68 PolarHBondContact O-N 3.31Å; D65-S68 PolarHBondContact OD1-N 3.23Å; D65-S68 WeakPolarHBondContact OD2-CB 3.47Å; D65-S68 PolarHBondContact OD2-OG 3Å; T66-S68 VanDerWaalsContact C-N 3.33Å; T66-S68 PolarHBondContact O-N 2.86Å; S68-T70 PolarHBondContact O-N 3.47Å; S68-T70 PolarHBondContact O-OG1 2.82Å; S68-T70 WeakPolarHBondContact OG-CB 3.31Å; S68-T70 PolarHBondContact OG-OG1 3.31Å
69S95.9Very high97Very high43 Ų4339.8 Ų39.830%0.30124%0.24SC..THydrogen-bonded Turntrans50.643-174.7-63.20000112.8A16 F21 D65 T66A16-S69 WeakPolarHBondContact CB-O 3.41Å; A16-S69 PolarHBondContact N-O 3.29Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; D65-S69 PolarHBondContact O-N 2.98Å; T66-S69 PolarHBondContact O-N 3.25Å
70T97.4Very high96.8Very high9 Ų942.4 Ų42.46%0.05526%0.263CS..EExtended strand (participates in β ladder)trans-124.5127.9-173.4-56.20000111.2C14 K15 D65 S68 Y72C14-T70 WeakPolarHBondContact O-CA 3.06Å; K15-T70 HydrophobicContact CB-CG2 4.47Å; D65-T70 PolarHBondContact N-O 2.98Å; D65-T70 PolarHBondContact O-N 2.98Å; S68-T70 PolarHBondContact O-N 3.47Å; S68-T70 PolarHBondContact O-OG1 2.82Å; S68-T70 WeakPolarHBondContact OG-CB 3.31Å; S68-T70 PolarHBondContact OG-OG1 3.31Å; T70-Y72 HydrophobicContact CG2-CD1 4.27Å; T70-Y72 HydrophobicContact CG2-CD2 4.37Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.33Å
71A97.4Very high96.6Very high0 Ų048.4 Ų48.40%029%0.291CS..EExtended strand (participates in β ladder)trans-93.6149.4167.700000110S13 C14 F21 M26 W28 V64S13-A71 CarbonylContact C-O 3.57Å; S13-A71 WeakPolarHBondContact CA-O 3.36Å; C14-A71 PolarHBondContact N-O 2.95Å; C14-A71 PolarHBondContact O-N 2.03Å; F21-A71 HydrophobicContact CE2-CB 4.32Å; F21-A71 HydrophobicContact CZ-CB 3.99Å; M26-A71 HydrophobicContact CB-CB 4.2Å; M26-A71 HydrophobicContact CE-CB 4.5Å; M26-A71 HydrophobicContact CG-CB 3.71Å; W28-A71 HydrophobicContact CZ2-CB 4.32Å; V64-A71 HydrophobicContact CG1-CB 4.14Å
72Y98.3Very high96.5Very high51 Ų5145.7 Ų45.720%0.227%0.273CS..EExtended strand (participates in β ladder)trans-130.2147.4177.9-56.5-87.6000111K11 L12 S13 L62 T63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.37Å; K11-Y72 VanDerWaalsContact CE-CD1 3.41Å; K11-Y72 VanDerWaalsContact CE-CG 3.46Å; K11-Y72 HydrophobicContact CG-CD1 4.36Å; L12-Y72 CarbonylContact O-C 3.43Å; L12-Y72 WeakPolarHBondContact O-CA 3.35Å; S13-Y72 VanDerWaalsContact CB-CE1 3.5Å; L62-Y72 WeakPolarHBondContact CA-O 3.47Å; T63-Y72 PolarHBondContact N-O 2.79Å; T63-Y72 PolarHBondContact O-N 3.5Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å; T70-Y72 HydrophobicContact CG2-CD1 4.27Å; T70-Y72 HydrophobicContact CG2-CD2 4.37Å; T70-Y72 HydrophobicContact CG2-CE1 3.67Å; T70-Y72 HydrophobicContact CG2-CE2 3.76Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.33Å
73M98.4Very high96.4Very high0 Ų049.2 Ų49.20%029%0.289CS..EExtended strand (participates in β ladder)trans-126120.6166.7176.9-17966.600108.7L12 W28 I40 A60 T61 L62 L75 Y86L12-M73 HydrophobicContact CD1-CE 3.66Å; L12-M73 HydrophobicContact CG-CE 4.42Å; L12-M73 PolarHBondContact N-O 3.09Å; L12-M73 PolarHBondContact O-N 2.77Å; W28-M73 HydrophobicContact CB-SD 3.98Å; W28-M73 HydrophobicContact CD2-CB 3.65Å; W28-M73 HydrophobicContact CD2-CE 4.35Å; W28-M73 HydrophobicContact CD2-CG 4.44Å; W28-M73 HydrophobicContact CD2-SD 4.12Å; W28-M73 HydrophobicContact CE3-CB 3.84Å; W28-M73 HydrophobicContact CE3-CE 3.71Å; W28-M73 HydrophobicContact CE3-SD 4.07Å; W28-M73 HydrophobicContact CG-CB 4.21Å; W28-M73 HydrophobicContact CG-SD 4.1Å; W28-M73 HydrophobicContact CH2-CB 4.04Å; W28-M73 HydrophobicContact CZ2-CB 3.88Å; W28-M73 HydrophobicContact CZ3-CB 4.03Å; W28-M73 HydrophobicContact CZ3-CE 4.15Å; I40-M73 HydrophobicContact CD1-CE 4.03Å; I40-M73 HydrophobicContact CD1-SD 3.59Å; I40-M73 VanDerWaalsContact CD1-SD 3.59Å; I40-M73 HydrophobicContact CG2-SD 3.99Å; A60-M73 HydrophobicContact CB-CG 4.31Å; A60-M73 HydrophobicContact CB-SD 4.36Å; T61-M73 WeakPolarHBondContact O-CA 3.25Å; L62-M73 HydrophobicContact CD2-CB 3.69Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.25Å; M73-L75 HydrophobicContact CE-CD1 3.92Å; M73-L75 HydrophobicContact CE-CD2 4.25Å; M73-L75 HydrophobicContact CE-CG 4Å; M73-L75 HydrophobicContact CG-CD2 4.43Å; M73-L75 HydrophobicContact CG-CG 4.39Å; M73-L75 HydrophobicContact SD-CD2 4.08Å; M73-L75 HydrophobicContact SD-CG 4.35Å; M73-Y86 HydrophobicContact CE-CD1 3.59Å; M73-Y86 HydrophobicContact CE-CE1 4.19Å; M73-Y86 HydrophobicContact CE-CG 4.15Å
74Q98.3Very high96.3Very high80 Ų8046.4 Ų46.437%0.37427%0.271SS..EExtended strand (participates in β ladder)trans-97.4124169.2-176.6173.4-200109.4V10 A60 T61V10-Q74 CarbonylContact O-C 3.56Å; V10-Q74 WeakPolarHBondContact O-CA 3.41Å; A60-Q74 CarbonylContact C-O 3.58Å; A60-Q74 WeakPolarHBondContact CA-O 3.27Å; T61-Q74 PolarHBondContact N-O 2.97Å; T61-Q74 PolarHBondContact O-N 2.95Å
75L97.7Very high96.4Very high0 Ų046.6 Ų46.60%027%0.273CS..EExtended strand (participates in β ladder)trans-102.2127.2171.3-65166.7000108.8S9 V10 A60 M73 L78 Y86S9-L75 CarbonylContact C-O 3.51Å; S9-L75 WeakPolarHBondContact CA-O 3.01Å; S9-L75 VanDerWaalsContact CB-O 3.27Å; S9-L75 WeakPolarHBondContact CB-O 2.99Å; V10-L75 HydrophobicContact CG1-CB 4.07Å; V10-L75 HydrophobicContact CG1-CD1 4.18Å; V10-L75 PolarHBondContact N-O 2.73Å; V10-L75 PolarHBondContact O-N 2.81Å; A60-L75 HydrophobicContact CB-CD2 3.96Å; M73-L75 HydrophobicContact CE-CD1 3.92Å; M73-L75 HydrophobicContact CE-CD2 4.25Å; M73-L75 HydrophobicContact CE-CG 4Å; M73-L75 HydrophobicContact CG-CD2 4.43Å; M73-L75 HydrophobicContact CG-CG 4.39Å; M73-L75 HydrophobicContact SD-CD2 4.08Å; M73-L75 HydrophobicContact SD-CG 4.35Å; L75-L78 HydrophobicContact CB-CD2 3.75Å; L75-L78 HydrophobicContact CD1-CD2 4.36Å; L75-Y86 HydrophobicContact CD1-CD1 4.09Å; L75-Y86 HydrophobicContact CD1-CE1 3.49Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.49Å; L75-Y86 HydrophobicContact CD1-CE2 4.03Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.45Å; L75-Y86 HydrophobicContact CD2-CE1 4.45Å
76S96.8Very high96.4Very high31 Ų3144.2 Ų44.222%0.21726%0.26CS..PPolyproline II helixtrans-103.4154.3-176.4-59.10000112.1K59 L78K59-S76 VanDerWaalsContact CD-O 3.25Å; K59-S76 WeakPolarHBondContact CD-O 3.3Å; K59-S76 WeakPolarHBondContact CE-O 3.46Å; K59-S76 PolarHBondContact NZ-O 3.36Å; K59-S76 PolarHBondContact O-N 2.87Å; S76-L78 PolarHBondContact O-N 2.85Å
77S95.8Very high96.5Very high79 Ų7942.6 Ų42.655%0.55225%0.245SC*.SBendtrans5053.3171.9-53.80000113.2T8 K59T8-S77 PolarHBondContact O-N 3.36Å; K59-S77 PolarHBondContact NZ-O 2.95Å
78L96.1Very high96.6Very high1 Ų138.2 Ų38.21%0.00521%0.214CC..  trans-59.5140.7-171.3-69.8172000112.8V4 P6 G7 T8 V10 L75 S76 D82 V105V4-L78 HydrophobicContact CB-CD1 4.05Å; V4-L78 HydrophobicContact CG2-CD1 3.34Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.2Å; G7-L78 PolarHBondContact N-O 2.97Å; T8-L78 WeakPolarHBondContact O-CB 3.43Å; T8-L78 WeakPolarHBondContact O-CG 3.07Å; T8-L78 PolarHBondContact O-N 2.82Å; V10-L78 HydrophobicContact CB-CD1 4Å; V10-L78 HydrophobicContact CG1-CD1 3.82Å; V10-L78 HydrophobicContact CG1-CD2 4.44Å; L75-L78 HydrophobicContact CB-CD2 3.75Å; L75-L78 HydrophobicContact CD1-CD2 4.36Å; S76-L78 PolarHBondContact O-N 2.85Å; L78-D82 WeakPolarHBondContact CA-OD2 3.33Å; L78-D82 HydrophobicContact CD2-CB 3.65Å; L78-V105 HydrophobicContact CB-CG1 4.4Å; L78-V105 HydrophobicContact CB-CG2 4.2Å
79T95.3Very high96.5Very high60 Ų6036.6 Ų36.637%0.36820%0.203SC..  trans-123.9172.2175.468.90000110.2E81 D82 V105T79-E81 PolarHBondContact O-N 3.26Å; T79-E81 VanDerWaalsContact O-N 3.11Å; T79-E81 PolarHBondContact OG1-N 2.88Å; T79-D82 PolarHBondContact N-OD2 2.87Å; T79-D82 WeakPolarHBondContact O-CB 3.35Å; T79-D82 PolarHBondContact O-N 2.87Å; T79-V105 WeakPolarHBondContact O-CG2 3.17Å
80S93.3Very high96.2Very high94 Ų9435 Ų3566%0.65719%0.191SC*.G310 helixtrans-56.1-26.5174.151.30000113D82 F83S80-D82 PolarHBondContact O-N 3.38Å; S80-F83 WeakPolarHBondContact O-CB 3.36Å; S80-F83 PolarHBondContact O-N 3.31Å
81E92.6Very high95Very high130 Ų13036.5 Ų36.561%0.60720%0.202SC*.G310 helixtrans-69.5-15.8176.6-59.6-173.8174.600113.6K30 R32 T79 F83K30-E81 WeakPolarHBondContact CE-O 3.46Å; K30-E81 PolarHBondContact NZ-O 3Å; R32-E81 PolarHBondContact NE-O 2.86Å; R32-E81 PolarHBondContact NH2-O 3.21Å; T79-E81 PolarHBondContact O-N 3.26Å; T79-E81 VanDerWaalsContact O-N 3.11Å; T79-E81 PolarHBondContact OG1-N 2.88Å; E81-F83 VanDerWaalsContact C-N 3.29Å
82D95.8Very high93.2Very high7 Ų742.5 Ų42.54%0.03723%0.234CC..G310 helixtrans-85.70.7175.6-62.3-50.4000113.3K30 K59 L78 T79 S80 A84 Y86 V105K30-D82 IonicContact NZ-OD1 3.09Å; K30-D82 PolarHBondContact NZ-OD1 3.4Å; K59-D82 WeakPolarHBondContact CE-OD1 3.45Å; K59-D82 WeakPolarHBondContact CE-OD2 3.4Å; K59-D82 IonicContact NZ-OD1 3.99Å; K59-D82 IonicContact NZ-OD2 2.68Å; K59-D82 PolarHBondContact NZ-OD2 3.16Å; L78-D82 WeakPolarHBondContact CA-OD2 3.33Å; L78-D82 HydrophobicContact CD2-CB 3.65Å; T79-D82 PolarHBondContact N-OD2 2.87Å; T79-D82 WeakPolarHBondContact O-CB 3.35Å; T79-D82 PolarHBondContact O-N 2.87Å; S80-D82 PolarHBondContact O-N 3.38Å; D82-A84 PolarHBondContact O-N 2.82Å; D82-Y86 WeakPolarHBondContact O-CE2 3.19Å; D82-Y86 PolarHBondContact O-OH 2.97Å; D82-Y86 VanDerWaalsContact O-OH 3.09Å; D82-V105 HydrophobicContact CB-CG2 4.23Å
83F96.7Very high91.1Very high83 Ų8344.6 Ų44.636%0.36425%0.254SS..  trans-64107.2167.3176.3-116.7000110.8P33 S80 E81 L102 V103 T104P33-F83 HydrophobicContact CG-CD1 4.25Å; P33-F83 HydrophobicContact CG-CE1 3.65Å; P33-F83 HydrophobicContact CG-CZ 4.34Å; S80-F83 WeakPolarHBondContact O-CB 3.36Å; S80-F83 PolarHBondContact O-N 3.31Å; E81-F83 VanDerWaalsContact C-N 3.29Å; F83-L102 HydrophobicContact CE2-CD1 3.93Å; F83-L102 HydrophobicContact CZ-CD1 4.46Å; F83-V103 WeakPolarHBondContact CA-O 3.44Å; F83-V103 WeakPolarHBondContact CD2-O 3.31Å; F83-T104 HydrophobicContact CD2-CG2 4.43Å; F83-T104 HydrophobicContact CE2-CG2 4.38Å
84A97.6Very high89.3Confident1 Ų149.6 Ų49.61%0.00828%0.275CS..EExtended strand (participates in β ladder)trans-167165.6-175.400000111.2K30 Q31 R32 D82 Y86 V103K30-A84 HydrophobicContact CD-CB 4.19Å; K30-A84 HydrophobicContact CG-CB 3.5Å; K30-A84 VanDerWaalsContact CG-CB 3.5Å; Q31-A84 WeakPolarHBondContact O-CA 3.38Å; Q31-A84 VanDerWaalsContact O-CB 3.26Å; Q31-A84 WeakPolarHBondContact O-CB 3.4Å; R32-A84 HydrophobicContact CG-CB 4.26Å; D82-A84 PolarHBondContact O-N 2.82Å; A84-Y86 HydrophobicContact CB-CD2 4.27Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; A84-V103 PolarHBondContact N-O 2.97Å; A84-V103 PolarHBondContact O-N 3.46Å
85V98.2Very high87.8Confident35 Ų3548.5 Ų48.521%0.21228%0.28CS..EExtended strand (participates in β ladder)trans-88.8131.9159.7-1700000108.4Q31 Y87 L102Q31-V85 PolarHBondContact N-O 2.92Å; Q31-V85 PolarHBondContact O-N 2.83Å; V85-Y87 HydrophobicContact CB-CE2 3.72Å; V85-Y87 HydrophobicContact CG1-CD2 4.24Å; V85-Y87 HydrophobicContact CG1-CE1 3.85Å; V85-Y87 HydrophobicContact CG1-CE2 3.54Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.49Å; V85-L102 HydrophobicContact CG2-CB 4.41Å; V85-L102 HydrophobicContact CG2-CD1 3.91Å
86Y98.2Very high87.1Confident3 Ų356.2 Ų56.21%0.01231%0.311CS..EExtended strand (participates in β ladder)trans-110.1128178.7-69.7-91.3000109.9L12 V29 K30 I40 M73 L75 D82 A84 G100 T101 V103L12-Y86 VanDerWaalsContact CD1-CB 3.48Å; L12-Y86 HydrophobicContact CD1-CD2 4.19Å; L12-Y86 HydrophobicContact CD1-CG 3.82Å; V29-Y86 CarbonylContact O-C 3.58Å; V29-Y86 WeakPolarHBondContact O-CA 3.19Å; K30-Y86 HydrophobicContact CB-CD1 4.1Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.91Å; K30-Y86 WeakPolarHBondContact CE-OH 3.49Å; K30-Y86 HydrophobicContact CG-CD1 4.23Å; K30-Y86 HydrophobicContact CG-CE1 3.71Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.82Å; M73-Y86 HydrophobicContact CE-CD1 3.59Å; M73-Y86 HydrophobicContact CE-CE1 4.19Å; M73-Y86 HydrophobicContact CE-CG 4.15Å; L75-Y86 HydrophobicContact CD1-CD1 4.09Å; L75-Y86 HydrophobicContact CD1-CE1 3.49Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.49Å; L75-Y86 HydrophobicContact CD1-CE2 4.03Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.45Å; L75-Y86 HydrophobicContact CD2-CE1 4.45Å; D82-Y86 WeakPolarHBondContact O-CE2 3.19Å; D82-Y86 PolarHBondContact O-OH 2.97Å; D82-Y86 VanDerWaalsContact O-OH 3.09Å; A84-Y86 HydrophobicContact CB-CD2 4.27Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; Y86-G100 CarbonylContact O-C 3.55Å; Y86-G100 VanDerWaalsContact O-CA 3.24Å; Y86-G100 WeakPolarHBondContact O-CA 3.26Å; Y86-T101 PolarHBondContact N-O 3.04Å; Y86-T101 PolarHBondContact O-N 3.05Å; Y86-V103 HydrophobicContact CD2-CB 3.94Å; Y86-V103 HydrophobicContact CD2-CG2 3.55Å; Y86-V103 HydrophobicContact CE2-CB 3.79Å; Y86-V103 HydrophobicContact CE2-CG2 3.82Å
87Y97.2Very high86.9Confident45 Ų4559.7 Ų59.718%0.17632%0.319CS..EExtended strand (participates in β ladder)trans-116148.9-176.9-59.7-87000110.6W28 V29 Q31 V85 W97 G100W28-Y87 WeakPolarHBondContact CA-O 3.46Å; V29-Y87 PolarHBondContact N-O 3.11Å; V29-Y87 PolarHBondContact O-N 3.1Å; Q31-Y87 HydrophobicContact CB-CD2 4.41Å; Q31-Y87 HydrophobicContact CB-CE2 3.84Å; Q31-Y87 PolarHBondContact OE1-OH 2.81Å; V85-Y87 HydrophobicContact CB-CE2 3.72Å; V85-Y87 HydrophobicContact CG1-CD2 4.24Å; V85-Y87 HydrophobicContact CG1-CE1 3.85Å; V85-Y87 HydrophobicContact CG1-CE2 3.54Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.49Å; Y87-W97 HydrophobicContact CD1-CE3 4.36Å; Y87-W97 HydrophobicContact CG-CE3 4.07Å; Y87-W97 HydrophobicContact CG-CZ3 4.25Å; Y87-G100 VanDerWaalsContact CD1-CA 3.42Å
88C95.6Very high86.8Confident15 Ų1557.1 Ų57.110%0.10131%0.305CS..EExtended strand (participates in β ladder)trans-105.9149159.360.40000109.6C14 M26 H27 W28 G98C14-C88 HydrophobicContact CB-CB 3.48Å; C14-C88 VanDerWaalsContact CB-CB 3.48Å; C14-C88 WeakPolarHBondContact CB-SG 3.34Å; C14-C88 WeakPolarHBondContact SG-CB 3.43Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 3.27Å; M26-C88 HydrophobicContact CG-CB 4.44Å; M26-C88 HydrophobicContact SD-CB 3.73Å; H27-C88 CarbonylContact O-C 3.4Å; H27-C88 WeakPolarHBondContact O-CA 3.3Å; W28-C88 HydrophobicContact CD2-CB 4.46Å; W28-C88 HydrophobicContact CE3-CB 4.32Å; W28-C88 HydrophobicContact CH2-CB 4.41Å; W28-C88 HydrophobicContact CZ3-CB 4.3Å; C88-G98 PolarHBondContact O-N 3.31Å
89A93.8Very high86.6Confident2 Ų266.1 Ų66.12%0.01735%0.347CS..EExtended strand (participates in β ladder)trans-148.4153.6175.700000110.2H27 F94 Y96 W97H27-A89 WeakPolarHBondContact CA-O 3.35Å; H27-A89 WeakPolarHBondContact CB-O 3.38Å; H27-A89 PolarHBondContact N-O 2.77Å; H27-A89 PolarHBondContact O-N 2.67Å; A89-F94 HydrophobicContact CB-CD1 4.21Å; A89-Y96 VanDerWaalsContact CA-O 3.31Å; A89-Y96 WeakPolarHBondContact CA-O 3.43Å; A89-W97 HydrophobicContact CB-CD2 3.93Å; A89-W97 HydrophobicContact CB-CE3 4.1Å; A89-W97 HydrophobicContact CB-CG 4.35Å; A89-W97 HydrophobicContact CB-CH2 4.47Å; A89-W97 HydrophobicContact CB-CZ2 4.32Å; A89-W97 HydrophobicContact CB-CZ3 4.38Å
90I90Very high86.7Confident9 Ų964.5 Ų64.55%0.04634%0.343CS..EExtended strand (participates in β ladder)trans-108.1145.5172.955.7169.3000111Y19 Y24 W25 M26 F94 Y96Y19-I90 HydrophobicContact CD1-CD1 4.21Å; Y19-I90 HydrophobicContact CD2-CD1 4.45Å; Y19-I90 HydrophobicContact CE1-CD1 3.89Å; Y19-I90 HydrophobicContact CE2-CD1 4.12Å; Y19-I90 HydrophobicContact CE2-CG2 4.27Å; Y19-I90 HydrophobicContact CG-CD1 4.49Å; Y19-I90 WeakPolarHBondContact OH-CG2 3.44Å; Y24-I90 HydrophobicContact CG-CD1 4.28Å; W25-I90 WeakPolarHBondContact O-CA 3.47Å; M26-I90 HydrophobicContact CE-CG2 3.8Å; M26-I90 HydrophobicContact SD-CG2 3.92Å; I90-F94 WeakPolarHBondContact O-CA 3.47Å; I90-Y96 HydrophobicContact CD1-CD2 4.01Å; I90-Y96 HydrophobicContact CG1-CD2 4.34Å; I90-Y96 PolarHBondContact N-O 3.01Å
91S73.2Confident86.9Confident40 Ų4061.9 Ų61.928%0.2832%0.323SS..SBendtrans-96.997.2176.371.50000111.4W25 H27W25-S91 PolarHBondContact O-N 2.86Å; H27-S91 WeakPolarHBondContact NE2-CB 3.5Å; H27-S91 PolarHBondContact NE2-OG 3.28Å
92D58.1Low87.1Confident127 Ų12758.8 Ų58.868%0.67931%0.31SS*.SBendtrans-175.199.7131.3-163.27000110.7Y24Y24-D92 HydrophobicContact CD1-CB 4.37Å; Y24-D92 HydrophobicContact CE1-CB 4.1Å
93P54Low87.2Confident94 Ų9458.5 Ų58.561%0.6131%0.308SS*.SBendcis-63.7-171.1-31.732.3-29.5000108.6A95P93-A95 HydrophobicContact CG-CB 4.07Å; P93-A95 PolarHBondContact O-N 2.89Å
94F60.9Low87.2Confident105 Ų10556.6 Ų56.646%0.46130%0.304SS..THydrogen-bonded Turntrans-64.948170.1-66.8-87.2000112.8H27 A89 I90 W97H27-F94 HydrophobicContact CB-CE1 4.17Å; H27-F94 AromaticContact CD2-CE1 3.75Å; H27-F94 AromaticContact CE1-CE1 3.95Å; H27-F94 AromaticContact CE1-CZ 3.9Å; H27-F94 AromaticContact CG-CE1 3.63Å; H27-F94 AromaticContact ND1-CE1 3.75Å; H27-F94 AromaticContact NE2-CE1 3.96Å; A89-F94 HydrophobicContact CB-CD1 4.21Å; I90-F94 WeakPolarHBondContact O-CA 3.47Å; F94-W97 PolarHBondContact O-NE1 3.41Å
95A66.4Low87.1Confident57 Ų5757.5 Ų57.547%0.47131%0.309SS..THydrogen-bonded Turntrans-74.8-33.9-173.900000111.3P93P93-A95 HydrophobicContact CG-CB 4.07Å; P93-A95 PolarHBondContact O-N 2.89Å
96Y84.4Confident86.7Confident163 Ų16358.1 Ų58.164%0.63932%0.315SS*.  trans-111.4114-173.2-58.1-74.4000110.7A89 I90A89-Y96 VanDerWaalsContact CA-O 3.31Å; A89-Y96 WeakPolarHBondContact CA-O 3.43Å; I90-Y96 HydrophobicContact CD1-CD2 4.01Å; I90-Y96 HydrophobicContact CG1-CD2 4.34Å; I90-Y96 PolarHBondContact N-O 3.01Å
97W91.9Very high85.6Confident103 Ų10364.3 Ų64.339%0.3937%0.367SS..BIsolated β-bridgetrans-109.1139.4174.7-70.473.8000109.3V29 L37 Y87 A89 F94V29-W97 HydrophobicContact CB-CH2 4.32Å; V29-W97 HydrophobicContact CB-CZ3 4Å; V29-W97 HydrophobicContact CG1-CH2 4.28Å; V29-W97 HydrophobicContact CG1-CZ3 4.21Å; V29-W97 HydrophobicContact CG2-CH2 3.94Å; V29-W97 HydrophobicContact CG2-CZ3 3.99Å; L37-W97 HydrophobicContact CD1-CH2 3.85Å; L37-W97 HydrophobicContact CD1-CZ2 4.42Å; L37-W97 HydrophobicContact CD1-CZ3 4.46Å; Y87-W97 HydrophobicContact CD1-CE3 4.36Å; Y87-W97 HydrophobicContact CG-CE3 4.07Å; Y87-W97 HydrophobicContact CG-CZ3 4.25Å; A89-W97 HydrophobicContact CB-CD2 3.93Å; A89-W97 HydrophobicContact CB-CE3 4.1Å; A89-W97 HydrophobicContact CB-CG 4.35Å; A89-W97 HydrophobicContact CB-CH2 4.47Å; A89-W97 HydrophobicContact CB-CZ2 4.32Å; A89-W97 HydrophobicContact CB-CZ3 4.38Å; F94-W97 PolarHBondContact O-NE1 3.41Å
98G92.9Very high85.1Confident26 Ų2665.3 Ų65.327%0.26838%0.376SS..  trans-63.9159.716300000110.9C88 G100C88-G98 PolarHBondContact O-N 3.31Å; G98-G100 PolarHBondContact O-N 3.3Å
99Q93.7Very high84.5Confident189 Ų18967.9 Ų67.988%0.88339%0.391SS*.  trans-60.7-18.3178.2-66.7-64.3-42.800113.6
100G95.6Very high84Confident27 Ų2771.6 Ų71.628%0.27841%0.411SS..  trans83.9150-17700000112.4Y86 Y87 G98Y86-G100 CarbonylContact O-C 3.55Å; Y86-G100 VanDerWaalsContact O-CA 3.24Å; Y86-G100 WeakPolarHBondContact O-CA 3.26Å; Y87-G100 VanDerWaalsContact CD1-CA 3.42Å; G98-G100 PolarHBondContact O-N 3.3Å
101T97.8Very high83.6Confident39 Ų3975.2 Ų75.224%0.23943%0.433CS..EExtended strand (participates in β ladder)trans-121.3115.3176.3-61.60000108.7E2 L12 Y86 V103E2-T101 HydrophobicContact CG-CG2 4.03Å; L12-T101 HydrophobicContact CD2-CG2 3.96Å; Y86-T101 PolarHBondContact N-O 3.04Å; Y86-T101 PolarHBondContact O-N 3.05Å; T101-V103 PolarHBondContact O-N 2.61Å
102L97.6Very high84.3Confident65 Ų6577.4 Ų77.434%0.3444%0.442SS..EExtended strand (participates in β ladder)trans-67124.6168.9-179.967.8000109.1A1 E2 F83 V85A1-L102 CarbonylContact C-O 3.52Å; A1-L102 WeakPolarHBondContact CA-O 3.45Å; A1-L102 HydrophobicContact CB-CB 4.07Å; E2-L102 PolarHBondContact N-O 3.47Å; F83-L102 HydrophobicContact CE2-CD1 3.93Å; F83-L102 HydrophobicContact CZ-CD1 4.46Å; V85-L102 HydrophobicContact CG2-CB 4.41Å; V85-L102 HydrophobicContact CG2-CD1 3.91Å
103V97.6Very high86Confident0 Ų074.1 Ų74.10%043%0.427CS..EExtended strand (participates in β ladder)trans-108.5121.3169.91770000108E2 V4 V10 L12 F83 A84 Y86 T101 V105E2-V103 HydrophobicContact CB-CG2 4.35Å; E2-V103 WeakPolarHBondContact O-CA 3.37Å; V4-V103 HydrophobicContact CG2-CG1 3.93Å; V10-V103 HydrophobicContact CG1-CG1 4.34Å; V10-V103 HydrophobicContact CG1-CG2 4.45Å; L12-V103 HydrophobicContact CD1-CG2 4.11Å; L12-V103 HydrophobicContact CD2-CG2 4.04Å; F83-V103 WeakPolarHBondContact CA-O 3.44Å; F83-V103 WeakPolarHBondContact CD2-O 3.31Å; A84-V103 PolarHBondContact N-O 2.97Å; A84-V103 PolarHBondContact O-N 3.46Å; Y86-V103 HydrophobicContact CD2-CB 3.94Å; Y86-V103 HydrophobicContact CD2-CG2 3.55Å; Y86-V103 HydrophobicContact CE2-CB 3.79Å; Y86-V103 HydrophobicContact CE2-CG2 3.82Å; T101-V103 PolarHBondContact O-N 2.61Å; V103-V105 HydrophobicContact CG1-CG2 4.4Å
104T96.7Very high88.3Confident44 Ų4472.7 Ų72.727%0.2741%0.414SS..EExtended strand (participates in β ladder)trans-109.1121.8177.7-57.10000109.9E2 L3 V4 F83E2-T104 PolarHBondContact O-N 3.49Å; L3-T104 HydrophobicContact CD1-CG2 3.65Å; V4-T104 WeakPolarHBondContact CG2-O 3.3Å; V4-T104 PolarHBondContact N-O 3.43Å; F83-T104 HydrophobicContact CD2-CG2 4.43Å; F83-T104 HydrophobicContact CE2-CG2 4.38Å
105V94.6Very high90.4Very high20 Ų2070.2 Ų70.212%0.12141%0.41CS..EExtended strand (participates in β ladder)trans-104108.3177.2-169.70000108.8V4 P6 L78 T79 D82 V103V4-V105 HydrophobicContact CG2-CG2 4.05Å; V4-V105 WeakPolarHBondContact O-CA 3.11Å; P6-V105 HydrophobicContact CB-CG1 4.44Å; P6-V105 HydrophobicContact CG-CG1 4.02Å; L78-V105 HydrophobicContact CB-CG1 4.4Å; L78-V105 HydrophobicContact CB-CG2 4.2Å; T79-V105 WeakPolarHBondContact O-CG2 3.17Å; D82-V105 HydrophobicContact CB-CG2 4.23Å; V103-V105 HydrophobicContact CG1-CG2 4.4Å
106S90.6Very high92.4Very high47 Ų4771.3 Ų71.333%0.32941%0.405SS..  trans-133.2145.7-178.867.30000111.7L3 V4 R5 P6L3-S106 WeakPolarHBondContact CD1-OG 3.26Å; V4-S106 PolarHBondContact O-N 2.62Å; R5-S106 WeakPolarHBondContact CA-O 3.34Å; P6-S106 VanDerWaalsContact CD-O 3.3Å; P6-S106 WeakPolarHBondContact CD-O 3.4Å
107A75.9Confident93.2Very high133 Ų13363 Ų63100%1.09938%0.383SS*.  trans-65.90173.800000111.9

Retrieved 107 of 107 residues in 22.3 ms (Link to these results)

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