A0A096N0W1_PAPAN Loading...

CXXC motif containing zinc binding protein

AlphaFold DB , UniProt , Accession A0A096N0W1, Species PAPAN (Papio anubis, Olive baboon), Gene CZIB, Length 160 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M67.9Low95Very high155 Ų15537.6 Ų37.676%0.76420%0.199SC*.  0123.20-168.9175.3-61.200104.9E101 C102 R103M1-E101 HydrophobicContact CG-CG 4.03Å; M1-E101 HydrophobicContact SD-CG 4.37Å; M1-E101 VanDerWaalsContact SD-OE1 3.41Å; M1-C102 WeakPolarHBondContact CA-O 3.24Å; M1-R103 HydrophobicContact CE-CG 4.13Å; M1-R103 HydrophobicContact CG-CG 4.13Å
2G90.3Very high95.3Very high35 Ų3536.5 Ų36.536%0.36119%0.192SC..EExtended strand (participates in β ladder)trans-137.5152.1-175.400000109.5C102G2-C102 PolarHBondContact N-O 3.16Å; G2-C102 WeakPolarHBondContact O-CB 3.3Å; G2-C102 PolarHBondContact O-N 2.92Å
3K96.3Very high95.6Very high95 Ų9539.5 Ų39.541%0.41321%0.205SC..EExtended strand (participates in β ladder)trans-98.3139172.7-72.6-174.3178.8-169.30109.2L79 F100 C160K3-L79 HydrophobicContact CD-CD1 4.24Å; K3-F100 WeakPolarHBondContact CA-O 3.43Å; K3-C160 HydrophobicContact CB-CB 3.9Å; K3-C160 PolarHBondContact O-N 2.8Å
4I98.5Very high95.8Very high9 Ų940.7 Ų40.75%0.04621%0.212CC..EExtended strand (participates in β ladder)trans-127.4122.6174.3-67.7177.5000108E99 F100 E106 P107 F157 V158 K159I4-E99 WeakPolarHBondContact O-CA 3.33Å; I4-F100 PolarHBondContact N-O 2.93Å; I4-F100 PolarHBondContact O-N 2.85Å; I4-E106 HydrophobicContact CD1-CB 3.71Å; I4-E106 HydrophobicContact CD1-CG 3.69Å; I4-P107 HydrophobicContact CG2-CG 4.05Å; I4-F157 HydrophobicContact CG2-CB 3.92Å; I4-F157 HydrophobicContact CG2-CD1 3.65Å; I4-F157 HydrophobicContact CG2-CG 4.19Å; I4-V158 CarbonylContact C-O 3.57Å; I4-V158 WeakPolarHBondContact CA-O 3.18Å; I4-K159 HydrophobicContact CG1-CG 4.4Å
5A98.7Very high96Very high2 Ų238.1 Ų38.12%0.01720%0.198CC..EExtended strand (participates in β ladder)trans-86.1131.317200000110.1T96 E99 F157 V158A5-T96 HydrophobicContact CB-CG2 3.66Å; A5-E99 HydrophobicContact CB-CG 4.23Å; A5-F157 WeakPolarHBondContact O-CA 3.02Å; A5-V158 HydrophobicContact CB-CB 4.39Å; A5-V158 PolarHBondContact N-O 2.87Å; A5-V158 PolarHBondContact O-N 3.31Å
6L98.8Very high96.2Very high0 Ų037.4 Ų37.40%020%0.196CC..EExtended strand (participates in β ladder)trans-92.4119.1164.5168.762.2000108.4W27 T96 I97 V98 F100 F110 H155 F157L6-W27 HydrophobicContact CD2-CE3 3.94Å; L6-W27 HydrophobicContact CD2-CZ3 3.79Å; L6-T96 WeakPolarHBondContact O-CA 3.45Å; L6-I97 HydrophobicContact CD2-CD1 4.45Å; L6-I97 HydrophobicContact CG-CG1 4.33Å; L6-I97 PolarHBondContact O-N 3.26Å; L6-V98 HydrophobicContact CB-CG1 3.87Å; L6-V98 HydrophobicContact CD2-CG1 3.94Å; L6-V98 HydrophobicContact CG-CG1 4.35Å; L6-V98 PolarHBondContact N-O 3.26Å; L6-F100 HydrophobicContact CB-CE2 3.84Å; L6-F100 HydrophobicContact CD2-CE2 4.33Å; L6-F100 HydrophobicContact CD2-CZ 4.43Å; L6-F110 HydrophobicContact CD1-CB 4.05Å; L6-F110 HydrophobicContact CD1-CD1 3.83Å; L6-F110 HydrophobicContact CD1-CG 4.08Å; L6-F110 HydrophobicContact CD2-CB 4.37Å; L6-F110 HydrophobicContact CD2-CD1 3.72Å; L6-F110 HydrophobicContact CD2-CD2 3.92Å; L6-F110 HydrophobicContact CD2-CE1 3.88Å; L6-F110 HydrophobicContact CD2-CE2 4.11Å; L6-F110 HydrophobicContact CD2-CG 3.74Å; L6-F110 HydrophobicContact CD2-CZ 4.08Å; L6-F110 HydrophobicContact CG-CD1 4.31Å; L6-H155 HydrophobicContact CD1-CB 3.84Å; L6-F157 HydrophobicContact CB-CD1 4.18Å; L6-F157 HydrophobicContact CB-CE1 3.9Å; L6-F157 HydrophobicContact CD1-CD1 4.25Å; L6-F157 HydrophobicContact CD1-CE1 3.77Å; L6-F157 HydrophobicContact CD1-CZ 3.91Å; L6-F157 HydrophobicContact CG-CE1 4.31Å
7Q98.9Very high96.3Very high32 Ų3237.5 Ų37.515%0.1520%0.197CC..EExtended strand (participates in β ladder)trans-103.3135.3175.3-56.2-166.4-37.800110.3F94 K95 T96 H155 Q156 V158Q7-F94 HydrophobicContact CB-CB 4.19Å; Q7-F94 HydrophobicContact CB-CD1 4.13Å; Q7-K95 CarbonylContact C-O 3.52Å; Q7-K95 WeakPolarHBondContact CA-O 3.38Å; Q7-T96 PolarHBondContact NE2-OG1 3.33Å; Q7-T96 VanDerWaalsContact NE2-OG1 3.11Å; Q7-H155 CarbonylContact O-C 3.51Å; Q7-H155 WeakPolarHBondContact O-CA 3.19Å; Q7-H155 WeakPolarHBondContact O-CB 3.22Å; Q7-Q156 HydrophobicContact CB-CG 3.91Å; Q7-Q156 HydrophobicContact CG-CG 4.47Å; Q7-Q156 PolarHBondContact N-O 2.97Å; Q7-Q156 PolarHBondContact O-N 2.94Å; Q7-V158 HydrophobicContact CG-CG2 4.16Å
8L98.8Very high96.5Very high2 Ų235.5 Ų35.51%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-102.5146.3173.1-164.775.3000108.8L18 Y86 F94 K95 I97 F110 V153L8-L18 HydrophobicContact CD2-CD2 4.12Å; L8-Y86 HydrophobicContact CB-CD2 4.37Å; L8-Y86 HydrophobicContact CD2-CD2 4.48Å; L8-Y86 HydrophobicContact CD2-CG 4.33Å; L8-Y86 WeakPolarHBondContact O-CE2 3.35Å; L8-F94 WeakPolarHBondContact O-CA 3.3Å; L8-K95 PolarHBondContact N-O 3.41Å; L8-K95 PolarHBondContact O-N 3.18Å; L8-I97 HydrophobicContact CB-CD1 3.97Å; L8-I97 HydrophobicContact CB-CG1 4.18Å; L8-I97 HydrophobicContact CB-CG2 3.79Å; L8-I97 HydrophobicContact CD1-CD1 4.42Å; L8-I97 HydrophobicContact CD2-CD1 4.41Å; L8-F110 HydrophobicContact CD1-CE1 4.38Å; L8-V153 HydrophobicContact CD1-CG1 3.78Å
9K98.9Very high96.6Very high62 Ų6237.4 Ų37.427%0.2719%0.191SC..EExtended strand (participates in β ladder)trans-135.2137.2163165.9174.6167.7150.70107.8E92 F94 T154K9-E92 VanDerWaalsContact CD-O 3.26Å; K9-E92 WeakPolarHBondContact CD-O 3.31Å; K9-E92 WeakPolarHBondContact CE-O 3.28Å; K9-E92 PolarHBondContact NZ-O 2.84Å; K9-F94 HydrophobicContact CB-CD1 3.57Å; K9-F94 HydrophobicContact CB-CD2 4.5Å; K9-F94 HydrophobicContact CB-CE1 3.65Å; K9-F94 HydrophobicContact CB-CG 4.03Å; K9-F94 HydrophobicContact CB-CZ 4.17Å; K9-F94 HydrophobicContact CD-CD2 4.34Å; K9-F94 HydrophobicContact CD-CE2 4.18Å; K9-F94 HydrophobicContact CD-CZ 4.34Å; K9-T154 HydrophobicContact CB-CG2 3.78Å; K9-T154 HydrophobicContact CD-CG2 4.24Å; K9-T154 HydrophobicContact CG-CG2 4.03Å; K9-T154 PolarHBondContact N-O 3.25Å; K9-T154 PolarHBondContact O-N 3.32Å
10A98.8Very high96.7Very high0 Ų036.5 Ų36.50%019%0.187CC..EExtended strand (participates in β ladder)trans-151.8157.7174.100000109.7L12 Y86 N91 E92 I150 Y151 V153A10-L12 HydrophobicContact CB-CD2 4.27Å; A10-Y86 HydrophobicContact CB-CE1 4.29Å; A10-Y86 PolarHBondContact N-OH 3.05Å; A10-Y86 PolarHBondContact O-OH 2.98Å; A10-N91 PolarHBondContact O-OD1 3.12Å; A10-E92 PolarHBondContact O-N 3.07Å; A10-I150 HydrophobicContact CB-CG2 3.92Å; A10-Y151 WeakPolarHBondContact CA-O 3.13Å; A10-V153 HydrophobicContact CB-CG2 4Å
11S98.8Very high96.7Very high22 Ų2238.2 Ų38.215%0.15420%0.199CC..EExtended strand (participates in β ladder)trans-92.5120.4168.3-57.90000108.6N91 Y151S11-N91 VanDerWaalsContact CA-OD1 3.31Å; S11-N91 WeakPolarHBondContact CA-OD1 3.14Å; S11-Y151 PolarHBondContact N-O 2.99Å; S11-Y151 PolarHBondContact O-N 2.87Å
12L98.8Very high98Very high24 Ų2432.8 Ų32.813%0.12618%0.184CC..EExtended strand (participates in β ladder)trans-104.9133-175.5-55.1-179000110.4A10 I15 Y86 N87 N91 I150A10-L12 HydrophobicContact CB-CD2 4.27Å; L12-I15 HydrophobicContact CD2-CG2 4.31Å; L12-Y86 HydrophobicContact CD1-CD1 3.78Å; L12-Y86 HydrophobicContact CD1-CE1 3.74Å; L12-Y86 HydrophobicContact CD2-CD1 4.22Å; L12-Y86 HydrophobicContact CD2-CE1 4.13Å; L12-Y86 HydrophobicContact CG-CD1 4.28Å; L12-Y86 HydrophobicContact CG-CE1 3.93Å; L12-N87 WeakPolarHBondContact CD1-O 3.39Å; L12-N91 PolarHBondContact N-OD1 2.96Å; L12-I150 HydrophobicContact CD2-CB 4.45Å; L12-I150 HydrophobicContact CD2-CG1 4.06Å; L12-I150 HydrophobicContact CD2-CG2 4.15Å
13E98.8Very high98.3Very high76 Ų7637.8 Ų37.836%0.35520%0.197SC..EExtended strand (participates in β ladder)trans-114.6115169.4-179.6177.3-179.500108.2I15 V148 G149 Y151E13-I15 PolarHBondContact O-N 3.09Å; E13-V148 WeakPolarHBondContact O-CA 3.28Å; E13-G149 PolarHBondContact N-O 3.37Å; E13-G149 PolarHBondContact O-N 2.74Å; E13-Y151 HydrophobicContact CB-CE2 3.9Å; E13-Y151 PolarHBondContact OE2-OH 2.89Å
14N98.7Very high98.3Very high56 Ų5638 Ų3830%0.29920%0.203SC..SBendtrans53.422.3175.9-57.3-30.8000115.6G120 V121 E146 S147 V148N14-G120 WeakPolarHBondContact O-CA 3.38Å; N14-V121 VanDerWaalsContact C-CG2 3.47Å; N14-V121 PolarHBondContact O-N 3.38Å; N14-E146 HydrophobicContact CB-CG 4.26Å; N14-E146 WeakPolarHBondContact CB-OE1 3.34Å; N14-E146 VanDerWaalsContact CG-CD 3.42Å; N14-E146 VanDerWaalsContact ND2-CD 3.3Å; N14-E146 PolarHBondContact ND2-OE2 3.28Å; N14-S147 PolarHBondContact ND2-O 3.2Å; N14-V148 HydrophobicContact CB-CG1 3.94Å
15I98.7Very high98.3Very high1 Ų138 Ų381%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-120.9143.8-177.3-80.7-74.8000112L12 E13 A118 E119 F127 W137 V148 I150L12-I15 HydrophobicContact CD2-CG2 4.31Å; E13-I15 PolarHBondContact O-N 3.09Å; I15-A118 HydrophobicContact CD1-CB 3.98Å; I15-A118 HydrophobicContact CG2-CB 3.79Å; I15-E119 WeakPolarHBondContact CA-O 3.44Å; I15-F127 HydrophobicContact CD1-CD2 3.55Å; I15-F127 HydrophobicContact CD1-CE2 3.82Å; I15-F127 HydrophobicContact CD1-CG 4.37Å; I15-W137 HydrophobicContact CD1-CZ3 4.31Å; I15-W137 HydrophobicContact CG1-CZ3 4.37Å; I15-V148 HydrophobicContact CD1-CB 4.04Å; I15-V148 HydrophobicContact CD1-CG1 4.2Å; I15-V148 HydrophobicContact CG1-CB 3.7Å; I15-V148 HydrophobicContact CG1-CG1 4.05Å; I15-I150 HydrophobicContact CG2-CD1 4.32Å; I15-I150 HydrophobicContact CG2-CG1 4.05Å
16T98.9Very high98.3Very high28 Ų2842.9 Ų42.917%0.17222%0.221CC..EExtended strand (participates in β ladder)trans-141.7178.7170.3-165.60000111.4L18 A88 E119 V121T16-L18 PolarHBondContact O-N 2.94Å; T16-L18 VanDerWaalsContact O-N 3.12Å; T16-A88 PolarHBondContact OG1-N 2.85Å; T16-A88 VanDerWaalsContact OG1-N 3.15Å; T16-E119 HydrophobicContact CG2-CB 4.41Å; T16-E119 PolarHBondContact N-O 3.35Å; T16-E119 PolarHBondContact O-N 3.05Å; T16-V121 HydrophobicContact CG2-CG2 4.24Å
17N98.8Very high98.3Very high38 Ų3843 Ų4320%0.20322%0.221CC..EExtended strand (participates in β ladder)trans54.632.5175.1-159.213.9000114.4R19 P85 Y86 N87 E119N17-R19 PolarHBondContact ND2-NH1 3.41Å; N17-R19 PolarHBondContact O-N 2.97Å; N17-R19 PolarHBondContact O-NH1 2.95Å; N17-R19 PolarHBondContact OD1-NH1 2.76Å; N17-P85 WeakPolarHBondContact OD1-CB 3.23Å; N17-Y86 PolarHBondContact N-O 2.81Å; N17-N87 WeakPolarHBondContact CA-OD1 3.4Å; N17-N87 PolarHBondContact N-OD1 2.88Å; N17-E119 HydrophobicContact CB-CB 4.45Å; N17-E119 VanDerWaalsContact ND2-CD 3.28Å; N17-E119 PolarHBondContact ND2-OE1 3.34Å; N17-E119 PolarHBondContact ND2-OE2 2.99Å
18L98.9Very high98.3Very high2 Ų243 Ų431%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-66118.2177.4173.763.7000109.5L8 T16 P85 Y86 F116 A117 A118 L132 I150L8-L18 HydrophobicContact CD2-CD2 4.12Å; T16-L18 PolarHBondContact O-N 2.94Å; T16-L18 VanDerWaalsContact O-N 3.12Å; L18-P85 CarbonylContact O-C 3.6Å; L18-P85 VanDerWaalsContact O-CA 3.32Å; L18-P85 WeakPolarHBondContact O-CA 3.32Å; L18-Y86 WeakPolarHBondContact CB-O 3.46Å; L18-Y86 PolarHBondContact N-O 2.85Å; L18-Y86 PolarHBondContact O-N 3.04Å; L18-F116 HydrophobicContact CD1-CB 3.83Å; L18-F116 HydrophobicContact CD1-CD1 3.84Å; L18-F116 HydrophobicContact CD1-CG 4.13Å; L18-F116 HydrophobicContact CG-CD1 4.26Å; L18-A117 CarbonylContact C-O 3.52Å; L18-A117 VanDerWaalsContact CA-O 3.32Å; L18-A117 WeakPolarHBondContact CA-O 3.5Å; L18-A118 HydrophobicContact CB-CB 4.3Å; L18-A118 HydrophobicContact CD1-CB 4.21Å; L18-L132 HydrophobicContact CD1-CD1 4.39Å; L18-L132 HydrophobicContact CD2-CD1 4.21Å; L18-I150 HydrophobicContact CD1-CD1 3.76Å; L18-I150 HydrophobicContact CD2-CD1 4Å; L18-I150 HydrophobicContact CD2-CG2 4.14Å; L18-I150 HydrophobicContact CG-CD1 4.41Å
19R98.7Very high98.3Very high71 Ų7142.9 Ų42.927%0.26822%0.22SC..EExtended strand (participates in β ladder)trans-151.8150.7-173.466.7-165.3179.4-8313.3112.8N17 V21 P85 F116 A117 E119N17-R19 PolarHBondContact ND2-NH1 3.41Å; N17-R19 PolarHBondContact O-N 2.97Å; N17-R19 PolarHBondContact O-NH1 2.95Å; N17-R19 PolarHBondContact OD1-NH1 2.76Å; R19-V21 HydrophobicContact CG-CG2 4.22Å; R19-P85 HydrophobicContact CB-CB 4.16Å; R19-F116 CarbonylContact O-C 3.53Å; R19-F116 VanDerWaalsContact O-CA 3.3Å; R19-F116 WeakPolarHBondContact O-CA 3.31Å; R19-A117 PolarHBondContact N-O 3.07Å; R19-A117 PolarHBondContact O-N 2.84Å; R19-E119 IonicContact CZ-OE1 3.77Å; R19-E119 IonicContact NH1-OE1 3.16Å; R19-E119 PolarHBondContact NH1-OE1 2.96Å; R19-E119 VanDerWaalsContact NH1-OE1 3.17Å; R19-E119 IonicContact NH2-OE1 3.39Å; R19-E119 PolarHBondContact NH2-OE1 3.32Å
20P98.3Very high98.3Very high19 Ų1941.7 Ų41.712%0.12321%0.214CC..EExtended strand (participates in β ladder)trans-66.1141.3166.330.7-35.7000110F25 W27 I83P20-F25 HydrophobicContact CB-CB 4.36Å; P20-F25 HydrophobicContact CB-CD1 3.64Å; P20-F25 HydrophobicContact CB-CD2 3.53Å; P20-F25 HydrophobicContact CB-CE1 3.73Å; P20-F25 HydrophobicContact CB-CE2 3.63Å; P20-F25 HydrophobicContact CB-CG 3.54Å; P20-F25 HydrophobicContact CB-CZ 3.73Å; P20-W27 HydrophobicContact CB-CH2 4.45Å; P20-W27 HydrophobicContact CB-CZ2 4.14Å; P20-W27 HydrophobicContact CG-CH2 3.97Å; P20-W27 HydrophobicContact CG-CZ2 3.76Å; P20-I83 HydrophobicContact CG-CG2 3.69Å
21V97.6Very high98.3Very high73 Ų7341.9 Ų41.944%0.44222%0.215SC..  trans-122.3138.6179.5-178.90000110.6R19 G115 A117R19-V21 HydrophobicContact CG-CG2 4.22Å; V21-G115 PolarHBondContact N-O 3.32Å; V21-A117 HydrophobicContact CG2-CB 3.54Å
22G96.1Very high98.2Very high42 Ų4244.9 Ų44.943%0.43323%0.226SC..SBendtrans89.5150.1176.700000114.1D24 F25G22-D24 PolarHBondContact O-N 2.9Å; G22-F25 WeakPolarHBondContact O-CB 3.38Å; G22-F25 PolarHBondContact O-N 2.93Å
23E95.7Very high98.2Very high139 Ų13944 Ų4465%0.6522%0.221SC*.THydrogen-bonded Turntrans-72-16.5174.3-63.1-170.4162.600112.4L48 M49E23-L48 HydrophobicContact CB-CB 4.23Å; E23-L48 PolarHBondContact O-N 2.83Å; E23-L48 VanDerWaalsContact O-N 3.12Å; E23-M49 HydrophobicContact CB-CB 3.97Å; E23-M49 PolarHBondContact O-N 3.02Å
24D97Very high98.1Very high100 Ų10042.5 Ų42.554%0.53523%0.227SC..THydrogen-bonded Turntrans-88.9-1.7177.265.9-37.4000113.8G22 R26 R47 M49G22-D24 PolarHBondContact O-N 2.9Å; D24-R26 PolarHBondContact O-N 3.41Å; D24-R47 WeakPolarHBondContact O-CD 3.4Å; D24-M49 HydrophobicContact CB-SD 3.54Å; D24-M49 VanDerWaalsContact CB-SD 3.54Å
25F98.4Very high98.1Very high10 Ų1044.4 Ų44.44%0.04424%0.237CC..  trans-52.4130173.6-177.3-88.5000111.3P20 G22 W27 R47 G115 F116P20-F25 HydrophobicContact CB-CB 4.36Å; P20-F25 HydrophobicContact CB-CD1 3.64Å; P20-F25 HydrophobicContact CB-CD2 3.53Å; P20-F25 HydrophobicContact CB-CE1 3.73Å; P20-F25 HydrophobicContact CB-CE2 3.63Å; P20-F25 HydrophobicContact CB-CG 3.54Å; P20-F25 HydrophobicContact CB-CZ 3.73Å; G22-F25 WeakPolarHBondContact O-CB 3.38Å; G22-F25 PolarHBondContact O-N 2.93Å; F25-W27 AromaticContact CD1-CD1 3.85Å; F25-W27 HydrophobicContact CD1-CD2 4.01Å; F25-W27 AromaticContact CD1-CE2 3.66Å; F25-W27 HydrophobicContact CD1-CG 4.16Å; F25-W27 HydrophobicContact CD1-CZ2 4.13Å; F25-W27 AromaticContact CD1-NE1 3.57Å; F25-W27 AromaticContact CE1-CD2 3.68Å; F25-W27 HydrophobicContact CE1-CD2 3.68Å; F25-W27 AromaticContact CE1-CE2 3.67Å; F25-W27 AromaticContact CE1-CE3 3.96Å; F25-W27 HydrophobicContact CE1-CE3 3.96Å; F25-W27 HydrophobicContact CE1-CG 4.11Å; F25-W27 HydrophobicContact CE1-CH2 4.24Å; F25-W27 AromaticContact CE1-CZ2 3.99Å; F25-W27 HydrophobicContact CE1-CZ2 3.99Å; F25-W27 HydrophobicContact CE1-CZ3 4.22Å; F25-R47 WeakPolarHBondContact O-CG 3.44Å; F25-G115 VanDerWaalsContact CD2-O 3.31Å; F25-G115 WeakPolarHBondContact CD2-O 3.38Å; F25-F116 AromaticContact CE2-CD2 3.88Å; F25-F116 HydrophobicContact CE2-CD2 3.88Å; F25-F116 AromaticContact CE2-CE2 3.78Å; F25-F116 HydrophobicContact CE2-CE2 3.78Å; F25-F116 HydrophobicContact CE2-CG 4.32Å; F25-F116 HydrophobicContact CE2-CZ 4.12Å; F25-F116 HydrophobicContact CZ-CD2 4.11Å; F25-F116 HydrophobicContact CZ-CE1 4.22Å; F25-F116 AromaticContact CZ-CE2 3.51Å; F25-F116 HydrophobicContact CZ-CE2 3.51Å; F25-F116 AromaticContact CZ-CZ 3.57Å; F25-F116 HydrophobicContact CZ-CZ 3.57Å
26R98.6Very high98Very high104 Ų10446.7 Ų46.739%0.39225%0.252SS..  trans-99.1111.4-173.4-68.7-179.1-172.3171.85.7111.3D24 Y28 Y45 R47D24-R26 PolarHBondContact O-N 3.41Å; R26-Y28 HydrophobicContact CB-CD2 3.92Å; R26-Y28 HydrophobicContact CB-CE2 3.4Å; R26-Y28 WeakPolarHBondContact CD-OH 3.45Å; R26-Y28 HydrophobicContact CG-CE2 4.35Å; R26-Y28 PolarHBondContact NH1-OH 2.95Å; R26-Y28 WeakPolarHBondContact O-CD2 3.38Å; R26-Y28 PolarHBondContact O-N 3.15Å; R26-Y45 HydrophobicContact CB-CG 4.3Å; R26-Y45 HydrophobicContact CG-CD2 3.99Å; R26-Y45 HydrophobicContact CG-CG 4.07Å; R26-R47 HydrophobicContact CG-CG 3.96Å
27W98.6Very high98Very high2 Ų247 Ų471%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-82.994.2168.3-61.291.9000109.6L6 P20 F25 L29 Y45 I46 I78 I83 I97 V98 F100 F110L6-W27 HydrophobicContact CD2-CE3 3.94Å; L6-W27 HydrophobicContact CD2-CZ3 3.79Å; P20-W27 HydrophobicContact CB-CH2 4.45Å; P20-W27 HydrophobicContact CB-CZ2 4.14Å; P20-W27 HydrophobicContact CG-CH2 3.97Å; P20-W27 HydrophobicContact CG-CZ2 3.76Å; F25-W27 AromaticContact CD1-CD1 3.85Å; F25-W27 HydrophobicContact CD1-CD2 4.01Å; F25-W27 AromaticContact CD1-CE2 3.66Å; F25-W27 HydrophobicContact CD1-CG 4.16Å; F25-W27 HydrophobicContact CD1-CZ2 4.13Å; F25-W27 AromaticContact CD1-NE1 3.57Å; F25-W27 AromaticContact CE1-CD2 3.68Å; F25-W27 HydrophobicContact CE1-CD2 3.68Å; F25-W27 AromaticContact CE1-CE2 3.67Å; F25-W27 AromaticContact CE1-CE3 3.96Å; F25-W27 HydrophobicContact CE1-CE3 3.96Å; F25-W27 HydrophobicContact CE1-CG 4.11Å; F25-W27 HydrophobicContact CE1-CH2 4.24Å; F25-W27 AromaticContact CE1-CZ2 3.99Å; F25-W27 HydrophobicContact CE1-CZ2 3.99Å; F25-W27 HydrophobicContact CE1-CZ3 4.22Å; W27-L29 HydrophobicContact CB-CD1 4.37Å; W27-L29 HydrophobicContact CB-CG 4.48Å; W27-L29 PolarHBondContact O-N 2.97Å; W27-Y45 VanDerWaalsContact O-CA 3.31Å; W27-Y45 WeakPolarHBondContact O-CA 3.42Å; W27-I46 HydrophobicContact CB-CG1 3.9Å; W27-I46 PolarHBondContact N-O 3.16Å; W27-I46 PolarHBondContact O-N 3.01Å; W27-I78 HydrophobicContact CG-CD1 4.47Å; W27-I83 HydrophobicContact CZ2-CD1 4.46Å; W27-I97 HydrophobicContact CH2-CD1 4.04Å; W27-I97 HydrophobicContact CH2-CG1 4.49Å; W27-I97 HydrophobicContact CZ3-CD1 3.87Å; W27-V98 HydrophobicContact CD2-CG1 4.38Å; W27-V98 HydrophobicContact CE3-CG1 3.93Å; W27-V98 HydrophobicContact CH2-CB 3.72Å; W27-V98 HydrophobicContact CH2-CG1 3.45Å; W27-V98 VanDerWaalsContact CH2-CG1 3.45Å; W27-V98 HydrophobicContact CH2-CG2 4.37Å; W27-V98 HydrophobicContact CZ2-CB 3.91Å; W27-V98 HydrophobicContact CZ2-CG1 3.93Å; W27-V98 HydrophobicContact CZ2-CG2 4.06Å; W27-V98 HydrophobicContact CZ3-CB 4.26Å; W27-V98 HydrophobicContact CZ3-CG1 3.46Å; W27-V98 VanDerWaalsContact CZ3-CG1 3.46Å; W27-F100 HydrophobicContact CD2-CZ 4.42Å; W27-F100 HydrophobicContact CE3-CZ 4.36Å; W27-F100 HydrophobicContact CG-CE1 4.48Å; W27-F110 AromaticContact CE3-CE2 3.82Å; W27-F110 HydrophobicContact CE3-CE2 3.82Å; W27-F110 HydrophobicContact CE3-CZ 4.11Å; W27-F110 HydrophobicContact CZ3-CE2 4.31Å; W27-F110 HydrophobicContact CZ3-CZ 4.13Å
28Y98.8Very high97.9Very high31 Ų3148.2 Ų48.212%0.12227%0.265CS..EExtended strand (participates in β ladder)trans-78.1115.8177.3-65.9-92000111.2R26 W43 Q44 Y45 F110 Q111 Q113R26-Y28 HydrophobicContact CB-CD2 3.92Å; R26-Y28 HydrophobicContact CB-CE2 3.4Å; R26-Y28 WeakPolarHBondContact CD-OH 3.45Å; R26-Y28 HydrophobicContact CG-CE2 4.35Å; R26-Y28 PolarHBondContact NH1-OH 2.95Å; R26-Y28 WeakPolarHBondContact O-CD2 3.38Å; R26-Y28 PolarHBondContact O-N 3.15Å; Y28-W43 HydrophobicContact CD1-CB 4.38Å; Y28-Q44 CarbonylContact C-O 3.49Å; Y28-Q44 WeakPolarHBondContact CA-O 3.27Å; Y28-Y45 HydrophobicContact CD1-CD1 4.34Å; Y28-Y45 AromaticContact CE1-CD1 3.75Å; Y28-Y45 HydrophobicContact CE1-CD1 3.75Å; Y28-Y45 HydrophobicContact CE1-CG 4.24Å; Y28-F110 WeakPolarHBondContact O-CA 3.43Å; Y28-F110 WeakPolarHBondContact O-CD2 3.32Å; Y28-Q111 WeakPolarHBondContact CB-O 3.38Å; Y28-Q111 PolarHBondContact O-N 2.97Å; Y28-Q113 HydrophobicContact CD2-CB 4.2Å; Y28-Q113 VanDerWaalsContact CD2-CD 3.48Å; Y28-Q113 HydrophobicContact CD2-CG 3.8Å; Y28-Q113 HydrophobicContact CE2-CB 4.03Å; Y28-Q113 HydrophobicContact CE2-CG 3.9Å; Y28-Q113 PolarHBondContact OH-OE1 3.29Å
29L98.7Very high97.9Very high0 Ų051.9 Ų51.90%028%0.284CS..EExtended strand (participates in β ladder)trans-128.8146.4-172-59.8167.1000111W27 M31 Q44 I46 F100 P107 D109 F110 F157W27-L29 HydrophobicContact CB-CD1 4.37Å; W27-L29 HydrophobicContact CB-CG 4.48Å; W27-L29 PolarHBondContact O-N 2.97Å; L29-M31 HydrophobicContact CB-CG 4.21Å; L29-Q44 PolarHBondContact N-O 3.27Å; L29-Q44 PolarHBondContact O-N 2.95Å; L29-Q44 VanDerWaalsContact O-N 3.08Å; L29-I46 HydrophobicContact CD1-CD1 3.76Å; L29-I46 HydrophobicContact CD1-CG1 4.05Å; L29-F100 HydrophobicContact CD1-CE1 4.11Å; L29-F100 HydrophobicContact CD1-CZ 4.02Å; L29-P107 HydrophobicContact CB-CB 4.48Å; L29-P107 HydrophobicContact CD1-CB 4.18Å; L29-P107 HydrophobicContact CD2-CB 4.04Å; L29-P107 HydrophobicContact CG-CB 4.46Å; L29-D109 VanDerWaalsContact CA-O 3.31Å; L29-D109 WeakPolarHBondContact CA-O 3.42Å; L29-F110 HydrophobicContact CD2-CB 4.09Å; L29-F110 HydrophobicContact CD2-CD2 3.91Å; L29-F110 HydrophobicContact CD2-CG 4.41Å; L29-F157 HydrophobicContact CD2-CE1 4.5Å; L29-F157 HydrophobicContact CD2-CZ 4.11Å
30K98.6Very high97.8Very high37 Ų3749.6 Ų49.616%0.16128%0.279CS..EExtended strand (participates in β ladder)trans-90.6135.3153.6-62.8-71.2-169142.40108I39 S40 D41 W43 P107 V108 D109K30-I39 HydrophobicContact CB-CG2 4.32Å; K30-S40 WeakPolarHBondContact CD-O 3.3Å; K30-S40 PolarHBondContact NZ-O 3.26Å; K30-D41 PolarHBondContact NZ-O 2.86Å; K30-W43 HydrophobicContact CD-CD2 4.41Å; K30-W43 HydrophobicContact CD-CE3 4.38Å; K30-W43 HydrophobicContact CG-CD2 4.38Å; K30-W43 HydrophobicContact CG-CE3 3.98Å; K30-W43 HydrophobicContact CG-CH2 4.04Å; K30-W43 HydrophobicContact CG-CZ2 4.43Å; K30-W43 HydrophobicContact CG-CZ3 3.81Å; K30-P107 WeakPolarHBondContact O-CA 3.11Å; K30-V108 HydrophobicContact CB-CG2 4.01Å; K30-V108 WeakPolarHBondContact O-CG2 3.31Å; K30-V108 PolarHBondContact O-N 2.92Å; K30-D109 HydrophobicContact CB-CB 3.62Å; K30-D109 HydrophobicContact CG-CB 3.66Å; K30-D109 PolarHBondContact N-O 2.76Å
31M98.2Very high97.7Very high4 Ų454.6 Ų54.62%0.0231%0.305CS..EExtended strand (participates in β ladder)trans-123138.4-174.9-70.7179.3-92.400111.1L29 I39 S40 Q44 M63 I76 L105 E106L29-M31 HydrophobicContact CB-CG 4.21Å; M31-I39 WeakPolarHBondContact O-CA 3.43Å; M31-S40 PolarHBondContact N-OG 2.93Å; M31-S40 VanDerWaalsContact N-OG 3.13Å; M31-S40 PolarHBondContact O-N 2.47Å; M31-Q44 HydrophobicContact CE-CB 3.39Å; M31-Q44 HydrophobicContact CE-CG 4.1Å; M31-M63 HydrophobicContact CE-CE 4.27Å; M31-M63 HydrophobicContact CE-SD 3.72Å; M31-M63 HydrophobicContact SD-SD 4.42Å; M31-I76 HydrophobicContact SD-CG2 4.04Å; M31-L105 HydrophobicContact CB-CD1 3.69Å; M31-L105 HydrophobicContact CB-CD2 4.43Å; M31-L105 HydrophobicContact CB-CG 3.84Å; M31-L105 HydrophobicContact CG-CG 4.19Å; M31-L105 HydrophobicContact SD-CD1 4.41Å; M31-L105 HydrophobicContact SD-CD2 3.42Å; M31-L105 WeakPolarHBondContact SD-CD2 3.44Å; M31-L105 HydrophobicContact SD-CG 3.71Å; M31-E106 CarbonylContact C-O 3.58Å; M31-E106 WeakPolarHBondContact CA-O 3.27Å
32K98.3Very high97.6Very high86 Ų8659.2 Ų59.237%0.37432%0.319SS..EExtended strand (participates in β ladder)trans-105.9130.7178.7-176.9176.3178.4178.50110.6G34 E38 I39 L105 E106 V108K32-G34 PolarHBondContact O-N 2.76Å; K32-E38 CarbonylContact C-O 3.54Å; K32-E38 WeakPolarHBondContact CA-O 3.49Å; K32-I39 HydrophobicContact CB-CG1 4.02Å; K32-I39 HydrophobicContact CD-CG1 4.43Å; K32-I39 HydrophobicContact CG-CG1 4Å; K32-L105 WeakPolarHBondContact O-CA 3.43Å; K32-E106 PolarHBondContact N-O 3.43Å; K32-E106 PolarHBondContact O-N 3.32Å; K32-V108 HydrophobicContact CB-CG1 3.56Å; K32-V108 HydrophobicContact CB-CG2 4.29Å; K32-V108 HydrophobicContact CD-CG1 4.1Å; K32-V108 HydrophobicContact CG-CG1 4.48Å
33C98.3Very high97.7Very high4 Ų461.2 Ų61.23%0.02731%0.313CS..EExtended strand (participates in β ladder)trans-72.1118.3169.8-176.80000110N35 G37 E38 C67C33-N35 PolarHBondContact O-N 3.47Å; C33-N35 PolarHBondContact SG-N 2.9Å; C33-N35 VanDerWaalsContact SG-N 3.45Å; C33-G37 WeakPolarHBondContact O-CA 3.42Å; C33-G37 PolarHBondContact O-N 2.74Å; C33-E38 HydrophobicContact CB-CB 4.24Å; C33-E38 PolarHBondContact N-O 2.6Å; C33-C67 HydrophobicContact CB-CB 4.37Å
34G96.7Very high97.8Very high46 Ų4656.5 Ų56.547%0.47429%0.291SS..THydrogen-bonded Turntrans-690.9176.100000114.8K32 R72 G104K32-G34 PolarHBondContact O-N 2.76Å; G34-R72 VanDerWaalsContact C-NH2 3.32Å; G34-G104 PolarHBondContact N-O 3.39Å
35N97.6Very high97.9Very high96 Ų9656.2 Ų56.251%0.51328%0.283SS..THydrogen-bonded Turntrans-92.5-54.4175.1-156.261.3000112.4C33 R72C33-N35 PolarHBondContact O-N 3.47Å; C33-N35 PolarHBondContact SG-N 2.9Å; C33-N35 VanDerWaalsContact SG-N 3.45Å; N35-R72 VanDerWaalsContact CB-NH1 3.25Å; N35-R72 VanDerWaalsContact N-NH2 3.17Å; N35-R72 PolarHBondContact OD1-NH1 3.26Å
36C97.9Very high97.9Very high49 Ų4955.8 Ų55.833%0.33128%0.281SS..THydrogen-bonded Turntrans-120.2-3.1-166.361.10000112.4E38 C67 L69 C70C36-E38 VanDerWaalsContact C-N 3.26Å; C36-E38 PolarHBondContact O-N 3.48Å; C36-C67 PolarHBondContact SG-SG 3.47Å; C36-L69 HydrophobicContact CB-CD2 4.19Å; C36-C70 HydrophobicContact CB-CB 3.86Å; C36-C70 PolarHBondContact SG-SG 2.98Å
37G97.8Very high97.9Very high33 Ų3353.2 Ų53.234%0.3427%0.272SS..  trans80.8-3.1178.300000115.2C33 I39C33-G37 WeakPolarHBondContact O-CA 3.42Å; C33-G37 PolarHBondContact O-N 2.74Å; G37-I39 PolarHBondContact O-N 2.87Å
38E98.3Very high97.7Very high65 Ų6555.7 Ų55.730%0.30429%0.285SS..  trans-53127.8178.1-178.966.4178.900111.7K32 C33 C36 L69K32-E38 CarbonylContact C-O 3.54Å; K32-E38 WeakPolarHBondContact CA-O 3.49Å; C33-E38 HydrophobicContact CB-CB 4.24Å; C33-E38 PolarHBondContact N-O 2.6Å; C36-E38 VanDerWaalsContact C-N 3.26Å; C36-E38 PolarHBondContact O-N 3.48Å; E38-L69 HydrophobicContact CB-CB 4.17Å; E38-L69 HydrophobicContact CB-CD2 4.29Å; E38-L69 HydrophobicContact CG-CB 4.2Å
39I98.3Very high97.6Very high79 Ų7959 Ų5941%0.40530%0.303SS..BIsolated β-bridgetrans-109.8139.3176.9-59.6175000108.7K30 M31 K32 G37 D41 V108K30-I39 HydrophobicContact CB-CG2 4.32Å; M31-I39 WeakPolarHBondContact O-CA 3.43Å; K32-I39 HydrophobicContact CB-CG1 4.02Å; K32-I39 HydrophobicContact CD-CG1 4.43Å; K32-I39 HydrophobicContact CG-CG1 4Å; G37-I39 PolarHBondContact O-N 2.87Å; I39-D41 PolarHBondContact O-N 2.83Å; I39-V108 HydrophobicContact CD1-CG2 4.35Å; I39-V108 HydrophobicContact CG1-CG2 4.5Å; I39-V108 HydrophobicContact CG2-CG2 3.97Å
40S96.4Very high97.4Very high22 Ų2261.2 Ų61.215%0.15431%0.314CS..  trans-63.8128-179.3580000114.2K30 M31 K42 Q44K30-S40 WeakPolarHBondContact CD-O 3.3Å; K30-S40 PolarHBondContact NZ-O 3.26Å; M31-S40 PolarHBondContact N-OG 2.93Å; M31-S40 VanDerWaalsContact N-OG 3.13Å; M31-S40 PolarHBondContact O-N 2.47Å; S40-K42 VanDerWaalsContact C-N 3.27Å; S40-K42 PolarHBondContact O-N 3.07Å; S40-K42 PolarHBondContact OG-O 3.18Å; S40-Q44 PolarHBondContact OG-NE2 2.77Å
41D94.9Very high97Very high125 Ų12563.4 Ų63.467%0.66834%0.335SS*.SBendtrans-63.6-30.6176.3-55.3-40.7000113.7K30 I39K30-D41 PolarHBondContact NZ-O 2.86Å; I39-D41 PolarHBondContact O-N 2.83Å
42K97.2Very high96.7Very high169 Ų16966.5 Ų66.574%0.73535%0.353SS*.SBendtrans-111.7153.8-178.8-62.6-174.7-179.9-174.70110.8S40S40-K42 VanDerWaalsContact C-N 3.27Å; S40-K42 PolarHBondContact O-N 3.07Å; S40-K42 PolarHBondContact OG-O 3.18Å
43W98.1Very high96.2Very high85 Ų8566.7 Ų66.732%0.32237%0.371SS..  trans-60.1137164.3-67.8107.3000109.7Y28 K30 D109 Q111Y28-W43 HydrophobicContact CD1-CB 4.38Å; K30-W43 HydrophobicContact CD-CD2 4.41Å; K30-W43 HydrophobicContact CD-CE3 4.38Å; K30-W43 HydrophobicContact CG-CD2 4.38Å; K30-W43 HydrophobicContact CG-CE3 3.98Å; K30-W43 HydrophobicContact CG-CH2 4.04Å; K30-W43 HydrophobicContact CG-CZ2 4.43Å; K30-W43 HydrophobicContact CG-CZ3 3.81Å; W43-D109 HydrophobicContact CH2-CB 3.96Å; W43-D109 HydrophobicContact CZ3-CB 4.24Å; W43-Q111 HydrophobicContact CD2-CB 4.04Å; W43-Q111 HydrophobicContact CE3-CB 3.88Å; W43-Q111 HydrophobicContact CH2-CB 3.63Å; W43-Q111 HydrophobicContact CZ2-CB 3.79Å; W43-Q111 HydrophobicContact CZ3-CB 3.66Å
44Q98.1Very high95.6Very high40 Ų4067.4 Ų67.419%0.18738%0.375CS..EExtended strand (participates in β ladder)trans-123.9136.1174.9-67.8174.68500107.2Y28 L29 M31 S40 M63Y28-Q44 CarbonylContact C-O 3.49Å; Y28-Q44 WeakPolarHBondContact CA-O 3.27Å; L29-Q44 PolarHBondContact N-O 3.27Å; L29-Q44 PolarHBondContact O-N 2.95Å; L29-Q44 VanDerWaalsContact O-N 3.08Å; M31-Q44 HydrophobicContact CE-CB 3.39Å; M31-Q44 HydrophobicContact CE-CG 4.1Å; S40-Q44 PolarHBondContact OG-NE2 2.77Å; Q44-M63 HydrophobicContact CB-CE 4.38Å
45Y98Very high95Very high94 Ų9471.6 Ų71.637%0.36938%0.38SS..EExtended strand (participates in β ladder)trans-102.2149.2173.462.3-97.5000111.3R26 W27 Y28 R47 M63R26-Y45 HydrophobicContact CB-CG 4.3Å; R26-Y45 HydrophobicContact CG-CD2 3.99Å; R26-Y45 HydrophobicContact CG-CG 4.07Å; W27-Y45 VanDerWaalsContact O-CA 3.31Å; W27-Y45 WeakPolarHBondContact O-CA 3.42Å; Y28-Y45 HydrophobicContact CD1-CD1 4.34Å; Y28-Y45 AromaticContact CE1-CD1 3.75Å; Y28-Y45 HydrophobicContact CE1-CD1 3.75Å; Y28-Y45 HydrophobicContact CE1-CG 4.24Å; Y45-R47 HydrophobicContact CD2-CG 4.14Å; Y45-M63 VanDerWaalsContact O-CE 3.26Å; Y45-M63 WeakPolarHBondContact O-CE 3.34Å
46I98.3Very high94.2Very high1 Ų170.7 Ų70.71%0.00539%0.393CS..EExtended strand (participates in β ladder)trans-124.6149.5164.756.1178.8000108.8W27 L29 M63 I76 I78 F100W27-I46 HydrophobicContact CB-CG1 3.9Å; W27-I46 PolarHBondContact N-O 3.16Å; W27-I46 PolarHBondContact O-N 3.01Å; L29-I46 HydrophobicContact CD1-CD1 3.76Å; L29-I46 HydrophobicContact CD1-CG1 4.05Å; I46-M63 HydrophobicContact CG2-CB 3.59Å; I46-M63 HydrophobicContact CG2-CE 3.61Å; I46-M63 HydrophobicContact CG2-CG 4.43Å; I46-M63 HydrophobicContact CG2-SD 4.1Å; I46-I76 HydrophobicContact CD1-CD1 4.24Å; I46-I76 HydrophobicContact CD1-CG1 4.34Å; I46-I76 HydrophobicContact CD1-CG2 3.99Å; I46-I76 HydrophobicContact CG2-CG2 4.22Å; I46-I78 HydrophobicContact CB-CD1 4.3Å; I46-I78 HydrophobicContact CD1-CD1 4.2Å; I46-I78 HydrophobicContact CD1-CG1 3.69Å; I46-I78 HydrophobicContact CG1-CD1 3.94Å; I46-I78 HydrophobicContact CG1-CG1 4.01Å; I46-F100 HydrophobicContact CD1-CD1 3.95Å; I46-F100 HydrophobicContact CD1-CE1 3.84Å
47R98.2Very high93.2Very high50 Ų5072.1 Ų72.119%0.18942%0.416CS..  trans-130.5158-178.8-58.9175.6-68.7174.82.7109.9D24 F25 R26 Y45 M49 D50D24-R47 WeakPolarHBondContact O-CD 3.4Å; F25-R47 WeakPolarHBondContact O-CG 3.44Å; R26-R47 HydrophobicContact CG-CG 3.96Å; Y45-R47 HydrophobicContact CD2-CG 4.14Å; R47-M49 VanDerWaalsContact C-N 3.32Å; R47-M49 HydrophobicContact CB-CG 3.96Å; R47-D50 WeakPolarHBondContact CB-OD2 3.37Å; R47-D50 IonicContact CZ-OD1 3.44Å; R47-D50 IonicContact CZ-OD2 2.72Å; R47-D50 IonicContact NE-OD1 3.22Å; R47-D50 IonicContact NE-OD2 2.8Å; R47-D50 PolarHBondContact NE-OD2 3.4Å; R47-D50 VanDerWaalsContact NH2-CG 3.35Å; R47-D50 IonicContact NH2-OD1 3.26Å; R47-D50 PolarHBondContact NH2-OD1 3.48Å; R47-D50 IonicContact NH2-OD2 3.6Å; R47-D50 PolarHBondContact NH2-OD2 3.33Å; R47-D50 VanDerWaalsContact NH2-OD2 3.16Å; R47-D50 PolarHBondContact O-N 2.82Å
48L96.1Very high92.3Very high54 Ų5477.7 Ų77.728%0.28343%0.426SS..SBendtrans-66.8-37.7175.4-76.3172.9000111.7E23 D50 I78 I83E23-L48 HydrophobicContact CB-CB 4.23Å; E23-L48 PolarHBondContact O-N 2.83Å; E23-L48 VanDerWaalsContact O-N 3.12Å; L48-D50 PolarHBondContact O-N 3.25Å; L48-I78 HydrophobicContact CD2-CB 3.83Å; L48-I78 HydrophobicContact CD2-CD1 4.32Å; L48-I78 HydrophobicContact CD2-CG2 3.56Å; L48-I78 HydrophobicContact CG-CD1 4.37Å; L48-I78 HydrophobicContact CG-CG2 4.32Å; L48-I83 HydrophobicContact CD1-CD1 3.71Å; L48-I83 HydrophobicContact CD2-CD1 4.38Å; L48-I83 HydrophobicContact CG-CD1 4.38Å
49M95.4Very high91.8Very high100 Ų10076.9 Ų76.949%0.49344%0.435SS..SBendtrans-66.9-20.6179.270.4180-51.800113.4E23 D24 R47E23-M49 HydrophobicContact CB-CB 3.97Å; E23-M49 PolarHBondContact O-N 3.02Å; D24-M49 HydrophobicContact CB-SD 3.54Å; D24-M49 VanDerWaalsContact CB-SD 3.54Å; R47-M49 VanDerWaalsContact C-N 3.32Å; R47-M49 HydrophobicContact CB-CG 3.96Å
50D94.4Very high91.4Very high46 Ų4674.9 Ų74.925%0.24643%0.428CS..  trans-80.3121.1176.5-66.3-37.2000108.5R47 L48 S62R47-D50 WeakPolarHBondContact CB-OD2 3.37Å; R47-D50 IonicContact CZ-OD1 3.44Å; R47-D50 IonicContact CZ-OD2 2.72Å; R47-D50 IonicContact NE-OD1 3.22Å; R47-D50 IonicContact NE-OD2 2.8Å; R47-D50 PolarHBondContact NE-OD2 3.4Å; R47-D50 VanDerWaalsContact NH2-CG 3.35Å; R47-D50 IonicContact NH2-OD1 3.26Å; R47-D50 PolarHBondContact NH2-OD1 3.48Å; R47-D50 IonicContact NH2-OD2 3.6Å; R47-D50 PolarHBondContact NH2-OD2 3.33Å; R47-D50 VanDerWaalsContact NH2-OD2 3.16Å; R47-D50 PolarHBondContact O-N 2.82Å; L48-D50 PolarHBondContact O-N 3.25Å; D50-S62 WeakPolarHBondContact O-CA 3.26Å
51S90.1Very high91.3Very high84 Ų8473.9 Ų73.959%0.58742%0.422SS*.  trans-139.6118.7176.7-174.60000110.5S60S51-S60 VanDerWaalsContact OG-CB 3.24Å; S51-S60 WeakPolarHBondContact OG-CB 3.42Å
52V91.8Very high91.3Very high68 Ų6868.4 Ų68.441%0.41239%0.393SS..EExtended strand (participates in β ladder)trans-115.3122.7-179.6-174.60000108.9L54 S60 A61 V64V52-L54 PolarHBondContact O-N 2.77Å; V52-S60 CarbonylContact O-C 3.49Å; V52-S60 WeakPolarHBondContact O-CA 3.26Å; V52-A61 PolarHBondContact N-O 3.11Å; V52-A61 PolarHBondContact O-N 3.01Å; V52-V64 HydrophobicContact CB-CG2 4.05Å; V52-V64 HydrophobicContact CG1-CB 4.35Å; V52-V64 HydrophobicContact CG1-CG2 3.87Å
53A87.3Confident91.3Very high90 Ų9062.1 Ų62.174%0.74437%0.367SS*.EExtended strand (participates in β ladder)trans-64.4129.9178.200000111.5
54L87.3Confident91.3Very high20 Ų2060.2 Ų60.211%0.10537%0.365CS..PPolyproline II helixtrans-82.5140.5175.9-61.6178.5000111.1V52 G56 R58 G59 A61 V64V52-L54 PolarHBondContact O-N 2.77Å; L54-G56 PolarHBondContact O-N 2.94Å; L54-R58 HydrophobicContact CB-CB 4.1Å; L54-R58 HydrophobicContact CD1-CB 4.39Å; L54-G59 WeakPolarHBondContact CB-O 3.06Å; L54-G59 PolarHBondContact N-O 3.14Å; L54-A61 HydrophobicContact CD1-CB 4.38Å; L54-A61 HydrophobicContact CD2-CB 3.87Å; L54-A61 HydrophobicContact CG-CB 4.24Å; L54-V64 HydrophobicContact CD2-CG2 3.56Å
55K83.3Confident91.1Very high134 Ų13460.7 Ų60.758%0.58337%0.367SS*.THydrogen-bonded Turntrans-60.1138.4176.3-67.9172.6-175.4151.80111.4R58 E73K55-R58 PolarHBondContact O-NE 3.1Å; K55-R58 PolarHBondContact O-NH2 2.82Å; K55-R58 VanDerWaalsContact O-NH2 3.11Å; K55-E73 IonicContact NZ-OE1 3.5Å; K55-E73 IonicContact NZ-OE2 2.7Å; K55-E73 PolarHBondContact NZ-OE2 2.86Å
56G81.1Confident91.1Very high76 Ų7662.9 Ų62.978%0.78438%0.378SS*.THydrogen-bonded Turntrans79.927.617500000114.4L54 R58L54-G56 PolarHBondContact O-N 2.94Å; G56-R58 VanDerWaalsContact C-N 3.29Å; G56-R58 PolarHBondContact O-N 2.9Å
57G76.6Confident91Very high79 Ų7963.3 Ų63.381%0.81438%0.381SS*.THydrogen-bonded Turntrans70.123173.900000114.3G59G57-G59 PolarHBondContact O-N 2.92Å
58R80.2Confident90.9Very high150 Ų15069.8 Ų69.857%0.56641%0.411SS*.  trans-84.915.1-172.5-73.5-176-75.4178.2-3.1114.6L54 K55 G56 R103L54-R58 HydrophobicContact CB-CB 4.1Å; L54-R58 HydrophobicContact CD1-CB 4.39Å; K55-R58 PolarHBondContact O-NE 3.1Å; K55-R58 PolarHBondContact O-NH2 2.82Å; K55-R58 VanDerWaalsContact O-NH2 3.11Å; G56-R58 VanDerWaalsContact C-N 3.29Å; G56-R58 PolarHBondContact O-N 2.9Å; R58-R103 PolarHBondContact O-NH1 3.06Å
59G86.1Confident91Very high48 Ų4872.6 Ų72.650%0.49543%0.425SS..  trans95.7-159.7-175.600000113.6L54 G57L54-G59 WeakPolarHBondContact CB-O 3.06Å; L54-G59 PolarHBondContact N-O 3.14Å; G57-G59 PolarHBondContact O-N 2.92Å
60S90.1Very high91.1Very high37 Ų3769.8 Ų69.826%0.25942%0.415SS..EExtended strand (participates in β ladder)trans-104.7172.5173.244.60000111.2S51 V52 E77S51-S60 VanDerWaalsContact OG-CB 3.24Å; S51-S60 WeakPolarHBondContact OG-CB 3.42Å; V52-S60 CarbonylContact O-C 3.49Å; V52-S60 WeakPolarHBondContact O-CA 3.26Å; S60-E77 PolarHBondContact OG-OE1 3.01Å
61A94.6Very high91.2Very high2 Ų270.1 Ų70.12%0.01743%0.425CS..EExtended strand (participates in β ladder)trans-148.7150.7164.500000110V52 L54 M63 V64 E77V52-A61 PolarHBondContact N-O 3.11Å; V52-A61 PolarHBondContact O-N 3.01Å; L54-A61 HydrophobicContact CD1-CB 4.38Å; L54-A61 HydrophobicContact CD2-CB 3.87Å; L54-A61 HydrophobicContact CG-CB 4.24Å; A61-M63 PolarHBondContact O-N 2.88Å; A61-V64 HydrophobicContact CB-CG2 4.2Å; A61-E77 HydrophobicContact CB-CB 4.46Å
62S95.8Very high91.5Very high10 Ų1070 Ų707%0.0741%0.411CS..SBendtrans-66.8-28.1175.2-52.40000112.5D50 I76 I78D50-S62 WeakPolarHBondContact O-CA 3.26Å; S62-I76 PolarHBondContact N-O 3.16Å; S62-I78 PolarHBondContact OG-N 3.17Å
63M97.1Very high91.7Very high37 Ų3771.2 Ų71.218%0.18241%0.412CS..EExtended strand (participates in β ladder)trans-150.1140.4172.6178-174.3-76.300111.3M31 Q44 Y45 I46 A61 Q65 S75 I76M31-M63 HydrophobicContact CE-CE 4.27Å; M31-M63 HydrophobicContact CE-SD 3.72Å; M31-M63 HydrophobicContact SD-SD 4.42Å; Q44-M63 HydrophobicContact CB-CE 4.38Å; Y45-M63 VanDerWaalsContact O-CE 3.26Å; Y45-M63 WeakPolarHBondContact O-CE 3.34Å; I46-M63 HydrophobicContact CG2-CB 3.59Å; I46-M63 HydrophobicContact CG2-CE 3.61Å; I46-M63 HydrophobicContact CG2-CG 4.43Å; I46-M63 HydrophobicContact CG2-SD 4.1Å; A61-M63 PolarHBondContact O-N 2.88Å; M63-Q65 HydrophobicContact SD-CG 4.49Å; M63-S75 WeakPolarHBondContact O-CA 3.33Å; M63-S75 WeakPolarHBondContact O-CB 3.25Å; M63-I76 HydrophobicContact CB-CG2 4.11Å; M63-I76 PolarHBondContact N-O 2.91Å; M63-I76 VanDerWaalsContact N-O 3.09Å; M63-I76 PolarHBondContact O-N 3.31Å
64V96.6Very high92.2Very high45 Ų4567.1 Ų67.127%0.27338%0.378SS..EExtended strand (participates in β ladder)trans-122.4127.8167.8-177.50000108V52 L54 A61 E73 N74V52-V64 HydrophobicContact CB-CG2 4.05Å; V52-V64 HydrophobicContact CG1-CB 4.35Å; V52-V64 HydrophobicContact CG1-CG2 3.87Å; L54-V64 HydrophobicContact CD2-CG2 3.56Å; A61-V64 HydrophobicContact CB-CG2 4.2Å; V64-E73 HydrophobicContact CG1-CG 3.73Å; V64-N74 WeakPolarHBondContact CA-O 3.38Å
65Q95.3Very high92.7Very high49 Ų4966.5 Ų66.523%0.22938%0.375CS..EExtended strand (participates in β ladder)trans-144.7151.317665.6169.4-42.900113.5M63 N74 L105M63-Q65 HydrophobicContact SD-CG 4.49Å; Q65-N74 PolarHBondContact N-O 3.39Å; Q65-N74 PolarHBondContact O-N 2.9Å; Q65-L105 HydrophobicContact CG-CD2 3.89Å
66K96.7Very high93.3Very high141 Ų14160.1 Ų60.161%0.61335%0.348SS*.EExtended strand (participates in β ladder)trans-88.7125.5174.2-165179-179.8-178.60109.4K68 A71K66-K68 PolarHBondContact O-N 3Å; K66-A71 WeakPolarHBondContact CE-O 3.36Å; K66-A71 WeakPolarHBondContact CG-O 3.15Å
67C97.5Very high94.1Very high10 Ų1058.5 Ų58.57%0.06832%0.32CS..  trans-59.5128.4174.7175.70000110C33 C36 L69 A71 R72C33-C67 HydrophobicContact CB-CB 4.37Å; C36-C67 PolarHBondContact SG-SG 3.47Å; C67-L69 PolarHBondContact O-N 3.01Å; C67-L69 PolarHBondContact SG-N 2.88Å; C67-A71 VanDerWaalsContact O-CA 3.22Å; C67-A71 WeakPolarHBondContact O-CA 3.49Å; C67-A71 PolarHBondContact O-N 3.01Å; C67-R72 PolarHBondContact N-O 3.25Å
68K95.8Very high95.2Very high185 Ų18555.2 Ų55.280%0.80428%0.283SS*.THydrogen-bonded Turntrans-64.5-28.7-178.9-67.4179.2-179.1176.90113.2K66K66-K68 PolarHBondContact O-N 3Å
69L97.1Very high96Very high113 Ų11349.5 Ų49.559%0.59226%0.264SS*.THydrogen-bonded Turntrans-86.6-59.9-179.3-177.660.4000112.6C36 E38 C67C36-L69 HydrophobicContact CB-CD2 4.19Å; E38-L69 HydrophobicContact CB-CB 4.17Å; E38-L69 HydrophobicContact CB-CD2 4.29Å; E38-L69 HydrophobicContact CG-CB 4.2Å; C67-L69 PolarHBondContact O-N 3.01Å; C67-L69 PolarHBondContact SG-N 2.88Å
70C98Very high96.4Very high42 Ų4251 Ų5128%0.28427%0.267SS..THydrogen-bonded Turntrans-993.5-172.273.20000114.9C36 R72C36-C70 HydrophobicContact CB-CB 3.86Å; C36-C70 PolarHBondContact SG-SG 2.98Å; C70-R72 PolarHBondContact O-N 2.8Å
71A97.6Very high96.8Very high53 Ų5353.9 Ų53.944%0.43829%0.287SS..  trans61.24.1179.800000116.1K66 C67 E73K66-A71 WeakPolarHBondContact CE-O 3.36Å; K66-A71 WeakPolarHBondContact CG-O 3.15Å; C67-A71 VanDerWaalsContact O-CA 3.22Å; C67-A71 WeakPolarHBondContact O-CA 3.49Å; C67-A71 PolarHBondContact O-N 3.01Å; A71-E73 PolarHBondContact O-N 2.82Å
72R96.6Very high96.9Very high80 Ų8054.8 Ų54.830%0.30229%0.292SS..  trans-67.5132177.4-163.8173.581.3-178.43.1110.7G34 N35 C67 C70 N74 G104G34-R72 VanDerWaalsContact C-NH2 3.32Å; N35-R72 VanDerWaalsContact CB-NH1 3.25Å; N35-R72 VanDerWaalsContact N-NH2 3.17Å; N35-R72 PolarHBondContact OD1-NH1 3.26Å; C67-R72 PolarHBondContact N-O 3.25Å; C70-R72 PolarHBondContact O-N 2.8Å; R72-N74 PolarHBondContact NE-OD1 2.91Å; R72-N74 PolarHBondContact NH2-OD1 2.89Å; R72-N74 PolarHBondContact O-ND2 3.24Å; R72-G104 PolarHBondContact NH2-O 3.12Å
73E96Very high97.1Very high94 Ų9456.3 Ų56.344%0.43930%0.299SS..EExtended strand (participates in β ladder)trans-74.1124.7169.8-167.5176.792.800108.5K55 V64 A71K55-E73 IonicContact NZ-OE1 3.5Å; K55-E73 IonicContact NZ-OE2 2.7Å; K55-E73 PolarHBondContact NZ-OE2 2.86Å; V64-E73 HydrophobicContact CG1-CG 3.73Å; A71-E73 PolarHBondContact O-N 2.82Å
74N96.8Very high97.1Very high4 Ų459.6 Ų59.62%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-128.9158.3178.2-46.8-78.1000109.4V64 Q65 R72 R103 G104 L105V64-N74 WeakPolarHBondContact CA-O 3.38Å; Q65-N74 PolarHBondContact N-O 3.39Å; Q65-N74 PolarHBondContact O-N 2.9Å; R72-N74 PolarHBondContact NE-OD1 2.91Å; R72-N74 PolarHBondContact NH2-OD1 2.89Å; R72-N74 PolarHBondContact O-ND2 3.24Å; N74-R103 WeakPolarHBondContact CA-O 3.23Å; N74-R103 WeakPolarHBondContact CB-O 3.41Å; N74-G104 PolarHBondContact OD1-O 2.9Å; N74-G104 VanDerWaalsContact OD1-O 3.09Å; N74-L105 HydrophobicContact CB-CB 3.74Å; N74-L105 HydrophobicContact CB-CD1 4.5Å
75S97.1Very high97.2Very high7 Ų759.2 Ų59.25%0.04931%0.311CS..EExtended strand (participates in β ladder)trans-143.6160.7176.371.90000112.4M63 R103M63-S75 WeakPolarHBondContact O-CA 3.33Å; M63-S75 WeakPolarHBondContact O-CB 3.25Å; S75-R103 PolarHBondContact N-O 2.7Å; S75-R103 CarbonylContact O-C 3.55Å; S75-R103 WeakPolarHBondContact O-CA 3.31Å; S75-R103 PolarHBondContact O-N 3.04Å; S75-R103 WeakPolarHBondContact OG-CB 3.36Å
76I97.8Very high97.4Very high0 Ų056.9 Ų56.90%030%0.3CS..EExtended strand (participates in β ladder)trans-140.7139175-170.6169.4000108.8M31 I46 S62 M63 F100 E101 L105 P107M31-I76 HydrophobicContact SD-CG2 4.04Å; I46-I76 HydrophobicContact CD1-CD1 4.24Å; I46-I76 HydrophobicContact CD1-CG1 4.34Å; I46-I76 HydrophobicContact CD1-CG2 3.99Å; I46-I76 HydrophobicContact CG2-CG2 4.22Å; S62-I76 PolarHBondContact N-O 3.16Å; M63-I76 HydrophobicContact CB-CG2 4.11Å; M63-I76 PolarHBondContact N-O 2.91Å; M63-I76 VanDerWaalsContact N-O 3.09Å; M63-I76 PolarHBondContact O-N 3.31Å; I76-F100 HydrophobicContact CD1-CB 3.93Å; I76-F100 HydrophobicContact CD1-CD1 4.2Å; I76-F100 HydrophobicContact CD1-CG 4.09Å; I76-F100 HydrophobicContact CG1-CB 3.94Å; I76-F100 HydrophobicContact CG1-CD1 4.4Å; I76-F100 HydrophobicContact CG1-CG 4.44Å; I76-E101 WeakPolarHBondContact CA-O 3.48Å; I76-L105 HydrophobicContact CB-CD2 4.46Å; I76-L105 HydrophobicContact CG2-CD2 4.14Å; I76-P107 HydrophobicContact CD1-CG 4.31Å
77E97.7Very high97.5Very high43 Ų4351.4 Ų51.420%0.20128%0.278CS..EExtended strand (participates in β ladder)trans-125.5133.8178.5-172.5169.3-140.700110S60 A61 F100 E101S60-E77 PolarHBondContact OG-OE1 3.01Å; A61-E77 HydrophobicContact CB-CB 4.46Å; E77-F100 CarbonylContact O-C 3.58Å; E77-F100 VanDerWaalsContact O-CA 3.27Å; E77-F100 WeakPolarHBondContact O-CA 3.13Å; E77-E101 HydrophobicContact CB-CB 4.35Å; E77-E101 PolarHBondContact N-O 3.36Å; E77-E101 PolarHBondContact O-N 3.27Å
78I98.2Very high97.6Very high9 Ų952.8 Ų52.85%0.04629%0.29CS..EExtended strand (participates in β ladder)trans-78.9127.5171.6-54164.4000108.1W27 I46 L48 S62 S80 I83 V98 F100W27-I78 HydrophobicContact CG-CD1 4.47Å; I46-I78 HydrophobicContact CB-CD1 4.3Å; I46-I78 HydrophobicContact CD1-CD1 4.2Å; I46-I78 HydrophobicContact CD1-CG1 3.69Å; I46-I78 HydrophobicContact CG1-CD1 3.94Å; I46-I78 HydrophobicContact CG1-CG1 4.01Å; L48-I78 HydrophobicContact CD2-CB 3.83Å; L48-I78 HydrophobicContact CD2-CD1 4.32Å; L48-I78 HydrophobicContact CD2-CG2 3.56Å; L48-I78 HydrophobicContact CG-CD1 4.37Å; L48-I78 HydrophobicContact CG-CG2 4.32Å; S62-I78 PolarHBondContact OG-N 3.17Å; I78-S80 PolarHBondContact O-N 2.85Å; I78-I83 HydrophobicContact CG2-CD1 4.46Å; I78-V98 HydrophobicContact CG2-CG2 3.79Å; I78-F100 HydrophobicContact CG1-CD1 4.13Å; I78-F100 HydrophobicContact CG1-CE1 4.02Å
79L96.8Very high97.7Very high31 Ų3150.5 Ų50.516%0.16228%0.282CS..  trans-87.692.1176.4-59.4-178000109.8K3 S81 T82 E99 E101K3-L79 HydrophobicContact CD-CD1 4.24Å; L79-S81 VanDerWaalsContact C-N 3.26Å; L79-S81 PolarHBondContact O-N 3.5Å; L79-S81 VanDerWaalsContact O-N 3.12Å; L79-T82 HydrophobicContact CB-CG2 3.64Å; L79-T82 HydrophobicContact CD1-CG2 4.3Å; L79-T82 WeakPolarHBondContact O-CB 3.32Å; L79-T82 PolarHBondContact O-N 3.05Å; L79-T82 PolarHBondContact O-OG1 2.92Å; L79-E99 HydrophobicContact CB-CB 4.47Å; L79-E99 WeakPolarHBondContact CB-O 3.37Å; L79-E99 HydrophobicContact CD1-CB 4.04Å; L79-E99 PolarHBondContact N-O 3.02Å; L79-E101 HydrophobicContact CD2-CB 4.1Å; L79-E101 HydrophobicContact CG-CB 4.46Å
80S96.4Very high97.8Very high80 Ų8046.5 Ų46.556%0.55926%0.261SS*.G310 helixtrans-51.8-39.3-173.262.90000114.5I78 T82 I83I78-S80 PolarHBondContact O-N 2.85Å; S80-T82 PolarHBondContact O-N 2.86Å; S80-T82 VanDerWaalsContact O-N 3.16Å; S80-I83 PolarHBondContact O-N 2.85Å
81S97.1Very high97.8Very high96 Ų9647 Ų4767%0.67126%0.261SS*.G310 helixtrans-66.2-15179.459.20000114.5L79 K84L79-S81 VanDerWaalsContact C-N 3.26Å; L79-S81 PolarHBondContact O-N 3.5Å; L79-S81 VanDerWaalsContact O-N 3.12Å; S81-K84 PolarHBondContact O-NZ 3Å
82T98.1Very high97.8Very high22 Ų2249.4 Ų49.414%0.13526%0.263CS..G310 helixtrans-93.7-5.9-178.871.80000113.1L79 S80 K84 E99L79-T82 HydrophobicContact CB-CG2 3.64Å; L79-T82 HydrophobicContact CD1-CG2 4.3Å; L79-T82 WeakPolarHBondContact O-CB 3.32Å; L79-T82 PolarHBondContact O-N 3.05Å; L79-T82 PolarHBondContact O-OG1 2.92Å; S80-T82 PolarHBondContact O-N 2.86Å; S80-T82 VanDerWaalsContact O-N 3.16Å; T82-K84 PolarHBondContact O-N 3.32Å; T82-E99 HydrophobicContact CG2-CB 3.97Å; T82-E99 HydrophobicContact CG2-CG 4.08Å; T82-E99 WeakPolarHBondContact OG1-CB 3.3Å; T82-E99 PolarHBondContact OG1-N 3.17Å
83I98.6Very high97.9Very high42 Ų4250.3 Ų50.322%0.21527%0.274CS..  trans-67.2125.1177-63172.9000108.9P20 W27 L48 I78 S80 I97 V98P20-I83 HydrophobicContact CG-CG2 3.69Å; W27-I83 HydrophobicContact CZ2-CD1 4.46Å; L48-I83 HydrophobicContact CD1-CD1 3.71Å; L48-I83 HydrophobicContact CD2-CD1 4.38Å; L48-I83 HydrophobicContact CG-CD1 4.38Å; I78-I83 HydrophobicContact CG2-CD1 4.46Å; S80-I83 PolarHBondContact O-N 2.85Å; I83-I97 VanDerWaalsContact CA-O 3.25Å; I83-I97 WeakPolarHBondContact CA-O 3.45Å; I83-V98 HydrophobicContact CG1-CB 4.26Å; I83-V98 HydrophobicContact CG1-CG2 3.78Å
84K98.5Very high98.1Very high105 Ų10549.5 Ų49.546%0.45727%0.269SS..  trans-131.9144.5-179.3-59.9-61168.9-158.30110.7S81 T82 I97S81-K84 PolarHBondContact O-NZ 3Å; T82-K84 PolarHBondContact O-N 3.32Å; K84-I97 PolarHBondContact N-O 2.89Å
85P98.7Very high98.2Very high37 Ų3751.5 Ų51.524%0.2428%0.278CS..  trans-70.5156.4172.831.7-35.5000111.1N17 L18 R19 K95N17-P85 WeakPolarHBondContact OD1-CB 3.23Å; L18-P85 CarbonylContact O-C 3.6Å; L18-P85 VanDerWaalsContact O-CA 3.32Å; L18-P85 WeakPolarHBondContact O-CA 3.32Å; R19-P85 HydrophobicContact CB-CB 4.16Å; P85-K95 WeakPolarHBondContact O-CE 3.43Å; P85-K95 PolarHBondContact O-NZ 3.41Å
86Y98.9Very high98.2Very high0 Ų053.1 Ų53.10%029%0.287CS..BIsolated β-bridgetrans-101.5116.6166.8-169.3-90.8000108.1L8 A10 L12 N17 L18 D90 E92 N93 K95L8-Y86 HydrophobicContact CB-CD2 4.37Å; L8-Y86 HydrophobicContact CD2-CD2 4.48Å; L8-Y86 HydrophobicContact CD2-CG 4.33Å; L8-Y86 WeakPolarHBondContact O-CE2 3.35Å; A10-Y86 HydrophobicContact CB-CE1 4.29Å; A10-Y86 PolarHBondContact N-OH 3.05Å; A10-Y86 PolarHBondContact O-OH 2.98Å; L12-Y86 HydrophobicContact CD1-CD1 3.78Å; L12-Y86 HydrophobicContact CD1-CE1 3.74Å; L12-Y86 HydrophobicContact CD2-CD1 4.22Å; L12-Y86 HydrophobicContact CD2-CE1 4.13Å; L12-Y86 HydrophobicContact CG-CD1 4.28Å; L12-Y86 HydrophobicContact CG-CE1 3.93Å; N17-Y86 PolarHBondContact N-O 2.81Å; L18-Y86 WeakPolarHBondContact CB-O 3.46Å; L18-Y86 PolarHBondContact N-O 2.85Å; L18-Y86 PolarHBondContact O-N 3.04Å; Y86-D90 HydrophobicContact CD1-CB 4.49Å; Y86-D90 HydrophobicContact CD2-CB 4Å; Y86-D90 HydrophobicContact CE1-CB 4.32Å; Y86-D90 HydrophobicContact CE2-CB 3.81Å; Y86-D90 HydrophobicContact CG-CB 4.34Å; Y86-D90 PolarHBondContact OH-O 3.2Å; Y86-E92 PolarHBondContact OH-N 2.86Å; Y86-N93 WeakPolarHBondContact CE2-O 3.22Å; Y86-N93 PolarHBondContact OH-O 3.42Å; Y86-N93 VanDerWaalsContact OH-O 3.09Å; Y86-K95 HydrophobicContact CD2-CB 3.95Å; Y86-K95 HydrophobicContact CD2-CD 4.36Å; Y86-K95 HydrophobicContact CE2-CB 4.07Å
87N98.8Very high98.3Very high27 Ų2753.2 Ų53.214%0.14429%0.288CS..  trans-108.3170.3-169.3-61.4-32.4000111.5L12 N17 E89 D90L12-N87 WeakPolarHBondContact CD1-O 3.39Å; N17-N87 WeakPolarHBondContact CA-OD1 3.4Å; N17-N87 PolarHBondContact N-OD1 2.88Å; N87-E89 HydrophobicContact CB-CG 4.28Å; N87-E89 VanDerWaalsContact CB-OE1 3.3Å; N87-E89 WeakPolarHBondContact CB-OE1 3.38Å; N87-E89 VanDerWaalsContact CB-OE2 3.24Å; N87-E89 WeakPolarHBondContact CB-OE2 3.15Å; N87-E89 PolarHBondContact ND2-OE1 2.89Å; N87-E89 PolarHBondContact O-N 3Å; N87-D90 WeakPolarHBondContact CB-OD2 3.32Å; N87-D90 PolarHBondContact N-OD2 3.25Å; N87-D90 WeakPolarHBondContact O-CB 3.4Å; N87-D90 PolarHBondContact O-N 2.92Å
88A98.6Very high98.3Very high39 Ų3951.2 Ų51.232%0.32228%0.278SS..G310 helixtrans-54.7-37.2174.800000113T16 D90 N91 V121T16-A88 PolarHBondContact OG1-N 2.85Å; T16-A88 VanDerWaalsContact OG1-N 3.15Å; A88-D90 PolarHBondContact O-N 2.9Å; A88-N91 VanDerWaalsContact O-CB 3.28Å; A88-N91 WeakPolarHBondContact O-CB 3.34Å; A88-N91 PolarHBondContact O-N 2.87Å; A88-V121 HydrophobicContact CB-CG2 4.17Å
89E98.5Very high98.4Very high137 Ų13753 Ų5364%0.6429%0.286SS*.G310 helixtrans-67.8-16.7176.266.5-90.4-167.700114.4N87 N91N87-E89 HydrophobicContact CB-CG 4.28Å; N87-E89 VanDerWaalsContact CB-OE1 3.3Å; N87-E89 WeakPolarHBondContact CB-OE1 3.38Å; N87-E89 VanDerWaalsContact CB-OE2 3.24Å; N87-E89 WeakPolarHBondContact CB-OE2 3.15Å; N87-E89 PolarHBondContact ND2-OE1 2.89Å; N87-E89 PolarHBondContact O-N 3Å; E89-N91 VanDerWaalsContact C-N 3.34Å
90D98.6Very high98.4Very high28 Ų2851.5 Ų51.515%0.1528%0.278CS..G310 helixtrans-90.5-2.5179.2-51.5-57.6000112.5Y86 N87 A88 E92 N93 K95Y86-D90 HydrophobicContact CD1-CB 4.49Å; Y86-D90 HydrophobicContact CD2-CB 4Å; Y86-D90 HydrophobicContact CE1-CB 4.32Å; Y86-D90 HydrophobicContact CE2-CB 3.81Å; Y86-D90 HydrophobicContact CG-CB 4.34Å; Y86-D90 PolarHBondContact OH-O 3.2Å; N87-D90 WeakPolarHBondContact CB-OD2 3.32Å; N87-D90 PolarHBondContact N-OD2 3.25Å; N87-D90 WeakPolarHBondContact O-CB 3.4Å; N87-D90 PolarHBondContact O-N 2.92Å; A88-D90 PolarHBondContact O-N 2.9Å; D90-E92 PolarHBondContact O-N 3.1Å; D90-N93 WeakPolarHBondContact O-CB 3.44Å; D90-N93 PolarHBondContact O-N 3.44Å; D90-K95 HydrophobicContact CB-CD 3.99Å; D90-K95 VanDerWaalsContact OD1-CD 3.28Å; D90-K95 WeakPolarHBondContact OD1-CD 3.41Å; D90-K95 IonicContact OD1-NZ 2.92Å; D90-K95 PolarHBondContact OD1-NZ 2.61Å; D90-K95 WeakPolarHBondContact OD2-CD 3.37Å; D90-K95 WeakPolarHBondContact OD2-CE 3.48Å; D90-K95 IonicContact OD2-NZ 3.41Å; D90-K95 PolarHBondContact OD2-NZ 2.89Å
91N98.4Very high98.5Very high52 Ų5249.4 Ų49.428%0.27826%0.26SS..THydrogen-bonded Turntrans-45.6134.1-173.1-17341.1000112.6A10 S11 L12 A88 E89 N93A10-N91 PolarHBondContact O-OD1 3.12Å; S11-N91 VanDerWaalsContact CA-OD1 3.31Å; S11-N91 WeakPolarHBondContact CA-OD1 3.14Å; L12-N91 PolarHBondContact N-OD1 2.96Å; A88-N91 VanDerWaalsContact O-CB 3.28Å; A88-N91 WeakPolarHBondContact O-CB 3.34Å; A88-N91 PolarHBondContact O-N 2.87Å; E89-N91 VanDerWaalsContact C-N 3.34Å; N91-N93 PolarHBondContact O-N 3.2Å; N91-N93 PolarHBondContact O-ND2 3.38Å
92E98.6Very high98.5Very high104 Ų10445 Ų4549%0.48623%0.229SC..THydrogen-bonded Turntrans5712-177.7-61.4-179.9-162.700116.6K9 A10 Y86 D90K9-E92 VanDerWaalsContact CD-O 3.26Å; K9-E92 WeakPolarHBondContact CD-O 3.31Å; K9-E92 WeakPolarHBondContact CE-O 3.28Å; K9-E92 PolarHBondContact NZ-O 2.84Å; A10-E92 PolarHBondContact O-N 3.07Å; Y86-E92 PolarHBondContact OH-N 2.86Å; D90-E92 PolarHBondContact O-N 3.1Å
93N98.8Very high98.4Very high100 Ų10046.8 Ų46.854%0.53523%0.233SC..SBendtrans-112.7149.4177.8-64.7-68.2000111.6Y86 D90 N91 K95Y86-N93 WeakPolarHBondContact CE2-O 3.22Å; Y86-N93 PolarHBondContact OH-O 3.42Å; Y86-N93 VanDerWaalsContact OH-O 3.09Å; D90-N93 WeakPolarHBondContact O-CB 3.44Å; D90-N93 PolarHBondContact O-N 3.44Å; N91-N93 PolarHBondContact O-N 3.2Å; N91-N93 PolarHBondContact O-ND2 3.38Å; N93-K95 PolarHBondContact O-N 3.26Å
94F98.8Very high98.3Very high77 Ų7745.7 Ų45.734%0.33823%0.233SC..  trans-74.4122.3170.8-79-69.6000110.5Q7 L8 K9 T154 Q156Q7-F94 HydrophobicContact CB-CB 4.19Å; Q7-F94 HydrophobicContact CB-CD1 4.13Å; L8-F94 WeakPolarHBondContact O-CA 3.3Å; K9-F94 HydrophobicContact CB-CD1 3.57Å; K9-F94 HydrophobicContact CB-CD2 4.5Å; K9-F94 HydrophobicContact CB-CE1 3.65Å; K9-F94 HydrophobicContact CB-CG 4.03Å; K9-F94 HydrophobicContact CB-CZ 4.17Å; K9-F94 HydrophobicContact CD-CD2 4.34Å; K9-F94 HydrophobicContact CD-CE2 4.18Å; K9-F94 HydrophobicContact CD-CZ 4.34Å; F94-T154 HydrophobicContact CE1-CG2 3.99Å; F94-T154 HydrophobicContact CZ-CG2 3.94Å; F94-Q156 HydrophobicContact CD1-CB 4.45Å; F94-Q156 HydrophobicContact CD1-CG 3.64Å; F94-Q156 HydrophobicContact CD2-CG 4.43Å; F94-Q156 HydrophobicContact CE1-CB 4.09Å; F94-Q156 HydrophobicContact CE1-CG 3.76Å; F94-Q156 HydrophobicContact CG-CG 3.99Å; F94-Q156 HydrophobicContact CZ-CB 4.38Å; F94-Q156 HydrophobicContact CZ-CG 4.21Å
95K98.8Very high98.2Very high46 Ų4641 Ų4120%0.221%0.213CC..EExtended strand (participates in β ladder)trans-127.9134.8174.7171.7173-176.7-176.30111.2Q7 L8 P85 Y86 D90 N93 I97Q7-K95 CarbonylContact C-O 3.52Å; Q7-K95 WeakPolarHBondContact CA-O 3.38Å; L8-K95 PolarHBondContact N-O 3.41Å; L8-K95 PolarHBondContact O-N 3.18Å; P85-K95 WeakPolarHBondContact O-CE 3.43Å; P85-K95 PolarHBondContact O-NZ 3.41Å; Y86-K95 HydrophobicContact CD2-CB 3.95Å; Y86-K95 HydrophobicContact CD2-CD 4.36Å; Y86-K95 HydrophobicContact CE2-CB 4.07Å; D90-K95 HydrophobicContact CB-CD 3.99Å; D90-K95 VanDerWaalsContact OD1-CD 3.28Å; D90-K95 WeakPolarHBondContact OD1-CD 3.41Å; D90-K95 IonicContact OD1-NZ 2.92Å; D90-K95 PolarHBondContact OD1-NZ 2.61Å; D90-K95 WeakPolarHBondContact OD2-CD 3.37Å; D90-K95 WeakPolarHBondContact OD2-CE 3.48Å; D90-K95 IonicContact OD2-NZ 3.41Å; D90-K95 PolarHBondContact OD2-NZ 2.89Å; N93-K95 PolarHBondContact O-N 3.26Å; K95-I97 PolarHBondContact O-N 2.96Å
96T98.8Very high98.2Very high40 Ų4042.1 Ų42.125%0.24522%0.215CC..EExtended strand (participates in β ladder)trans-62.6118.6171.6-55.30000110.6A5 L6 Q7 E99A5-T96 HydrophobicContact CB-CG2 3.66Å; L6-T96 WeakPolarHBondContact O-CA 3.45Å; Q7-T96 PolarHBondContact NE2-OG1 3.33Å; Q7-T96 VanDerWaalsContact NE2-OG1 3.11Å; T96-E99 HydrophobicContact CG2-CG 4.14Å
97I98.7Very high98.2Very high3 Ų342.3 Ų42.32%0.01522%0.216CC..EExtended strand (participates in β ladder)trans-104.3-19.717759.5160.9000112.8L6 L8 W27 I83 K84 K95L6-I97 HydrophobicContact CD2-CD1 4.45Å; L6-I97 HydrophobicContact CG-CG1 4.33Å; L6-I97 PolarHBondContact O-N 3.26Å; L8-I97 HydrophobicContact CB-CD1 3.97Å; L8-I97 HydrophobicContact CB-CG1 4.18Å; L8-I97 HydrophobicContact CB-CG2 3.79Å; L8-I97 HydrophobicContact CD1-CD1 4.42Å; L8-I97 HydrophobicContact CD2-CD1 4.41Å; W27-I97 HydrophobicContact CH2-CD1 4.04Å; W27-I97 HydrophobicContact CH2-CG1 4.49Å; W27-I97 HydrophobicContact CZ3-CD1 3.87Å; I83-I97 VanDerWaalsContact CA-O 3.25Å; I83-I97 WeakPolarHBondContact CA-O 3.45Å; K84-I97 PolarHBondContact N-O 2.89Å; K95-I97 PolarHBondContact O-N 2.96Å
98V98.8Very high98.1Very high0 Ų043.9 Ų43.90%023%0.226CC..EExtended strand (participates in β ladder)trans-161.9151.2174.966.40000110.7L6 W27 I78 I83 F100L6-V98 HydrophobicContact CB-CG1 3.87Å; L6-V98 HydrophobicContact CD2-CG1 3.94Å; L6-V98 HydrophobicContact CG-CG1 4.35Å; L6-V98 PolarHBondContact N-O 3.26Å; W27-V98 HydrophobicContact CD2-CG1 4.38Å; W27-V98 HydrophobicContact CE3-CG1 3.93Å; W27-V98 HydrophobicContact CH2-CB 3.72Å; W27-V98 HydrophobicContact CH2-CG1 3.45Å; W27-V98 VanDerWaalsContact CH2-CG1 3.45Å; W27-V98 HydrophobicContact CH2-CG2 4.37Å; W27-V98 HydrophobicContact CZ2-CB 3.91Å; W27-V98 HydrophobicContact CZ2-CG1 3.93Å; W27-V98 HydrophobicContact CZ2-CG2 4.06Å; W27-V98 HydrophobicContact CZ3-CB 4.26Å; W27-V98 HydrophobicContact CZ3-CG1 3.46Å; W27-V98 VanDerWaalsContact CZ3-CG1 3.46Å; I78-V98 HydrophobicContact CG2-CG2 3.79Å; I83-V98 HydrophobicContact CG1-CB 4.26Å; I83-V98 HydrophobicContact CG1-CG2 3.78Å; V98-F100 HydrophobicContact CG1-CE1 4.36Å; V98-F100 HydrophobicContact CG1-CE2 3.84Å; V98-F100 HydrophobicContact CG1-CZ 3.61Å; V98-F100 HydrophobicContact CG2-CE1 4.47Å; V98-F100 HydrophobicContact CG2-CZ 4.49Å
99E98.6Very high98.1Very high46 Ų4645 Ų4522%0.21523%0.227CC..EExtended strand (participates in β ladder)trans-114.5148.8168.5-60.4-178.8-179.800111.7I4 A5 L79 T82 T96I4-E99 WeakPolarHBondContact O-CA 3.33Å; A5-E99 HydrophobicContact CB-CG 4.23Å; L79-E99 HydrophobicContact CB-CB 4.47Å; L79-E99 WeakPolarHBondContact CB-O 3.37Å; L79-E99 HydrophobicContact CD1-CB 4.04Å; L79-E99 PolarHBondContact N-O 3.02Å; T82-E99 HydrophobicContact CG2-CB 3.97Å; T82-E99 HydrophobicContact CG2-CG 4.08Å; T82-E99 WeakPolarHBondContact OG1-CB 3.3Å; T82-E99 PolarHBondContact OG1-N 3.17Å; T96-E99 HydrophobicContact CG2-CG 4.14Å
100F98.3Very high98.2Very high0 Ų038.6 Ų38.60%020%0.197CC..EExtended strand (participates in β ladder)trans-117.2137.6174.1-52.5-80.2000110.9K3 I4 L6 W27 L29 I46 I76 E77 I78 V98 P107 F157K3-F100 WeakPolarHBondContact CA-O 3.43Å; I4-F100 PolarHBondContact N-O 2.93Å; I4-F100 PolarHBondContact O-N 2.85Å; L6-F100 HydrophobicContact CB-CE2 3.84Å; L6-F100 HydrophobicContact CD2-CE2 4.33Å; L6-F100 HydrophobicContact CD2-CZ 4.43Å; W27-F100 HydrophobicContact CD2-CZ 4.42Å; W27-F100 HydrophobicContact CE3-CZ 4.36Å; W27-F100 HydrophobicContact CG-CE1 4.48Å; L29-F100 HydrophobicContact CD1-CE1 4.11Å; L29-F100 HydrophobicContact CD1-CZ 4.02Å; I46-F100 HydrophobicContact CD1-CD1 3.95Å; I46-F100 HydrophobicContact CD1-CE1 3.84Å; I76-F100 HydrophobicContact CD1-CB 3.93Å; I76-F100 HydrophobicContact CD1-CD1 4.2Å; I76-F100 HydrophobicContact CD1-CG 4.09Å; I76-F100 HydrophobicContact CG1-CB 3.94Å; I76-F100 HydrophobicContact CG1-CD1 4.4Å; I76-F100 HydrophobicContact CG1-CG 4.44Å; E77-F100 CarbonylContact O-C 3.58Å; E77-F100 VanDerWaalsContact O-CA 3.27Å; E77-F100 WeakPolarHBondContact O-CA 3.13Å; I78-F100 HydrophobicContact CG1-CD1 4.13Å; I78-F100 HydrophobicContact CG1-CE1 4.02Å; V98-F100 HydrophobicContact CG1-CE1 4.36Å; V98-F100 HydrophobicContact CG1-CE2 3.84Å; V98-F100 HydrophobicContact CG1-CZ 3.61Å; V98-F100 HydrophobicContact CG2-CE1 4.47Å; V98-F100 HydrophobicContact CG2-CZ 4.49Å; F100-P107 HydrophobicContact CD2-CG 3.98Å; F100-P107 HydrophobicContact CE2-CG 4.42Å; F100-F157 HydrophobicContact CE2-CE1 4.43Å
101E97.2Very high98.1Very high36 Ų3639.1 Ų39.117%0.16820%0.199CC..EExtended strand (participates in β ladder)trans-88.1114.2164.8-167.7-172.8-119.200109.8M1 I76 E77 L79 R103M1-E101 HydrophobicContact CG-CG 4.03Å; M1-E101 HydrophobicContact SD-CG 4.37Å; M1-E101 VanDerWaalsContact SD-OE1 3.41Å; I76-E101 WeakPolarHBondContact CA-O 3.48Å; E77-E101 HydrophobicContact CB-CB 4.35Å; E77-E101 PolarHBondContact N-O 3.36Å; E77-E101 PolarHBondContact O-N 3.27Å; L79-E101 HydrophobicContact CD2-CB 4.1Å; L79-E101 HydrophobicContact CG-CB 4.46Å; E101-R103 IonicContact OE1-NH2 2.76Å; E101-R103 IonicContact OE2-CZ 3.17Å; E101-R103 IonicContact OE2-NE 3.73Å; E101-R103 PolarHBondContact OE2-NE 2.92Å; E101-R103 IonicContact OE2-NH2 3.68Å; E101-R103 PolarHBondContact OE2-NH2 3.38Å
102C97Very high98.1Very high4 Ų436.8 Ų36.83%0.02719%0.186CC..EExtended strand (participates in β ladder)trans-101.6123.7-174-63.90000111.5M1 G2 L105 E106M1-C102 WeakPolarHBondContact CA-O 3.24Å; G2-C102 PolarHBondContact N-O 3.16Å; G2-C102 WeakPolarHBondContact O-CB 3.3Å; G2-C102 PolarHBondContact O-N 2.92Å; C102-L105 VanDerWaalsContact CB-O 3.27Å; C102-L105 WeakPolarHBondContact CB-O 3.42Å; C102-L105 PolarHBondContact SG-O 3.05Å; C102-L105 VanDerWaalsContact SG-O 3.32Å; C102-E106 HydrophobicContact CB-CG 4.3Å
103R96.3Very high98Very high59 Ų5933.5 Ų33.522%0.22317%0.171CC..EExtended strand (participates in β ladder)trans-11873.7174.9-60.2179-176.3-139.5-0.5109.2M1 R58 N74 S75 E101 L105M1-R103 HydrophobicContact CE-CG 4.13Å; M1-R103 HydrophobicContact CG-CG 4.13Å; R58-R103 PolarHBondContact O-NH1 3.06Å; N74-R103 WeakPolarHBondContact CA-O 3.23Å; N74-R103 WeakPolarHBondContact CB-O 3.41Å; S75-R103 PolarHBondContact N-O 2.7Å; S75-R103 CarbonylContact O-C 3.55Å; S75-R103 WeakPolarHBondContact O-CA 3.31Å; S75-R103 PolarHBondContact O-N 3.04Å; S75-R103 WeakPolarHBondContact OG-CB 3.36Å; E101-R103 IonicContact OE1-NH2 2.76Å; E101-R103 IonicContact OE2-CZ 3.17Å; E101-R103 IonicContact OE2-NE 3.73Å; E101-R103 PolarHBondContact OE2-NE 2.92Å; E101-R103 IonicContact OE2-NH2 3.68Å; E101-R103 PolarHBondContact OE2-NH2 3.38Å; R103-L105 VanDerWaalsContact C-N 3.28Å; R103-L105 PolarHBondContact O-N 3.45Å
104G96.1Very high97.9Very high20 Ų2031.3 Ų31.321%0.20617%0.166CC..BIsolated β-bridgetrans81.72.5178.300000115.1G34 R72 N74G34-G104 PolarHBondContact N-O 3.39Å; R72-G104 PolarHBondContact NH2-O 3.12Å; N74-G104 PolarHBondContact OD1-O 2.9Å; N74-G104 VanDerWaalsContact OD1-O 3.09Å
105L97.4Very high97.9Very high6 Ų628.5 Ų28.53%0.03116%0.159CC..EExtended strand (participates in β ladder)trans-128.3111.5176.7-164.563.4000108.6M31 K32 Q65 N74 I76 C102 R103M31-L105 HydrophobicContact CB-CD1 3.69Å; M31-L105 HydrophobicContact CB-CD2 4.43Å; M31-L105 HydrophobicContact CB-CG 3.84Å; M31-L105 HydrophobicContact CG-CG 4.19Å; M31-L105 HydrophobicContact SD-CD1 4.41Å; M31-L105 HydrophobicContact SD-CD2 3.42Å; M31-L105 WeakPolarHBondContact SD-CD2 3.44Å; M31-L105 HydrophobicContact SD-CG 3.71Å; K32-L105 WeakPolarHBondContact O-CA 3.43Å; Q65-L105 HydrophobicContact CG-CD2 3.89Å; N74-L105 HydrophobicContact CB-CB 3.74Å; N74-L105 HydrophobicContact CB-CD1 4.5Å; I76-L105 HydrophobicContact CB-CD2 4.46Å; I76-L105 HydrophobicContact CG2-CD2 4.14Å; C102-L105 VanDerWaalsContact CB-O 3.27Å; C102-L105 WeakPolarHBondContact CB-O 3.42Å; C102-L105 PolarHBondContact SG-O 3.05Å; C102-L105 VanDerWaalsContact SG-O 3.32Å; R103-L105 VanDerWaalsContact C-N 3.28Å; R103-L105 PolarHBondContact O-N 3.45Å
106E98.1Very high97.9Very high61 Ų6126.4 Ų26.429%0.28515%0.15SC..EExtended strand (participates in β ladder)trans-111.2130.7-175.7-65.4-178.8-172.600109.4I4 M31 K32 C102 K159I4-E106 HydrophobicContact CD1-CB 3.71Å; I4-E106 HydrophobicContact CD1-CG 3.69Å; M31-E106 CarbonylContact C-O 3.58Å; M31-E106 WeakPolarHBondContact CA-O 3.27Å; K32-E106 PolarHBondContact N-O 3.43Å; K32-E106 PolarHBondContact O-N 3.32Å; C102-E106 HydrophobicContact CB-CG 4.3Å; E106-K159 IonicContact OE2-NZ 2.6Å
107P98.4Very high97.9Very high4 Ų424.9 Ų24.93%0.02614%0.142CC..EExtended strand (participates in β ladder)trans-69.2140.1171.331.4-33.8000110.1I4 L29 K30 I76 F100 F157I4-P107 HydrophobicContact CG2-CG 4.05Å; L29-P107 HydrophobicContact CB-CB 4.48Å; L29-P107 HydrophobicContact CD1-CB 4.18Å; L29-P107 HydrophobicContact CD2-CB 4.04Å; L29-P107 HydrophobicContact CG-CB 4.46Å; K30-P107 WeakPolarHBondContact O-CA 3.11Å; I76-P107 HydrophobicContact CD1-CG 4.31Å; F100-P107 HydrophobicContact CD2-CG 3.98Å; F100-P107 HydrophobicContact CE2-CG 4.42Å; P107-F157 HydrophobicContact CB-CD1 4.31Å; P107-F157 HydrophobicContact CB-CE1 3.6Å; P107-F157 HydrophobicContact CB-CZ 3.76Å; P107-F157 HydrophobicContact CG-CD1 3.93Å; P107-F157 HydrophobicContact CG-CE1 3.59Å; P107-F157 HydrophobicContact CG-CZ 4.26Å
108V98.4Very high97.9Very high59 Ų5924.8 Ų24.836%0.35814%0.141SC..EExtended strand (participates in β ladder)trans-130.8-10.5-177.6-65.70000113.5K30 K32 I39K30-V108 HydrophobicContact CB-CG2 4.01Å; K30-V108 WeakPolarHBondContact O-CG2 3.31Å; K30-V108 PolarHBondContact O-N 2.92Å; K32-V108 HydrophobicContact CB-CG1 3.56Å; K32-V108 HydrophobicContact CB-CG2 4.29Å; K32-V108 HydrophobicContact CD-CG1 4.1Å; K32-V108 HydrophobicContact CG-CG1 4.48Å; I39-V108 HydrophobicContact CD1-CG2 4.35Å; I39-V108 HydrophobicContact CG1-CG2 4.5Å; I39-V108 HydrophobicContact CG2-CG2 3.97Å
109D98.6Very high97.9Very high64 Ų6427 Ų2734%0.34215%0.152SC..EExtended strand (participates in β ladder)trans-152.6152.2174.1-159.1-6.7000108.7L29 K30 W43 H155L29-D109 VanDerWaalsContact CA-O 3.31Å; L29-D109 WeakPolarHBondContact CA-O 3.42Å; K30-D109 HydrophobicContact CB-CB 3.62Å; K30-D109 HydrophobicContact CG-CB 3.66Å; K30-D109 PolarHBondContact N-O 2.76Å; W43-D109 HydrophobicContact CH2-CB 3.96Å; W43-D109 HydrophobicContact CZ3-CB 4.24Å; D109-H155 IonicContact OD1-CE1 3.01Å; D109-H155 PolarHBondContact OD1-CE1 2.76Å; D109-H155 VanDerWaalsContact OD1-CE1 3.26Å; D109-H155 IonicContact OD1-NE2 3.55Å; D109-H155 PolarHBondContact OD1-NE2 3.5Å
110F98.7Very high97.9Very high2 Ų224.9 Ų24.91%0.00914%0.142CC..EExtended strand (participates in β ladder)trans-137131.3-177.3170.6-123.3000111.5L6 L8 W27 Y28 L29 P112 H155 F157L6-F110 HydrophobicContact CD1-CB 4.05Å; L6-F110 HydrophobicContact CD1-CD1 3.83Å; L6-F110 HydrophobicContact CD1-CG 4.08Å; L6-F110 HydrophobicContact CD2-CB 4.37Å; L6-F110 HydrophobicContact CD2-CD1 3.72Å; L6-F110 HydrophobicContact CD2-CD2 3.92Å; L6-F110 HydrophobicContact CD2-CE1 3.88Å; L6-F110 HydrophobicContact CD2-CE2 4.11Å; L6-F110 HydrophobicContact CD2-CG 3.74Å; L6-F110 HydrophobicContact CD2-CZ 4.08Å; L6-F110 HydrophobicContact CG-CD1 4.31Å; L8-F110 HydrophobicContact CD1-CE1 4.38Å; W27-F110 AromaticContact CE3-CE2 3.82Å; W27-F110 HydrophobicContact CE3-CE2 3.82Å; W27-F110 HydrophobicContact CE3-CZ 4.11Å; W27-F110 HydrophobicContact CZ3-CE2 4.31Å; W27-F110 HydrophobicContact CZ3-CZ 4.13Å; Y28-F110 WeakPolarHBondContact O-CA 3.43Å; Y28-F110 WeakPolarHBondContact O-CD2 3.32Å; L29-F110 HydrophobicContact CD2-CB 4.09Å; L29-F110 HydrophobicContact CD2-CD2 3.91Å; L29-F110 HydrophobicContact CD2-CG 4.41Å; F110-P112 HydrophobicContact CD1-CG 4.46Å; F110-P112 HydrophobicContact CE1-CB 3.71Å; F110-P112 VanDerWaalsContact CE1-CD 3.49Å; F110-P112 HydrophobicContact CE1-CG 3.94Å; F110-P112 HydrophobicContact CE2-CB 4.47Å; F110-P112 HydrophobicContact CZ-CB 3.62Å; F110-P112 HydrophobicContact CZ-CG 4.3Å; F110-H155 HydrophobicContact CD1-CB 4.08Å; F110-H155 PolarHBondContact N-CE1 2.72Å; F110-H155 PolarHBondContact N-NE2 3.34Å; F110-H155 VanDerWaalsContact N-NE2 3.1Å; F110-H155 PolarHBondContact O-CE1 3.49Å; F110-F157 HydrophobicContact CB-CE2 4.41Å; F110-F157 HydrophobicContact CB-CZ 3.96Å
111Q98.4Very high97.9Very high39 Ų3928.3 Ų28.318%0.18216%0.163CC..EExtended strand (participates in β ladder)trans-114.896.2172.1-174175.467.800109Y28 W43 Q113Y28-Q111 WeakPolarHBondContact CB-O 3.38Å; Y28-Q111 PolarHBondContact O-N 2.97Å; W43-Q111 HydrophobicContact CD2-CB 4.04Å; W43-Q111 HydrophobicContact CE3-CB 3.88Å; W43-Q111 HydrophobicContact CH2-CB 3.63Å; W43-Q111 HydrophobicContact CZ2-CB 3.79Å; W43-Q111 HydrophobicContact CZ3-CB 3.66Å; Q111-Q113 HydrophobicContact CG-CG 4.1Å
112P97.8Very high97.9Very high2 Ų234.5 Ų34.51%0.01319%0.192CC..  trans-59.5141.3165.129.1-37000109F110 F116 L132 Q133 K135 V153F110-P112 HydrophobicContact CD1-CG 4.46Å; F110-P112 HydrophobicContact CE1-CB 3.71Å; F110-P112 VanDerWaalsContact CE1-CD 3.49Å; F110-P112 HydrophobicContact CE1-CG 3.94Å; F110-P112 HydrophobicContact CE2-CB 4.47Å; F110-P112 HydrophobicContact CZ-CB 3.62Å; F110-P112 HydrophobicContact CZ-CG 4.3Å; P112-F116 HydrophobicContact CB-CE2 3.9Å; P112-F116 HydrophobicContact CB-CZ 4.17Å; P112-L132 HydrophobicContact CB-CB 3.95Å; P112-L132 HydrophobicContact CG-CB 4.25Å; P112-L132 CarbonylContact O-C 3.57Å; P112-Q133 VanDerWaalsContact O-CA 3.31Å; P112-Q133 WeakPolarHBondContact O-CA 3.44Å; P112-Q133 PolarHBondContact O-N 3.18Å; P112-K135 VanDerWaalsContact CD-NZ 3.3Å; P112-V153 HydrophobicContact CG-CG1 4.01Å
113Q97.1Very high97.9Very high36 Ų3634.9 Ų34.917%0.16819%0.194CC..  trans-138-157.8176.6-64.3-170.32.500107.9Y28 Q111 F116 D131 Q133Y28-Q113 HydrophobicContact CD2-CB 4.2Å; Y28-Q113 VanDerWaalsContact CD2-CD 3.48Å; Y28-Q113 HydrophobicContact CD2-CG 3.8Å; Y28-Q113 HydrophobicContact CE2-CB 4.03Å; Y28-Q113 HydrophobicContact CE2-CG 3.9Å; Y28-Q113 PolarHBondContact OH-OE1 3.29Å; Q111-Q113 HydrophobicContact CG-CG 4.1Å; Q113-F116 VanDerWaalsContact O-CD2 3.23Å; Q113-F116 WeakPolarHBondContact O-CD2 3.47Å; Q113-F116 WeakPolarHBondContact O-CE2 3.34Å; Q113-D131 VanDerWaalsContact CA-OD1 3.25Å; Q113-D131 WeakPolarHBondContact CA-OD1 3.25Å; Q113-Q133 HydrophobicContact CG-CB 4.45Å
114A96.6Very high98Very high53 Ų5334.2 Ų34.244%0.43821%0.206SC..SBendtrans-56.7159.3173.400000114.9I130 D131A114-I130 WeakPolarHBondContact CA-O 3.38Å; A114-D131 HydrophobicContact CB-CB 4.1Å; A114-D131 PolarHBondContact N-OD1 3.39Å
115G97.3Very high98.1Very high19 Ų1935.1 Ų35.120%0.19621%0.207CC..  trans1068.4175.700000114.1V21 F25 I130V21-G115 PolarHBondContact N-O 3.32Å; F25-G115 VanDerWaalsContact CD2-O 3.31Å; F25-G115 WeakPolarHBondContact CD2-O 3.38Å; G115-I130 PolarHBondContact N-O 2.86Å
116F98.8Very high98.2Very high2 Ų239.3 Ų39.31%0.00923%0.233CC..EExtended strand (participates in β ladder)trans-83.2154.5168.5-71.6-92.1000110.9L18 R19 F25 P112 Q113 D129 I130 L132L18-F116 HydrophobicContact CD1-CB 3.83Å; L18-F116 HydrophobicContact CD1-CD1 3.84Å; L18-F116 HydrophobicContact CD1-CG 4.13Å; L18-F116 HydrophobicContact CG-CD1 4.26Å; R19-F116 CarbonylContact O-C 3.53Å; R19-F116 VanDerWaalsContact O-CA 3.3Å; R19-F116 WeakPolarHBondContact O-CA 3.31Å; F25-F116 AromaticContact CE2-CD2 3.88Å; F25-F116 HydrophobicContact CE2-CD2 3.88Å; F25-F116 AromaticContact CE2-CE2 3.78Å; F25-F116 HydrophobicContact CE2-CE2 3.78Å; F25-F116 HydrophobicContact CE2-CG 4.32Å; F25-F116 HydrophobicContact CE2-CZ 4.12Å; F25-F116 HydrophobicContact CZ-CD2 4.11Å; F25-F116 HydrophobicContact CZ-CE1 4.22Å; F25-F116 AromaticContact CZ-CE2 3.51Å; F25-F116 HydrophobicContact CZ-CE2 3.51Å; F25-F116 AromaticContact CZ-CZ 3.57Å; F25-F116 HydrophobicContact CZ-CZ 3.57Å; P112-F116 HydrophobicContact CB-CE2 3.9Å; P112-F116 HydrophobicContact CB-CZ 4.17Å; Q113-F116 VanDerWaalsContact O-CD2 3.23Å; Q113-F116 WeakPolarHBondContact O-CD2 3.47Å; Q113-F116 WeakPolarHBondContact O-CE2 3.34Å; F116-D129 PolarHBondContact O-N 2.89Å; F116-I130 HydrophobicContact CB-CB 3.92Å; F116-I130 HydrophobicContact CB-CG2 4.31Å; F116-I130 PolarHBondContact N-O 3.09Å; F116-I130 PolarHBondContact O-N 3.45Å; F116-L132 HydrophobicContact CD1-CD1 4.36Å; F116-L132 HydrophobicContact CD2-CD1 3.94Å; F116-L132 HydrophobicContact CD2-CG 4.23Å; F116-L132 HydrophobicContact CE1-CD1 4.48Å; F116-L132 HydrophobicContact CE2-CD1 4.07Å; F116-L132 HydrophobicContact CG-CD1 4.09Å; F116-L132 HydrophobicContact CZ-CD1 4.34Å
117A98.8Very high98.2Very high8 Ų837 Ų377%0.06622%0.222CC..EExtended strand (participates in β ladder)trans-132.6155163.400000109.8L18 R19 V21 F127L18-A117 CarbonylContact C-O 3.52Å; L18-A117 VanDerWaalsContact CA-O 3.32Å; L18-A117 WeakPolarHBondContact CA-O 3.5Å; R19-A117 PolarHBondContact N-O 3.07Å; R19-A117 PolarHBondContact O-N 2.84Å; V21-A117 HydrophobicContact CG2-CB 3.54Å; A117-F127 CarbonylContact C-O 3.52Å; A117-F127 WeakPolarHBondContact CA-O 3.39Å; A117-F127 WeakPolarHBondContact CB-O 3.18Å
118A98.8Very high98.2Very high0 Ų040.7 Ų40.70%025%0.248CC..EExtended strand (participates in β ladder)trans-147.5173.7177.500000110.4I15 L18 F127 I130I15-A118 HydrophobicContact CD1-CB 3.98Å; I15-A118 HydrophobicContact CG2-CB 3.79Å; L18-A118 HydrophobicContact CB-CB 4.3Å; L18-A118 HydrophobicContact CD1-CB 4.21Å; A118-F127 PolarHBondContact N-O 3.09Å; A118-F127 PolarHBondContact O-N 3.2Å; A118-I130 HydrophobicContact CB-CD1 3.57Å
119E98.8Very high98.1Very high47 Ų4744.1 Ų44.122%0.2226%0.264CS..EExtended strand (participates in β ladder)trans-131.2139.8-178.8-75.4153.7-140.300110.7I15 T16 N17 R19 V121 T125 V126I15-E119 WeakPolarHBondContact CA-O 3.44Å; T16-E119 HydrophobicContact CG2-CB 4.41Å; T16-E119 PolarHBondContact N-O 3.35Å; T16-E119 PolarHBondContact O-N 3.05Å; N17-E119 HydrophobicContact CB-CB 4.45Å; N17-E119 VanDerWaalsContact ND2-CD 3.28Å; N17-E119 PolarHBondContact ND2-OE1 3.34Å; N17-E119 PolarHBondContact ND2-OE2 2.99Å; R19-E119 IonicContact CZ-OE1 3.77Å; R19-E119 IonicContact NH1-OE1 3.16Å; R19-E119 PolarHBondContact NH1-OE1 2.96Å; R19-E119 VanDerWaalsContact NH1-OE1 3.17Å; R19-E119 IonicContact NH2-OE1 3.39Å; R19-E119 PolarHBondContact NH2-OE1 3.32Å; E119-V121 PolarHBondContact O-N 3.41Å; E119-T125 CarbonylContact C-O 3.6Å; E119-T125 VanDerWaalsContact CA-O 3.23Å; E119-T125 WeakPolarHBondContact CA-O 3.49Å; E119-V126 HydrophobicContact CG-CG2 4.12Å
120G98.8Very high98.1Very high1 Ų141.1 Ų41.11%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-61.1131.5168.900000110.2N14 E122 G124 T125N14-G120 WeakPolarHBondContact O-CA 3.38Å; G120-E122 PolarHBondContact O-N 3.23Å; G120-G124 WeakPolarHBondContact O-CA 3.37Å; G120-G124 PolarHBondContact O-N 2.78Å; G120-T125 PolarHBondContact N-O 3.08Å
121V98.3Very high98.1Very high72 Ų7244.1 Ų44.144%0.43626%0.264SS..THydrogen-bonded Turntrans-58.4-47.2-169.2170.40000112.2N14 T16 A88 E119N14-V121 VanDerWaalsContact C-CG2 3.47Å; N14-V121 PolarHBondContact O-N 3.38Å; T16-V121 HydrophobicContact CG2-CG2 4.24Å; A88-V121 HydrophobicContact CB-CG2 4.17Å; E119-V121 PolarHBondContact O-N 3.41Å
122E96.8Very high98.1Very high167 Ų16742.3 Ų42.378%0.7826%0.256SS*.THydrogen-bonded Turntrans-92.4-37.7-177.1-57.5-163.5163.400112.6G120G120-E122 PolarHBondContact O-N 3.23Å
123S97.9Very high98.1Very high12 Ų1246 Ų468%0.08427%0.273CS..THydrogen-bonded Turntrans-79.8-29.1-171.866.30000113.4T125 D141 K143S123-T125 WeakPolarHBondContact CB-OG1 3.42Å; S123-T125 PolarHBondContact O-N 2.96Å; S123-T125 WeakPolarHBondContact OG-CB 3.27Å; S123-T125 PolarHBondContact OG-N 3.07Å; S123-T125 PolarHBondContact OG-OG1 3Å; S123-T125 VanDerWaalsContact OG-OG1 3.07Å; S123-D141 VanDerWaalsContact CB-OD2 3.27Å; S123-D141 WeakPolarHBondContact CB-OD2 3.21Å; S123-D141 PolarHBondContact OG-OD2 2.91Å; S123-K143 PolarHBondContact O-NZ 3.14Å
124G98.3Very high98.1Very high45 Ų4551.1 Ų51.146%0.46430%0.297SS..  trans63.816.9-163.800000113.8G120 V126G120-G124 WeakPolarHBondContact O-CA 3.37Å; G120-G124 PolarHBondContact O-N 2.78Å; G124-V126 PolarHBondContact O-N 3.07Å
125T98.7Very high98.2Very high39 Ų3951.7 Ų51.724%0.23929%0.289CS..  trans-61124.9175.5-62.30000108.7E119 G120 S123 F127 D141E119-T125 CarbonylContact C-O 3.6Å; E119-T125 VanDerWaalsContact CA-O 3.23Å; E119-T125 WeakPolarHBondContact CA-O 3.49Å; G120-T125 PolarHBondContact N-O 3.08Å; S123-T125 WeakPolarHBondContact CB-OG1 3.42Å; S123-T125 PolarHBondContact O-N 2.96Å; S123-T125 WeakPolarHBondContact OG-CB 3.27Å; S123-T125 PolarHBondContact OG-N 3.07Å; S123-T125 PolarHBondContact OG-OG1 3Å; S123-T125 VanDerWaalsContact OG-OG1 3.07Å; T125-F127 HydrophobicContact CG2-CE1 4.32Å; T125-F127 HydrophobicContact CG2-CE2 4.04Å; T125-F127 HydrophobicContact CG2-CZ 3.85Å; T125-F127 WeakPolarHBondContact O-CD2 3.42Å; T125-F127 WeakPolarHBondContact O-CE2 3.46Å; T125-D141 VanDerWaalsContact CB-OD2 3.3Å; T125-D141 WeakPolarHBondContact CB-OD2 3.34Å; T125-D141 PolarHBondContact OG1-OD1 2.82Å; T125-D141 PolarHBondContact OG1-OD2 3.41Å
126V98.6Very high98.3Very high93 Ų9354.8 Ų54.856%0.56430%0.302SS*.EExtended strand (participates in β ladder)trans-86.4124.3-179179.10000109.5E119 G124E119-V126 HydrophobicContact CG-CG2 4.12Å; G124-V126 PolarHBondContact O-N 3.07Å
127F98.7Very high98.3Very high14 Ų1456.5 Ų56.56%0.06131%0.308CS..EExtended strand (participates in β ladder)trans-103.5114.7170.7-60.1-85000108.1I15 A117 A118 T125 I130 W137 D139 D141 V148I15-F127 HydrophobicContact CD1-CD2 3.55Å; I15-F127 HydrophobicContact CD1-CE2 3.82Å; I15-F127 HydrophobicContact CD1-CG 4.37Å; A117-F127 CarbonylContact C-O 3.52Å; A117-F127 WeakPolarHBondContact CA-O 3.39Å; A117-F127 WeakPolarHBondContact CB-O 3.18Å; A118-F127 PolarHBondContact N-O 3.09Å; A118-F127 PolarHBondContact O-N 3.2Å; T125-F127 HydrophobicContact CG2-CE1 4.32Å; T125-F127 HydrophobicContact CG2-CE2 4.04Å; T125-F127 HydrophobicContact CG2-CZ 3.85Å; T125-F127 WeakPolarHBondContact O-CD2 3.42Å; T125-F127 WeakPolarHBondContact O-CE2 3.46Å; F127-I130 HydrophobicContact CB-CD1 3.9Å; F127-I130 HydrophobicContact CB-CG1 4.26Å; F127-W137 HydrophobicContact CB-CH2 3.96Å; F127-W137 HydrophobicContact CB-CZ2 4.24Å; F127-W137 AromaticContact CD1-CH2 3.71Å; F127-W137 HydrophobicContact CD1-CH2 3.71Å; F127-W137 HydrophobicContact CD1-CZ2 4.15Å; F127-W137 HydrophobicContact CE1-CH2 4.37Å; F127-W137 AromaticContact CG-CH2 3.82Å; F127-W137 HydrophobicContact CG-CH2 3.82Å; F127-W137 HydrophobicContact CG-CZ2 4.42Å; F127-D139 HydrophobicContact CD1-CB 4.24Å; F127-D139 HydrophobicContact CE1-CB 4.14Å; F127-D141 HydrophobicContact CZ-CB 3.95Å; F127-V148 HydrophobicContact CD1-CG2 4.39Å; F127-V148 HydrophobicContact CE1-CG2 3.73Å; F127-V148 HydrophobicContact CE2-CG1 4.11Å; F127-V148 HydrophobicContact CE2-CG2 4.1Å; F127-V148 HydrophobicContact CZ-CB 4.35Å; F127-V148 HydrophobicContact CZ-CG1 4.02Å; F127-V148 HydrophobicContact CZ-CG2 3.56Å
128S98Very high98.3Very high81 Ų8160.5 Ų60.557%0.56633%0.332SS*.EExtended strand (participates in β ladder)trans-107.2163.8-178.556.30000111.7I130S128-I130 PolarHBondContact O-N 3.35Å; S128-I130 VanDerWaalsContact O-N 3.16Å
129D96.3Very high98.2Very high131 Ų13164.7 Ų64.770%0.70135%0.354SS*.EExtended strand (participates in β ladder)trans54.632.4176.8-58.5-47.8000113.8F116 D131F116-D129 PolarHBondContact O-N 2.89Å; D129-D131 PolarHBondContact O-N 2.99Å
130I98.6Very high98.2Very high1 Ų166.9 Ų66.91%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-62.3127.1176.4-62.2175.5000108.6A114 G115 F116 A118 F127 S128 L132 W137 I150A114-I130 WeakPolarHBondContact CA-O 3.38Å; G115-I130 PolarHBondContact N-O 2.86Å; F116-I130 HydrophobicContact CB-CB 3.92Å; F116-I130 HydrophobicContact CB-CG2 4.31Å; F116-I130 PolarHBondContact N-O 3.09Å; F116-I130 PolarHBondContact O-N 3.45Å; A118-I130 HydrophobicContact CB-CD1 3.57Å; F127-I130 HydrophobicContact CB-CD1 3.9Å; F127-I130 HydrophobicContact CB-CG1 4.26Å; S128-I130 PolarHBondContact O-N 3.35Å; S128-I130 VanDerWaalsContact O-N 3.16Å; I130-L132 HydrophobicContact CG2-CD2 3.74Å; I130-L132 HydrophobicContact CG2-CG 4.01Å; I130-W137 HydrophobicContact CD1-CH2 4.31Å; I130-W137 HydrophobicContact CD1-CZ2 4.28Å; I130-W137 HydrophobicContact CG1-CZ2 3.98Å; I130-W137 HydrophobicContact CG2-CB 4.4Å; I130-W137 HydrophobicContact CG2-CD2 3.99Å; I130-W137 HydrophobicContact CG2-CG 3.85Å; I130-I150 HydrophobicContact CD1-CD1 4.18Å; I130-I150 HydrophobicContact CG2-CD1 4.1Å
131D98.5Very high98.2Very high65 Ų6566.9 Ų66.935%0.34836%0.36SS..  trans-106.7116.9174.5-165.7-14.5000110.7Q113 A114 D129 Q133Q113-D131 VanDerWaalsContact CA-OD1 3.25Å; Q113-D131 WeakPolarHBondContact CA-OD1 3.25Å; A114-D131 HydrophobicContact CB-CB 4.1Å; A114-D131 PolarHBondContact N-OD1 3.39Å; D129-D131 PolarHBondContact O-N 2.99Å; D131-Q133 WeakPolarHBondContact OD1-CB 3.34Å; D131-Q133 PolarHBondContact OD1-N 3.39Å
132L98.6Very high98.2Very high0 Ų070.4 Ų70.40%037%0.372CS..  trans-103.419.6-179.9-61.2-180000112.5L18 P112 F116 I130 E134 K135 W137 I150 V153L18-L132 HydrophobicContact CD1-CD1 4.39Å; L18-L132 HydrophobicContact CD2-CD1 4.21Å; P112-L132 HydrophobicContact CB-CB 3.95Å; P112-L132 HydrophobicContact CG-CB 4.25Å; P112-L132 CarbonylContact O-C 3.57Å; F116-L132 HydrophobicContact CD1-CD1 4.36Å; F116-L132 HydrophobicContact CD2-CD1 3.94Å; F116-L132 HydrophobicContact CD2-CG 4.23Å; F116-L132 HydrophobicContact CE1-CD1 4.48Å; F116-L132 HydrophobicContact CE2-CD1 4.07Å; F116-L132 HydrophobicContact CG-CD1 4.09Å; F116-L132 HydrophobicContact CZ-CD1 4.34Å; I130-L132 HydrophobicContact CG2-CD2 3.74Å; I130-L132 HydrophobicContact CG2-CG 4.01Å; L132-E134 VanDerWaalsContact C-N 3.31Å; L132-E134 PolarHBondContact O-N 3.12Å; L132-K135 PolarHBondContact O-N 2.89Å; L132-W137 HydrophobicContact CD2-CB 3.92Å; L132-I150 HydrophobicContact CD2-CB 4.16Å; L132-I150 HydrophobicContact CD2-CD1 4.12Å; L132-I150 HydrophobicContact CD2-CG2 3.91Å; L132-V153 HydrophobicContact CD1-CG2 4.43Å; L132-V153 HydrophobicContact CD2-CG2 4.31Å
133Q97.9Very high98.3Very high79 Ų7969.9 Ų69.937%0.36937%0.368SS..THydrogen-bonded Turntrans-57.3-43.8178-179.4169.811.400112.2P112 Q113 D131 K135P112-Q133 VanDerWaalsContact O-CA 3.31Å; P112-Q133 WeakPolarHBondContact O-CA 3.44Å; P112-Q133 PolarHBondContact O-N 3.18Å; Q113-Q133 HydrophobicContact CG-CB 4.45Å; D131-Q133 WeakPolarHBondContact OD1-CB 3.34Å; D131-Q133 PolarHBondContact OD1-N 3.39Å; Q133-K135 PolarHBondContact O-N 3.26Å
134E98Very high98.3Very high145 Ų14570.9 Ų70.968%0.67838%0.377SS*.THydrogen-bonded Turntrans-81.41.1-178.7-62-54.812900113.7L132 D136L132-E134 VanDerWaalsContact C-N 3.31Å; L132-E134 PolarHBondContact O-N 3.12Å; E134-D136 PolarHBondContact O-N 3.33Å
135K98.3Very high98.3Very high65 Ų6576.1 Ų76.128%0.28339%0.389SS..SBendtrans68.4-9.8-178.4-45.2-53.1-179.1-172.40116.4P112 L132 Q133 E152 V153P112-K135 VanDerWaalsContact CD-NZ 3.3Å; L132-K135 PolarHBondContact O-N 2.89Å; Q133-K135 PolarHBondContact O-N 3.26Å; K135-E152 PolarHBondContact O-N 2.86Å; K135-V153 HydrophobicContact CB-CB 4.22Å; K135-V153 HydrophobicContact CD-CB 4.32Å; K135-V153 WeakPolarHBondContact O-CB 3.46Å; K135-V153 VanDerWaalsContact O-CG2 3.22Å; K135-V153 WeakPolarHBondContact O-CG2 3.26Å; K135-V153 PolarHBondContact O-N 3.16Å
136D98.4Very high98.2Very high84 Ų8476.4 Ų76.445%0.44939%0.387SS..  trans-128.2138.1173.1-60.2-58.7000109.3E134 I150 Y151 E152E134-D136 PolarHBondContact O-N 3.33Å; D136-I150 CarbonylContact C-O 3.49Å; D136-I150 VanDerWaalsContact CA-O 3.3Å; D136-I150 WeakPolarHBondContact CA-O 3.35Å; D136-Y151 HydrophobicContact CB-CD1 4.15Å; D136-Y151 WeakPolarHBondContact OD1-CA 3.41Å; D136-Y151 WeakPolarHBondContact OD1-CB 3.47Å; D136-E152 PolarHBondContact OD1-N 3.18Å
137W98.7Very high98.2Very high38 Ų3874.8 Ų74.814%0.14438%0.38CS..EExtended strand (participates in β ladder)trans-139.3141175.8174.589.9000109.4I15 F127 I130 L132 D139 V148 G149 I150I15-W137 HydrophobicContact CD1-CZ3 4.31Å; I15-W137 HydrophobicContact CG1-CZ3 4.37Å; F127-W137 HydrophobicContact CB-CH2 3.96Å; F127-W137 HydrophobicContact CB-CZ2 4.24Å; F127-W137 AromaticContact CD1-CH2 3.71Å; F127-W137 HydrophobicContact CD1-CH2 3.71Å; F127-W137 HydrophobicContact CD1-CZ2 4.15Å; F127-W137 HydrophobicContact CE1-CH2 4.37Å; F127-W137 AromaticContact CG-CH2 3.82Å; F127-W137 HydrophobicContact CG-CH2 3.82Å; F127-W137 HydrophobicContact CG-CZ2 4.42Å; I130-W137 HydrophobicContact CD1-CH2 4.31Å; I130-W137 HydrophobicContact CD1-CZ2 4.28Å; I130-W137 HydrophobicContact CG1-CZ2 3.98Å; I130-W137 HydrophobicContact CG2-CB 4.4Å; I130-W137 HydrophobicContact CG2-CD2 3.99Å; I130-W137 HydrophobicContact CG2-CG 3.85Å; L132-W137 HydrophobicContact CD2-CB 3.92Å; W137-D139 HydrophobicContact CH2-CB 3.38Å; W137-D139 HydrophobicContact CZ2-CB 3.38Å; W137-D139 HydrophobicContact CZ3-CB 4.17Å; W137-V148 HydrophobicContact CH2-CG2 3.88Å; W137-V148 HydrophobicContact CZ3-CB 4.38Å; W137-V148 HydrophobicContact CZ3-CG2 3.91Å; W137-G149 CarbonylContact O-C 3.53Å; W137-G149 VanDerWaalsContact O-CA 3.26Å; W137-G149 WeakPolarHBondContact O-CA 3.38Å; W137-I150 HydrophobicContact CB-CB 4.49Å; W137-I150 HydrophobicContact CE3-CD1 3.96Å; W137-I150 HydrophobicContact CE3-CG1 4.09Å; W137-I150 HydrophobicContact CZ3-CD1 4.47Å; W137-I150 PolarHBondContact N-O 2.68Å; W137-I150 PolarHBondContact O-N 3.3Å
138T98.5Very high98.2Very high92 Ų9274.1 Ų74.156%0.56438%0.377SS*.EExtended strand (participates in β ladder)trans-140.9143.3179.758.90000110.6V148 Y151T138-V148 WeakPolarHBondContact CA-O 3.16Å; T138-Y151 HydrophobicContact CG2-CE1 3.48Å; T138-Y151 VanDerWaalsContact CG2-CE1 3.48Å; T138-Y151 WeakPolarHBondContact CG2-OH 3.2Å
139D98.6Very high98.3Very high87 Ų8770.2 Ų70.247%0.46535%0.35SS..EExtended strand (participates in β ladder)trans-151.1-170.3170.8-153-23.9000109.1F127 W137 V148F127-D139 HydrophobicContact CD1-CB 4.24Å; F127-D139 HydrophobicContact CE1-CB 4.14Å; W137-D139 HydrophobicContact CH2-CB 3.38Å; W137-D139 HydrophobicContact CZ2-CB 3.38Å; W137-D139 HydrophobicContact CZ3-CB 4.17Å; D139-V148 VanDerWaalsContact C-CG2 3.41Å; D139-V148 HydrophobicContact CB-CG2 3.74Å; D139-V148 PolarHBondContact N-O 3.04Å; D139-V148 WeakPolarHBondContact O-CG2 3.24Å; D139-V148 PolarHBondContact O-N 3.13Å
140Y98.5Very high98.4Very high94 Ų9464 Ų6437%0.36932%0.317SS..EExtended strand (participates in β ladder)trans-130.4130179.9-168.9-99.9000111.4E142 Q145 E146Y140-E142 HydrophobicContact CD1-CG 4.26Å; Y140-E142 PolarHBondContact O-N 3.29Å; Y140-Q145 VanDerWaalsContact OH-C 3.23Å; Y140-Q145 WeakPolarHBondContact OH-CA 3.2Å; Y140-Q145 PolarHBondContact OH-O 2.79Å; Y140-E146 WeakPolarHBondContact CD2-O 3.48Å
141D98.5Very high98.4Very high0 Ų066.9 Ų66.90%033%0.328CS..EExtended strand (participates in β ladder)trans-89.297.3175.2-165-34.8000110.4S123 T125 F127 K143 A144 Q145 E146 V148S123-D141 VanDerWaalsContact CB-OD2 3.27Å; S123-D141 WeakPolarHBondContact CB-OD2 3.21Å; S123-D141 PolarHBondContact OG-OD2 2.91Å; T125-D141 VanDerWaalsContact CB-OD2 3.3Å; T125-D141 WeakPolarHBondContact CB-OD2 3.34Å; T125-D141 PolarHBondContact OG1-OD1 2.82Å; T125-D141 PolarHBondContact OG1-OD2 3.41Å; F127-D141 HydrophobicContact CZ-CB 3.95Å; D141-K143 PolarHBondContact O-N 2.93Å; D141-K143 VanDerWaalsContact O-N 3.16Å; D141-K143 WeakPolarHBondContact OD1-CB 3.31Å; D141-K143 PolarHBondContact OD1-N 3.37Å; D141-A144 HydrophobicContact CB-CB 4.18Å; D141-A144 PolarHBondContact O-N 3.35Å; D141-A144 PolarHBondContact OD1-N 3.49Å; D141-Q145 WeakPolarHBondContact O-CA 3.43Å; D141-Q145 PolarHBondContact O-N 3.47Å; D141-E146 HydrophobicContact CB-CG 4.45Å; D141-E146 PolarHBondContact N-O 3.39Å; D141-E146 PolarHBondContact O-N 3.02Å; D141-V148 HydrophobicContact CB-CG1 3.99Å
142E98.1Very high98.4Very high147 Ų14770.5 Ų70.569%0.68734%0.343SS*.THydrogen-bonded Turntrans-59.5-27.2179.5-67.4-65.5169.100113.7Y140Y140-E142 HydrophobicContact CD1-CG 4.26Å; Y140-E142 PolarHBondContact O-N 3.29Å
143K98.1Very high98.4Very high156 Ų15670.9 Ų70.968%0.67835%0.345SS*.THydrogen-bonded Turntrans-80.4-36.4-178.1-176.8177.1171-164.80111.6S123 D141S123-K143 PolarHBondContact O-NZ 3.14Å; D141-K143 PolarHBondContact O-N 2.93Å; D141-K143 VanDerWaalsContact O-N 3.16Å; D141-K143 WeakPolarHBondContact OD1-CB 3.31Å; D141-K143 PolarHBondContact OD1-N 3.37Å
144A97.9Very high98.4Very high33 Ų3370 Ų7027%0.27335%0.346SS..THydrogen-bonded Turntrans-89.9-14175.300000113.5D141 E146D141-A144 HydrophobicContact CB-CB 4.18Å; D141-A144 PolarHBondContact O-N 3.35Å; D141-A144 PolarHBondContact OD1-N 3.49Å; A144-E146 VanDerWaalsContact C-N 3.34Å; A144-E146 HydrophobicContact CB-CG 3.72Å
145Q98.1Very high98.5Very high154 Ų15465.1 Ų65.172%0.7232%0.323SS*.THydrogen-bonded Turntrans57.843.7-174.4-55.9-171.2-12.900113Y140 D141Y140-Q145 VanDerWaalsContact OH-C 3.23Å; Y140-Q145 WeakPolarHBondContact OH-CA 3.2Å; Y140-Q145 PolarHBondContact OH-O 2.79Å; D141-Q145 WeakPolarHBondContact O-CA 3.43Å; D141-Q145 PolarHBondContact O-N 3.47Å
146E98.3Very high98.5Very high45 Ų4565.7 Ų65.721%0.2133%0.326CS..EExtended strand (participates in β ladder)trans-141.2158.2-178.567.4-172.2179.200111.9N14 Y140 D141 A144N14-E146 HydrophobicContact CB-CG 4.26Å; N14-E146 WeakPolarHBondContact CB-OE1 3.34Å; N14-E146 VanDerWaalsContact CG-CD 3.42Å; N14-E146 VanDerWaalsContact ND2-CD 3.3Å; N14-E146 PolarHBondContact ND2-OE2 3.28Å; Y140-E146 WeakPolarHBondContact CD2-O 3.48Å; D141-E146 HydrophobicContact CB-CG 4.45Å; D141-E146 PolarHBondContact N-O 3.39Å; D141-E146 PolarHBondContact O-N 3.02Å; A144-E146 VanDerWaalsContact C-N 3.34Å; A144-E146 HydrophobicContact CB-CG 3.72Å
147S98.4Very high98.5Very high59 Ų5964.2 Ų64.241%0.41332%0.316SS..EExtended strand (participates in β ladder)trans-71.6147.9171.3-69.90000110.7N14N14-S147 PolarHBondContact ND2-O 3.2Å
148V98.8Very high98.5Very high0 Ų065 Ų650%033%0.325CS..EExtended strand (participates in β ladder)trans-124.9147.4171.8-71.20000109.7E13 N14 I15 F127 W137 T138 D139 D141E13-V148 WeakPolarHBondContact O-CA 3.28Å; N14-V148 HydrophobicContact CB-CG1 3.94Å; I15-V148 HydrophobicContact CD1-CB 4.04Å; I15-V148 HydrophobicContact CD1-CG1 4.2Å; I15-V148 HydrophobicContact CG1-CB 3.7Å; I15-V148 HydrophobicContact CG1-CG1 4.05Å; F127-V148 HydrophobicContact CD1-CG2 4.39Å; F127-V148 HydrophobicContact CE1-CG2 3.73Å; F127-V148 HydrophobicContact CE2-CG1 4.11Å; F127-V148 HydrophobicContact CE2-CG2 4.1Å; F127-V148 HydrophobicContact CZ-CB 4.35Å; F127-V148 HydrophobicContact CZ-CG1 4.02Å; F127-V148 HydrophobicContact CZ-CG2 3.56Å; W137-V148 HydrophobicContact CH2-CG2 3.88Å; W137-V148 HydrophobicContact CZ3-CB 4.38Å; W137-V148 HydrophobicContact CZ3-CG2 3.91Å; T138-V148 WeakPolarHBondContact CA-O 3.16Å; D139-V148 VanDerWaalsContact C-CG2 3.41Å; D139-V148 HydrophobicContact CB-CG2 3.74Å; D139-V148 PolarHBondContact N-O 3.04Å; D139-V148 WeakPolarHBondContact O-CG2 3.24Å; D139-V148 PolarHBondContact O-N 3.13Å; D141-V148 HydrophobicContact CB-CG1 3.99Å
149G98.7Very high98.3Very high0 Ų068 Ų680%033%0.33CS..EExtended strand (participates in β ladder)trans-160.6152.1-174.400000115.4E13 W137E13-G149 PolarHBondContact N-O 3.37Å; E13-G149 PolarHBondContact O-N 2.74Å; W137-G149 CarbonylContact O-C 3.53Å; W137-G149 VanDerWaalsContact O-CA 3.26Å; W137-G149 WeakPolarHBondContact O-CA 3.38Å
150I98.9Very high97.6Very high0 Ų069.4 Ų69.40%035%0.345CS..EExtended strand (participates in β ladder)trans-132.1115.4172.7-58162.6000106.1A10 L12 I15 L18 I130 L132 D136 W137 V153A10-I150 HydrophobicContact CB-CG2 3.92Å; L12-I150 HydrophobicContact CD2-CB 4.45Å; L12-I150 HydrophobicContact CD2-CG1 4.06Å; L12-I150 HydrophobicContact CD2-CG2 4.15Å; I15-I150 HydrophobicContact CG2-CD1 4.32Å; I15-I150 HydrophobicContact CG2-CG1 4.05Å; L18-I150 HydrophobicContact CD1-CD1 3.76Å; L18-I150 HydrophobicContact CD2-CD1 4Å; L18-I150 HydrophobicContact CD2-CG2 4.14Å; L18-I150 HydrophobicContact CG-CD1 4.41Å; I130-I150 HydrophobicContact CD1-CD1 4.18Å; I130-I150 HydrophobicContact CG2-CD1 4.1Å; L132-I150 HydrophobicContact CD2-CB 4.16Å; L132-I150 HydrophobicContact CD2-CD1 4.12Å; L132-I150 HydrophobicContact CD2-CG2 3.91Å; D136-I150 CarbonylContact C-O 3.49Å; D136-I150 VanDerWaalsContact CA-O 3.3Å; D136-I150 WeakPolarHBondContact CA-O 3.35Å; W137-I150 HydrophobicContact CB-CB 4.49Å; W137-I150 HydrophobicContact CE3-CD1 3.96Å; W137-I150 HydrophobicContact CE3-CG1 4.09Å; W137-I150 HydrophobicContact CZ3-CD1 4.47Å; W137-I150 PolarHBondContact N-O 2.68Å; W137-I150 PolarHBondContact O-N 3.3Å; I150-V153 HydrophobicContact CG2-CG2 3.66Å
151Y98.8Very high97.6Very high61 Ų6168.2 Ų68.224%0.23934%0.344CS..EExtended strand (participates in β ladder)trans-126.4161-170.2-50.1-74.9000113.1A10 S11 E13 D136 T138 V153A10-Y151 WeakPolarHBondContact CA-O 3.13Å; S11-Y151 PolarHBondContact N-O 2.99Å; S11-Y151 PolarHBondContact O-N 2.87Å; E13-Y151 HydrophobicContact CB-CE2 3.9Å; E13-Y151 PolarHBondContact OE2-OH 2.89Å; D136-Y151 HydrophobicContact CB-CD1 4.15Å; D136-Y151 WeakPolarHBondContact OD1-CA 3.41Å; D136-Y151 WeakPolarHBondContact OD1-CB 3.47Å; T138-Y151 HydrophobicContact CG2-CE1 3.48Å; T138-Y151 VanDerWaalsContact CG2-CE1 3.48Å; T138-Y151 WeakPolarHBondContact CG2-OH 3.2Å; Y151-V153 PolarHBondContact O-N 3.49Å; Y151-V153 VanDerWaalsContact O-N 3.1Å
152E98.5Very high97.5Very high141 Ų14171.8 Ų71.866%0.65936%0.362SS*.EExtended strand (participates in β ladder)trans51.736.7173-57.3-173.7172.400112.6K135 D136 T154K135-E152 PolarHBondContact O-N 2.86Å; D136-E152 PolarHBondContact OD1-N 3.18Å; E152-T154 PolarHBondContact O-N 3.11Å
153V98.8Very high97.5Very high9 Ų967.6 Ų67.66%0.05534%0.344CS..EExtended strand (participates in β ladder)trans-58.7118.3-175175.90000109.8L8 A10 P112 L132 K135 I150 Y151L8-V153 HydrophobicContact CD1-CG1 3.78Å; A10-V153 HydrophobicContact CB-CG2 4Å; P112-V153 HydrophobicContact CG-CG1 4.01Å; L132-V153 HydrophobicContact CD1-CG2 4.43Å; L132-V153 HydrophobicContact CD2-CG2 4.31Å; K135-V153 HydrophobicContact CB-CB 4.22Å; K135-V153 HydrophobicContact CD-CB 4.32Å; K135-V153 WeakPolarHBondContact O-CB 3.46Å; K135-V153 VanDerWaalsContact O-CG2 3.22Å; K135-V153 WeakPolarHBondContact O-CG2 3.26Å; K135-V153 PolarHBondContact O-N 3.16Å; I150-V153 HydrophobicContact CG2-CG2 3.66Å; Y151-V153 PolarHBondContact O-N 3.49Å; Y151-V153 VanDerWaalsContact O-N 3.1Å
154T98.8Very high97.5Very high61 Ų6162.4 Ų62.437%0.37433%0.325SS..EExtended strand (participates in β ladder)trans-133.4166.9178.1-167.90000110.8K9 F94 E152K9-T154 HydrophobicContact CB-CG2 3.78Å; K9-T154 HydrophobicContact CD-CG2 4.24Å; K9-T154 HydrophobicContact CG-CG2 4.03Å; K9-T154 PolarHBondContact N-O 3.25Å; K9-T154 PolarHBondContact O-N 3.32Å; F94-T154 HydrophobicContact CE1-CG2 3.99Å; F94-T154 HydrophobicContact CZ-CG2 3.94Å; E152-T154 PolarHBondContact O-N 3.11Å
155H98.9Very high97.4Very high42 Ų4264.3 Ų64.319%0.19433%0.328CS..EExtended strand (participates in β ladder)trans-145.8159.8-176.672.3-84.3000112.2L6 Q7 D109 F110 F157L6-H155 HydrophobicContact CD1-CB 3.84Å; Q7-H155 CarbonylContact O-C 3.51Å; Q7-H155 WeakPolarHBondContact O-CA 3.19Å; Q7-H155 WeakPolarHBondContact O-CB 3.22Å; D109-H155 IonicContact OD1-CE1 3.01Å; D109-H155 PolarHBondContact OD1-CE1 2.76Å; D109-H155 VanDerWaalsContact OD1-CE1 3.26Å; D109-H155 IonicContact OD1-NE2 3.55Å; D109-H155 PolarHBondContact OD1-NE2 3.5Å; F110-H155 HydrophobicContact CD1-CB 4.08Å; F110-H155 PolarHBondContact N-CE1 2.72Å; F110-H155 PolarHBondContact N-NE2 3.34Å; F110-H155 VanDerWaalsContact N-NE2 3.1Å; F110-H155 PolarHBondContact O-CE1 3.49Å; H155-F157 AromaticContact CD2-CE2 3.7Å; H155-F157 AromaticContact NE2-CE2 3.8Å
156Q98.7Very high97.4Very high77 Ų7758.3 Ų58.336%0.3630%0.302SS..EExtended strand (participates in β ladder)trans-144.8159.1167.267.7-179.47.400110.9Q7 F94Q7-Q156 HydrophobicContact CB-CG 3.91Å; Q7-Q156 HydrophobicContact CG-CG 4.47Å; Q7-Q156 PolarHBondContact N-O 2.97Å; Q7-Q156 PolarHBondContact O-N 2.94Å; F94-Q156 HydrophobicContact CD1-CB 4.45Å; F94-Q156 HydrophobicContact CD1-CG 3.64Å; F94-Q156 HydrophobicContact CD2-CG 4.43Å; F94-Q156 HydrophobicContact CE1-CB 4.09Å; F94-Q156 HydrophobicContact CE1-CG 3.76Å; F94-Q156 HydrophobicContact CG-CG 3.99Å; F94-Q156 HydrophobicContact CZ-CB 4.38Å; F94-Q156 HydrophobicContact CZ-CG 4.21Å
157F98.6Very high97.3Very high52 Ų5259.2 Ų59.223%0.22831%0.308CS..EExtended strand (participates in β ladder)trans-107.9131.9174-67.7-78.7000110.6I4 A5 L6 L29 F100 P107 F110 H155I4-F157 HydrophobicContact CG2-CB 3.92Å; I4-F157 HydrophobicContact CG2-CD1 3.65Å; I4-F157 HydrophobicContact CG2-CG 4.19Å; A5-F157 WeakPolarHBondContact O-CA 3.02Å; L6-F157 HydrophobicContact CB-CD1 4.18Å; L6-F157 HydrophobicContact CB-CE1 3.9Å; L6-F157 HydrophobicContact CD1-CD1 4.25Å; L6-F157 HydrophobicContact CD1-CE1 3.77Å; L6-F157 HydrophobicContact CD1-CZ 3.91Å; L6-F157 HydrophobicContact CG-CE1 4.31Å; L29-F157 HydrophobicContact CD2-CE1 4.5Å; L29-F157 HydrophobicContact CD2-CZ 4.11Å; F100-F157 HydrophobicContact CE2-CE1 4.43Å; P107-F157 HydrophobicContact CB-CD1 4.31Å; P107-F157 HydrophobicContact CB-CE1 3.6Å; P107-F157 HydrophobicContact CB-CZ 3.76Å; P107-F157 HydrophobicContact CG-CD1 3.93Å; P107-F157 HydrophobicContact CG-CE1 3.59Å; P107-F157 HydrophobicContact CG-CZ 4.26Å; F110-F157 HydrophobicContact CB-CE2 4.41Å; F110-F157 HydrophobicContact CB-CZ 3.96Å; H155-F157 AromaticContact CD2-CE2 3.7Å; H155-F157 AromaticContact NE2-CE2 3.8Å
158V98.3Very high97.3Very high54 Ų5459.2 Ų59.233%0.32730%0.3SS..EExtended strand (participates in β ladder)trans-116.9131.4176.6-1790000109I4 A5 Q7I4-V158 CarbonylContact C-O 3.57Å; I4-V158 WeakPolarHBondContact CA-O 3.18Å; A5-V158 HydrophobicContact CB-CB 4.39Å; A5-V158 PolarHBondContact N-O 2.87Å; A5-V158 PolarHBondContact O-N 3.31Å; Q7-V158 HydrophobicContact CG-CG2 4.16Å
159K95Very high97.1Very high156 Ų15664.2 Ų64.268%0.67833%0.325SS*.EExtended strand (participates in β ladder)trans-79.4126.7172.4-67.5-174.6175-1680108.9I4 E106I4-K159 HydrophobicContact CG1-CG 4.4Å; E106-K159 IonicContact OE2-NZ 2.6Å
160C83.7Confident97Very high117 Ų11770 Ų7079%0.79136%0.355SS*.  trans-99.20179.4-49.50000111.6K3K3-C160 HydrophobicContact CB-CB 3.9Å; K3-C160 PolarHBondContact O-N 2.8Å

Retrieved 160 of 160 residues in 211.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).