X5J5M5_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5M5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 104 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
1S95.9Very high91.5Very high106 Ų10663 Ų6374%0.74142%0.422SS*.  0163.1051.60000109A59 Y60S1-A59 CarbonylContact C-O 3.44Å; S1-A59 VanDerWaalsContact CA-O 3.3Å; S1-A59 WeakPolarHBondContact CA-O 3.28Å; S1-Y60 VanDerWaalsContact CB-CD1 3.42Å; S1-Y60 VanDerWaalsContact CB-CE1 3.46Å
2C95.6Very high91.4Very high16 Ų1663 Ų6311%0.10841%0.408CS..EExtended strand (participates in β ladder)trans-142.9112.2177.1-1780000108.8W16 T58 A59 C76C2-W16 HydrophobicContact CB-CH2 3.75Å; C2-W16 HydrophobicContact CB-CZ2 3.93Å; C2-T58 WeakPolarHBondContact O-CA 3.26Å; C2-A59 PolarHBondContact N-O 3.23Å; C2-A59 PolarHBondContact O-N 2.85Å; C2-C76 HydrophobicContact CB-CB 3.4Å; C2-C76 VanDerWaalsContact CB-CB 3.4Å; C2-C76 WeakPolarHBondContact CB-SG 3.34Å; C2-C76 WeakPolarHBondContact SG-CB 3.27Å; C2-C76 CovalentContact SG-SG 2.02Å; C2-C76 PolarHBondContact SG-SG 2.83Å
3K95.1Very high91.6Very high155 Ų15561.5 Ų61.567%0.67439%0.389SS*.EExtended strand (participates in β ladder)trans-93.6127.6-179.8-175.3171.9-177.1176.60109.8S56 T58K3-S56 WeakPolarHBondContact CE-O 3.41Å; K3-T58 HydrophobicContact CB-CG2 4.45Å
4A92.4Very high91.8Very high11 Ų1157.5 Ų57.59%0.09136%0.363CS..  trans-76.5147.517500000111.5Y7 F9 S57A4-Y7 HydrophobicContact CB-CE1 3.93Å; A4-Y7 HydrophobicContact CB-CE2 3.94Å; A4-Y7 VanDerWaalsContact CB-CZ 3.44Å; A4-Y7 VanDerWaalsContact CB-OH 3.28Å; A4-Y7 WeakPolarHBondContact CB-OH 3.48Å; A4-F9 HydrophobicContact CB-CB 3.92Å; A4-F9 HydrophobicContact CB-CD2 3.31Å; A4-F9 HydrophobicContact CB-CE2 4.03Å; A4-F9 HydrophobicContact CB-CG 3.85Å; A4-S57 PolarHBondContact N-O 2.99Å
5S89.5Confident92.1Very high84 Ų8453.9 Ų53.959%0.58734%0.34SS*.  trans-145.9143.6174.158.60000110Y7S5-Y7 WeakPolarHBondContact O-CD1 3.34Å; S5-Y7 WeakPolarHBondContact O-CE1 3.44Å; S5-Y7 PolarHBondContact O-N 3.25Å
6G87.5Confident92.4Very high91 Ų9151.4 Ų51.494%0.93832%0.322SS*.SBendtrans77.112.3174.100000116.2
7Y85.6Confident92.7Very high48 Ų4848.6 Ų48.619%0.18831%0.305CS..SBendtrans-155.8167.1174.261.9-86.7000112.4A4 S5 F9 Y12 M14 R78A4-Y7 HydrophobicContact CB-CE1 3.93Å; A4-Y7 HydrophobicContact CB-CE2 3.94Å; A4-Y7 VanDerWaalsContact CB-CZ 3.44Å; A4-Y7 VanDerWaalsContact CB-OH 3.28Å; A4-Y7 WeakPolarHBondContact CB-OH 3.48Å; S5-Y7 WeakPolarHBondContact O-CD1 3.34Å; S5-Y7 WeakPolarHBondContact O-CE1 3.44Å; S5-Y7 PolarHBondContact O-N 3.25Å; Y7-F9 HydrophobicContact CE2-CD2 4.4Å; Y7-F9 PolarHBondContact O-N 3.25Å; Y7-F9 VanDerWaalsContact O-N 3.1Å; Y7-Y12 AromaticContact CD2-CD2 3.57Å; Y7-Y12 HydrophobicContact CD2-CD2 3.57Å; Y7-Y12 HydrophobicContact CD2-CE2 4.01Å; Y7-Y12 HydrophobicContact CD2-CG 4.41Å; Y7-Y12 HydrophobicContact CE2-CD2 4.08Å; Y7-Y12 HydrophobicContact CG-CD2 4.47Å; Y7-M14 VanDerWaalsContact OH-CE 3.26Å; Y7-M14 WeakPolarHBondContact OH-CE 3.13Å; Y7-R78 HydrophobicContact CE2-CG 4.33Å
8A90.8Very high92.9Very high55 Ų5546.1 Ų46.146%0.45529%0.289SS..  trans-7199.9172.600000110.2S10 S11 Y12A8-S10 PolarHBondContact O-N 2.78Å; A8-S11 PolarHBondContact O-N 3Å; A8-S11 VanDerWaalsContact O-N 3.08Å; A8-Y12 WeakPolarHBondContact O-CD2 3.48Å
9F91.2Very high93.1Very high10 Ų1047.3 Ų47.34%0.04429%0.29CS..G310 helixtrans-56.1-34.8-174.2177.3-124.2000113.8A4 Y7 S11 M14 P33 V52 S57 A59A4-F9 HydrophobicContact CB-CB 3.92Å; A4-F9 HydrophobicContact CB-CD2 3.31Å; A4-F9 HydrophobicContact CB-CE2 4.03Å; A4-F9 HydrophobicContact CB-CG 3.85Å; Y7-F9 HydrophobicContact CE2-CD2 4.4Å; Y7-F9 PolarHBondContact O-N 3.25Å; Y7-F9 VanDerWaalsContact O-N 3.1Å; F9-S11 PolarHBondContact O-N 2.81Å; F9-M14 HydrophobicContact CE2-CE 4.09Å; F9-P33 HydrophobicContact CD1-CB 3.84Å; F9-P33 HydrophobicContact CD1-CG 4.37Å; F9-P33 HydrophobicContact CD2-CB 4.29Å; F9-P33 HydrophobicContact CD2-CG 3.96Å; F9-P33 HydrophobicContact CE1-CB 3.66Å; F9-P33 HydrophobicContact CE1-CG 4.05Å; F9-P33 HydrophobicContact CE2-CB 4.1Å; F9-P33 HydrophobicContact CE2-CG 3.57Å; F9-P33 HydrophobicContact CG-CB 4.19Å; F9-P33 HydrophobicContact CG-CG 4.37Å; F9-P33 HydrophobicContact CZ-CB 3.79Å; F9-P33 HydrophobicContact CZ-CG 3.63Å; F9-P33 WeakPolarHBondContact O-CB 3.3Å; F9-P33 WeakPolarHBondContact O-CG 3.41Å; F9-V52 HydrophobicContact CD1-CG2 4.44Å; F9-V52 HydrophobicContact CE1-CG2 3.28Å; F9-V52 HydrophobicContact CZ-CG2 3.53Å; F9-S57 VanDerWaalsContact CE1-C 3.44Å; F9-A59 HydrophobicContact CE2-CB 4.34Å; F9-A59 HydrophobicContact CZ-CB 3.97Å
10S92.8Very high93.2Very high59 Ų5948.3 Ų48.341%0.41329%0.289SS..G310 helixtrans-71.4-4.6179.6520000115.4A8 Y32 G34A8-S10 PolarHBondContact O-N 2.78Å; S10-Y32 PolarHBondContact O-OH 2.95Å; S10-G34 WeakPolarHBondContact O-CA 3.48Å
11S90.4Very high93.2Very high58 Ų5851.7 Ų51.741%0.40631%0.312SS..G310 helixtrans-105.3-1.9-174.1-54.50000114.6A8 F9A8-S11 PolarHBondContact O-N 3Å; A8-S11 VanDerWaalsContact O-N 3.08Å; F9-S11 PolarHBondContact O-N 2.81Å
12Y90.1Very high93.1Very high63 Ų6350.9 Ų50.925%0.24732%0.32CS..SBendtrans-135.6143.3-173.2-63.3-88.7000112.2Y7 A8 M14 P33 R78 D80Y7-Y12 AromaticContact CD2-CD2 3.57Å; Y7-Y12 HydrophobicContact CD2-CD2 3.57Å; Y7-Y12 HydrophobicContact CD2-CE2 4.01Å; Y7-Y12 HydrophobicContact CD2-CG 4.41Å; Y7-Y12 HydrophobicContact CE2-CD2 4.08Å; Y7-Y12 HydrophobicContact CG-CD2 4.47Å; A8-Y12 WeakPolarHBondContact O-CD2 3.48Å; Y12-M14 PolarHBondContact O-N 2.81Å; Y12-P33 WeakPolarHBondContact O-CD 3.2Å; Y12-R78 HydrophobicContact CD1-CG 4.18Å; Y12-R78 HydrophobicContact CG-CG 4.02Å; Y12-D80 HydrophobicContact CE1-CB 4.4Å
13W93.6Very high93Very high44 Ų4456.8 Ų56.817%0.16734%0.344CS..EExtended strand (participates in β ladder)trans-68.1133.2171.9-72.889.2000110.8Q30 Y32 D37 W79W13-Q30 HydrophobicContact CD2-CG 4.22Å; W13-Q30 HydrophobicContact CE3-CB 3.94Å; W13-Q30 HydrophobicContact CE3-CG 3.39Å; W13-Q30 HydrophobicContact CZ3-CG 3.73Å; W13-Y32 AromaticContact CD1-CD2 3.83Å; W13-Y32 HydrophobicContact CD2-CD2 4Å; W13-Y32 HydrophobicContact CD2-CG 4.3Å; W13-Y32 AromaticContact CE2-CD2 3.9Å; W13-Y32 AromaticContact CG-CD2 3.98Å; W13-Y32 HydrophobicContact CG-CD2 3.98Å; W13-Y32 HydrophobicContact CZ2-CG 4.29Å; W13-Y32 AromaticContact NE1-CD2 3.75Å; W13-D37 HydrophobicContact CH2-CB 3.97Å; W13-D37 WeakPolarHBondContact CH2-OD2 3.43Å; W13-D37 WeakPolarHBondContact CZ3-O 3.33Å; W13-W79 HydrophobicContact CB-CB 4.13Å; W13-W79 PolarHBondContact O-N 2.87Å
14M95.3Very high92.9Very high5 Ų552 Ų523%0.02534%0.339CS..EExtended strand (participates in β ladder)trans-99.1115.3170.6-174.160.264.900109.4Y7 F9 Y12 Q30 I31 A59 C76Y7-M14 VanDerWaalsContact OH-CE 3.26Å; Y7-M14 WeakPolarHBondContact OH-CE 3.13Å; F9-M14 HydrophobicContact CE2-CE 4.09Å; Y12-M14 PolarHBondContact O-N 2.81Å; M14-Q30 CarbonylContact O-C 3.42Å; M14-Q30 WeakPolarHBondContact O-CA 3.41Å; M14-Q30 WeakPolarHBondContact O-CB 3.46Å; M14-I31 HydrophobicContact CB-CG2 4.14Å; M14-I31 PolarHBondContact N-O 2.95Å; M14-I31 PolarHBondContact O-N 2.84Å; M14-A59 HydrophobicContact CB-CB 4.15Å; M14-A59 HydrophobicContact CG-CB 3.7Å; M14-C76 HydrophobicContact SD-CB 3.82Å
15N95.9Very high93Very high4 Ų456.1 Ų56.12%0.02136%0.358CS..EExtended strand (participates in β ladder)trans-96.6147.1-178.5-76.2-100.4000110.9W27 Q30 C76 A77 W79 M86N15-W27 PolarHBondContact OD1-NE1 2.95Å; N15-Q30 HydrophobicContact CB-CB 4.46Å; N15-Q30 PolarHBondContact ND2-OE1 3.14Å; N15-Q30 WeakPolarHBondContact OD1-CB 3.45Å; N15-Q30 PolarHBondContact OD1-OE1 3.36Å; N15-C76 CarbonylContact O-C 3.41Å; N15-C76 WeakPolarHBondContact O-CA 3.37Å; N15-A77 HydrophobicContact CB-CB 4.41Å; N15-A77 WeakPolarHBondContact CB-O 3.35Å; N15-A77 PolarHBondContact N-O 3.07Å; N15-A77 PolarHBondContact O-N 2.87Å; N15-W79 WeakPolarHBondContact ND2-CB 3.42Å; N15-M86 HydrophobicContact CB-CE 3.84Å
16W97.2Very high93.3Very high13 Ų1353.9 Ų53.95%0.04934%0.339CS..EExtended strand (participates in β ladder)trans-118.9133.3172.8-67.891.2000110C2 I28 G29 L50 A59 M61 Y75 C76C2-W16 HydrophobicContact CB-CH2 3.75Å; C2-W16 HydrophobicContact CB-CZ2 3.93Å; W16-I28 HydrophobicContact CB-CB 4.14Å; W16-I28 HydrophobicContact CB-CD1 4.39Å; W16-I28 WeakPolarHBondContact O-CB 3.49Å; W16-I28 PolarHBondContact O-N 3.15Å; W16-G29 PolarHBondContact N-O 3.17Å; W16-L50 VanDerWaalsContact CD1-CD2 3.49Å; W16-L50 HydrophobicContact CG-CD2 4.09Å; W16-A59 HydrophobicContact CZ2-CB 4.42Å; W16-M61 HydrophobicContact CB-SD 3.81Å; W16-M61 HydrophobicContact CD2-CB 3.63Å; W16-M61 HydrophobicContact CD2-CE 4.16Å; W16-M61 HydrophobicContact CD2-CG 4.38Å; W16-M61 HydrophobicContact CD2-SD 3.96Å; W16-M61 HydrophobicContact CE3-CB 3.92Å; W16-M61 HydrophobicContact CE3-CE 3.59Å; W16-M61 HydrophobicContact CE3-SD 4.01Å; W16-M61 HydrophobicContact CG-CB 4.13Å; W16-M61 HydrophobicContact CG-SD 3.89Å; W16-M61 HydrophobicContact CH2-CB 4.11Å; W16-M61 HydrophobicContact CZ2-CB 3.84Å; W16-M61 HydrophobicContact CZ3-CB 4.15Å; W16-M61 HydrophobicContact CZ3-CE 4.1Å; W16-Y75 WeakPolarHBondContact CA-O 3.42Å; W16-C76 HydrophobicContact CD2-CB 4.42Å; W16-C76 HydrophobicContact CE3-CB 4.17Å; W16-C76 HydrophobicContact CH2-CB 4.24Å; W16-C76 HydrophobicContact CZ2-CB 4.46Å; W16-C76 HydrophobicContact CZ3-CB 4.08Å
17V96.7Very high93.7Very high4 Ų453.1 Ų53.12%0.02431%0.308CS..EExtended strand (participates in β ladder)trans-138.3138.7-174.5-175.80000108.7L25 E26 Y74 Y75 M86 W89V17-L25 HydrophobicContact CG1-CB 3.78Å; V17-L25 HydrophobicContact CG1-CD2 3.91Å; V17-L25 HydrophobicContact CG1-CG 4.32Å; V17-E26 WeakPolarHBondContact CA-O 3.28Å; V17-E26 WeakPolarHBondContact CG1-O 3.33Å; V17-Y74 CarbonylContact O-C 3.54Å; V17-Y74 WeakPolarHBondContact O-CA 3.48Å; V17-Y75 PolarHBondContact N-O 3.11Å; V17-Y75 PolarHBondContact O-N 2.92Å; V17-M86 HydrophobicContact CG2-CE 4.45Å; V17-M86 HydrophobicContact CG2-SD 4.42Å; V17-W89 HydrophobicContact CB-CH2 3.95Å; V17-W89 HydrophobicContact CB-CZ3 3.85Å; V17-W89 HydrophobicContact CG1-CH2 3.98Å; V17-W89 HydrophobicContact CG1-CZ3 4.12Å; V17-W89 HydrophobicContact CG2-CH2 3.71Å; V17-W89 HydrophobicContact CG2-CZ3 4.01Å
18K95.9Very high94.2Very high4 Ų450.8 Ų50.82%0.01730%0.299CS..EExtended strand (participates in β ladder)trans-110.3151.1169.573.8178.7-156.5-1710112E26 I28 F44 D70 A72 V73 Y74K18-E26 WeakPolarHBondContact CE-OE1 3.2Å; K18-E26 HydrophobicContact CG-CB 3.84Å; K18-E26 PolarHBondContact N-O 3.45Å; K18-E26 PolarHBondContact O-N 3.33Å; K18-I28 HydrophobicContact CB-CD1 4.1Å; K18-F44 HydrophobicContact CD-CE1 3.62Å; K18-F44 HydrophobicContact CD-CZ 3.6Å; K18-F44 VanDerWaalsContact CE-CZ 3.47Å; K18-F44 HydrophobicContact CG-CE1 4.43Å; K18-F44 HydrophobicContact CG-CZ 4.06Å; K18-D70 IonicContact NZ-OD1 3.75Å; K18-D70 PolarHBondContact NZ-OD1 3Å; K18-A72 HydrophobicContact CB-CB 4.19Å; K18-V73 CarbonylContact C-O 3.48Å; K18-V73 WeakPolarHBondContact CA-O 3.33Å; K18-Y74 HydrophobicContact CB-CD1 3.73Å; K18-Y74 HydrophobicContact CB-CE1 3.69Å; K18-Y74 HydrophobicContact CB-CG 4.36Å; K18-Y74 HydrophobicContact CD-CE1 4.16Å
19Q96.8Very high94.5Very high69 Ų6948.2 Ų48.232%0.32228%0.277SS..EExtended strand (participates in β ladder)trans-133.7118.5174-165.9-178.723.200110L25 A72 V73 Y75Q19-L25 HydrophobicContact CB-CD2 3.9Å; Q19-L25 HydrophobicContact CG-CD2 4.02Å; Q19-A72 WeakPolarHBondContact O-CA 3.39Å; Q19-A72 WeakPolarHBondContact O-CB 2.98Å; Q19-V73 PolarHBondContact N-O 3.49Å; Q19-V73 PolarHBondContact O-N 2.87Å; Q19-Y75 HydrophobicContact CB-CE2 3.74Å; Q19-Y75 PolarHBondContact OE1-OH 3.2Å
20R95.6Very high94.7Very high67 Ų6749.4 Ų49.425%0.25328%0.283SS..  trans-85.5151.2171.1-65.4176.8178.2134.7-20110.2G22 K23 E26 E69 A72R20-G22 PolarHBondContact O-N 3.43Å; R20-K23 HydrophobicContact CB-CB 3.97Å; R20-K23 HydrophobicContact CB-CG 3.9Å; R20-K23 PolarHBondContact O-N 3.4Å; R20-E26 IonicContact CZ-OE1 2.78Å; R20-E26 IonicContact NE-OE1 3.28Å; R20-E26 IonicContact NH1-OE1 3.99Å; R20-E26 PolarHBondContact NH1-OE1 2.87Å; R20-E26 IonicContact NH1-OE2 3.61Å; R20-E69 VanDerWaalsContact CZ-O 3.25Å; R20-E69 PolarHBondContact NE-O 3.06Å; R20-E69 PolarHBondContact NH2-O 2.83Å; R20-A72 HydrophobicContact CG-CB 4.09Å
21P92.4Very high94.9Very high120 Ų12046.7 Ų46.778%0.77926%0.264SS*.THydrogen-bonded Turntrans-52.4127.3173.8-26.134.9000111.7K23P21-K23 PolarHBondContact O-N 2.98Å
22G93.7Very high95.2Very high89 Ų8946.7 Ų46.792%0.91826%0.255SS*.THydrogen-bonded Turntrans68.412.4-179.500000115.5R20R20-G22 PolarHBondContact O-N 3.43Å
23K94Very high95.5Very high140 Ų14043.7 Ų43.761%0.60924%0.243SC*.SBendtrans-118.6160.5175.9-57.2-63-177.9-176.50111.3R20 P21R20-K23 HydrophobicContact CB-CB 3.97Å; R20-K23 HydrophobicContact CB-CG 3.9Å; R20-K23 PolarHBondContact O-N 3.4Å; P21-K23 PolarHBondContact O-N 2.98Å
24G93.1Very high95.5Very high54 Ų5443 Ų4356%0.55725%0.25SC*.  trans-68.5173.1173.200000113
25L94.3Very high95.5Very high97 Ų9748.2 Ų48.251%0.50828%0.278SS..EExtended strand (participates in β ladder)trans-69.5132.8173.7-65.3173.7000110.5V17 Q19 W89V17-L25 HydrophobicContact CG1-CB 3.78Å; V17-L25 HydrophobicContact CG1-CD2 3.91Å; V17-L25 HydrophobicContact CG1-CG 4.32Å; Q19-L25 HydrophobicContact CB-CD2 3.9Å; Q19-L25 HydrophobicContact CG-CD2 4.02Å; L25-W89 HydrophobicContact CD1-CH2 3.87Å; L25-W89 HydrophobicContact CD1-CZ2 4.37Å
26E95.6Very high95.5Very high38 Ų3849.4 Ų49.418%0.17829%0.291CS..EExtended strand (participates in β ladder)trans-114.6111.6174.9-64-175.3-106.400109.1V17 K18 R20 I28 F44V17-E26 WeakPolarHBondContact CA-O 3.28Å; V17-E26 WeakPolarHBondContact CG1-O 3.33Å; K18-E26 WeakPolarHBondContact CE-OE1 3.2Å; K18-E26 HydrophobicContact CG-CB 3.84Å; K18-E26 PolarHBondContact N-O 3.45Å; K18-E26 PolarHBondContact O-N 3.33Å; R20-E26 IonicContact CZ-OE1 2.78Å; R20-E26 IonicContact NE-OE1 3.28Å; R20-E26 IonicContact NH1-OE1 3.99Å; R20-E26 PolarHBondContact NH1-OE1 2.87Å; R20-E26 IonicContact NH1-OE2 3.61Å; E26-I28 PolarHBondContact O-N 3.07Å; E26-F44 HydrophobicContact CB-CZ 4.43Å
27W95.8Very high95.5Very high74 Ų7453.1 Ų53.128%0.2831%0.312SS..EExtended strand (participates in β ladder)trans-69.1128.9175.6-178.577.6000110.8N15 G29 Q30 N39 N41N15-W27 PolarHBondContact OD1-NE1 2.95Å; W27-G29 VanDerWaalsContact CZ2-C 3.44Å; W27-G29 VanDerWaalsContact CZ2-CA 3.4Å; W27-G29 PolarHBondContact NE1-O 2.81Å; W27-Q30 HydrophobicContact CZ2-CB 4.07Å; W27-Q30 HydrophobicContact CZ2-CG 3.8Å; W27-N39 HydrophobicContact CH2-CB 4.27Å; W27-N41 HydrophobicContact CE3-CB 3.67Å; W27-N41 HydrophobicContact CZ3-CB 3.87Å; W27-N41 VanDerWaalsContact CZ3-N 3.28Å; W27-N41 WeakPolarHBondContact O-CB 3.44Å; W27-N41 PolarHBondContact O-ND2 2.79Å
28I97Very high95.5Very high0 Ų055.3 Ų55.30%033%0.325CS..EExtended strand (participates in β ladder)trans-92.8-49-178-62.8174.2000110.2W16 K18 E26 N41 F44 A48 M61 Y74W16-I28 HydrophobicContact CB-CB 4.14Å; W16-I28 HydrophobicContact CB-CD1 4.39Å; W16-I28 WeakPolarHBondContact O-CB 3.49Å; W16-I28 PolarHBondContact O-N 3.15Å; K18-I28 HydrophobicContact CB-CD1 4.1Å; E26-I28 PolarHBondContact O-N 3.07Å; I28-N41 WeakPolarHBondContact O-CB 3.45Å; I28-N41 PolarHBondContact O-N 3.28Å; I28-F44 HydrophobicContact CB-CD2 4.33Å; I28-F44 HydrophobicContact CB-CG 4.22Å; I28-F44 HydrophobicContact CG1-CD1 4.08Å; I28-F44 HydrophobicContact CG1-CD2 4.27Å; I28-F44 HydrophobicContact CG1-CE1 4Å; I28-F44 HydrophobicContact CG1-CE2 4.17Å; I28-F44 HydrophobicContact CG1-CG 4.2Å; I28-F44 HydrophobicContact CG1-CZ 4.02Å; I28-F44 HydrophobicContact CG2-CB 3.79Å; I28-F44 HydrophobicContact CG2-CD1 4.1Å; I28-F44 HydrophobicContact CG2-CD2 4.43Å; I28-F44 HydrophobicContact CG2-CG 3.85Å; I28-A48 HydrophobicContact CG2-CB 3.75Å; I28-M61 HydrophobicContact CD1-CE 4.12Å; I28-M61 HydrophobicContact CD1-SD 3.7Å; I28-M61 HydrophobicContact CG2-SD 4.01Å; I28-Y74 HydrophobicContact CD1-CD1 3.69Å; I28-Y74 HydrophobicContact CD1-CE1 3.72Å
29G96.8Very high95.5Very high0 Ų059.2 Ų59.20%035%0.347CS..EExtended strand (participates in β ladder)trans169177.3-172.200000111.4W16 W27 N39W16-G29 PolarHBondContact N-O 3.17Å; W27-G29 VanDerWaalsContact CZ2-C 3.44Å; W27-G29 VanDerWaalsContact CZ2-CA 3.4Å; W27-G29 PolarHBondContact NE1-O 2.81Å; G29-N39 CarbonylContact C-O 3.55Å; G29-N39 WeakPolarHBondContact CA-O 3.42Å
30Q96.4Very high95.5Very high35 Ų3558.6 Ų58.616%0.16434%0.342CS..EExtended strand (participates in β ladder)trans-143.4154.9175.265.7-174.2-19.200111.2W13 M14 N15 W27 T38 N39W13-Q30 HydrophobicContact CD2-CG 4.22Å; W13-Q30 HydrophobicContact CE3-CB 3.94Å; W13-Q30 HydrophobicContact CE3-CG 3.39Å; W13-Q30 HydrophobicContact CZ3-CG 3.73Å; M14-Q30 CarbonylContact O-C 3.42Å; M14-Q30 WeakPolarHBondContact O-CA 3.41Å; M14-Q30 WeakPolarHBondContact O-CB 3.46Å; N15-Q30 HydrophobicContact CB-CB 4.46Å; N15-Q30 PolarHBondContact ND2-OE1 3.14Å; N15-Q30 WeakPolarHBondContact OD1-CB 3.45Å; N15-Q30 PolarHBondContact OD1-OE1 3.36Å; W27-Q30 HydrophobicContact CZ2-CB 4.07Å; W27-Q30 HydrophobicContact CZ2-CG 3.8Å; Q30-T38 WeakPolarHBondContact O-CA 3.37Å; Q30-N39 HydrophobicContact CG-CB 4.13Å; Q30-N39 PolarHBondContact N-O 3.49Å; Q30-N39 PolarHBondContact O-N 3.28Å
31I97.1Very high95.5Very high3 Ų357.7 Ų57.72%0.01534%0.342CS..EExtended strand (participates in β ladder)trans-127.5135.7173.6-175.8164.8000109.3M14 P33 D37 T38 L50 V52 A59M14-I31 HydrophobicContact CB-CG2 4.14Å; M14-I31 PolarHBondContact N-O 2.95Å; M14-I31 PolarHBondContact O-N 2.84Å; I31-P33 WeakPolarHBondContact O-CD 3.31Å; I31-D37 CarbonylContact C-O 3.51Å; I31-D37 VanDerWaalsContact CA-O 3.27Å; I31-D37 WeakPolarHBondContact CA-O 3.19Å; I31-T38 HydrophobicContact CB-CG2 3.97Å; I31-T38 HydrophobicContact CD1-CG2 3.9Å; I31-T38 HydrophobicContact CG1-CG2 3.78Å; I31-L50 HydrophobicContact CB-CB 4.1Å; I31-L50 HydrophobicContact CB-CD1 4.38Å; I31-L50 HydrophobicContact CD1-CB 4.33Å; I31-L50 HydrophobicContact CG2-CB 4.39Å; I31-V52 HydrophobicContact CD1-CB 3.99Å; I31-V52 HydrophobicContact CD1-CG1 4.08Å; I31-A59 HydrophobicContact CG2-CB 4.37Å
32Y96.1Very high95.6Very high57 Ų5754.9 Ų54.922%0.22434%0.335CS..  trans-88.8111.8170-169.8-118.2000108.5S10 W13 G34 D35 G36 D37S10-Y32 PolarHBondContact O-OH 2.95Å; W13-Y32 AromaticContact CD1-CD2 3.83Å; W13-Y32 HydrophobicContact CD2-CD2 4Å; W13-Y32 HydrophobicContact CD2-CG 4.3Å; W13-Y32 AromaticContact CE2-CD2 3.9Å; W13-Y32 AromaticContact CG-CD2 3.98Å; W13-Y32 HydrophobicContact CG-CD2 3.98Å; W13-Y32 HydrophobicContact CZ2-CG 4.29Å; W13-Y32 AromaticContact NE1-CD2 3.75Å; Y32-G34 PolarHBondContact O-N 2.8Å; Y32-G34 VanDerWaalsContact O-N 3.15Å; Y32-D35 WeakPolarHBondContact CD1-OD1 3.23Å; Y32-G36 VanDerWaalsContact O-CA 3.24Å; Y32-G36 WeakPolarHBondContact O-CA 3.4Å; Y32-G36 PolarHBondContact O-N 3.48Å; Y32-D37 PolarHBondContact N-O 2.84Å
33P95.6Very high95.6Very high0 Ų057.9 Ų57.90%032%0.323CS..THydrogen-bonded Turntrans-62.3-23.6-176.2-29.141.2000114.1F9 Y12 I31 V52 Q54F9-P33 HydrophobicContact CD1-CB 3.84Å; F9-P33 HydrophobicContact CD1-CG 4.37Å; F9-P33 HydrophobicContact CD2-CB 4.29Å; F9-P33 HydrophobicContact CD2-CG 3.96Å; F9-P33 HydrophobicContact CE1-CB 3.66Å; F9-P33 HydrophobicContact CE1-CG 4.05Å; F9-P33 HydrophobicContact CE2-CB 4.1Å; F9-P33 HydrophobicContact CE2-CG 3.57Å; F9-P33 HydrophobicContact CG-CB 4.19Å; F9-P33 HydrophobicContact CG-CG 4.37Å; F9-P33 HydrophobicContact CZ-CB 3.79Å; F9-P33 HydrophobicContact CZ-CG 3.63Å; F9-P33 WeakPolarHBondContact O-CB 3.3Å; F9-P33 WeakPolarHBondContact O-CG 3.41Å; Y12-P33 WeakPolarHBondContact O-CD 3.2Å; I31-P33 WeakPolarHBondContact O-CD 3.31Å; P33-V52 HydrophobicContact CB-CG2 3.84Å; P33-V52 HydrophobicContact CG-CG2 4.42Å; P33-Q54 WeakPolarHBondContact O-CG 3.16Å; P33-Q54 PolarHBondContact O-NE2 3.44Å
34G95.1Very high95.5Very high29 Ų2951.6 Ų51.630%0.29930%0.295SS..THydrogen-bonded Turntrans-66.5-39.7-175.400000114.4S10 Y32 Q54S10-G34 WeakPolarHBondContact O-CA 3.48Å; Y32-G34 PolarHBondContact O-N 2.8Å; Y32-G34 VanDerWaalsContact O-N 3.15Å; G34-Q54 PolarHBondContact O-NE2 2.86Å; G34-Q54 VanDerWaalsContact O-NE2 3.11Å
35D95.1Very high95.4Very high115 Ų11556.7 Ų56.762%0.61530%0.302SS*.THydrogen-bonded Turntrans-129.6-5.4-178.85917.8000113.6Y32 D37Y32-D35 WeakPolarHBondContact CD1-OD1 3.23Å; D35-D37 VanDerWaalsContact OD1-CB 3.29Å; D35-D37 WeakPolarHBondContact OD1-CB 3.23Å; D35-D37 PolarHBondContact OD1-N 2.86Å
36G96Very high95.3Very high30 Ų3055.4 Ų55.431%0.30931%0.312SS..  trans80.811.3-17900000114.2Y32Y32-G36 VanDerWaalsContact O-CA 3.24Å; Y32-G36 WeakPolarHBondContact O-CA 3.4Å; Y32-G36 PolarHBondContact O-N 3.48Å
37D96.6Very high95.2Very high90 Ų9056.7 Ų56.748%0.48132%0.317SS..  trans-60.1141.8176.6-171.725.5000111W13 I31 Y32 D35W13-D37 HydrophobicContact CH2-CB 3.97Å; W13-D37 WeakPolarHBondContact CH2-OD2 3.43Å; W13-D37 WeakPolarHBondContact CZ3-O 3.33Å; I31-D37 CarbonylContact C-O 3.51Å; I31-D37 VanDerWaalsContact CA-O 3.27Å; I31-D37 WeakPolarHBondContact CA-O 3.19Å; Y32-D37 PolarHBondContact N-O 2.84Å; D35-D37 VanDerWaalsContact OD1-CB 3.29Å; D35-D37 WeakPolarHBondContact OD1-CB 3.23Å; D35-D37 PolarHBondContact OD1-N 2.86Å
38T97.4Very high95.2Very high50 Ų5053.3 Ų53.331%0.30731%0.305SS..EExtended strand (participates in β ladder)trans-132.2140.8-174.554.80000112.2Q30 I31 Y40 L50Q30-T38 WeakPolarHBondContact O-CA 3.37Å; I31-T38 HydrophobicContact CB-CG2 3.97Å; I31-T38 HydrophobicContact CD1-CG2 3.9Å; I31-T38 HydrophobicContact CG1-CG2 3.78Å; T38-Y40 WeakPolarHBondContact OG1-CE2 3.48Å; T38-L50 HydrophobicContact CG2-CB 4.12Å
39N96.1Very high95.3Very high86 Ų8655.9 Ų55.946%0.4632%0.321SS..EExtended strand (participates in β ladder)trans-127.9141.9169.5-164.5-21.6000109.4W27 G29 Q30W27-N39 HydrophobicContact CH2-CB 4.27Å; G29-N39 CarbonylContact C-O 3.55Å; G29-N39 WeakPolarHBondContact CA-O 3.42Å; Q30-N39 HydrophobicContact CG-CB 4.13Å; Q30-N39 PolarHBondContact N-O 3.49Å; Q30-N39 PolarHBondContact O-N 3.28Å
40Y96.8Very high95.3Very high57 Ų5756.4 Ų56.422%0.22432%0.323CS..EExtended strand (participates in β ladder)trans-126.7144.3-175.9-65.9-90.9000110.5T38 A48 L50T38-Y40 WeakPolarHBondContact OG1-CE2 3.48Å; Y40-A48 HydrophobicContact CE1-CB 4.46Å; Y40-A48 VanDerWaalsContact CE1-O 3.26Å; Y40-A48 WeakPolarHBondContact CE1-O 3.48Å; Y40-L50 HydrophobicContact CE1-CD1 4.14Å; Y40-L50 HydrophobicContact CE1-CG 3.77Å; Y40-L50 PolarHBondContact OH-N 3.43Å
41N95.6Very high95.4Very high47 Ų4758 Ų5825%0.25134%0.336SS..  trans-68133157.8-177.7-27.1000108.8W27 I28 K43 F44 K45W27-N41 HydrophobicContact CE3-CB 3.67Å; W27-N41 HydrophobicContact CZ3-CB 3.87Å; W27-N41 VanDerWaalsContact CZ3-N 3.28Å; W27-N41 WeakPolarHBondContact O-CB 3.44Å; W27-N41 PolarHBondContact O-ND2 2.79Å; I28-N41 WeakPolarHBondContact O-CB 3.45Å; I28-N41 PolarHBondContact O-N 3.28Å; N41-K43 PolarHBondContact O-N 2.94Å; N41-K43 PolarHBondContact OD1-N 3.44Å; N41-K43 VanDerWaalsContact OD1-N 3.11Å; N41-F44 HydrophobicContact CB-CD2 3.95Å; N41-F44 PolarHBondContact O-N 3.27Å; N41-K45 PolarHBondContact O-N 3.43Å
42G94.5Very high95.4Very high61 Ų6159.9 Ų59.963%0.62935%0.347SS*.THydrogen-bonded Turntrans-52.4-31.6-178.700000114.1F44 K45G42-F44 PolarHBondContact O-N 2.9Å; G42-K45 PolarHBondContact O-N 3.04Å
43K91.9Very high95.5Very high153 Ų15359.9 Ų59.967%0.66535%0.351SS*.THydrogen-bonded Turntrans-64.1-24.3176.6-67.5-176.5179.8179.40114.3N41N41-K43 PolarHBondContact O-N 2.94Å; N41-K43 PolarHBondContact OD1-N 3.44Å; N41-K43 VanDerWaalsContact OD1-N 3.11Å
44F93.5Very high95.4Very high7 Ų765 Ų653%0.03138%0.375CS..THydrogen-bonded Turntrans-112.1-5.7-175.1-62.9-84.3000113.1K18 E26 I28 N41 G42 G46 K47 A48K18-F44 HydrophobicContact CD-CE1 3.62Å; K18-F44 HydrophobicContact CD-CZ 3.6Å; K18-F44 VanDerWaalsContact CE-CZ 3.47Å; K18-F44 HydrophobicContact CG-CE1 4.43Å; K18-F44 HydrophobicContact CG-CZ 4.06Å; E26-F44 HydrophobicContact CB-CZ 4.43Å; I28-F44 HydrophobicContact CB-CD2 4.33Å; I28-F44 HydrophobicContact CB-CG 4.22Å; I28-F44 HydrophobicContact CG1-CD1 4.08Å; I28-F44 HydrophobicContact CG1-CD2 4.27Å; I28-F44 HydrophobicContact CG1-CE1 4Å; I28-F44 HydrophobicContact CG1-CE2 4.17Å; I28-F44 HydrophobicContact CG1-CG 4.2Å; I28-F44 HydrophobicContact CG1-CZ 4.02Å; I28-F44 HydrophobicContact CG2-CB 3.79Å; I28-F44 HydrophobicContact CG2-CD1 4.1Å; I28-F44 HydrophobicContact CG2-CD2 4.43Å; I28-F44 HydrophobicContact CG2-CG 3.85Å; N41-F44 HydrophobicContact CB-CD2 3.95Å; N41-F44 PolarHBondContact O-N 3.27Å; G42-F44 PolarHBondContact O-N 2.9Å; F44-G46 PolarHBondContact O-N 2.89Å; F44-K47 PolarHBondContact O-N 3.28Å; F44-A48 PolarHBondContact O-N 3.18Å
45K91Very high95.4Very high161 Ų16168.8 Ų68.870%0.740%0.397SS*.BIsolated β-bridgetrans-59122.6174.1-166.5171.9-175.2175.50109.1N41 G42 K47N41-K45 PolarHBondContact O-N 3.43Å; G42-K45 PolarHBondContact O-N 3.04Å; K45-K47 VanDerWaalsContact C-N 3.3Å; K45-K47 PolarHBondContact O-N 2.83Å
46G90.6Very high95.4Very high70 Ų7065 Ų6572%0.72238%0.379SS*.THydrogen-bonded Turntrans86.4-18.2-175.400000115.4F44F44-G46 PolarHBondContact O-N 2.89Å
47K94.1Very high95.4Very high66 Ų6665.5 Ų65.529%0.28738%0.378SS..THydrogen-bonded Turntrans-88.7-39.1170.5-77.7-166.4168.1-160.10112.5F44 K45 L63 N64 D70F44-K47 PolarHBondContact O-N 3.28Å; K45-K47 VanDerWaalsContact C-N 3.3Å; K45-K47 PolarHBondContact O-N 2.83Å; K47-L63 WeakPolarHBondContact O-CA 3.17Å; K47-N64 PolarHBondContact O-N 3.37Å; K47-D70 IonicContact NZ-OD1 3.49Å; K47-D70 PolarHBondContact NZ-OD1 3.21Å; K47-D70 IonicContact NZ-OD2 2.83Å; K47-D70 PolarHBondContact NZ-OD2 3Å
48A96.6Very high95.5Very high3 Ų361.7 Ų61.73%0.02536%0.358CS..EExtended strand (participates in β ladder)trans-108.8138.9179.900000110.7I28 Y40 F44 M61 Q62 L63I28-A48 HydrophobicContact CG2-CB 3.75Å; Y40-A48 HydrophobicContact CE1-CB 4.46Å; Y40-A48 VanDerWaalsContact CE1-O 3.26Å; Y40-A48 WeakPolarHBondContact CE1-O 3.48Å; F44-A48 PolarHBondContact O-N 3.18Å; A48-M61 HydrophobicContact CB-CG 4.35Å; A48-M61 HydrophobicContact CB-SD 4.49Å; A48-Q62 CarbonylContact C-O 3.57Å; A48-Q62 WeakPolarHBondContact CA-O 3.34Å; A48-L63 HydrophobicContact CB-CD2 3.99Å
49T97.8Very high95.4Very high54 Ų5459.3 Ų59.333%0.33134%0.344SS..EExtended strand (participates in β ladder)trans-119.3123.3167.5-57.50000108.2T51 M61 Q62T49-T51 HydrophobicContact CG2-CG2 4.23Å; T49-M61 WeakPolarHBondContact O-CA 3.12Å; T49-Q62 PolarHBondContact N-O 3.47Å; T49-Q62 PolarHBondContact O-N 2.83Å
50L98.1Very high95.5Very high10 Ų1059.3 Ų59.35%0.05234%0.338CS..EExtended strand (participates in β ladder)trans-99.8133.3177.6-52.8-175.7000110W16 I31 T38 Y40 Y60 M61W16-L50 VanDerWaalsContact CD1-CD2 3.49Å; W16-L50 HydrophobicContact CG-CD2 4.09Å; I31-L50 HydrophobicContact CB-CB 4.1Å; I31-L50 HydrophobicContact CB-CD1 4.38Å; I31-L50 HydrophobicContact CD1-CB 4.33Å; I31-L50 HydrophobicContact CG2-CB 4.39Å; T38-L50 HydrophobicContact CG2-CB 4.12Å; Y40-L50 HydrophobicContact CE1-CD1 4.14Å; Y40-L50 HydrophobicContact CE1-CG 3.77Å; Y40-L50 PolarHBondContact OH-N 3.43Å; L50-Y60 WeakPolarHBondContact CA-O 3.44Å; L50-M61 HydrophobicContact CD2-CB 3.7Å; L50-M61 HydrophobicContact CD2-CG 3.66Å; L50-M61 HydrophobicContact CD2-SD 4.28Å
51T98.1Very high95.6Very high70 Ų7058 Ų5843%0.42933%0.334SS..EExtended strand (participates in β ladder)trans-139.8167.417664.60000110.9T49 Y60T49-T51 HydrophobicContact CG2-CG2 4.23Å; T51-Y60 PolarHBondContact N-O 3.24Å; T51-Y60 PolarHBondContact O-N 2.61Å; T51-Y60 WeakPolarHBondContact OG1-CB 3.26Å
52V97.7Very high95.7Very high41 Ų4161.3 Ų61.325%0.24835%0.348CS..EExtended strand (participates in β ladder)trans-139.6142.3-178.666.70000111.4F9 I31 P33F9-V52 HydrophobicContact CD1-CG2 4.44Å; F9-V52 HydrophobicContact CE1-CG2 3.28Å; F9-V52 HydrophobicContact CZ-CG2 3.53Å; I31-V52 HydrophobicContact CD1-CB 3.99Å; I31-V52 HydrophobicContact CD1-CG1 4.08Å; P33-V52 HydrophobicContact CB-CG2 3.84Å; P33-V52 HydrophobicContact CG-CG2 4.42Å
53D96.8Very high95.7Very high57 Ų5760.2 Ų60.231%0.30533%0.328SS..EExtended strand (participates in β ladder)trans-116.7105.2164.7174.510.2000108.3S55 S56 S57 T58 Y60D53-S55 VanDerWaalsContact C-N 3.29Å; D53-S55 PolarHBondContact O-N 3.37Å; D53-S55 WeakPolarHBondContact OD1-CB 3.03Å; D53-S55 PolarHBondContact OD1-N 2.87Å; D53-S55 PolarHBondContact OD1-OG 2.73Å; D53-S55 PolarHBondContact OD2-OG 3.03Å; D53-S56 PolarHBondContact OD1-N 3Å; D53-S56 VanDerWaalsContact OD2-CB 3.26Å; D53-S56 WeakPolarHBondContact OD2-CB 3.33Å; D53-S56 PolarHBondContact OD2-OG 2.81Å; D53-S57 PolarHBondContact O-N 2.85Å; D53-S57 VanDerWaalsContact O-N 3.14Å; D53-T58 PolarHBondContact N-O 3.47Å; D53-T58 PolarHBondContact O-N 2.92Å; D53-Y60 HydrophobicContact CB-CE2 3.87Å
54Q94.5Very high95.8Very high107 Ų10755.8 Ų55.850%0.531%0.311SS..THydrogen-bonded Turntrans-66.6-32.8179.7-66.6-177.82.200111.8P33 G34 S56 S57P33-Q54 WeakPolarHBondContact O-CG 3.16Å; P33-Q54 PolarHBondContact O-NE2 3.44Å; G34-Q54 PolarHBondContact O-NE2 2.86Å; G34-Q54 VanDerWaalsContact O-NE2 3.11Å; Q54-S56 VanDerWaalsContact C-N 3.32Å; Q54-S56 PolarHBondContact O-N 2.85Å; Q54-S57 PolarHBondContact O-N 3.21Å; Q54-S57 VanDerWaalsContact O-N 3.13Å
55S94.4Very high95.6Very high109 Ų10960.8 Ų60.876%0.76235%0.347SS*.THydrogen-bonded Turntrans-65.2-37.1-176.274.90000112.1D53D53-S55 VanDerWaalsContact C-N 3.29Å; D53-S55 PolarHBondContact O-N 3.37Å; D53-S55 WeakPolarHBondContact OD1-CB 3.03Å; D53-S55 PolarHBondContact OD1-N 2.87Å; D53-S55 PolarHBondContact OD1-OG 2.73Å; D53-S55 PolarHBondContact OD2-OG 3.03Å
56S96Very high95.7Very high35 Ų3556 Ų5625%0.24533%0.329CS..THydrogen-bonded Turntrans-96.21.8175.967.50000113.7K3 D53 Q54 T58K3-S56 WeakPolarHBondContact CE-O 3.41Å; D53-S56 PolarHBondContact OD1-N 3Å; D53-S56 VanDerWaalsContact OD2-CB 3.26Å; D53-S56 WeakPolarHBondContact OD2-CB 3.33Å; D53-S56 PolarHBondContact OD2-OG 2.81Å; Q54-S56 VanDerWaalsContact C-N 3.32Å; Q54-S56 PolarHBondContact O-N 2.85Å; S56-T58 PolarHBondContact O-N 2.82Å; S56-T58 PolarHBondContact O-OG1 2.94Å; S56-T58 WeakPolarHBondContact OG-CB 3.34Å; S56-T58 PolarHBondContact OG-OG1 2.77Å
57S95.9Very high95.8Very high42 Ų4255.7 Ų55.729%0.29431%0.313SS..THydrogen-bonded Turntrans50.543.7-173.3-620000113A4 F9 D53 Q54A4-S57 PolarHBondContact N-O 2.99Å; F9-S57 VanDerWaalsContact CE1-C 3.44Å; D53-S57 PolarHBondContact O-N 2.85Å; D53-S57 VanDerWaalsContact O-N 3.14Å; Q54-S57 PolarHBondContact O-N 3.21Å; Q54-S57 VanDerWaalsContact O-N 3.13Å
58T97.1Very high95.7Very high10 Ų1056 Ų566%0.06132%0.324CS..EExtended strand (participates in β ladder)trans-124.2128-173.6-55.80000111.4C2 K3 D53 S56 Y60C2-T58 WeakPolarHBondContact O-CA 3.26Å; K3-T58 HydrophobicContact CB-CG2 4.45Å; D53-T58 PolarHBondContact N-O 3.47Å; D53-T58 PolarHBondContact O-N 2.92Å; S56-T58 PolarHBondContact O-N 2.82Å; S56-T58 PolarHBondContact O-OG1 2.94Å; S56-T58 WeakPolarHBondContact OG-CB 3.34Å; S56-T58 PolarHBondContact OG-OG1 2.77Å; T58-Y60 HydrophobicContact CG2-CD1 4.45Å; T58-Y60 HydrophobicContact CG2-CD2 4.28Å; T58-Y60 HydrophobicContact CG2-CE1 3.82Å; T58-Y60 HydrophobicContact CG2-CE2 3.64Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.47Å; T58-Y60 WeakPolarHBondContact O-CE2 3.46Å
59A97.3Very high95.4Very high0 Ų062.3 Ų62.30%035%0.353CS..EExtended strand (participates in β ladder)trans-94149.8168.200000110.4S1 C2 F9 M14 W16 I31S1-A59 CarbonylContact C-O 3.44Å; S1-A59 VanDerWaalsContact CA-O 3.3Å; S1-A59 WeakPolarHBondContact CA-O 3.28Å; C2-A59 PolarHBondContact N-O 3.23Å; C2-A59 PolarHBondContact O-N 2.85Å; F9-A59 HydrophobicContact CE2-CB 4.34Å; F9-A59 HydrophobicContact CZ-CB 3.97Å; M14-A59 HydrophobicContact CB-CB 4.15Å; M14-A59 HydrophobicContact CG-CB 3.7Å; W16-A59 HydrophobicContact CZ2-CB 4.42Å; I31-A59 HydrophobicContact CG2-CB 4.37Å
60Y98.1Very high95.2Very high85 Ų8560 Ų6033%0.33334%0.338SS..EExtended strand (participates in β ladder)trans-129.1147.2179.5-57.4-95.8000110.1S1 L50 T51 D53 T58S1-Y60 VanDerWaalsContact CB-CD1 3.42Å; S1-Y60 VanDerWaalsContact CB-CE1 3.46Å; L50-Y60 WeakPolarHBondContact CA-O 3.44Å; T51-Y60 PolarHBondContact N-O 3.24Å; T51-Y60 PolarHBondContact O-N 2.61Å; T51-Y60 WeakPolarHBondContact OG1-CB 3.26Å; D53-Y60 HydrophobicContact CB-CE2 3.87Å; T58-Y60 HydrophobicContact CG2-CD1 4.45Å; T58-Y60 HydrophobicContact CG2-CD2 4.28Å; T58-Y60 HydrophobicContact CG2-CE1 3.82Å; T58-Y60 HydrophobicContact CG2-CE2 3.64Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.47Å; T58-Y60 WeakPolarHBondContact O-CE2 3.46Å
61M97.9Very high95.1Very high29 Ų2961 Ų6114%0.14335%0.346CS..EExtended strand (participates in β ladder)trans-126.8119.5166.4175.517968.100106.5W16 I28 A48 T49 L50 L63 Y74W16-M61 HydrophobicContact CB-SD 3.81Å; W16-M61 HydrophobicContact CD2-CB 3.63Å; W16-M61 HydrophobicContact CD2-CE 4.16Å; W16-M61 HydrophobicContact CD2-CG 4.38Å; W16-M61 HydrophobicContact CD2-SD 3.96Å; W16-M61 HydrophobicContact CE3-CB 3.92Å; W16-M61 HydrophobicContact CE3-CE 3.59Å; W16-M61 HydrophobicContact CE3-SD 4.01Å; W16-M61 HydrophobicContact CG-CB 4.13Å; W16-M61 HydrophobicContact CG-SD 3.89Å; W16-M61 HydrophobicContact CH2-CB 4.11Å; W16-M61 HydrophobicContact CZ2-CB 3.84Å; W16-M61 HydrophobicContact CZ3-CB 4.15Å; W16-M61 HydrophobicContact CZ3-CE 4.1Å; I28-M61 HydrophobicContact CD1-CE 4.12Å; I28-M61 HydrophobicContact CD1-SD 3.7Å; I28-M61 HydrophobicContact CG2-SD 4.01Å; A48-M61 HydrophobicContact CB-CG 4.35Å; A48-M61 HydrophobicContact CB-SD 4.49Å; T49-M61 WeakPolarHBondContact O-CA 3.12Å; L50-M61 HydrophobicContact CD2-CB 3.7Å; L50-M61 HydrophobicContact CD2-CG 3.66Å; L50-M61 HydrophobicContact CD2-SD 4.28Å; M61-L63 HydrophobicContact CE-CD1 4Å; M61-L63 HydrophobicContact CE-CD2 4.21Å; M61-L63 HydrophobicContact CE-CG 4.11Å; M61-L63 HydrophobicContact CG-CD2 4.21Å; M61-L63 HydrophobicContact CG-CG 4.32Å; M61-L63 HydrophobicContact SD-CD2 4Å; M61-L63 HydrophobicContact SD-CG 4.43Å; M61-Y74 HydrophobicContact CE-CD1 3.63Å; M61-Y74 HydrophobicContact CE-CE1 4.21Å; M61-Y74 HydrophobicContact CE-CG 4.32Å
62Q97.4Very high95Very high118 Ų11858 Ų5855%0.55133%0.328SS*.EExtended strand (participates in β ladder)trans-96.4128.9168.9-175.517716.800108.1A48 T49A48-Q62 CarbonylContact C-O 3.57Å; A48-Q62 WeakPolarHBondContact CA-O 3.34Å; T49-Q62 PolarHBondContact N-O 3.47Å; T49-Q62 PolarHBondContact O-N 2.83Å
63L95.6Very high95Very high38 Ų3858.2 Ų58.220%0.19933%0.33CS..EExtended strand (participates in β ladder)trans-107.1129.5174.5-65.5169.6000108.8K47 A48 M61 L66 Y74K47-L63 WeakPolarHBondContact O-CA 3.17Å; A48-L63 HydrophobicContact CB-CD2 3.99Å; M61-L63 HydrophobicContact CE-CD1 4Å; M61-L63 HydrophobicContact CE-CD2 4.21Å; M61-L63 HydrophobicContact CE-CG 4.11Å; M61-L63 HydrophobicContact CG-CD2 4.21Å; M61-L63 HydrophobicContact CG-CG 4.32Å; M61-L63 HydrophobicContact SD-CD2 4Å; M61-L63 HydrophobicContact SD-CG 4.43Å; L63-L66 HydrophobicContact CB-CD1 4.04Å; L63-L66 HydrophobicContact CB-CD2 3.83Å; L63-L66 HydrophobicContact CB-CG 4.04Å; L63-L66 HydrophobicContact CD1-CD2 4.17Å; L63-L66 HydrophobicContact CG-CD2 4.48Å; L63-Y74 HydrophobicContact CD1-CD1 4.19Å; L63-Y74 HydrophobicContact CD1-CE1 3.6Å; L63-Y74 HydrophobicContact CD1-CE2 4.33Å; L63-Y74 HydrophobicContact CD2-CE1 4.45Å
64N92.9Very high95.1Very high59 Ų5956 Ų5632%0.31632%0.317SS..  trans-116.6152.2-178.8-61.8-49000110.6K47 L66K47-N64 PolarHBondContact O-N 3.37Å; N64-L66 VanDerWaalsContact C-N 3.28Å; N64-L66 PolarHBondContact O-N 2.93Å
65S90.3Very high95.2Very high113 Ų11353 Ų5379%0.7930%0.301SS*.SBendtrans5244.6175.1-55.90000113.6
66L91.6Very high95.2Very high61 Ų6148.5 Ų48.532%0.31927%0.27SS..  trans-65.3140.2-179.4-72.5176.1000111.8L63 N64 D70 V95 V97L63-L66 HydrophobicContact CB-CD1 4.04Å; L63-L66 HydrophobicContact CB-CD2 3.83Å; L63-L66 HydrophobicContact CB-CG 4.04Å; L63-L66 HydrophobicContact CD1-CD2 4.17Å; L63-L66 HydrophobicContact CG-CD2 4.48Å; N64-L66 VanDerWaalsContact C-N 3.28Å; N64-L66 PolarHBondContact O-N 2.93Å; L66-D70 HydrophobicContact CD2-CB 3.57Å; L66-V95 HydrophobicContact CD1-CG1 4.39Å; L66-V97 HydrophobicContact CB-CG1 4.24Å; L66-V97 HydrophobicContact CB-CG2 3.93Å; L66-V97 HydrophobicContact CD1-CG2 4.07Å
67T92.8Very high95.1Very high63 Ų6346.9 Ų46.939%0.38726%0.259SS..  trans-115.1171.9170.969.30000110.6E69 D70 V97T67-E69 PolarHBondContact O-N 3.48Å; T67-E69 VanDerWaalsContact O-N 3.15Å; T67-D70 PolarHBondContact N-OD2 2.87Å; T67-D70 WeakPolarHBondContact O-CB 2.98Å; T67-D70 PolarHBondContact O-N 2.97Å; T67-V97 WeakPolarHBondContact O-CB 3.26Å
68S92.5Very high94.9Very high72 Ų7247.1 Ų47.150%0.50325%0.253SS..G310 helixtrans-56.2-30.6177540000113.3D70 S71 V97S68-D70 PolarHBondContact O-N 2.95Å; S68-S71 WeakPolarHBondContact O-CB 3.43Å; S68-S71 PolarHBondContact O-N 3.26Å; S68-S71 VanDerWaalsContact O-N 3.14Å; S68-S71 PolarHBondContact O-OG 2.02Å; S68-V97 WeakPolarHBondContact CA-O 3.38Å
69E90.1Very high94.3Very high136 Ų13650 Ų5064%0.63626%0.263SS*.G310 helixtrans-67.8-16.3176.1-61-173.9172.500114.2R20 T67 S71R20-E69 VanDerWaalsContact CZ-O 3.25Å; R20-E69 PolarHBondContact NE-O 3.06Å; R20-E69 PolarHBondContact NH2-O 2.83Å; T67-E69 PolarHBondContact O-N 3.48Å; T67-E69 VanDerWaalsContact O-N 3.15Å; E69-S71 VanDerWaalsContact C-N 3.29Å
70D93.4Very high93.2Very high5 Ų551.1 Ų51.13%0.02727%0.269CS..G310 helixtrans-85.9-3.1175.8-68.5-47.9000112.1K18 K47 L66 T67 S68 A72 Y74K18-D70 IonicContact NZ-OD1 3.75Å; K18-D70 PolarHBondContact NZ-OD1 3Å; K47-D70 IonicContact NZ-OD1 3.49Å; K47-D70 PolarHBondContact NZ-OD1 3.21Å; K47-D70 IonicContact NZ-OD2 2.83Å; K47-D70 PolarHBondContact NZ-OD2 3Å; L66-D70 HydrophobicContact CD2-CB 3.57Å; T67-D70 PolarHBondContact N-OD2 2.87Å; T67-D70 WeakPolarHBondContact O-CB 2.98Å; T67-D70 PolarHBondContact O-N 2.97Å; S68-D70 PolarHBondContact O-N 2.95Å; D70-A72 PolarHBondContact O-N 3.18Å; D70-A72 VanDerWaalsContact O-N 3.17Å; D70-Y74 PolarHBondContact O-OH 2.85Å
71S95.8Very high91.9Very high32 Ų3251.3 Ų51.322%0.22428%0.275CS..  trans-60.4118.6173.1-57.60000111.4S68 E69 V95 V97S68-S71 WeakPolarHBondContact O-CB 3.43Å; S68-S71 PolarHBondContact O-N 3.26Å; S68-S71 VanDerWaalsContact O-N 3.14Å; S68-S71 PolarHBondContact O-OG 2.02Å; E69-S71 VanDerWaalsContact C-N 3.29Å; S71-V95 VanDerWaalsContact CA-O 3.28Å; S71-V95 WeakPolarHBondContact CA-O 3.48Å; S71-V97 PolarHBondContact OG-N 3.14Å; S71-V97 PolarHBondContact OG-O 2.58Å
72A97.2Very high90.7Very high6 Ų653.9 Ų53.95%0.0530%0.301CS..EExtended strand (participates in β ladder)trans-166.9170.1-171.800000111.3K18 Q19 R20 D70 Y74 V95K18-A72 HydrophobicContact CB-CB 4.19Å; Q19-A72 WeakPolarHBondContact O-CA 3.39Å; Q19-A72 WeakPolarHBondContact O-CB 2.98Å; R20-A72 HydrophobicContact CG-CB 4.09Å; D70-A72 PolarHBondContact O-N 3.18Å; D70-A72 VanDerWaalsContact O-N 3.17Å; A72-Y74 HydrophobicContact CB-CD2 4.28Å; A72-Y74 HydrophobicContact CB-CE2 3.83Å; A72-Y74 WeakPolarHBondContact O-CD2 3.33Å; A72-V95 PolarHBondContact N-O 2.97Å; A72-V95 PolarHBondContact O-N 3.33Å
73V98.1Very high89.4Confident46 Ų4653.9 Ų53.928%0.27930%0.304SS..EExtended strand (participates in β ladder)trans-88.8128.7160.7-172.10000108.5K18 Q19 Y75 T93K18-V73 CarbonylContact C-O 3.48Å; K18-V73 WeakPolarHBondContact CA-O 3.33Å; Q19-V73 PolarHBondContact N-O 3.49Å; Q19-V73 PolarHBondContact O-N 2.87Å; V73-Y75 HydrophobicContact CB-CE2 3.85Å; V73-Y75 HydrophobicContact CG1-CD1 4.48Å; V73-Y75 HydrophobicContact CG1-CD2 4.35Å; V73-Y75 HydrophobicContact CG1-CE1 3.79Å; V73-Y75 HydrophobicContact CG1-CE2 3.65Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.4Å; V73-T93 WeakPolarHBondContact CA-O 2.88Å
74Y97.7Very high88.2Confident11 Ų1160.9 Ų60.94%0.04333%0.329CS..EExtended strand (participates in β ladder)trans-107.9131.6179.4-70.6-96.2000110.1V17 K18 I28 M61 L63 D70 A72 G92 T93 V95V17-Y74 CarbonylContact O-C 3.54Å; V17-Y74 WeakPolarHBondContact O-CA 3.48Å; K18-Y74 HydrophobicContact CB-CD1 3.73Å; K18-Y74 HydrophobicContact CB-CE1 3.69Å; K18-Y74 HydrophobicContact CB-CG 4.36Å; K18-Y74 HydrophobicContact CD-CE1 4.16Å; I28-Y74 HydrophobicContact CD1-CD1 3.69Å; I28-Y74 HydrophobicContact CD1-CE1 3.72Å; M61-Y74 HydrophobicContact CE-CD1 3.63Å; M61-Y74 HydrophobicContact CE-CE1 4.21Å; M61-Y74 HydrophobicContact CE-CG 4.32Å; L63-Y74 HydrophobicContact CD1-CD1 4.19Å; L63-Y74 HydrophobicContact CD1-CE1 3.6Å; L63-Y74 HydrophobicContact CD1-CE2 4.33Å; L63-Y74 HydrophobicContact CD2-CE1 4.45Å; D70-Y74 PolarHBondContact O-OH 2.85Å; A72-Y74 HydrophobicContact CB-CD2 4.28Å; A72-Y74 HydrophobicContact CB-CE2 3.83Å; A72-Y74 WeakPolarHBondContact O-CD2 3.33Å; Y74-G92 CarbonylContact O-C 3.47Å; Y74-G92 WeakPolarHBondContact O-CA 3.24Å; Y74-T93 PolarHBondContact N-O 3.04Å; Y74-T93 PolarHBondContact O-N 2.99Å; Y74-V95 HydrophobicContact CD2-CB 3.85Å; Y74-V95 HydrophobicContact CD2-CG2 3.68Å; Y74-V95 HydrophobicContact CE2-CB 3.74Å; Y74-V95 HydrophobicContact CE2-CG1 4.46Å; Y74-V95 HydrophobicContact CE2-CG2 4.01Å
75Y97Very high87.3Confident42 Ų4259.8 Ų59.817%0.16533%0.328CS..EExtended strand (participates in β ladder)trans-120149.1-177.9-54.6-91000110.1W16 V17 Q19 V73 W89W16-Y75 WeakPolarHBondContact CA-O 3.42Å; V17-Y75 PolarHBondContact N-O 3.11Å; V17-Y75 PolarHBondContact O-N 2.92Å; Q19-Y75 HydrophobicContact CB-CE2 3.74Å; Q19-Y75 PolarHBondContact OE1-OH 3.2Å; V73-Y75 HydrophobicContact CB-CE2 3.85Å; V73-Y75 HydrophobicContact CG1-CD1 4.48Å; V73-Y75 HydrophobicContact CG1-CD2 4.35Å; V73-Y75 HydrophobicContact CG1-CE1 3.79Å; V73-Y75 HydrophobicContact CG1-CE2 3.65Å; V73-Y75 WeakPolarHBondContact CG1-OH 3.4Å; Y75-W89 HydrophobicContact CD1-CE3 4.32Å; Y75-W89 HydrophobicContact CD2-CZ3 4.36Å; Y75-W89 AromaticContact CG-CE3 3.98Å; Y75-W89 HydrophobicContact CG-CE3 3.98Å; Y75-W89 HydrophobicContact CG-CZ3 4.06Å
76C95.5Very high86.7Confident16 Ų1657 Ų5711%0.10830%0.303CS..EExtended strand (participates in β ladder)trans-105145.2158.260.60000109.3C2 M14 N15 W16 G90C2-C76 HydrophobicContact CB-CB 3.4Å; C2-C76 VanDerWaalsContact CB-CB 3.4Å; C2-C76 WeakPolarHBondContact CB-SG 3.34Å; C2-C76 WeakPolarHBondContact SG-CB 3.27Å; C2-C76 CovalentContact SG-SG 2.02Å; C2-C76 PolarHBondContact SG-SG 2.83Å; M14-C76 HydrophobicContact SD-CB 3.82Å; N15-C76 CarbonylContact O-C 3.41Å; N15-C76 WeakPolarHBondContact O-CA 3.37Å; W16-C76 HydrophobicContact CD2-CB 4.42Å; W16-C76 HydrophobicContact CE3-CB 4.17Å; W16-C76 HydrophobicContact CH2-CB 4.24Å; W16-C76 HydrophobicContact CZ2-CB 4.46Å; W16-C76 HydrophobicContact CZ3-CB 4.08Å; C76-G90 PolarHBondContact O-N 3.39Å
77A93.6Very high86Confident1 Ų156.6 Ų56.61%0.00830%0.301CS..EExtended strand (participates in β ladder)trans-136.7136.9175.800000110.7N15 M86 Y88 W89N15-A77 HydrophobicContact CB-CB 4.41Å; N15-A77 WeakPolarHBondContact CB-O 3.35Å; N15-A77 PolarHBondContact N-O 3.07Å; N15-A77 PolarHBondContact O-N 2.87Å; A77-M86 HydrophobicContact CB-CB 4.25Å; A77-M86 HydrophobicContact CB-CG 4.28Å; A77-M86 HydrophobicContact CB-SD 3.94Å; A77-Y88 CarbonylContact C-O 3.6Å; A77-Y88 WeakPolarHBondContact CA-O 3.48Å; A77-W89 HydrophobicContact CB-CD2 3.72Å; A77-W89 HydrophobicContact CB-CE3 4.07Å; A77-W89 HydrophobicContact CB-CG 4.1Å; A77-W89 HydrophobicContact CB-CH2 4.43Å; A77-W89 HydrophobicContact CB-CZ2 4.13Å; A77-W89 HydrophobicContact CB-CZ3 4.41Å
78R91.6Very high85.4Confident47 Ų4759.7 Ų59.718%0.17731%0.307CS..EExtended strand (participates in β ladder)trans-73.1141.8166.4-177.218074.2-176.93.4108.5Y7 Y12 M86 D87 Y88Y7-R78 HydrophobicContact CE2-CG 4.33Å; Y12-R78 HydrophobicContact CD1-CG 4.18Å; Y12-R78 HydrophobicContact CG-CG 4.02Å; R78-M86 VanDerWaalsContact O-CA 3.3Å; R78-M86 WeakPolarHBondContact O-CA 3.45Å; R78-D87 VanDerWaalsContact C-OD1 3.24Å; R78-D87 VanDerWaalsContact CB-OD1 3.23Å; R78-D87 WeakPolarHBondContact CB-OD1 3.43Å; R78-D87 WeakPolarHBondContact CG-OD1 3.49Å; R78-D87 IonicContact CZ-OD1 3.91Å; R78-D87 IonicContact CZ-OD2 3.02Å; R78-D87 IonicContact NE-OD1 3.03Å; R78-D87 PolarHBondContact NE-OD1 2.81Å; R78-D87 IonicContact NE-OD2 2.73Å; R78-D87 PolarHBondContact NE-OD2 3.11Å; R78-D87 IonicContact NH2-OD1 3.95Å; R78-D87 IonicContact NH2-OD2 2.61Å; R78-D87 PolarHBondContact NH2-OD2 2.84Å; R78-D87 PolarHBondContact O-N 2.72Å; R78-Y88 PolarHBondContact N-O 3.13Å
79W84.6Confident85.3Confident70 Ų7060.1 Ų60.127%0.26530%0.297SS..EExtended strand (participates in β ladder)trans-112.6123.6169.4175.7-87000110W13 N15 Y84 M86W13-W79 HydrophobicContact CB-CB 4.13Å; W13-W79 PolarHBondContact O-N 2.87Å; N15-W79 WeakPolarHBondContact ND2-CB 3.42Å; W79-Y84 WeakPolarHBondContact CH2-O 3.3Å; W79-M86 HydrophobicContact CE3-CB 4.47Å; W79-M86 HydrophobicContact CE3-CE 4.29Å; W79-M86 HydrophobicContact CE3-CG 3.54Å; W79-M86 HydrophobicContact CZ3-CG 3.96Å
80D74.1Confident85.2Confident23 Ų2354.5 Ų54.512%0.12328%0.276CS..EExtended strand (participates in β ladder)trans-94.4114.6172.3-165-34000109.7Y12 A82 L83 Y84 A85 D87Y12-D80 HydrophobicContact CE1-CB 4.4Å; D80-A82 VanDerWaalsContact C-N 3.29Å; D80-A82 PolarHBondContact O-N 3.1Å; D80-A82 VanDerWaalsContact OD1-CB 3.31Å; D80-A82 WeakPolarHBondContact OD1-CB 3.44Å; D80-A82 PolarHBondContact OD1-N 3.44Å; D80-L83 HydrophobicContact CB-CB 4.25Å; D80-L83 HydrophobicContact CB-CD1 4.5Å; D80-L83 HydrophobicContact CB-CG 4.48Å; D80-L83 PolarHBondContact O-N 2.88Å; D80-Y84 PolarHBondContact O-N 3.23Å; D80-A85 PolarHBondContact N-O 3.15Å; D80-A85 PolarHBondContact O-N 2.75Å; D80-D87 HydrophobicContact CB-CB 4.41Å; D80-D87 WeakPolarHBondContact CB-OD2 3.38Å
81I71.3Confident85.2Confident89 Ų8962.9 Ų62.946%0.45632%0.315SS..THydrogen-bonded Turntrans-64.4-35.9178.3-61.8174000110.8L83 Y84I81-L83 VanDerWaalsContact C-N 3.29Å; I81-L83 PolarHBondContact O-N 3.18Å; I81-Y84 PolarHBondContact O-N 2.85Å
82A71.3Confident85.1Confident83 Ų8362.5 Ų62.569%0.68632%0.316SS*.THydrogen-bonded Turntrans-69.2-30.2-177.800000112.2D80D80-A82 VanDerWaalsContact C-N 3.29Å; D80-A82 PolarHBondContact O-N 3.1Å; D80-A82 VanDerWaalsContact OD1-CB 3.31Å; D80-A82 WeakPolarHBondContact OD1-CB 3.44Å; D80-A82 PolarHBondContact OD1-N 3.44Å
83L69.9Low85.1Confident119 Ų11966.7 Ų66.762%0.62334%0.341SS*.THydrogen-bonded Turntrans-100.4-5-179.7-59.5178.2000113.5D80 I81 A85D80-L83 HydrophobicContact CB-CB 4.25Å; D80-L83 HydrophobicContact CB-CD1 4.5Å; D80-L83 HydrophobicContact CB-CG 4.48Å; D80-L83 PolarHBondContact O-N 2.88Å; I81-L83 VanDerWaalsContact C-N 3.29Å; I81-L83 PolarHBondContact O-N 3.18Å; L83-A85 HydrophobicContact CB-CB 4.22Å; L83-A85 PolarHBondContact O-N 3.08Å
84Y71Confident85.1Confident185 Ų18568.5 Ų68.573%0.72536%0.356SS*.THydrogen-bonded Turntrans4740.6-171.3-65.1-85.8000112.6W79 D80 I81W79-Y84 WeakPolarHBondContact CH2-O 3.3Å; D80-Y84 PolarHBondContact O-N 3.23Å; I81-Y84 PolarHBondContact O-N 2.85Å
85A73.6Confident85Confident35 Ų3570 Ų7029%0.28937%0.366SS..EExtended strand (participates in β ladder)trans-140149.1-170.900000112.8D80 L83 D87D80-A85 PolarHBondContact N-O 3.15Å; D80-A85 PolarHBondContact O-N 2.75Å; L83-A85 HydrophobicContact CB-CB 4.22Å; L83-A85 PolarHBondContact O-N 3.08Å; A85-D87 PolarHBondContact O-N 2.85Å
86M79.1Confident84.9Confident56 Ų5673.4 Ų73.428%0.27639%0.391SS..EExtended strand (participates in β ladder)trans-80.4105.6163.3-68.5-173.6-17800108.2N15 V17 A77 R78 W79 W89N15-M86 HydrophobicContact CB-CE 3.84Å; V17-M86 HydrophobicContact CG2-CE 4.45Å; V17-M86 HydrophobicContact CG2-SD 4.42Å; A77-M86 HydrophobicContact CB-CB 4.25Å; A77-M86 HydrophobicContact CB-CG 4.28Å; A77-M86 HydrophobicContact CB-SD 3.94Å; R78-M86 VanDerWaalsContact O-CA 3.3Å; R78-M86 WeakPolarHBondContact O-CA 3.45Å; W79-M86 HydrophobicContact CE3-CB 4.47Å; W79-M86 HydrophobicContact CE3-CE 4.29Å; W79-M86 HydrophobicContact CE3-CG 3.54Å; W79-M86 HydrophobicContact CZ3-CG 3.96Å; M86-W89 HydrophobicContact CB-CZ2 4.09Å; M86-W89 HydrophobicContact CG-CZ2 4.35Å; M86-W89 HydrophobicContact SD-CH2 3.88Å; M86-W89 HydrophobicContact SD-CZ2 3.34Å; M86-W89 WeakPolarHBondContact SD-CZ2 3.29Å
87D75.3Confident84.8Confident52 Ų5274.1 Ų74.128%0.27840%0.395SS..EExtended strand (participates in β ladder)trans-99.6-28.2-163.659.4-13.7000113.1R78 D80 A85R78-D87 VanDerWaalsContact C-OD1 3.24Å; R78-D87 VanDerWaalsContact CB-OD1 3.23Å; R78-D87 WeakPolarHBondContact CB-OD1 3.43Å; R78-D87 WeakPolarHBondContact CG-OD1 3.49Å; R78-D87 IonicContact CZ-OD1 3.91Å; R78-D87 IonicContact CZ-OD2 3.02Å; R78-D87 IonicContact NE-OD1 3.03Å; R78-D87 PolarHBondContact NE-OD1 2.81Å; R78-D87 IonicContact NE-OD2 2.73Å; R78-D87 PolarHBondContact NE-OD2 3.11Å; R78-D87 IonicContact NH2-OD1 3.95Å; R78-D87 IonicContact NH2-OD2 2.61Å; R78-D87 PolarHBondContact NH2-OD2 2.84Å; R78-D87 PolarHBondContact O-N 2.72Å; D80-D87 HydrophobicContact CB-CB 4.41Å; D80-D87 WeakPolarHBondContact CB-OD2 3.38Å; A85-D87 PolarHBondContact O-N 2.85Å
88Y81.1Confident84.6Confident128 Ų12879 Ų7950%0.50243%0.43SS..EExtended strand (participates in β ladder)trans-134.2126.9174.7-173.2-94.5000111.9A77 R78A77-Y88 CarbonylContact C-O 3.6Å; A77-Y88 WeakPolarHBondContact CA-O 3.48Å; R78-Y88 PolarHBondContact N-O 3.13Å
89W89.3Confident84.1Confident81 Ų8181.8 Ų81.831%0.30746%0.456SS..EExtended strand (participates in β ladder)trans-110.1136177.1-71.872.6000110.8V17 L25 Y75 A77 M86V17-W89 HydrophobicContact CB-CH2 3.95Å; V17-W89 HydrophobicContact CB-CZ3 3.85Å; V17-W89 HydrophobicContact CG1-CH2 3.98Å; V17-W89 HydrophobicContact CG1-CZ3 4.12Å; V17-W89 HydrophobicContact CG2-CH2 3.71Å; V17-W89 HydrophobicContact CG2-CZ3 4.01Å; L25-W89 HydrophobicContact CD1-CH2 3.87Å; L25-W89 HydrophobicContact CD1-CZ2 4.37Å; Y75-W89 HydrophobicContact CD1-CE3 4.32Å; Y75-W89 HydrophobicContact CD2-CZ3 4.36Å; Y75-W89 AromaticContact CG-CE3 3.98Å; Y75-W89 HydrophobicContact CG-CE3 3.98Å; Y75-W89 HydrophobicContact CG-CZ3 4.06Å; A77-W89 HydrophobicContact CB-CD2 3.72Å; A77-W89 HydrophobicContact CB-CE3 4.07Å; A77-W89 HydrophobicContact CB-CG 4.1Å; A77-W89 HydrophobicContact CB-CH2 4.43Å; A77-W89 HydrophobicContact CB-CZ2 4.13Å; A77-W89 HydrophobicContact CB-CZ3 4.41Å; M86-W89 HydrophobicContact CB-CZ2 4.09Å; M86-W89 HydrophobicContact CG-CZ2 4.35Å; M86-W89 HydrophobicContact SD-CH2 3.88Å; M86-W89 HydrophobicContact SD-CZ2 3.34Å; M86-W89 WeakPolarHBondContact SD-CZ2 3.29Å
90G88.6Confident83.5Confident18 Ų1887 Ų8719%0.18648%0.483CS..  trans-64.8161.9164.500000111.3C76 G92C76-G90 PolarHBondContact O-N 3.39Å; G90-G92 PolarHBondContact O-N 3.25Å
91Q93.1Very high83Confident180 Ų18090.7 Ų90.784%0.84151%0.511SS*.  trans-62.2-11.8178.4-65.4-61.9-44.700114
92G94.8Very high82.3Confident24 Ų2493.8 Ų93.825%0.24752%0.524CS..  trans82.2163.6-174.300000112.7Y74 G90Y74-G92 CarbonylContact O-C 3.47Å; Y74-G92 WeakPolarHBondContact O-CA 3.24Å; G90-G92 PolarHBondContact O-N 3.25Å
93T96.9Very high81.7Confident95 Ų9595.3 Ų95.358%0.58353%0.529SS*.EExtended strand (participates in β ladder)trans-140.2125.3176-64.40000109V73 Y74V73-T93 WeakPolarHBondContact CA-O 2.88Å; Y74-T93 PolarHBondContact N-O 3.04Å; Y74-T93 PolarHBondContact O-N 2.99Å
94S97.2Very high81Confident83 Ų83102.5 Ų102.558%0.5856%0.556SS**EExtended strand (participates in β ladder)trans-73.7127.4174.9-170.40000109.6
95V95.9Very high81.5Confident42 Ų4298.4 Ų98.426%0.25555%0.547SS..EExtended strand (participates in β ladder)trans-117.7123.3169.21790000107.1L66 S71 A72 Y74 V97L66-V95 HydrophobicContact CD1-CG1 4.39Å; S71-V95 VanDerWaalsContact CA-O 3.28Å; S71-V95 WeakPolarHBondContact CA-O 3.48Å; A72-V95 PolarHBondContact N-O 2.97Å; A72-V95 PolarHBondContact O-N 3.33Å; Y74-V95 HydrophobicContact CD2-CB 3.85Å; Y74-V95 HydrophobicContact CD2-CG2 3.68Å; Y74-V95 HydrophobicContact CE2-CB 3.74Å; Y74-V95 HydrophobicContact CE2-CG1 4.46Å; Y74-V95 HydrophobicContact CE2-CG2 4.01Å; V95-V97 HydrophobicContact CG1-CG2 4.25Å
96T95.6Very high82Confident114 Ų114101.7 Ų101.770%0.69956%0.561SS**  trans-116.3127.5178.5-560000108.6
97V92.9Very high82.1Confident31 Ų31104.2 Ų104.219%0.18858%0.576CS.*  trans-119.7113.3-179.9-173.40000107.5L66 T67 S68 S71 V95L66-V97 HydrophobicContact CB-CG1 4.24Å; L66-V97 HydrophobicContact CB-CG2 3.93Å; L66-V97 HydrophobicContact CD1-CG2 4.07Å; T67-V97 WeakPolarHBondContact O-CB 3.26Å; S68-V97 WeakPolarHBondContact CA-O 3.38Å; S71-V97 PolarHBondContact OG-N 3.14Å; S71-V97 PolarHBondContact OG-O 2.58Å; V95-V97 HydrophobicContact CG1-CG2 4.25Å
98S89.6Confident82.5Confident105 Ų105107.3 Ų107.373%0.73459%0.594SS**  trans-103.8140.6175.651.20000110.2E100S98-E100 PolarHBondContact O-N 3.46Å
99S81.9Confident82.6Confident104 Ų104106 Ų10673%0.72760%0.6SS**  trans-71.8124.4164.9510000109S101S99-S101 PolarHBondContact O-N 3.47Å
100E70.4Confident82.2Confident179 Ų179107.7 Ų107.784%0.83662%0.619SS**  trans-77.5115.8168.4-128.3172.2-162.300108.3S98 Q102S98-E100 PolarHBondContact O-N 3.46Å; E100-Q102 PolarHBondContact O-N 2.95Å
101S65.4Low81.7Confident101 Ų101114.1 Ų114.171%0.70665%0.65SS**  trans-80.8108.7163.650.90000107.3S99 S103S99-S101 PolarHBondContact O-N 3.47Å; S101-S103 PolarHBondContact O-N 2.62Å
102Q56.3Low80.8Confident155 Ų155109 Ų10972%0.72464%0.636SS**  trans-67.7105.7163.6-70-174.7-1.500107.1E100 F104E100-Q102 PolarHBondContact O-N 2.95Å; Q102-F104 PolarHBondContact O-N 3.4Å
103S57.2Low79.7Confident114 Ų114116.1 Ų116.180%0.79767%0.668SS**  trans-63.9116.5166.1-44.60000107.1S101S101-S103 PolarHBondContact O-N 2.62Å
104F57Low78.1Confident270 Ų270118 Ų118100%1.18468%0.676SS**  trans-70.40171.5-71.8-82.8000111.4Q102Q102-F104 PolarHBondContact O-N 3.4Å

Retrieved 104 of 104 residues in 32.4 ms (Link to these results)

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