A0A087XUS5_POEFO Loading...

CXXC motif containing zinc binding protein

AlphaFold DB , UniProt , Accession A0A087XUS5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 160 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M83.4Confident96.9Very high128 Ų12838.3 Ų38.363%0.63119%0.186SC*.  0135.80171.2-157.3-70.900106.5E101 R103M1-E101 HydrophobicContact CE-CG 4.16Å; M1-E101 WeakPolarHBondContact CE-OE1 3.28Å; M1-E101 HydrophobicContact CG-CG 3.4Å; M1-E101 HydrophobicContact SD-CG 3.53Å; M1-E101 VanDerWaalsContact SD-CG 3.53Å; M1-E101 VanDerWaalsContact SD-OE1 3.42Å; M1-R103 HydrophobicContact CG-CG 4.42Å
2V95Very high97Very high47 Ų4736.3 Ų36.329%0.28518%0.177SC..EExtended strand (participates in β ladder)trans-127.9136.8-174-179.60000108.2F4 C102 K159V2-F4 HydrophobicContact CB-CE2 3.85Å; V2-F4 HydrophobicContact CB-CZ 4.39Å; V2-F4 HydrophobicContact CG1-CD2 4.02Å; V2-F4 HydrophobicContact CG1-CE1 4.35Å; V2-F4 HydrophobicContact CG1-CE2 3.41Å; V2-F4 VanDerWaalsContact CG1-CE2 3.41Å; V2-F4 HydrophobicContact CG1-CZ 3.6Å; V2-C102 PolarHBondContact N-O 3.34Å; V2-C102 PolarHBondContact O-N 3.33Å; V2-K159 HydrophobicContact CG1-CD 4.03Å; V2-K159 VanDerWaalsContact CG1-CE 3.47Å; V2-K159 HydrophobicContact CG1-CG 3.72Å
3K97.5Very high97.2Very high89 Ų8939.1 Ų39.139%0.38719%0.19SC..EExtended strand (participates in β ladder)trans-97138.4174.5-67.1-173.5-178.9-172.80109.8L79 F100 C160K3-L79 HydrophobicContact CD-CD1 4.04Å; K3-F100 WeakPolarHBondContact CA-O 3.42Å; K3-C160 HydrophobicContact CB-CB 3.87Å; K3-C160 PolarHBondContact O-N 2.89Å
4F98.6Very high97.3Very high18 Ų1840.4 Ų40.48%0.07920%0.198CC..EExtended strand (participates in β ladder)trans-125.1125.7174.2-68-88.6000109.4V2 Q99 F100 C102 E106 P107 F157 I158 K159V2-F4 HydrophobicContact CB-CE2 3.85Å; V2-F4 HydrophobicContact CB-CZ 4.39Å; V2-F4 HydrophobicContact CG1-CD2 4.02Å; V2-F4 HydrophobicContact CG1-CE1 4.35Å; V2-F4 HydrophobicContact CG1-CE2 3.41Å; V2-F4 VanDerWaalsContact CG1-CE2 3.41Å; V2-F4 HydrophobicContact CG1-CZ 3.6Å; F4-Q99 CarbonylContact O-C 3.5Å; F4-Q99 VanDerWaalsContact O-CA 3.29Å; F4-Q99 WeakPolarHBondContact O-CA 3.28Å; F4-F100 PolarHBondContact N-O 3.37Å; F4-F100 PolarHBondContact O-N 3.37Å; F4-C102 HydrophobicContact CD2-CB 4.01Å; F4-C102 HydrophobicContact CE2-CB 4.1Å; F4-E106 HydrophobicContact CE1-CG 3.85Å; F4-E106 HydrophobicContact CE2-CB 4.43Å; F4-E106 HydrophobicContact CE2-CG 4.37Å; F4-E106 HydrophobicContact CZ-CB 4.1Å; F4-E106 HydrophobicContact CZ-CG 3.66Å; F4-P107 HydrophobicContact CB-CG 3.77Å; F4-P107 HydrophobicContact CD2-CG 4.27Å; F4-P107 HydrophobicContact CG-CG 3.97Å; F4-F157 HydrophobicContact CB-CD1 4.49Å; F4-I158 CarbonylContact C-O 3.53Å; F4-I158 VanDerWaalsContact CA-O 3.28Å; F4-I158 WeakPolarHBondContact CA-O 3.47Å; F4-K159 HydrophobicContact CD1-CB 4.46Å; F4-K159 HydrophobicContact CE1-CB 4.28Å; F4-K159 HydrophobicContact CE1-CG 4.33Å
5G98.6Very high97.4Very high0 Ų037.9 Ų37.90%019%0.186CC..EExtended strand (participates in β ladder)trans-90.9123.1170.900000110.5Q7 F157 I158G5-Q7 PolarHBondContact O-N 3Å; G5-F157 WeakPolarHBondContact O-CA 3.45Å; G5-I158 PolarHBondContact N-O 3.43Å; G5-I158 PolarHBondContact O-N 3.32Å
6L98.8Very high97.4Very high2 Ų237.4 Ų37.41%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-80.6110.2166.8171.557000108.2W27 T96 M97 V98 F100 F110 H155 F157L6-W27 HydrophobicContact CD2-CE3 3.77Å; L6-W27 HydrophobicContact CD2-CZ3 3.65Å; L6-T96 WeakPolarHBondContact O-CA 3.48Å; L6-M97 PolarHBondContact O-N 2.82Å; L6-V98 HydrophobicContact CB-CG1 3.87Å; L6-V98 HydrophobicContact CD2-CG1 3.98Å; L6-V98 HydrophobicContact CG-CG1 4.4Å; L6-V98 PolarHBondContact N-O 3.01Å; L6-F100 HydrophobicContact CB-CE2 3.92Å; L6-F100 HydrophobicContact CD2-CE2 4.33Å; L6-F110 HydrophobicContact CD1-CB 4.02Å; L6-F110 HydrophobicContact CD1-CD1 3.92Å; L6-F110 HydrophobicContact CD1-CG 4.07Å; L6-F110 HydrophobicContact CD2-CB 4.36Å; L6-F110 HydrophobicContact CD2-CD1 3.8Å; L6-F110 HydrophobicContact CD2-CD2 3.88Å; L6-F110 HydrophobicContact CD2-CE1 3.98Å; L6-F110 HydrophobicContact CD2-CE2 4.09Å; L6-F110 HydrophobicContact CD2-CG 3.74Å; L6-F110 HydrophobicContact CD2-CZ 4.13Å; L6-F110 HydrophobicContact CG-CD1 4.42Å; L6-H155 HydrophobicContact CD1-CB 3.81Å; L6-F157 HydrophobicContact CB-CD1 4.22Å; L6-F157 HydrophobicContact CB-CE1 3.77Å; L6-F157 HydrophobicContact CB-CZ 4.47Å; L6-F157 HydrophobicContact CD1-CD1 4.43Å; L6-F157 HydrophobicContact CD1-CE1 3.87Å; L6-F157 HydrophobicContact CD1-CE2 4.26Å; L6-F157 HydrophobicContact CD1-CZ 3.76Å; L6-F157 HydrophobicContact CG-CE1 4.29Å
7Q98.8Very high97.5Very high20 Ų2037.2 Ų37.29%0.09319%0.186CC..EExtended strand (participates in β ladder)trans-91.6126.4172.5-55.1-157.9-48.900110.2G5 F94 K95 T96 H155 R156 I158G5-Q7 PolarHBondContact O-N 3Å; Q7-F94 HydrophobicContact CB-CB 4.08Å; Q7-F94 HydrophobicContact CB-CD1 3.97Å; Q7-F94 HydrophobicContact CB-CG 4.45Å; Q7-K95 CarbonylContact C-O 3.57Å; Q7-K95 WeakPolarHBondContact CA-O 3.29Å; Q7-T96 PolarHBondContact NE2-OG1 2.86Å; Q7-T96 VanDerWaalsContact NE2-OG1 3.12Å; Q7-H155 CarbonylContact O-C 3.56Å; Q7-H155 WeakPolarHBondContact O-CA 3.27Å; Q7-H155 WeakPolarHBondContact O-CB 3.4Å; Q7-R156 HydrophobicContact CB-CG 3.92Å; Q7-R156 HydrophobicContact CG-CG 4.46Å; Q7-R156 PolarHBondContact N-O 3.14Å; Q7-R156 PolarHBondContact O-N 3.31Å; Q7-I158 HydrophobicContact CG-CD1 4.22Å; Q7-I158 HydrophobicContact CG-CG1 4.12Å; Q7-I158 HydrophobicContact CG-CG2 4.33Å
8F98.7Very high97.6Very high1 Ų135.2 Ų35.20%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-100.4144175.8-177.9-89.5000109.2A10 Y86 K95 M97 L132 V153F8-A10 HydrophobicContact CE1-CB 3.59Å; F8-A10 HydrophobicContact CZ-CB 3.92Å; F8-Y86 AromaticContact CD1-CD1 3.97Å; F8-Y86 HydrophobicContact CD1-CD1 3.97Å; F8-Y86 AromaticContact CD1-CD2 3.67Å; F8-Y86 HydrophobicContact CD1-CD2 3.67Å; F8-Y86 HydrophobicContact CD1-CE1 4.31Å; F8-Y86 HydrophobicContact CD1-CE2 4.02Å; F8-Y86 AromaticContact CD1-CG 3.63Å; F8-Y86 HydrophobicContact CD1-CG 3.63Å; F8-Y86 AromaticContact CE1-CD1 3.83Å; F8-Y86 HydrophobicContact CE1-CD1 3.83Å; F8-Y86 HydrophobicContact CE1-CD2 4.38Å; F8-Y86 HydrophobicContact CE1-CE1 4.18Å; F8-Y86 AromaticContact CE1-CG 3.94Å; F8-Y86 HydrophobicContact CE1-CG 3.94Å; F8-Y86 WeakPolarHBondContact O-CE2 3.42Å; F8-K95 PolarHBondContact N-O 3.24Å; F8-K95 PolarHBondContact O-N 2.95Å; F8-M97 HydrophobicContact CB-CB 4.11Å; F8-M97 HydrophobicContact CB-CE 3.69Å; F8-M97 HydrophobicContact CB-SD 4.24Å; F8-M97 HydrophobicContact CD1-CE 3.66Å; F8-M97 HydrophobicContact CD2-CE 3.91Å; F8-M97 HydrophobicContact CD2-SD 4.36Å; F8-M97 HydrophobicContact CE1-CE 4.21Å; F8-M97 HydrophobicContact CE2-CE 4.42Å; F8-M97 HydrophobicContact CG-CE 3.49Å; F8-M97 VanDerWaalsContact CG-CE 3.49Å; F8-M97 HydrophobicContact CG-SD 4.32Å; F8-L132 HydrophobicContact CE2-CD1 4.1Å; F8-L132 HydrophobicContact CZ-CD1 4.02Å; F8-V153 HydrophobicContact CD2-CG1 4.19Å; F8-V153 HydrophobicContact CE2-CG1 3.4Å; F8-V153 HydrophobicContact CE2-CG2 4.34Å; F8-V153 HydrophobicContact CZ-CG1 3.85Å; F8-V153 HydrophobicContact CZ-CG2 3.98Å
9K98.8Very high97.6Very high62 Ų6236.8 Ų36.827%0.2718%0.179SC..EExtended strand (participates in β ladder)trans-142138169.8166.7175.1165.6152.50108.2E92 F94 T154K9-E92 VanDerWaalsContact CD-O 3.3Å; K9-E92 WeakPolarHBondContact CD-O 3.36Å; K9-E92 WeakPolarHBondContact CE-O 3.14Å; K9-E92 PolarHBondContact NZ-O 2.76Å; K9-F94 HydrophobicContact CB-CD1 3.7Å; K9-F94 HydrophobicContact CB-CE1 3.78Å; K9-F94 HydrophobicContact CB-CG 4.13Å; K9-F94 HydrophobicContact CB-CZ 4.28Å; K9-F94 HydrophobicContact CD-CD2 4.27Å; K9-F94 HydrophobicContact CD-CE2 4.1Å; K9-F94 HydrophobicContact CD-CZ 4.3Å; K9-T154 HydrophobicContact CB-CG2 3.81Å; K9-T154 HydrophobicContact CD-CG2 4.13Å; K9-T154 HydrophobicContact CG-CG2 3.98Å; K9-T154 PolarHBondContact N-O 2.82Å; K9-T154 PolarHBondContact O-N 2.79Å; K9-T154 VanDerWaalsContact O-O 3.1Å
10A98.8Very high97.6Very high1 Ų135.9 Ų35.91%0.00818%0.176CC..EExtended strand (participates in β ladder)trans-150.7162.8172.100000109.8F8 L12 Y86 N91 E92 I150 Y151 V153F8-A10 HydrophobicContact CE1-CB 3.59Å; F8-A10 HydrophobicContact CZ-CB 3.92Å; A10-L12 HydrophobicContact CB-CD2 4.21Å; A10-Y86 HydrophobicContact CB-CE1 4.25Å; A10-Y86 PolarHBondContact N-OH 2.68Å; A10-Y86 VanDerWaalsContact N-OH 3.11Å; A10-Y86 PolarHBondContact O-OH 3.25Å; A10-N91 PolarHBondContact O-OD1 2.9Å; A10-N91 VanDerWaalsContact O-OD1 3.09Å; A10-E92 PolarHBondContact O-N 3.21Å; A10-I150 HydrophobicContact CB-CG2 3.79Å; A10-Y151 WeakPolarHBondContact CA-O 3.2Å; A10-V153 HydrophobicContact CB-CG2 3.98Å
11N98.8Very high97.6Very high53 Ų5337.9 Ų37.928%0.28319%0.187SC..EExtended strand (participates in β ladder)trans-90.9119.4163.9-178.73.6000108.9N91 E92 I150 Y151N11-N91 VanDerWaalsContact CA-OD1 3.28Å; N11-N91 WeakPolarHBondContact CA-OD1 3.23Å; N11-E92 HydrophobicContact CB-CG 4.39Å; N11-I150 WeakPolarHBondContact O-CA 3.06Å; N11-Y151 PolarHBondContact N-O 2.86Å; N11-Y151 PolarHBondContact O-N 2.79Å
12L98.8Very high98.1Very high15 Ų1534 Ų348%0.07918%0.18CC..EExtended strand (participates in β ladder)trans-102.2127.5-179.5-54.1-175.9000110.4A10 V15 V18 Y86 N91 I150A10-L12 HydrophobicContact CB-CD2 4.21Å; L12-V15 HydrophobicContact CB-CG2 4Å; L12-V15 HydrophobicContact CD2-CG2 4.08Å; L12-V15 HydrophobicContact CG-CG2 4.47Å; L12-V18 HydrophobicContact CD2-CG2 4.01Å; L12-Y86 HydrophobicContact CD1-CD1 3.74Å; L12-Y86 HydrophobicContact CD1-CE1 3.76Å; L12-Y86 HydrophobicContact CD2-CD1 4.09Å; L12-Y86 HydrophobicContact CD2-CE1 4Å; L12-Y86 HydrophobicContact CG-CD1 4.17Å; L12-Y86 HydrophobicContact CG-CE1 3.83Å; L12-N91 PolarHBondContact N-OD1 3.09Å; L12-I150 HydrophobicContact CD2-CB 4.4Å; L12-I150 HydrophobicContact CD2-CG1 4Å; L12-I150 HydrophobicContact CD2-CG2 4.07Å
13E98.7Very high98.1Very high72 Ų7236 Ų3634%0.33619%0.186SC..EExtended strand (participates in β ladder)trans-110.3113.7170.5-179.8180-162.300108.1V15 V148 G149 Y151E13-V15 PolarHBondContact O-N 3.42Å; E13-V148 CarbonylContact O-C 3.5Å; E13-V148 WeakPolarHBondContact O-CA 3.42Å; E13-G149 PolarHBondContact N-O 3.28Å; E13-G149 PolarHBondContact O-N 2.82Å; E13-Y151 HydrophobicContact CB-CE2 3.8Å; E13-Y151 VanDerWaalsContact OE2-CE2 3.24Å; E13-Y151 WeakPolarHBondContact OE2-CE2 3.46Å; E13-Y151 PolarHBondContact OE2-OH 3.09Å
14N98.6Very high98.1Very high58 Ų5837 Ų3731%0.3120%0.196SC..SBendtrans53.922.1174.1-56.5-28.8000116A121 E146 C147 V148N14-A121 WeakPolarHBondContact O-CB 3.29Å; N14-A121 PolarHBondContact O-N 3.12Å; N14-E146 HydrophobicContact CB-CG 4.17Å; N14-E146 WeakPolarHBondContact CB-OE1 3.42Å; N14-E146 VanDerWaalsContact CG-CD 3.42Å; N14-E146 VanDerWaalsContact ND2-CD 3.3Å; N14-E146 PolarHBondContact ND2-OE2 2.65Å; N14-C147 PolarHBondContact ND2-O 3Å; N14-V148 HydrophobicContact CB-CG1 3.94Å
15V98.7Very high98Very high2 Ų236.7 Ų36.71%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-127.8156.3177.1-64.80000112.7L12 E13 A118 E119 W137 V148 G149 I150L12-V15 HydrophobicContact CB-CG2 4Å; L12-V15 HydrophobicContact CD2-CG2 4.08Å; L12-V15 HydrophobicContact CG-CG2 4.47Å; E13-V15 PolarHBondContact O-N 3.42Å; V15-A118 HydrophobicContact CB-CB 4.48Å; V15-E119 CarbonylContact C-O 3.55Å; V15-E119 VanDerWaalsContact CA-O 3.29Å; V15-E119 WeakPolarHBondContact CA-O 3.29Å; V15-W137 HydrophobicContact CG1-CZ3 4.42Å; V15-V148 HydrophobicContact CG1-CB 3.49Å; V15-V148 VanDerWaalsContact CG1-CB 3.49Å; V15-V148 HydrophobicContact CG1-CG1 3.73Å; V15-V148 HydrophobicContact CG1-CG2 4.4Å; V15-G149 VanDerWaalsContact CG2-O 3.24Å; V15-G149 WeakPolarHBondContact CG2-O 3.01Å; V15-I150 HydrophobicContact CG2-CG1 3.84Å
16T98.8Very high98Very high31 Ų3142.7 Ų42.719%0.1922%0.217CC..EExtended strand (participates in β ladder)trans-144.4-179.1174.2-165.50000110.2V18 A88 E119T16-V18 PolarHBondContact O-N 2.92Å; T16-V18 VanDerWaalsContact O-N 3.17Å; T16-A88 PolarHBondContact OG1-N 2.85Å; T16-A88 VanDerWaalsContact OG1-N 3.16Å; T16-E119 HydrophobicContact CG2-CB 4.45Å; T16-E119 PolarHBondContact N-O 3.03Å; T16-E119 PolarHBondContact O-N 2.98Å
17N98.6Very high98Very high34 Ų3442.8 Ų42.818%0.18222%0.217CC..EExtended strand (participates in β ladder)trans55.236.2173.8-159.112.5000114.1R19 P85 Y86 N87 E119N17-R19 PolarHBondContact ND2-NH1 2.98Å; N17-R19 PolarHBondContact O-N 3Å; N17-R19 PolarHBondContact O-NH1 2.78Å; N17-P85 VanDerWaalsContact OD1-CB 3.23Å; N17-P85 WeakPolarHBondContact OD1-CB 3.4Å; N17-Y86 PolarHBondContact N-O 2.95Å; N17-N87 WeakPolarHBondContact CA-OD1 3.44Å; N17-N87 PolarHBondContact N-OD1 2.84Å; N17-E119 HydrophobicContact CB-CB 4.44Å; N17-E119 PolarHBondContact ND2-OE1 2.51Å; N17-E119 PolarHBondContact ND2-OE2 3.01Å
18V98.8Very high98Very high0 Ų043 Ų430%022%0.218CC..EExtended strand (participates in β ladder)trans-67.6115.7176.9-176.80000108.7L12 T16 P85 Y86 F116 A117 A118 I150L12-V18 HydrophobicContact CD2-CG2 4.01Å; T16-V18 PolarHBondContact O-N 2.92Å; T16-V18 VanDerWaalsContact O-N 3.17Å; V18-P85 CarbonylContact O-C 3.52Å; V18-P85 WeakPolarHBondContact O-CA 3.42Å; V18-Y86 PolarHBondContact N-O 3Å; V18-Y86 PolarHBondContact O-N 3.14Å; V18-F116 HydrophobicContact CG1-CD1 4.22Å; V18-A117 CarbonylContact C-O 3.56Å; V18-A117 VanDerWaalsContact CA-O 3.26Å; V18-A117 WeakPolarHBondContact CA-O 3.44Å; V18-A118 HydrophobicContact CG2-CB 4.07Å; V18-I150 HydrophobicContact CB-CD1 4.49Å; V18-I150 HydrophobicContact CG1-CD1 3.95Å; V18-I150 HydrophobicContact CG2-CD1 3.67Å; V18-I150 HydrophobicContact CG2-CG1 4.17Å
19R98.4Very high98Very high66 Ų6643 Ų4325%0.24922%0.218CC..EExtended strand (participates in β ladder)trans-150.4153-17167.3-170.5179.8-8514.2112.5N17 P85 F116 A117 E119N17-R19 PolarHBondContact ND2-NH1 2.98Å; N17-R19 PolarHBondContact O-N 3Å; N17-R19 PolarHBondContact O-NH1 2.78Å; R19-P85 HydrophobicContact CB-CB 4.09Å; R19-F116 CarbonylContact O-C 3.54Å; R19-F116 VanDerWaalsContact O-CA 3.26Å; R19-F116 WeakPolarHBondContact O-CA 3.47Å; R19-A117 PolarHBondContact N-O 2.78Å; R19-A117 PolarHBondContact O-N 3.28Å; R19-E119 IonicContact CZ-OE1 3.57Å; R19-E119 IonicContact NH1-OE1 3.46Å; R19-E119 PolarHBondContact NH1-OE1 3.1Å; R19-E119 IonicContact NH2-OE1 2.93Å; R19-E119 PolarHBondContact NH2-OE1 2.88Å
20P97.9Very high98Very high18 Ų1841.5 Ų41.512%0.11721%0.212CC..EExtended strand (participates in β ladder)trans-61.9136.1164.129.9-36.5000109.6F25 W27 I83P20-F25 HydrophobicContact CB-CB 4.08Å; P20-F25 HydrophobicContact CB-CD1 3.58Å; P20-F25 HydrophobicContact CB-CD2 3.54Å; P20-F25 HydrophobicContact CB-CE1 3.84Å; P20-F25 HydrophobicContact CB-CE2 3.8Å; P20-F25 HydrophobicContact CB-CG 3.42Å; P20-F25 VanDerWaalsContact CB-CG 3.42Å; P20-F25 HydrophobicContact CB-CZ 3.94Å; P20-W27 HydrophobicContact CB-CZ2 4.13Å; P20-W27 HydrophobicContact CG-CH2 4.17Å; P20-W27 HydrophobicContact CG-CZ2 3.82Å; P20-I83 HydrophobicContact CG-CG2 3.66Å
21L95.9Very high97.9Very high78 Ų7841.5 Ų41.541%0.40821%0.212SC..  trans-108.4129.3177.8-16971000109.8G115 A117 P128L21-G115 WeakPolarHBondContact CB-O 3.42Å; L21-G115 PolarHBondContact N-O 2.96Å; L21-A117 HydrophobicContact CB-CB 4.13Å; L21-A117 HydrophobicContact CD1-CB 4.24Å; L21-A117 HydrophobicContact CD2-CB 4.19Å; L21-A117 HydrophobicContact CG-CB 4.42Å; L21-P128 HydrophobicContact CD2-CB 4.33Å
22G95.1Very high97.9Very high46 Ų4641.8 Ų41.847%0.47421%0.21SC..SBendtrans84.1159.9178.300000114.7D24G22-D24 VanDerWaalsContact C-N 3.33Å
23E94.9Very high97.9Very high90 Ų9041.2 Ų41.242%0.42121%0.208SC..THydrogen-bonded Turntrans-79.9-19.4177.3-60.8-164.717800112.8F25 L48 T49 R80E23-F25 VanDerWaalsContact C-N 3.25Å; E23-L48 HydrophobicContact CB-CB 4.1Å; E23-L48 WeakPolarHBondContact O-CB 3.48Å; E23-L48 PolarHBondContact O-N 2.84Å; E23-T49 HydrophobicContact CB-CG2 3.75Å; E23-T49 PolarHBondContact O-N 2.95Å; E23-R80 VanDerWaalsContact CD-NH1 3.3Å; E23-R80 IonicContact OE1-CZ 3.34Å; E23-R80 IonicContact OE1-NH1 2.84Å; E23-R80 PolarHBondContact OE1-NH1 2.88Å; E23-R80 IonicContact OE1-NH2 3.77Å; E23-R80 PolarHBondContact OE1-NH2 2.87Å; E23-R80 IonicContact OE2-CZ 2.85Å; E23-R80 IonicContact OE2-NH1 3.39Å; E23-R80 IonicContact OE2-NH2 2.95Å; E23-R80 PolarHBondContact OE2-NH2 3.11Å
24D96.4Very high97.8Very high111 Ų11140.3 Ų40.359%0.59422%0.218SC*.THydrogen-bonded Turntrans-83.21.2175.763.9-36.9000113.1G22 R26 T49G22-D24 VanDerWaalsContact C-N 3.33Å; D24-R26 PolarHBondContact O-N 2.97Å; D24-T49 HydrophobicContact CB-CG2 4.35Å
25F98.1Very high97.7Very high10 Ų1042 Ų424%0.04423%0.226CC..  trans-52.5129.4173.1-177.4-89000111.2P20 E23 W27 G115 F116P20-F25 HydrophobicContact CB-CB 4.08Å; P20-F25 HydrophobicContact CB-CD1 3.58Å; P20-F25 HydrophobicContact CB-CD2 3.54Å; P20-F25 HydrophobicContact CB-CE1 3.84Å; P20-F25 HydrophobicContact CB-CE2 3.8Å; P20-F25 HydrophobicContact CB-CG 3.42Å; P20-F25 VanDerWaalsContact CB-CG 3.42Å; P20-F25 HydrophobicContact CB-CZ 3.94Å; E23-F25 VanDerWaalsContact C-N 3.25Å; F25-W27 AromaticContact CD1-CD1 3.83Å; F25-W27 AromaticContact CD1-CD2 3.96Å; F25-W27 HydrophobicContact CD1-CD2 3.96Å; F25-W27 AromaticContact CD1-CE2 3.65Å; F25-W27 HydrophobicContact CD1-CG 4.11Å; F25-W27 HydrophobicContact CD1-CZ2 4.12Å; F25-W27 AromaticContact CD1-NE1 3.57Å; F25-W27 AromaticContact CE1-CD2 3.59Å; F25-W27 HydrophobicContact CE1-CD2 3.59Å; F25-W27 AromaticContact CE1-CE2 3.63Å; F25-W27 AromaticContact CE1-CE3 3.86Å; F25-W27 HydrophobicContact CE1-CE3 3.86Å; F25-W27 HydrophobicContact CE1-CG 4.02Å; F25-W27 HydrophobicContact CE1-CH2 4.18Å; F25-W27 AromaticContact CE1-CZ2 3.97Å; F25-W27 HydrophobicContact CE1-CZ2 3.97Å; F25-W27 HydrophobicContact CE1-CZ3 4.13Å; F25-G115 WeakPolarHBondContact CD2-O 3.37Å; F25-G115 WeakPolarHBondContact CE2-O 3.13Å; F25-F116 AromaticContact CE2-CD2 3.83Å; F25-F116 HydrophobicContact CE2-CD2 3.83Å; F25-F116 AromaticContact CE2-CE2 3.78Å; F25-F116 HydrophobicContact CE2-CE2 3.78Å; F25-F116 HydrophobicContact CE2-CG 4.23Å; F25-F116 HydrophobicContact CE2-CZ 4.13Å; F25-F116 HydrophobicContact CZ-CD2 4.02Å; F25-F116 HydrophobicContact CZ-CE1 4.16Å; F25-F116 AromaticContact CZ-CE2 3.47Å; F25-F116 HydrophobicContact CZ-CE2 3.47Å; F25-F116 VanDerWaalsContact CZ-CE2 3.47Å; F25-F116 AromaticContact CZ-CZ 3.55Å; F25-F116 HydrophobicContact CZ-CZ 3.55Å
26R98.3Very high97.7Very high127 Ų12744.1 Ų44.148%0.47924%0.241SC..  trans-98.9110.7-174.6-68.4-179.3-174.8167.52.5110.9D24 F28 Y45 T47D24-R26 PolarHBondContact O-N 2.97Å; R26-F28 HydrophobicContact CB-CD2 3.96Å; R26-F28 HydrophobicContact CB-CE2 3.4Å; R26-F28 VanDerWaalsContact CB-CE2 3.4Å; R26-F28 HydrophobicContact CB-CZ 3.89Å; R26-F28 HydrophobicContact CG-CE2 4.39Å; R26-F28 HydrophobicContact CG-CZ 4.47Å; R26-F28 WeakPolarHBondContact O-CD2 3.44Å; R26-F28 PolarHBondContact O-N 3.22Å; R26-Y45 HydrophobicContact CB-CD2 4.48Å; R26-Y45 HydrophobicContact CB-CG 4.27Å; R26-Y45 HydrophobicContact CG-CD2 3.96Å; R26-Y45 HydrophobicContact CG-CG 4.12Å; R26-T47 HydrophobicContact CG-CG2 3.82Å
27W98.4Very high97.7Very high3 Ų344.7 Ų44.71%0.01125%0.253CS..EExtended strand (participates in β ladder)trans-82.596169.2-61.791.8000109.8L6 P20 F25 L29 Y45 V46 M97 V98 F100 F110L6-W27 HydrophobicContact CD2-CE3 3.77Å; L6-W27 HydrophobicContact CD2-CZ3 3.65Å; P20-W27 HydrophobicContact CB-CZ2 4.13Å; P20-W27 HydrophobicContact CG-CH2 4.17Å; P20-W27 HydrophobicContact CG-CZ2 3.82Å; F25-W27 AromaticContact CD1-CD1 3.83Å; F25-W27 AromaticContact CD1-CD2 3.96Å; F25-W27 HydrophobicContact CD1-CD2 3.96Å; F25-W27 AromaticContact CD1-CE2 3.65Å; F25-W27 HydrophobicContact CD1-CG 4.11Å; F25-W27 HydrophobicContact CD1-CZ2 4.12Å; F25-W27 AromaticContact CD1-NE1 3.57Å; F25-W27 AromaticContact CE1-CD2 3.59Å; F25-W27 HydrophobicContact CE1-CD2 3.59Å; F25-W27 AromaticContact CE1-CE2 3.63Å; F25-W27 AromaticContact CE1-CE3 3.86Å; F25-W27 HydrophobicContact CE1-CE3 3.86Å; F25-W27 HydrophobicContact CE1-CG 4.02Å; F25-W27 HydrophobicContact CE1-CH2 4.18Å; F25-W27 AromaticContact CE1-CZ2 3.97Å; F25-W27 HydrophobicContact CE1-CZ2 3.97Å; F25-W27 HydrophobicContact CE1-CZ3 4.13Å; W27-L29 HydrophobicContact CB-CG 4.5Å; W27-L29 PolarHBondContact O-N 2.84Å; W27-Y45 VanDerWaalsContact O-CA 3.28Å; W27-Y45 WeakPolarHBondContact O-CA 3.45Å; W27-V46 HydrophobicContact CB-CG2 3.78Å; W27-V46 HydrophobicContact CG-CG2 4.44Å; W27-V46 PolarHBondContact N-O 3.17Å; W27-V46 PolarHBondContact O-N 2.82Å; W27-M97 HydrophobicContact CH2-CG 4.09Å; W27-M97 HydrophobicContact CH2-SD 4.04Å; W27-M97 HydrophobicContact CZ3-SD 4.38Å; W27-V98 HydrophobicContact CD2-CG1 4.17Å; W27-V98 HydrophobicContact CE3-CG1 3.88Å; W27-V98 HydrophobicContact CH2-CB 3.86Å; W27-V98 HydrophobicContact CH2-CG1 3.45Å; W27-V98 VanDerWaalsContact CH2-CG1 3.45Å; W27-V98 HydrophobicContact CZ2-CB 3.84Å; W27-V98 HydrophobicContact CZ2-CG1 3.73Å; W27-V98 HydrophobicContact CZ2-CG2 4.14Å; W27-V98 HydrophobicContact CZ3-CB 4.44Å; W27-V98 HydrophobicContact CZ3-CG1 3.53Å; W27-F100 HydrophobicContact CB-CE1 4.35Å; W27-F100 HydrophobicContact CB-CZ 4.25Å; W27-F100 HydrophobicContact CD2-CZ 4.17Å; W27-F100 HydrophobicContact CE3-CZ 4.31Å; W27-F100 HydrophobicContact CG-CE1 4.26Å; W27-F100 HydrophobicContact CG-CZ 4.17Å; W27-F110 HydrophobicContact CE3-CD2 4.48Å; W27-F110 AromaticContact CE3-CE2 3.72Å; W27-F110 HydrophobicContact CE3-CE2 3.72Å; W27-F110 HydrophobicContact CE3-CZ 4.04Å; W27-F110 HydrophobicContact CZ3-CE2 4.23Å; W27-F110 HydrophobicContact CZ3-CZ 4.07Å
28F98.6Very high97.6Very high26 Ų2646.5 Ų46.511%0.11426%0.26CS..EExtended strand (participates in β ladder)trans-77.5116.3177.2-66.3-92.8000111.3R26 W43 Q44 Y45 F110 Q111 Q113R26-F28 HydrophobicContact CB-CD2 3.96Å; R26-F28 HydrophobicContact CB-CE2 3.4Å; R26-F28 VanDerWaalsContact CB-CE2 3.4Å; R26-F28 HydrophobicContact CB-CZ 3.89Å; R26-F28 HydrophobicContact CG-CE2 4.39Å; R26-F28 HydrophobicContact CG-CZ 4.47Å; R26-F28 WeakPolarHBondContact O-CD2 3.44Å; R26-F28 PolarHBondContact O-N 3.22Å; F28-W43 HydrophobicContact CB-CE3 4.32Å; F28-W43 HydrophobicContact CD1-CB 4.27Å; F28-Q44 CarbonylContact C-O 3.53Å; F28-Q44 WeakPolarHBondContact CA-O 3.48Å; F28-Y45 HydrophobicContact CD1-CD1 4.35Å; F28-Y45 AromaticContact CE1-CD1 3.77Å; F28-Y45 HydrophobicContact CE1-CD1 3.77Å; F28-Y45 HydrophobicContact CE1-CG 4.25Å; F28-Y45 HydrophobicContact CZ-CD1 4.31Å; F28-F110 WeakPolarHBondContact O-CA 3.16Å; F28-F110 VanDerWaalsContact O-CD2 3.3Å; F28-F110 WeakPolarHBondContact O-CD2 3.25Å; F28-Q111 HydrophobicContact CB-CB 4.25Å; F28-Q111 WeakPolarHBondContact CB-O 3.43Å; F28-Q111 PolarHBondContact O-N 2.67Å; F28-Q113 HydrophobicContact CD2-CB 4.22Å; F28-Q113 VanDerWaalsContact CD2-CD 3.44Å; F28-Q113 HydrophobicContact CD2-CG 3.71Å; F28-Q113 HydrophobicContact CE2-CB 4.13Å; F28-Q113 HydrophobicContact CE2-CG 3.91Å; F28-Q113 HydrophobicContact CG-CG 4.39Å; F28-Q113 VanDerWaalsContact CZ-OE1 3.25Å
29L98.6Very high97.6Very high0 Ų048.9 Ų48.90%028%0.275CS..EExtended strand (participates in β ladder)trans-127.6148.5-172-60170.8000111.8W27 L31 Q44 V46 I76 F100 P107 D109 F110 F157W27-L29 HydrophobicContact CB-CG 4.5Å; W27-L29 PolarHBondContact O-N 2.84Å; L29-L31 HydrophobicContact CB-CD2 3.83Å; L29-L31 HydrophobicContact CB-CG 4.11Å; L29-L31 HydrophobicContact CD1-CD2 4.05Å; L29-Q44 PolarHBondContact N-O 3Å; L29-Q44 PolarHBondContact O-N 2.95Å; L29-Q44 VanDerWaalsContact O-N 3.12Å; L29-V46 HydrophobicContact CD1-CG2 4.07Å; L29-I76 HydrophobicContact CD1-CD1 3.93Å; L29-F100 HydrophobicContact CD1-CE1 4.03Å; L29-F100 HydrophobicContact CD1-CE2 4.34Å; L29-F100 HydrophobicContact CD1-CZ 3.94Å; L29-F100 HydrophobicContact CD2-CE2 4.49Å; L29-F100 HydrophobicContact CD2-CZ 4.43Å; L29-P107 HydrophobicContact CD2-CB 4.48Å; L29-D109 WeakPolarHBondContact CA-O 3.23Å; L29-F110 HydrophobicContact CD2-CB 4.14Å; L29-F110 HydrophobicContact CD2-CD2 3.99Å; L29-F157 HydrophobicContact CD2-CE1 4.39Å; L29-F157 HydrophobicContact CD2-CZ 3.79Å
30K98.3Very high97.4Very high30 Ų3047.3 Ų47.313%0.1327%0.273CS..EExtended strand (participates in β ladder)trans-92.6125.3155.2-67.3-67.7-172151.50108.8V39 P40 D41 W43 P107 I108 D109K30-V39 HydrophobicContact CB-CG1 4.4Å; K30-V39 HydrophobicContact CD-CG1 4.4Å; K30-P40 PolarHBondContact NZ-O 3.25Å; K30-D41 PolarHBondContact NZ-O 3.37Å; K30-W43 HydrophobicContact CB-CZ3 4.48Å; K30-W43 HydrophobicContact CD-CD2 4.44Å; K30-W43 HydrophobicContact CD-CE3 4.34Å; K30-W43 HydrophobicContact CG-CD2 4.41Å; K30-W43 HydrophobicContact CG-CE3 3.95Å; K30-W43 HydrophobicContact CG-CH2 3.95Å; K30-W43 HydrophobicContact CG-CZ2 4.39Å; K30-W43 HydrophobicContact CG-CZ3 3.72Å; K30-P107 WeakPolarHBondContact O-CA 3.32Å; K30-I108 HydrophobicContact CB-CD1 4.3Å; K30-I108 HydrophobicContact CB-CG1 3.76Å; K30-I108 WeakPolarHBondContact O-CG1 3.46Å; K30-I108 PolarHBondContact O-N 2.84Å; K30-D109 HydrophobicContact CB-CB 3.64Å; K30-D109 HydrophobicContact CG-CB 3.68Å; K30-D109 PolarHBondContact N-O 2.97Å
31L98.3Very high97.2Very high2 Ų254 Ų541%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-116119-175.6-57.2171.9000108.9L29 P40 Q44 M63 I76 L105 P107L29-L31 HydrophobicContact CB-CD2 3.83Å; L29-L31 HydrophobicContact CB-CG 4.11Å; L29-L31 HydrophobicContact CD1-CD2 4.05Å; L31-P40 VanDerWaalsContact O-CD 3.27Å; L31-P40 WeakPolarHBondContact O-CD 3.44Å; L31-Q44 HydrophobicContact CD1-CB 4.4Å; L31-M63 HydrophobicContact CD1-SD 4.14Å; L31-I76 HydrophobicContact CD1-CG2 4.29Å; L31-I76 HydrophobicContact CD2-CD1 3.82Å; L31-L105 HydrophobicContact CB-CD2 4.23Å; L31-L105 HydrophobicContact CD1-CD1 4.1Å; L31-P107 HydrophobicContact CD2-CB 3.97Å
32K98.3Very high97.2Very high58 Ų5858.4 Ų58.425%0.25232%0.324SS..EExtended strand (participates in β ladder)trans-89.7131.2175.4-174.1-179.472.9-1640110G34 E38 V39 L105 E106 I108K32-G34 PolarHBondContact O-N 2.93Å; K32-E38 CarbonylContact C-O 3.57Å; K32-E38 WeakPolarHBondContact CA-O 3.29Å; K32-V39 HydrophobicContact CB-CG2 3.84Å; K32-V39 HydrophobicContact CG-CG2 3.82Å; K32-L105 CarbonylContact O-C 3.59Å; K32-L105 WeakPolarHBondContact O-CA 3.42Å; K32-E106 HydrophobicContact CB-CB 4.39Å; K32-E106 VanDerWaalsContact CE-CD 3.46Å; K32-E106 WeakPolarHBondContact CE-OE2 3.48Å; K32-E106 PolarHBondContact N-O 2.85Å; K32-E106 IonicContact NZ-OE1 2.86Å; K32-E106 PolarHBondContact NZ-OE1 2.87Å; K32-E106 IonicContact NZ-OE2 2.79Å; K32-E106 PolarHBondContact NZ-OE2 3.12Å; K32-E106 PolarHBondContact O-N 2.84Å; K32-I108 HydrophobicContact CB-CD1 4.28Å; K32-I108 HydrophobicContact CB-CG1 4.48Å; K32-I108 HydrophobicContact CB-CG2 3.79Å; K32-I108 HydrophobicContact CD-CG2 4.29Å
33C98.2Very high97.3Very high4 Ų460 Ų603%0.02732%0.316CS..EExtended strand (participates in β ladder)trans-68.9118.9171.2-176.30000109.8N35 G37 E38 C67C33-N35 PolarHBondContact O-N 3.37Å; C33-G37 VanDerWaalsContact O-CA 3.28Å; C33-G37 WeakPolarHBondContact O-CA 3.26Å; C33-G37 PolarHBondContact O-N 2.82Å; C33-E38 HydrophobicContact CB-CB 4.21Å; C33-E38 PolarHBondContact N-O 2.91Å; C33-C67 HydrophobicContact CB-CB 4.43Å
34G96.7Very high97.4Very high53 Ų5357.1 Ų57.155%0.54630%0.302SS..THydrogen-bonded Turntrans-68.2-3178.200000114.7K32 G104K32-G34 PolarHBondContact O-N 2.93Å; G34-G104 PolarHBondContact N-O 3.47Å
35N97.4Very high97.4Very high92 Ų9256 Ų5649%0.49229%0.29SS..THydrogen-bonded Turntrans-98.2-50.1178.8-166.680.8000113.3C33 R72C33-N35 PolarHBondContact O-N 3.37Å; N35-R72 PolarHBondContact OD1-NH1 3.41Å
36C97.8Very high97.4Very high48 Ų4855.6 Ų55.632%0.32429%0.288SS..THydrogen-bonded Turntrans-119.60.5-174.665.90000113.6E38 C67 L69 C70C36-E38 VanDerWaalsContact C-N 3.25Å; C36-E38 PolarHBondContact O-N 3.16Å; C36-C67 PolarHBondContact SG-SG 3.24Å; C36-L69 HydrophobicContact CB-CD2 4.2Å; C36-C70 HydrophobicContact CB-CB 3.82Å; C36-C70 PolarHBondContact SG-SG 3.02Å
37G97.7Very high97.4Very high42 Ų4249.7 Ų49.743%0.43327%0.267SS..  trans77.80.6179.100000115.5C33 V39C33-G37 VanDerWaalsContact O-CA 3.28Å; C33-G37 WeakPolarHBondContact O-CA 3.26Å; C33-G37 PolarHBondContact O-N 2.82Å; G37-V39 PolarHBondContact O-N 2.91Å
38E98.1Very high97.3Very high73 Ų7351.3 Ų51.334%0.34128%0.275SS..  trans-58.2132.2-178.7-18065.5-176.700111.9K32 C33 C36 L69K32-E38 CarbonylContact C-O 3.57Å; K32-E38 WeakPolarHBondContact CA-O 3.29Å; C33-E38 HydrophobicContact CB-CB 4.21Å; C33-E38 PolarHBondContact N-O 2.91Å; C36-E38 VanDerWaalsContact C-N 3.25Å; C36-E38 PolarHBondContact O-N 3.16Å; E38-L69 HydrophobicContact CB-CB 4.06Å; E38-L69 HydrophobicContact CB-CD2 4.24Å; E38-L69 HydrophobicContact CG-CB 4.05Å
39V97.8Very high97.2Very high50 Ų5054 Ų5430%0.30329%0.294SS..  trans-125.3116.8175.3-179.70000108.6K30 K32 G37 I108K30-V39 HydrophobicContact CB-CG1 4.4Å; K30-V39 HydrophobicContact CD-CG1 4.4Å; K32-V39 HydrophobicContact CB-CG2 3.84Å; K32-V39 HydrophobicContact CG-CG2 3.82Å; G37-V39 PolarHBondContact O-N 2.91Å; V39-I108 HydrophobicContact CB-CD1 4.42Å; V39-I108 HydrophobicContact CG1-CD1 3.84Å; V39-I108 HydrophobicContact CG2-CD1 3.63Å
40P93.8Very high97Very high33 Ų3357.4 Ų57.421%0.21431%0.31CS..  trans-63.7140.6177-25.236.3000113.7K30 L31 K42K30-P40 PolarHBondContact NZ-O 3.25Å; L31-P40 VanDerWaalsContact O-CD 3.27Å; L31-P40 WeakPolarHBondContact O-CD 3.44Å; P40-K42 PolarHBondContact O-N 2.84Å
41D93.9Very high96.7Very high157 Ų15759.8 Ų59.884%0.8433%0.33SS*.SBendtrans-63.2-26.1177.3-64.4-28000113.8K30K30-D41 PolarHBondContact NZ-O 3.37Å
42K95.7Very high96.5Very high171 Ų17162.5 Ų62.574%0.74335%0.347SS*.SBendtrans-92.1146.1179.1-62.2-173.4-179.9-173.80111.3P40P40-K42 PolarHBondContact O-N 2.84Å
43W97.4Very high96.1Very high81 Ų8164.7 Ų64.731%0.30737%0.367SS..  trans-62.2142164.7-68.1101.2000110F28 K30 D109 Q111F28-W43 HydrophobicContact CB-CE3 4.32Å; F28-W43 HydrophobicContact CD1-CB 4.27Å; K30-W43 HydrophobicContact CB-CZ3 4.48Å; K30-W43 HydrophobicContact CD-CD2 4.44Å; K30-W43 HydrophobicContact CD-CE3 4.34Å; K30-W43 HydrophobicContact CG-CD2 4.41Å; K30-W43 HydrophobicContact CG-CE3 3.95Å; K30-W43 HydrophobicContact CG-CH2 3.95Å; K30-W43 HydrophobicContact CG-CZ2 4.39Å; K30-W43 HydrophobicContact CG-CZ3 3.72Å; W43-D109 HydrophobicContact CH2-CB 3.89Å; W43-D109 VanDerWaalsContact CH2-CG 3.49Å; W43-D109 WeakPolarHBondContact CH2-OD2 3.5Å; W43-D109 HydrophobicContact CZ3-CB 4.17Å; W43-Q111 HydrophobicContact CD2-CB 4.05Å; W43-Q111 HydrophobicContact CE3-CB 3.94Å; W43-Q111 HydrophobicContact CH2-CB 3.66Å; W43-Q111 HydrophobicContact CZ2-CB 3.78Å; W43-Q111 HydrophobicContact CZ3-CB 3.73Å
44Q97.3Very high95.7Very high29 Ų2965.2 Ų65.214%0.13637%0.369CS..EExtended strand (participates in β ladder)trans-118.4142174.6-65.6161.189.900107.2F28 L29 L31 M63 Q65F28-Q44 CarbonylContact C-O 3.53Å; F28-Q44 WeakPolarHBondContact CA-O 3.48Å; L29-Q44 PolarHBondContact N-O 3Å; L29-Q44 PolarHBondContact O-N 2.95Å; L29-Q44 VanDerWaalsContact O-N 3.12Å; L31-Q44 HydrophobicContact CD1-CB 4.4Å; Q44-M63 HydrophobicContact CB-CE 4.22Å; Q44-Q65 VanDerWaalsContact OE1-CD 3.26Å; Q44-Q65 VanDerWaalsContact OE1-OE1 3.06Å
45Y97.4Very high95.1Very high87 Ų8769.1 Ų69.134%0.34137%0.371SS..EExtended strand (participates in β ladder)trans-112.9149.6174.562.1-97.8000111.3R26 W27 F28 T47 M63R26-Y45 HydrophobicContact CB-CD2 4.48Å; R26-Y45 HydrophobicContact CB-CG 4.27Å; R26-Y45 HydrophobicContact CG-CD2 3.96Å; R26-Y45 HydrophobicContact CG-CG 4.12Å; W27-Y45 VanDerWaalsContact O-CA 3.28Å; W27-Y45 WeakPolarHBondContact O-CA 3.45Å; F28-Y45 HydrophobicContact CD1-CD1 4.35Å; F28-Y45 AromaticContact CE1-CD1 3.77Å; F28-Y45 HydrophobicContact CE1-CD1 3.77Å; F28-Y45 HydrophobicContact CE1-CG 4.25Å; F28-Y45 HydrophobicContact CZ-CD1 4.31Å; Y45-T47 HydrophobicContact CD2-CG2 4.11Å; Y45-T47 HydrophobicContact CE2-CG2 4.47Å; Y45-M63 WeakPolarHBondContact O-CE 3.38Å
46V97.8Very high94.3Very high1 Ų168.5 Ų68.51%0.00639%0.387CS..EExtended strand (participates in β ladder)trans-120.6145.2165.6-680000108.7W27 L29 M63 I76 I78 F100W27-V46 HydrophobicContact CB-CG2 3.78Å; W27-V46 HydrophobicContact CG-CG2 4.44Å; W27-V46 PolarHBondContact N-O 3.17Å; W27-V46 PolarHBondContact O-N 2.82Å; L29-V46 HydrophobicContact CD1-CG2 4.07Å; V46-M63 HydrophobicContact CG1-CB 3.77Å; V46-M63 HydrophobicContact CG1-CE 3.52Å; V46-M63 HydrophobicContact CG1-SD 4.32Å; V46-I76 HydrophobicContact CG1-CG2 3.75Å; V46-I78 HydrophobicContact CB-CD1 4.12Å; V46-I78 HydrophobicContact CB-CG1 4.32Å; V46-I78 HydrophobicContact CG2-CD1 3.83Å; V46-I78 HydrophobicContact CG2-CG1 3.85Å; V46-F100 HydrophobicContact CG2-CE1 4.01Å
47T97.9Very high93.4Very high4 Ų470 Ų703%0.02541%0.41CS..  trans-125.8164.6174.769.60000110.2R26 Y45 T49 E50 S62 I78R26-T47 HydrophobicContact CG-CG2 3.82Å; Y45-T47 HydrophobicContact CD2-CG2 4.11Å; Y45-T47 HydrophobicContact CE2-CG2 4.47Å; T47-T49 VanDerWaalsContact C-N 3.27Å; T47-T49 WeakPolarHBondContact CB-OG1 3.22Å; T47-T49 PolarHBondContact OG1-N 2.88Å; T47-T49 PolarHBondContact OG1-OG1 2.88Å; T47-E50 WeakPolarHBondContact OG1-CG 3.31Å; T47-E50 PolarHBondContact OG1-N 2.86Å; T47-E50 VanDerWaalsContact OG1-N 3.1Å; T47-S62 PolarHBondContact O-OG 2.9Å; T47-I78 WeakPolarHBondContact O-CD1 3.47Å
48L96.6Very high92.6Very high36 Ų3675 Ų7519%0.18842%0.416CS..SBendtrans-74.7-22.1171.6-70.1170.4000112.1E23 I78 R80 I83E23-L48 HydrophobicContact CB-CB 4.1Å; E23-L48 WeakPolarHBondContact O-CB 3.48Å; E23-L48 PolarHBondContact O-N 2.84Å; L48-I78 HydrophobicContact CD2-CB 3.81Å; L48-I78 HydrophobicContact CD2-CD1 4.25Å; L48-I78 HydrophobicContact CD2-CG2 3.65Å; L48-I78 HydrophobicContact CG-CD1 4.32Å; L48-I78 HydrophobicContact CG-CG2 4.43Å; L48-R80 HydrophobicContact CD1-CG 4.5Å; L48-R80 HydrophobicContact CD2-CB 4Å; L48-R80 HydrophobicContact CD2-CG 4.44Å; L48-I83 HydrophobicContact CD1-CD1 3.8Å; L48-I83 HydrophobicContact CD2-CD1 4.4Å; L48-I83 HydrophobicContact CG-CD1 4.42Å
49T96.1Very high92.1Very high83 Ų8373.9 Ų73.951%0.50942%0.424SS..SBendtrans-73.6-28.1177.648.80000113.4E23 D24 T47E23-T49 HydrophobicContact CB-CG2 3.75Å; E23-T49 PolarHBondContact O-N 2.95Å; D24-T49 HydrophobicContact CB-CG2 4.35Å; T47-T49 VanDerWaalsContact C-N 3.27Å; T47-T49 WeakPolarHBondContact CB-OG1 3.22Å; T47-T49 PolarHBondContact OG1-N 2.88Å; T47-T49 PolarHBondContact OG1-OG1 2.88Å
50E94Very high91.7Very high71 Ų7174.2 Ų74.233%0.33243%0.428SS..  trans-76.1132.3176.3-73.8-178.1-178.100110.7T47 S62T47-E50 WeakPolarHBondContact OG1-CG 3.31Å; T47-E50 PolarHBondContact OG1-N 2.86Å; T47-E50 VanDerWaalsContact OG1-N 3.1Å; E50-S62 VanDerWaalsContact CB-O 3.31Å; E50-S62 WeakPolarHBondContact CB-O 3.4Å; E50-S62 WeakPolarHBondContact O-CA 3.15Å
51S92.4Very high91.8Very high81 Ų8172.7 Ų72.757%0.56642%0.418SS*.  trans-145.8102.5177.4-175.60000109.3S60S51-S60 WeakPolarHBondContact OG-CB 3.36Å; S51-S60 PolarHBondContact OG-OG 3.41Å
52V93.6Very high91.8Very high58 Ų5865.4 Ų65.435%0.35238%0.38SS..EExtended strand (participates in β ladder)trans-104.3124.8-176-175.20000109.4L54 S60 A61 V64V52-L54 PolarHBondContact O-N 2.97Å; V52-S60 CarbonylContact O-C 3.5Å; V52-S60 WeakPolarHBondContact O-CA 3.22Å; V52-S60 WeakPolarHBondContact O-CB 3.26Å; V52-A61 PolarHBondContact N-O 2.94Å; V52-A61 PolarHBondContact O-N 2.67Å; V52-V64 HydrophobicContact CB-CB 4.43Å; V52-V64 HydrophobicContact CB-CG2 3.97Å; V52-V64 HydrophobicContact CG1-CB 3.93Å; V52-V64 HydrophobicContact CG1-CG2 3.79Å
53P91.3Very high91.9Very high104 Ų10458.5 Ų58.568%0.67535%0.35SS*.EExtended strand (participates in β ladder)trans-60.7134.9179.6-24.133.5000113.1
54L89.2Confident91.8Very high16 Ų1656.5 Ų56.58%0.08435%0.347CS..PPolyproline II helixtrans-86.2140.8173-64172.4000110.8V52 G56 R58 G59 A61 V64V52-L54 PolarHBondContact O-N 2.97Å; L54-G56 PolarHBondContact O-N 3.15Å; L54-R58 HydrophobicContact CB-CB 4.21Å; L54-R58 HydrophobicContact CD1-CB 4.44Å; L54-G59 WeakPolarHBondContact CB-O 3.22Å; L54-G59 PolarHBondContact N-O 2.8Å; L54-A61 HydrophobicContact CD1-CB 4.43Å; L54-A61 HydrophobicContact CD2-CB 4.08Å; L54-A61 HydrophobicContact CG-CB 4.35Å; L54-V64 HydrophobicContact CD2-CG2 3.57Å
55K83.9Confident91.7Very high135 Ų13557.2 Ų57.259%0.58735%0.35SS*.THydrogen-bonded Turntrans-57.4140.3174.2-73.5179.6179.6157.60111.7R58 E73K55-R58 PolarHBondContact O-NE 2.99Å; K55-R58 PolarHBondContact O-NH2 2.94Å; K55-R58 VanDerWaalsContact O-NH2 3.11Å; K55-E73 WeakPolarHBondContact CD-OE1 3.31Å; K55-E73 VanDerWaalsContact CE-OE2 3.25Å; K55-E73 WeakPolarHBondContact CE-OE2 3.39Å; K55-E73 IonicContact NZ-OE2 3.14Å; K55-E73 PolarHBondContact NZ-OE2 2.83Å
56G81.5Confident91.6Very high79 Ų7959.7 Ų59.781%0.81436%0.363SS*.THydrogen-bonded Turntrans78.724.3175.900000114.7L54 R58L54-G56 PolarHBondContact O-N 3.15Å; G56-R58 VanDerWaalsContact C-N 3.29Å; G56-R58 PolarHBondContact O-N 3.13Å
57G77.3Confident91.6Very high78 Ų7860.1 Ų60.180%0.80437%0.365SS*.SBendtrans70.222.4174.100000114.4G59G57-G59 PolarHBondContact O-N 3.06Å; G57-G59 VanDerWaalsContact O-N 3.15Å
58R80.8Confident91.5Very high149 Ų14969.4 Ų69.456%0.56241%0.405SS*.  trans-83.323-175.1-66.5179.3-69.1174.22.8113.7L54 K55 G56L54-R58 HydrophobicContact CB-CB 4.21Å; L54-R58 HydrophobicContact CD1-CB 4.44Å; K55-R58 PolarHBondContact O-NE 2.99Å; K55-R58 PolarHBondContact O-NH2 2.94Å; K55-R58 VanDerWaalsContact O-NH2 3.11Å; G56-R58 VanDerWaalsContact C-N 3.29Å; G56-R58 PolarHBondContact O-N 3.13Å
59G87.4Confident91.5Very high49 Ų4973 Ų7351%0.50542%0.424SS..  trans87-154.1-172.800000113.1L54 G57L54-G59 WeakPolarHBondContact CB-O 3.22Å; L54-G59 PolarHBondContact N-O 2.8Å; G57-G59 PolarHBondContact O-N 3.06Å; G57-G59 VanDerWaalsContact O-N 3.15Å
60S91.2Very high91.6Very high56 Ų5671 Ų7139%0.39241%0.413SS..EExtended strand (participates in β ladder)trans-122.9171.9176.155.30000110.5S51 V52S51-S60 WeakPolarHBondContact OG-CB 3.36Å; S51-S60 PolarHBondContact OG-OG 3.41Å; V52-S60 CarbonylContact O-C 3.5Å; V52-S60 WeakPolarHBondContact O-CA 3.22Å; V52-S60 WeakPolarHBondContact O-CB 3.26Å
61A94.4Very high91.7Very high2 Ų270.2 Ų70.22%0.01742%0.419CS..EExtended strand (participates in β ladder)trans-143.7153.8171.600000109.9V52 L54 M63 V64 D77V52-A61 PolarHBondContact N-O 2.94Å; V52-A61 PolarHBondContact O-N 2.67Å; L54-A61 HydrophobicContact CD1-CB 4.43Å; L54-A61 HydrophobicContact CD2-CB 4.08Å; L54-A61 HydrophobicContact CG-CB 4.35Å; A61-M63 PolarHBondContact O-N 2.85Å; A61-V64 HydrophobicContact CB-CG2 4.37Å; A61-D77 WeakPolarHBondContact CA-OD1 3.38Å; A61-D77 HydrophobicContact CB-CB 4.09Å
62S94.8Very high91.9Very high4 Ų471.7 Ų71.73%0.02841%0.412CS..SBendtrans-53.1-36.4173.8-52.50000113T47 E50 I76 D77 I78T47-S62 PolarHBondContact O-OG 2.9Å; E50-S62 VanDerWaalsContact CB-O 3.31Å; E50-S62 WeakPolarHBondContact CB-O 3.4Å; E50-S62 WeakPolarHBondContact O-CA 3.15Å; S62-I76 PolarHBondContact N-O 3.13Å; S62-D77 PolarHBondContact N-OD1 3.47Å; S62-D77 PolarHBondContact OG-OD1 3.13Å; S62-D77 VanDerWaalsContact OG-OD1 3.11Å; S62-I78 PolarHBondContact OG-N 2.82Å; S62-I78 VanDerWaalsContact OG-N 3.12Å
63M96.8Very high92Very high26 Ų2672.4 Ų72.413%0.12841%0.412CS..EExtended strand (participates in β ladder)trans-147.1139.4174.7177.7-164.2-65.700111.9L31 Q44 Y45 V46 A61 Q65 S75 I76L31-M63 HydrophobicContact CD1-SD 4.14Å; Q44-M63 HydrophobicContact CB-CE 4.22Å; Y45-M63 WeakPolarHBondContact O-CE 3.38Å; V46-M63 HydrophobicContact CG1-CB 3.77Å; V46-M63 HydrophobicContact CG1-CE 3.52Å; V46-M63 HydrophobicContact CG1-SD 4.32Å; A61-M63 PolarHBondContact O-N 2.85Å; M63-Q65 HydrophobicContact SD-CG 4.46Å; M63-S75 WeakPolarHBondContact O-CA 3.43Å; M63-S75 VanDerWaalsContact O-CB 3.3Å; M63-S75 WeakPolarHBondContact O-CB 3.43Å; M63-I76 HydrophobicContact CB-CG2 3.87Å; M63-I76 PolarHBondContact N-O 3.05Å; M63-I76 PolarHBondContact O-N 3.21Å; M63-I76 HydrophobicContact SD-CG2 4.32Å
64V96.4Very high92.3Very high38 Ų3867.7 Ų67.723%0.2338%0.381CS..EExtended strand (participates in β ladder)trans-123.1128168.6-178.20000108.5V52 L54 A61 E73 N74V52-V64 HydrophobicContact CB-CB 4.43Å; V52-V64 HydrophobicContact CB-CG2 3.97Å; V52-V64 HydrophobicContact CG1-CB 3.93Å; V52-V64 HydrophobicContact CG1-CG2 3.79Å; L54-V64 HydrophobicContact CD2-CG2 3.57Å; A61-V64 HydrophobicContact CB-CG2 4.37Å; V64-E73 HydrophobicContact CG1-CG 3.78Å; V64-N74 WeakPolarHBondContact CA-O 3.46Å
65Q94.9Very high92.6Very high44 Ų4467.2 Ų67.221%0.20638%0.379CS..EExtended strand (participates in β ladder)trans-142.4149.8178.961.6165.8-3500113.1Q44 M63 N74 L105Q44-Q65 VanDerWaalsContact OE1-CD 3.26Å; Q44-Q65 VanDerWaalsContact OE1-OE1 3.06Å; M63-Q65 HydrophobicContact SD-CG 4.46Å; Q65-N74 PolarHBondContact N-O 2.9Å; Q65-N74 PolarHBondContact O-N 2.87Å; Q65-L105 HydrophobicContact CG-CD1 4.19Å
66K96.3Very high93.3Very high140 Ų14060.8 Ų60.861%0.60935%0.351SS*.EExtended strand (participates in β ladder)trans-92.6124.7173.2-167.3178.3179.1-177.70109.3K68 A71K66-K68 PolarHBondContact O-N 3.1Å; K66-A71 WeakPolarHBondContact CE-O 3.42Å; K66-A71 VanDerWaalsContact CG-O 3.23Å; K66-A71 WeakPolarHBondContact CG-O 3.43Å
67C97.1Very high94.1Very high9 Ų959.2 Ų59.26%0.06132%0.324CS..  trans-58.4126.9173.6176.80000109.8C33 C36 L69 C70 A71 R72C33-C67 HydrophobicContact CB-CB 4.43Å; C36-C67 PolarHBondContact SG-SG 3.24Å; C67-L69 PolarHBondContact O-N 3.39Å; C67-C70 VanDerWaalsContact SG-SG 3.62Å; C67-A71 WeakPolarHBondContact O-CA 3.32Å; C67-A71 PolarHBondContact O-N 2.85Å; C67-R72 PolarHBondContact N-O 2.77Å
68K95.3Very high95.1Very high199 Ų19955.8 Ų55.887%0.86529%0.287SS*.THydrogen-bonded Turntrans-66.7-26.3-178.6-66.5-174.8179179.70113.2K66K66-K68 PolarHBondContact O-N 3.1Å
69L96.9Very high95.8Very high111 Ų11150.3 Ų50.358%0.58127%0.269SS*.THydrogen-bonded Turntrans-86.2-59.9-180-177.359.9000112.6C36 E38 C67C36-L69 HydrophobicContact CB-CD2 4.2Å; E38-L69 HydrophobicContact CB-CB 4.06Å; E38-L69 HydrophobicContact CB-CD2 4.24Å; E38-L69 HydrophobicContact CG-CB 4.05Å; C67-L69 PolarHBondContact O-N 3.39Å
70C97.8Very high96.3Very high42 Ų4253.4 Ų53.428%0.28427%0.265SS..THydrogen-bonded Turntrans-994.6-173.271.90000114.9C36 C67 R72C36-C70 HydrophobicContact CB-CB 3.82Å; C36-C70 PolarHBondContact SG-SG 3.02Å; C67-C70 VanDerWaalsContact SG-SG 3.62Å; C70-R72 PolarHBondContact O-N 2.89Å; C70-R72 VanDerWaalsContact SG-CB 3.57Å
71A97.2Very high96.5Very high54 Ų5458.4 Ų58.445%0.44629%0.287SS..  trans60.54.2-179.900000116K66 C67 E73K66-A71 WeakPolarHBondContact CE-O 3.42Å; K66-A71 VanDerWaalsContact CG-O 3.23Å; K66-A71 WeakPolarHBondContact CG-O 3.43Å; C67-A71 WeakPolarHBondContact O-CA 3.32Å; C67-A71 PolarHBondContact O-N 2.85Å; A71-E73 PolarHBondContact O-N 3.21Å
72R96.1Very high96.7Very high112 Ų11259.8 Ų59.842%0.42330%0.296SS..  trans-67132.3177.2-173.7178.1173.1164-5.1110.8N35 C67 C70 N74N35-R72 PolarHBondContact OD1-NH1 3.41Å; C67-R72 PolarHBondContact N-O 2.77Å; C70-R72 PolarHBondContact O-N 2.89Å; C70-R72 VanDerWaalsContact SG-CB 3.57Å; R72-N74 PolarHBondContact O-ND2 3.32Å; R72-N74 VanDerWaalsContact O-ND2 3.09Å
73E95.8Very high96.9Very high74 Ų7461.9 Ų61.935%0.34631%0.306SS..EExtended strand (participates in β ladder)trans-77.8127.9170.8-172175.910000109.7K55 V64 A71K55-E73 WeakPolarHBondContact CD-OE1 3.31Å; K55-E73 VanDerWaalsContact CE-OE2 3.25Å; K55-E73 WeakPolarHBondContact CE-OE2 3.39Å; K55-E73 IonicContact NZ-OE2 3.14Å; K55-E73 PolarHBondContact NZ-OE2 2.83Å; V64-E73 HydrophobicContact CG1-CG 3.78Å; A71-E73 PolarHBondContact O-N 3.21Å
74N96.6Very high96.9Very high5 Ų563 Ų633%0.02732%0.315CS..EExtended strand (participates in β ladder)trans-131.5158.9179.9-44.7-70.9000109.9V64 Q65 R72 R103 G104 L105V64-N74 WeakPolarHBondContact CA-O 3.46Å; Q65-N74 PolarHBondContact N-O 2.9Å; Q65-N74 PolarHBondContact O-N 2.87Å; R72-N74 PolarHBondContact O-ND2 3.32Å; R72-N74 VanDerWaalsContact O-ND2 3.09Å; N74-R103 VanDerWaalsContact CA-O 3.25Å; N74-R103 WeakPolarHBondContact CA-O 3.26Å; N74-R103 WeakPolarHBondContact CB-O 3.22Å; N74-G104 WeakPolarHBondContact OD1-CA 3.39Å; N74-G104 PolarHBondContact OD1-O 2.93Å; N74-L105 HydrophobicContact CB-CD1 4.09Å; N74-L105 HydrophobicContact CB-CD2 3.8Å; N74-L105 HydrophobicContact CB-CG 3.54Å
75S97.1Very high97Very high6 Ų663.1 Ų63.14%0.04232%0.316CS..EExtended strand (participates in β ladder)trans-142.7158.2177.571.90000112.2M63 R103M63-S75 WeakPolarHBondContact O-CA 3.43Å; M63-S75 VanDerWaalsContact O-CB 3.3Å; M63-S75 WeakPolarHBondContact O-CB 3.43Å; S75-R103 PolarHBondContact N-O 2.93Å; S75-R103 PolarHBondContact O-N 3.15Å
76I97.8Very high97.2Very high0 Ų061.1 Ų61.10%031%0.307CS..EExtended strand (participates in β ladder)trans-139137.5173.5-180167.6000108.1L29 L31 V46 S62 M63 F100 E101 L105L29-I76 HydrophobicContact CD1-CD1 3.93Å; L31-I76 HydrophobicContact CD1-CG2 4.29Å; L31-I76 HydrophobicContact CD2-CD1 3.82Å; V46-I76 HydrophobicContact CG1-CG2 3.75Å; S62-I76 PolarHBondContact N-O 3.13Å; M63-I76 HydrophobicContact CB-CG2 3.87Å; M63-I76 PolarHBondContact N-O 3.05Å; M63-I76 PolarHBondContact O-N 3.21Å; M63-I76 HydrophobicContact SD-CG2 4.32Å; I76-F100 HydrophobicContact CD1-CB 3.94Å; I76-F100 HydrophobicContact CD1-CD1 3.95Å; I76-F100 HydrophobicContact CD1-CG 4Å; I76-F100 HydrophobicContact CG1-CB 4Å; I76-F100 HydrophobicContact CG1-CD1 4.2Å; I76-F100 HydrophobicContact CG1-CG 4.4Å; I76-E101 WeakPolarHBondContact CA-O 2.89Å; I76-L105 HydrophobicContact CB-CD1 4.24Å; I76-L105 HydrophobicContact CG2-CD1 4.1Å
77D97.7Very high97.3Very high45 Ų4556.5 Ų56.524%0.24129%0.289CS..EExtended strand (participates in β ladder)trans-130.3139.4179.2-164.340.4000110.4A61 S62 F100 E101A61-D77 WeakPolarHBondContact CA-OD1 3.38Å; A61-D77 HydrophobicContact CB-CB 4.09Å; S62-D77 PolarHBondContact N-OD1 3.47Å; S62-D77 PolarHBondContact OG-OD1 3.13Å; S62-D77 VanDerWaalsContact OG-OD1 3.11Å; D77-F100 CarbonylContact O-C 3.55Å; D77-F100 VanDerWaalsContact O-CA 3.29Å; D77-F100 WeakPolarHBondContact O-CA 3.47Å; D77-E101 HydrophobicContact CB-CB 4.39Å; D77-E101 PolarHBondContact N-O 3.35Å; D77-E101 PolarHBondContact O-N 2.81Å
78I98.1Very high97.4Very high7 Ų758.5 Ų58.54%0.03631%0.306CS..EExtended strand (participates in β ladder)trans-85.6124.5177.8-54170000108.8V46 T47 L48 S62 R80 I83 V98 F100V46-I78 HydrophobicContact CB-CD1 4.12Å; V46-I78 HydrophobicContact CB-CG1 4.32Å; V46-I78 HydrophobicContact CG2-CD1 3.83Å; V46-I78 HydrophobicContact CG2-CG1 3.85Å; T47-I78 WeakPolarHBondContact O-CD1 3.47Å; L48-I78 HydrophobicContact CD2-CB 3.81Å; L48-I78 HydrophobicContact CD2-CD1 4.25Å; L48-I78 HydrophobicContact CD2-CG2 3.65Å; L48-I78 HydrophobicContact CG-CD1 4.32Å; L48-I78 HydrophobicContact CG-CG2 4.43Å; S62-I78 PolarHBondContact OG-N 2.82Å; S62-I78 VanDerWaalsContact OG-N 3.12Å; I78-R80 PolarHBondContact O-N 2.92Å; I78-I83 HydrophobicContact CG2-CD1 4.24Å; I78-V98 HydrophobicContact CG2-CG2 3.75Å; I78-F100 HydrophobicContact CG1-CD1 4.1Å; I78-F100 HydrophobicContact CG1-CE1 3.98Å
79L97Very high97.5Very high34 Ų3453.1 Ų53.118%0.17829%0.293CS..  trans-82.290.1174.7-59.1-176.6000109.6K3 D81 T82 Q99 E101K3-L79 HydrophobicContact CD-CD1 4.04Å; L79-D81 VanDerWaalsContact C-N 3.26Å; L79-D81 PolarHBondContact O-N 3.07Å; L79-D81 VanDerWaalsContact O-N 3.15Å; L79-T82 HydrophobicContact CB-CG2 3.7Å; L79-T82 HydrophobicContact CD1-CG2 4.34Å; L79-T82 WeakPolarHBondContact O-CB 3.2Å; L79-T82 PolarHBondContact O-N 2.96Å; L79-T82 PolarHBondContact O-OG1 2.63Å; L79-Q99 HydrophobicContact CB-CB 4.41Å; L79-Q99 WeakPolarHBondContact CB-O 3.24Å; L79-Q99 HydrophobicContact CD1-CB 4.03Å; L79-Q99 PolarHBondContact N-O 2.72Å; L79-E101 HydrophobicContact CD2-CB 4.01Å; L79-E101 HydrophobicContact CG-CB 4.36Å
80R96.4Very high97.6Very high113 Ų11349.2 Ų49.243%0.42627%0.273SS..G310 helixtrans-44.2-48.2-176.9179.1-179.2-73.6-110.64.6113.5E23 L48 I78 T82 I83E23-R80 VanDerWaalsContact CD-NH1 3.3Å; E23-R80 IonicContact OE1-CZ 3.34Å; E23-R80 IonicContact OE1-NH1 2.84Å; E23-R80 PolarHBondContact OE1-NH1 2.88Å; E23-R80 IonicContact OE1-NH2 3.77Å; E23-R80 PolarHBondContact OE1-NH2 2.87Å; E23-R80 IonicContact OE2-CZ 2.85Å; E23-R80 IonicContact OE2-NH1 3.39Å; E23-R80 IonicContact OE2-NH2 2.95Å; E23-R80 PolarHBondContact OE2-NH2 3.11Å; L48-R80 HydrophobicContact CD1-CG 4.5Å; L48-R80 HydrophobicContact CD2-CB 4Å; L48-R80 HydrophobicContact CD2-CG 4.44Å; I78-R80 PolarHBondContact O-N 2.92Å; R80-T82 PolarHBondContact O-N 3.29Å; R80-I83 PolarHBondContact O-N 2.92Å; R80-I83 VanDerWaalsContact O-N 3.13Å
81D97.1Very high97.6Very high161 Ų16149.5 Ų49.586%0.86127%0.272SS*.G310 helixtrans-69.8-6.3-175.2-56.1-27.5000113.8L79L79-D81 VanDerWaalsContact C-N 3.26Å; L79-D81 PolarHBondContact O-N 3.07Å; L79-D81 VanDerWaalsContact O-N 3.15Å
82T97.9Very high97.7Very high32 Ų3252 Ų5220%0.19627%0.274CS..G310 helixtrans-97.7-5.4177.770.90000113.2L79 R80 T84 Q99L79-T82 HydrophobicContact CB-CG2 3.7Å; L79-T82 HydrophobicContact CD1-CG2 4.34Å; L79-T82 WeakPolarHBondContact O-CB 3.2Å; L79-T82 PolarHBondContact O-N 2.96Å; L79-T82 PolarHBondContact O-OG1 2.63Å; R80-T82 PolarHBondContact O-N 3.29Å; T82-T84 PolarHBondContact O-N 3.12Å; T82-Q99 HydrophobicContact CG2-CB 4.02Å; T82-Q99 HydrophobicContact CG2-CG 4.07Å; T82-Q99 WeakPolarHBondContact OG1-CB 3.32Å; T82-Q99 PolarHBondContact OG1-N 2.88Å
83I98.4Very high97.8Very high47 Ų4753 Ų5324%0.24128%0.282CS..  trans-70.4118.7178.3-62.1173.2000108.5P20 L48 I78 R80 M97 V98P20-I83 HydrophobicContact CG-CG2 3.66Å; L48-I83 HydrophobicContact CD1-CD1 3.8Å; L48-I83 HydrophobicContact CD2-CD1 4.4Å; L48-I83 HydrophobicContact CG-CD1 4.42Å; I78-I83 HydrophobicContact CG2-CD1 4.24Å; R80-I83 PolarHBondContact O-N 2.92Å; R80-I83 VanDerWaalsContact O-N 3.13Å; I83-M97 CarbonylContact C-O 3.49Å; I83-M97 VanDerWaalsContact CA-O 3.23Å; I83-M97 WeakPolarHBondContact CA-O 3.5Å; I83-V98 HydrophobicContact CD1-CG2 4.41Å; I83-V98 HydrophobicContact CG1-CB 4.15Å; I83-V98 HydrophobicContact CG1-CG2 3.68Å
84T98Very high98Very high51 Ų5152.8 Ų52.831%0.31328%0.28SS..  trans-132.5145178.364.90000111.3T82 T96 M97T82-T84 PolarHBondContact O-N 3.12Å; T84-T96 PolarHBondContact OG1-O 3.14Å; T84-T96 VanDerWaalsContact OG1-O 3.14Å; T84-M97 PolarHBondContact N-O 2.87Å; T84-M97 WeakPolarHBondContact O-CG 3.24Å
85P98.4Very high98.1Very high40 Ų4054.8 Ų54.826%0.2629%0.288SS..  trans-68.9156.5178.729.9-35.9000111.2N17 V18 R19 K95N17-P85 VanDerWaalsContact OD1-CB 3.23Å; N17-P85 WeakPolarHBondContact OD1-CB 3.4Å; V18-P85 CarbonylContact O-C 3.52Å; V18-P85 WeakPolarHBondContact O-CA 3.42Å; R19-P85 HydrophobicContact CB-CB 4.09Å; P85-K95 VanDerWaalsContact O-CE 3.26Å; P85-K95 WeakPolarHBondContact O-CE 3.44Å; P85-K95 PolarHBondContact O-NZ 3.17Å
86Y98.8Very high98.1Very high2 Ų256.1 Ų56.11%0.00830%0.296CS..BIsolated β-bridgetrans-98.1118.1168-172.5-96.4000109.1F8 A10 L12 N17 V18 D90 E92 K93 K95F8-Y86 AromaticContact CD1-CD1 3.97Å; F8-Y86 HydrophobicContact CD1-CD1 3.97Å; F8-Y86 AromaticContact CD1-CD2 3.67Å; F8-Y86 HydrophobicContact CD1-CD2 3.67Å; F8-Y86 HydrophobicContact CD1-CE1 4.31Å; F8-Y86 HydrophobicContact CD1-CE2 4.02Å; F8-Y86 AromaticContact CD1-CG 3.63Å; F8-Y86 HydrophobicContact CD1-CG 3.63Å; F8-Y86 AromaticContact CE1-CD1 3.83Å; F8-Y86 HydrophobicContact CE1-CD1 3.83Å; F8-Y86 HydrophobicContact CE1-CD2 4.38Å; F8-Y86 HydrophobicContact CE1-CE1 4.18Å; F8-Y86 AromaticContact CE1-CG 3.94Å; F8-Y86 HydrophobicContact CE1-CG 3.94Å; F8-Y86 WeakPolarHBondContact O-CE2 3.42Å; A10-Y86 HydrophobicContact CB-CE1 4.25Å; A10-Y86 PolarHBondContact N-OH 2.68Å; A10-Y86 VanDerWaalsContact N-OH 3.11Å; A10-Y86 PolarHBondContact O-OH 3.25Å; L12-Y86 HydrophobicContact CD1-CD1 3.74Å; L12-Y86 HydrophobicContact CD1-CE1 3.76Å; L12-Y86 HydrophobicContact CD2-CD1 4.09Å; L12-Y86 HydrophobicContact CD2-CE1 4Å; L12-Y86 HydrophobicContact CG-CD1 4.17Å; L12-Y86 HydrophobicContact CG-CE1 3.83Å; N17-Y86 PolarHBondContact N-O 2.95Å; V18-Y86 PolarHBondContact N-O 3Å; V18-Y86 PolarHBondContact O-N 3.14Å; Y86-D90 HydrophobicContact CD2-CB 3.82Å; Y86-D90 HydrophobicContact CE2-CB 3.69Å; Y86-D90 HydrophobicContact CG-CB 4.32Å; Y86-D90 VanDerWaalsContact CZ-O 3.29Å; Y86-D90 PolarHBondContact OH-O 3.19Å; Y86-E92 PolarHBondContact OH-N 2.96Å; Y86-K93 VanDerWaalsContact CE2-O 3.31Å; Y86-K93 WeakPolarHBondContact CE2-O 3.34Å; Y86-K93 PolarHBondContact OH-N 3.42Å; Y86-K93 PolarHBondContact OH-O 3.01Å; Y86-K95 HydrophobicContact CD2-CB 4.01Å; Y86-K95 HydrophobicContact CD2-CD 4.33Å; Y86-K95 HydrophobicContact CE2-CB 4.16Å
87N98.7Very high98.1Very high42 Ų4256.2 Ų56.223%0.22530%0.296CS..  trans-108.8168.3-170.3-61.1-56.1000112N17 S89 D90N17-N87 WeakPolarHBondContact CA-OD1 3.44Å; N17-N87 PolarHBondContact N-OD1 2.84Å; N87-S89 PolarHBondContact O-N 3.29Å; N87-S89 VanDerWaalsContact O-N 3.13Å; N87-D90 PolarHBondContact N-OD2 2.95Å; N87-D90 WeakPolarHBondContact O-CA 3.21Å; N87-D90 VanDerWaalsContact O-CB 3.32Å; N87-D90 WeakPolarHBondContact O-CB 3.39Å; N87-D90 PolarHBondContact O-N 3.48Å
88A98.3Very high98.2Very high51 Ų5154 Ų5442%0.42129%0.285SS..G310 helixtrans-52.3-33.8172.700000113.5T16 D90 N91T16-A88 PolarHBondContact OG1-N 2.85Å; T16-A88 VanDerWaalsContact OG1-N 3.16Å; A88-D90 PolarHBondContact O-N 3.29Å; A88-N91 VanDerWaalsContact O-CB 3.29Å; A88-N91 WeakPolarHBondContact O-CB 3.38Å; A88-N91 PolarHBondContact O-N 3.49Å
89S98.2Very high98.2Very high87 Ų8756 Ų5661%0.60829%0.294SS*.G310 helixtrans-66-22.8175.559.20000114.2N87 K93N87-S89 PolarHBondContact O-N 3.29Å; N87-S89 VanDerWaalsContact O-N 3.13Å; S89-K93 PolarHBondContact O-NZ 2.81Å
90D98.5Very high98.3Very high29 Ų2954.4 Ų54.416%0.15529%0.285CS..G310 helixtrans-91.4-2.9-178.1-51.8-48000112Y86 N87 A88 E92 K93 K95Y86-D90 HydrophobicContact CD2-CB 3.82Å; Y86-D90 HydrophobicContact CE2-CB 3.69Å; Y86-D90 HydrophobicContact CG-CB 4.32Å; Y86-D90 VanDerWaalsContact CZ-O 3.29Å; Y86-D90 PolarHBondContact OH-O 3.19Å; N87-D90 PolarHBondContact N-OD2 2.95Å; N87-D90 WeakPolarHBondContact O-CA 3.21Å; N87-D90 VanDerWaalsContact O-CB 3.32Å; N87-D90 WeakPolarHBondContact O-CB 3.39Å; N87-D90 PolarHBondContact O-N 3.48Å; A88-D90 PolarHBondContact O-N 3.29Å; D90-E92 PolarHBondContact O-N 3.5Å; D90-K93 WeakPolarHBondContact O-CB 3.43Å; D90-K93 PolarHBondContact O-N 3.11Å; D90-K95 HydrophobicContact CB-CD 3.99Å; D90-K95 IonicContact OD1-NZ 3.79Å; D90-K95 WeakPolarHBondContact OD2-CD 3.44Å; D90-K95 IonicContact OD2-NZ 3.22Å; D90-K95 PolarHBondContact OD2-NZ 3.42Å
91N98.4Very high98.3Very high47 Ų4750.6 Ų50.625%0.25127%0.273SS..THydrogen-bonded Turntrans-47.8135-172.7-166.628.7000112.5A10 N11 L12 A88 K93A10-N91 PolarHBondContact O-OD1 2.9Å; A10-N91 VanDerWaalsContact O-OD1 3.09Å; N11-N91 VanDerWaalsContact CA-OD1 3.28Å; N11-N91 WeakPolarHBondContact CA-OD1 3.23Å; L12-N91 PolarHBondContact N-OD1 3.09Å; A88-N91 VanDerWaalsContact O-CB 3.29Å; A88-N91 WeakPolarHBondContact O-CB 3.38Å; A88-N91 PolarHBondContact O-N 3.49Å; N91-K93 PolarHBondContact O-N 3.17Å
92E98.5Very high98.3Very high108 Ų10843 Ų4351%0.50523%0.232SC..THydrogen-bonded Turntrans5513.9-176.2-59.7-178.3-148.800116.8K9 A10 N11 Y86 D90K9-E92 VanDerWaalsContact CD-O 3.3Å; K9-E92 WeakPolarHBondContact CD-O 3.36Å; K9-E92 WeakPolarHBondContact CE-O 3.14Å; K9-E92 PolarHBondContact NZ-O 2.76Å; A10-E92 PolarHBondContact O-N 3.21Å; N11-E92 HydrophobicContact CB-CG 4.39Å; Y86-E92 PolarHBondContact OH-N 2.96Å; D90-E92 PolarHBondContact O-N 3.5Å
93K98.6Very high98.2Very high133 Ų13345.3 Ų45.358%0.57824%0.237SC*.SBendtrans-113145.5177.9-61.8164.8-168.5160.50110.4Y86 S89 D90 N91 K95Y86-K93 VanDerWaalsContact CE2-O 3.31Å; Y86-K93 WeakPolarHBondContact CE2-O 3.34Å; Y86-K93 PolarHBondContact OH-N 3.42Å; Y86-K93 PolarHBondContact OH-O 3.01Å; S89-K93 PolarHBondContact O-NZ 2.81Å; D90-K93 WeakPolarHBondContact O-CB 3.43Å; D90-K93 PolarHBondContact O-N 3.11Å; N91-K93 PolarHBondContact O-N 3.17Å; K93-K95 PolarHBondContact O-N 3.2Å
94F98.7Very high98.1Very high68 Ų6844 Ų4430%0.29824%0.235SC..  trans-70.4120.5169.8-78.9-71.8000110.3Q7 K9 T154 R156Q7-F94 HydrophobicContact CB-CB 4.08Å; Q7-F94 HydrophobicContact CB-CD1 3.97Å; Q7-F94 HydrophobicContact CB-CG 4.45Å; K9-F94 HydrophobicContact CB-CD1 3.7Å; K9-F94 HydrophobicContact CB-CE1 3.78Å; K9-F94 HydrophobicContact CB-CG 4.13Å; K9-F94 HydrophobicContact CB-CZ 4.28Å; K9-F94 HydrophobicContact CD-CD2 4.27Å; K9-F94 HydrophobicContact CD-CE2 4.1Å; K9-F94 HydrophobicContact CD-CZ 4.3Å; F94-T154 HydrophobicContact CE1-CG2 4.06Å; F94-T154 HydrophobicContact CZ-CG2 3.94Å; F94-R156 HydrophobicContact CD1-CG 3.73Å; F94-R156 HydrophobicContact CE1-CB 4.21Å; F94-R156 HydrophobicContact CE1-CG 3.78Å; F94-R156 HydrophobicContact CG-CG 4.19Å; F94-R156 HydrophobicContact CZ-CG 4.28Å
95K98.6Very high98.1Very high47 Ų4742 Ų4220%0.20422%0.223CC..EExtended strand (participates in β ladder)trans-125.6134.6173.8171.2175.3-179.5-177.30110.4Q7 F8 P85 Y86 D90 K93 M97Q7-K95 CarbonylContact C-O 3.57Å; Q7-K95 WeakPolarHBondContact CA-O 3.29Å; F8-K95 PolarHBondContact N-O 3.24Å; F8-K95 PolarHBondContact O-N 2.95Å; P85-K95 VanDerWaalsContact O-CE 3.26Å; P85-K95 WeakPolarHBondContact O-CE 3.44Å; P85-K95 PolarHBondContact O-NZ 3.17Å; Y86-K95 HydrophobicContact CD2-CB 4.01Å; Y86-K95 HydrophobicContact CD2-CD 4.33Å; Y86-K95 HydrophobicContact CE2-CB 4.16Å; D90-K95 HydrophobicContact CB-CD 3.99Å; D90-K95 IonicContact OD1-NZ 3.79Å; D90-K95 WeakPolarHBondContact OD2-CD 3.44Å; D90-K95 IonicContact OD2-NZ 3.22Å; D90-K95 PolarHBondContact OD2-NZ 3.42Å; K93-K95 PolarHBondContact O-N 3.2Å; K95-M97 PolarHBondContact O-N 3.48Å
96T98.5Very high98.1Very high34 Ų3443.2 Ų43.221%0.20923%0.225CC..EExtended strand (participates in β ladder)trans-64.5115.1173.8-55.10000109.9L6 Q7 T84 Q99L6-T96 WeakPolarHBondContact O-CA 3.48Å; Q7-T96 PolarHBondContact NE2-OG1 2.86Å; Q7-T96 VanDerWaalsContact NE2-OG1 3.12Å; T84-T96 PolarHBondContact OG1-O 3.14Å; T84-T96 VanDerWaalsContact OG1-O 3.14Å; T96-Q99 HydrophobicContact CG2-CG 3.97Å
97M98.2Very high98Very high2 Ų243.2 Ų43.21%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-93.9-33.2-179.9-175.9176.1-80.400111.9L6 F8 W27 I83 T84 K95 F116L6-M97 PolarHBondContact O-N 2.82Å; F8-M97 HydrophobicContact CB-CB 4.11Å; F8-M97 HydrophobicContact CB-CE 3.69Å; F8-M97 HydrophobicContact CB-SD 4.24Å; F8-M97 HydrophobicContact CD1-CE 3.66Å; F8-M97 HydrophobicContact CD2-CE 3.91Å; F8-M97 HydrophobicContact CD2-SD 4.36Å; F8-M97 HydrophobicContact CE1-CE 4.21Å; F8-M97 HydrophobicContact CE2-CE 4.42Å; F8-M97 HydrophobicContact CG-CE 3.49Å; F8-M97 VanDerWaalsContact CG-CE 3.49Å; F8-M97 HydrophobicContact CG-SD 4.32Å; W27-M97 HydrophobicContact CH2-CG 4.09Å; W27-M97 HydrophobicContact CH2-SD 4.04Å; W27-M97 HydrophobicContact CZ3-SD 4.38Å; I83-M97 CarbonylContact C-O 3.49Å; I83-M97 VanDerWaalsContact CA-O 3.23Å; I83-M97 WeakPolarHBondContact CA-O 3.5Å; T84-M97 PolarHBondContact N-O 2.87Å; T84-M97 WeakPolarHBondContact O-CG 3.24Å; K95-M97 PolarHBondContact O-N 3.48Å; M97-F116 HydrophobicContact CE-CE1 4.46Å; M97-F116 HydrophobicContact SD-CE1 3.93Å
98V98.7Very high98Very high0 Ų044.5 Ų44.50%023%0.231CC..EExtended strand (participates in β ladder)trans-154.7153.2177.662.60000110L6 W27 I78 I83 F100L6-V98 HydrophobicContact CB-CG1 3.87Å; L6-V98 HydrophobicContact CD2-CG1 3.98Å; L6-V98 HydrophobicContact CG-CG1 4.4Å; L6-V98 PolarHBondContact N-O 3.01Å; W27-V98 HydrophobicContact CD2-CG1 4.17Å; W27-V98 HydrophobicContact CE3-CG1 3.88Å; W27-V98 HydrophobicContact CH2-CB 3.86Å; W27-V98 HydrophobicContact CH2-CG1 3.45Å; W27-V98 VanDerWaalsContact CH2-CG1 3.45Å; W27-V98 HydrophobicContact CZ2-CB 3.84Å; W27-V98 HydrophobicContact CZ2-CG1 3.73Å; W27-V98 HydrophobicContact CZ2-CG2 4.14Å; W27-V98 HydrophobicContact CZ3-CB 4.44Å; W27-V98 HydrophobicContact CZ3-CG1 3.53Å; I78-V98 HydrophobicContact CG2-CG2 3.75Å; I83-V98 HydrophobicContact CD1-CG2 4.41Å; I83-V98 HydrophobicContact CG1-CB 4.15Å; I83-V98 HydrophobicContact CG1-CG2 3.68Å; V98-F100 HydrophobicContact CG1-CE1 4.46Å; V98-F100 HydrophobicContact CG1-CE2 3.75Å; V98-F100 HydrophobicContact CG1-CZ 3.64Å; V98-F100 HydrophobicContact CG2-CZ 4.44Å
99Q98.6Very high98Very high48 Ų4845.1 Ų45.122%0.22423%0.228CC..EExtended strand (participates in β ladder)trans-115.7146170-58.6-178.514.700111.6F4 L79 T82 T96F4-Q99 CarbonylContact O-C 3.5Å; F4-Q99 VanDerWaalsContact O-CA 3.29Å; F4-Q99 WeakPolarHBondContact O-CA 3.28Å; L79-Q99 HydrophobicContact CB-CB 4.41Å; L79-Q99 WeakPolarHBondContact CB-O 3.24Å; L79-Q99 HydrophobicContact CD1-CB 4.03Å; L79-Q99 PolarHBondContact N-O 2.72Å; T82-Q99 HydrophobicContact CG2-CB 4.02Å; T82-Q99 HydrophobicContact CG2-CG 4.07Å; T82-Q99 WeakPolarHBondContact OG1-CB 3.32Å; T82-Q99 PolarHBondContact OG1-N 2.88Å; T96-Q99 HydrophobicContact CG2-CG 3.97Å
100F98.3Very high98Very high0 Ų041.3 Ų41.30%020%0.2CC..EExtended strand (participates in β ladder)trans-115.9132.5175.9-55.6-80.2000110.6K3 F4 L6 W27 L29 V46 I76 D77 I78 V98 F157K3-F100 WeakPolarHBondContact CA-O 3.42Å; F4-F100 PolarHBondContact N-O 3.37Å; F4-F100 PolarHBondContact O-N 3.37Å; L6-F100 HydrophobicContact CB-CE2 3.92Å; L6-F100 HydrophobicContact CD2-CE2 4.33Å; W27-F100 HydrophobicContact CB-CE1 4.35Å; W27-F100 HydrophobicContact CB-CZ 4.25Å; W27-F100 HydrophobicContact CD2-CZ 4.17Å; W27-F100 HydrophobicContact CE3-CZ 4.31Å; W27-F100 HydrophobicContact CG-CE1 4.26Å; W27-F100 HydrophobicContact CG-CZ 4.17Å; L29-F100 HydrophobicContact CD1-CE1 4.03Å; L29-F100 HydrophobicContact CD1-CE2 4.34Å; L29-F100 HydrophobicContact CD1-CZ 3.94Å; L29-F100 HydrophobicContact CD2-CE2 4.49Å; L29-F100 HydrophobicContact CD2-CZ 4.43Å; V46-F100 HydrophobicContact CG2-CE1 4.01Å; I76-F100 HydrophobicContact CD1-CB 3.94Å; I76-F100 HydrophobicContact CD1-CD1 3.95Å; I76-F100 HydrophobicContact CD1-CG 4Å; I76-F100 HydrophobicContact CG1-CB 4Å; I76-F100 HydrophobicContact CG1-CD1 4.2Å; I76-F100 HydrophobicContact CG1-CG 4.4Å; D77-F100 CarbonylContact O-C 3.55Å; D77-F100 VanDerWaalsContact O-CA 3.29Å; D77-F100 WeakPolarHBondContact O-CA 3.47Å; I78-F100 HydrophobicContact CG1-CD1 4.1Å; I78-F100 HydrophobicContact CG1-CE1 3.98Å; V98-F100 HydrophobicContact CG1-CE1 4.46Å; V98-F100 HydrophobicContact CG1-CE2 3.75Å; V98-F100 HydrophobicContact CG1-CZ 3.64Å; V98-F100 HydrophobicContact CG2-CZ 4.44Å; F100-F157 HydrophobicContact CD2-CE1 4.42Å; F100-F157 HydrophobicContact CE2-CE1 4.18Å
101E97.6Very high98Very high34 Ų3442.3 Ų42.316%0.15920%0.204CC..EExtended strand (participates in β ladder)trans-87.9112.7166.8-178.4178.7114.800109.5M1 I76 D77 L79 R103M1-E101 HydrophobicContact CE-CG 4.16Å; M1-E101 WeakPolarHBondContact CE-OE1 3.28Å; M1-E101 HydrophobicContact CG-CG 3.4Å; M1-E101 HydrophobicContact SD-CG 3.53Å; M1-E101 VanDerWaalsContact SD-CG 3.53Å; M1-E101 VanDerWaalsContact SD-OE1 3.42Å; I76-E101 WeakPolarHBondContact CA-O 2.89Å; D77-E101 HydrophobicContact CB-CB 4.39Å; D77-E101 PolarHBondContact N-O 3.35Å; D77-E101 PolarHBondContact O-N 2.81Å; L79-E101 HydrophobicContact CD2-CB 4.01Å; L79-E101 HydrophobicContact CG-CB 4.36Å; E101-R103 IonicContact OE1-CZ 2.69Å; E101-R103 IonicContact OE1-NE 3.28Å; E101-R103 PolarHBondContact OE1-NE 3.07Å; E101-R103 IonicContact OE1-NH2 2.67Å; E101-R103 PolarHBondContact OE1-NH2 3.49Å
102C97Very high98Very high1 Ų140.5 Ų40.51%0.00720%0.195CC..EExtended strand (participates in β ladder)trans-110.6138.1-174.7-62.10000112.4V2 F4 L105V2-C102 PolarHBondContact N-O 3.34Å; V2-C102 PolarHBondContact O-N 3.33Å; F4-C102 HydrophobicContact CD2-CB 4.01Å; F4-C102 HydrophobicContact CE2-CB 4.1Å; C102-L105 WeakPolarHBondContact CB-O 3.34Å
103R96.4Very high97.9Very high80 Ų8037.7 Ų37.730%0.30218%0.182SC..EExtended strand (participates in β ladder)trans-126.291.6174.9-57-178.6-171.2-128.811.4109.4M1 N74 S75 E101 L105M1-R103 HydrophobicContact CG-CG 4.42Å; N74-R103 VanDerWaalsContact CA-O 3.25Å; N74-R103 WeakPolarHBondContact CA-O 3.26Å; N74-R103 WeakPolarHBondContact CB-O 3.22Å; S75-R103 PolarHBondContact N-O 2.93Å; S75-R103 PolarHBondContact O-N 3.15Å; E101-R103 IonicContact OE1-CZ 2.69Å; E101-R103 IonicContact OE1-NE 3.28Å; E101-R103 PolarHBondContact OE1-NE 3.07Å; E101-R103 IonicContact OE1-NH2 2.67Å; E101-R103 PolarHBondContact OE1-NH2 3.49Å; R103-L105 VanDerWaalsContact C-N 3.29Å; R103-L105 PolarHBondContact O-N 3.46Å
104G96Very high97.8Very high20 Ų2034.2 Ų34.221%0.20618%0.177CC..SBendtrans82.62.1179.600000114.8G34 N74G34-G104 PolarHBondContact N-O 3.47Å; N74-G104 WeakPolarHBondContact OD1-CA 3.39Å; N74-G104 PolarHBondContact OD1-O 2.93Å
105L97.1Very high97.7Very high10 Ų1032.3 Ų32.35%0.05218%0.177CC..EExtended strand (participates in β ladder)trans-111.9154.7167.5-64.6172000110.3L31 K32 Q65 N74 I76 C102 R103L31-L105 HydrophobicContact CB-CD2 4.23Å; L31-L105 HydrophobicContact CD1-CD1 4.1Å; K32-L105 CarbonylContact O-C 3.59Å; K32-L105 WeakPolarHBondContact O-CA 3.42Å; Q65-L105 HydrophobicContact CG-CD1 4.19Å; N74-L105 HydrophobicContact CB-CD1 4.09Å; N74-L105 HydrophobicContact CB-CD2 3.8Å; N74-L105 HydrophobicContact CB-CG 3.54Å; I76-L105 HydrophobicContact CB-CD1 4.24Å; I76-L105 HydrophobicContact CG2-CD1 4.1Å; C102-L105 WeakPolarHBondContact CB-O 3.34Å; R103-L105 VanDerWaalsContact C-N 3.29Å; R103-L105 PolarHBondContact O-N 3.46Å
106E97.9Very high97.7Very high65 Ų6530 Ų3030%0.30417%0.167SC..EExtended strand (participates in β ladder)trans-133.4118.8169.9176.3-178.6152.500107.5F4 K32 I108F4-E106 HydrophobicContact CE1-CG 3.85Å; F4-E106 HydrophobicContact CE2-CB 4.43Å; F4-E106 HydrophobicContact CE2-CG 4.37Å; F4-E106 HydrophobicContact CZ-CB 4.1Å; F4-E106 HydrophobicContact CZ-CG 3.66Å; K32-E106 HydrophobicContact CB-CB 4.39Å; K32-E106 VanDerWaalsContact CE-CD 3.46Å; K32-E106 WeakPolarHBondContact CE-OE2 3.48Å; K32-E106 PolarHBondContact N-O 2.85Å; K32-E106 IonicContact NZ-OE1 2.86Å; K32-E106 PolarHBondContact NZ-OE1 2.87Å; K32-E106 IonicContact NZ-OE2 2.79Å; K32-E106 PolarHBondContact NZ-OE2 3.12Å; K32-E106 PolarHBondContact O-N 2.84Å; E106-I108 HydrophobicContact CG-CG2 4.03Å; E106-I108 PolarHBondContact O-N 3.28Å
107P98.3Very high97.7Very high2 Ų228.6 Ų28.61%0.01316%0.159CC..EExtended strand (participates in β ladder)trans-70.6128.2171.331.2-33.1000109.2F4 L29 K30 L31 F157F4-P107 HydrophobicContact CB-CG 3.77Å; F4-P107 HydrophobicContact CD2-CG 4.27Å; F4-P107 HydrophobicContact CG-CG 3.97Å; L29-P107 HydrophobicContact CD2-CB 4.48Å; K30-P107 WeakPolarHBondContact O-CA 3.32Å; L31-P107 HydrophobicContact CD2-CB 3.97Å; P107-F157 HydrophobicContact CB-CD1 4Å; P107-F157 HydrophobicContact CB-CE1 3.56Å; P107-F157 HydrophobicContact CB-CE2 4.28Å; P107-F157 HydrophobicContact CB-CZ 3.72Å; P107-F157 HydrophobicContact CG-CD1 3.69Å; P107-F157 HydrophobicContact CG-CE1 3.67Å; P107-F157 HydrophobicContact CG-CG 4.34Å; P107-F157 HydrophobicContact CG-CZ 4.33Å
108I98.2Very high97.8Very high69 Ų6928.6 Ų28.635%0.35416%0.159SC..EExtended strand (participates in β ladder)trans-121.4-15.4-174.860162.9000113.5K30 K32 V39 E106K30-I108 HydrophobicContact CB-CD1 4.3Å; K30-I108 HydrophobicContact CB-CG1 3.76Å; K30-I108 WeakPolarHBondContact O-CG1 3.46Å; K30-I108 PolarHBondContact O-N 2.84Å; K32-I108 HydrophobicContact CB-CD1 4.28Å; K32-I108 HydrophobicContact CB-CG1 4.48Å; K32-I108 HydrophobicContact CB-CG2 3.79Å; K32-I108 HydrophobicContact CD-CG2 4.29Å; V39-I108 HydrophobicContact CB-CD1 4.42Å; V39-I108 HydrophobicContact CG1-CD1 3.84Å; V39-I108 HydrophobicContact CG2-CD1 3.63Å; E106-I108 HydrophobicContact CG-CG2 4.03Å; E106-I108 PolarHBondContact O-N 3.28Å
109D98.4Very high97.8Very high64 Ų6431 Ų3134%0.34217%0.17SC..EExtended strand (participates in β ladder)trans-152.7152.1178.6-156.8-6.8000109.2L29 K30 W43 H155L29-D109 WeakPolarHBondContact CA-O 3.23Å; K30-D109 HydrophobicContact CB-CB 3.64Å; K30-D109 HydrophobicContact CG-CB 3.68Å; K30-D109 PolarHBondContact N-O 2.97Å; W43-D109 HydrophobicContact CH2-CB 3.89Å; W43-D109 VanDerWaalsContact CH2-CG 3.49Å; W43-D109 WeakPolarHBondContact CH2-OD2 3.5Å; W43-D109 HydrophobicContact CZ3-CB 4.17Å; D109-H155 IonicContact OD1-CE1 3.77Å; D109-H155 PolarHBondContact OD1-CE1 3.35Å; D109-H155 IonicContact OD1-NE2 2.68Å; D109-H155 PolarHBondContact OD1-NE2 3.05Å
110F98.6Very high97.8Very high7 Ų728.7 Ų28.73%0.03116%0.16CC..EExtended strand (participates in β ladder)trans-137.5130.1-178.7167.9-117.9000110.2L6 W27 F28 L29 P112 F116 H155 F157L6-F110 HydrophobicContact CD1-CB 4.02Å; L6-F110 HydrophobicContact CD1-CD1 3.92Å; L6-F110 HydrophobicContact CD1-CG 4.07Å; L6-F110 HydrophobicContact CD2-CB 4.36Å; L6-F110 HydrophobicContact CD2-CD1 3.8Å; L6-F110 HydrophobicContact CD2-CD2 3.88Å; L6-F110 HydrophobicContact CD2-CE1 3.98Å; L6-F110 HydrophobicContact CD2-CE2 4.09Å; L6-F110 HydrophobicContact CD2-CG 3.74Å; L6-F110 HydrophobicContact CD2-CZ 4.13Å; L6-F110 HydrophobicContact CG-CD1 4.42Å; W27-F110 HydrophobicContact CE3-CD2 4.48Å; W27-F110 AromaticContact CE3-CE2 3.72Å; W27-F110 HydrophobicContact CE3-CE2 3.72Å; W27-F110 HydrophobicContact CE3-CZ 4.04Å; W27-F110 HydrophobicContact CZ3-CE2 4.23Å; W27-F110 HydrophobicContact CZ3-CZ 4.07Å; F28-F110 WeakPolarHBondContact O-CA 3.16Å; F28-F110 VanDerWaalsContact O-CD2 3.3Å; F28-F110 WeakPolarHBondContact O-CD2 3.25Å; L29-F110 HydrophobicContact CD2-CB 4.14Å; L29-F110 HydrophobicContact CD2-CD2 3.99Å; F110-P112 HydrophobicContact CE1-CB 3.63Å; F110-P112 HydrophobicContact CE1-CG 3.98Å; F110-P112 HydrophobicContact CZ-CB 3.62Å; F110-P112 HydrophobicContact CZ-CG 4.4Å; F110-F116 HydrophobicContact CZ-CZ 4.31Å; F110-H155 HydrophobicContact CD1-CB 4.11Å; F110-H155 PolarHBondContact N-CE1 2.94Å; F110-H155 PolarHBondContact N-NE2 3.48Å; F110-H155 PolarHBondContact O-CE1 3.05Å; F110-H155 PolarHBondContact O-ND1 3.27Å; F110-F157 HydrophobicContact CB-CE2 4.19Å; F110-F157 HydrophobicContact CB-CZ 4Å
111Q98.4Very high97.7Very high50 Ų5031 Ų3123%0.23418%0.179CC..EExtended strand (participates in β ladder)trans-112.2101172.7-175.8175.276.200108.8F28 W43 Q113 L133F28-Q111 HydrophobicContact CB-CB 4.25Å; F28-Q111 WeakPolarHBondContact CB-O 3.43Å; F28-Q111 PolarHBondContact O-N 2.67Å; W43-Q111 HydrophobicContact CD2-CB 4.05Å; W43-Q111 HydrophobicContact CE3-CB 3.94Å; W43-Q111 HydrophobicContact CH2-CB 3.66Å; W43-Q111 HydrophobicContact CZ2-CB 3.78Å; W43-Q111 HydrophobicContact CZ3-CB 3.73Å; Q111-Q113 HydrophobicContact CG-CG 4.18Å; Q111-L133 HydrophobicContact CG-CD1 3.91Å
112P97.6Very high97.7Very high9 Ų937.4 Ų37.46%0.05821%0.209CC..  trans-63.6144.2168.929.6-32.9000109F110 F116 L132 L133 V153F110-P112 HydrophobicContact CE1-CB 3.63Å; F110-P112 HydrophobicContact CE1-CG 3.98Å; F110-P112 HydrophobicContact CZ-CB 3.62Å; F110-P112 HydrophobicContact CZ-CG 4.4Å; P112-F116 HydrophobicContact CB-CE2 3.8Å; P112-F116 HydrophobicContact CB-CZ 4.16Å; P112-L132 HydrophobicContact CB-CB 3.9Å; P112-L132 HydrophobicContact CG-CB 4.19Å; P112-L133 VanDerWaalsContact O-CA 3.32Å; P112-L133 WeakPolarHBondContact O-CA 3.32Å; P112-L133 PolarHBondContact O-N 2.99Å; P112-V153 HydrophobicContact CG-CG1 3.88Å
113Q96.7Very high97.7Very high49 Ų4939.4 Ų39.423%0.22922%0.221CC..  trans-135.2-148.3178.3-61.6-165.22.500109.2F28 Q111 F116 L132 L133F28-Q113 HydrophobicContact CD2-CB 4.22Å; F28-Q113 VanDerWaalsContact CD2-CD 3.44Å; F28-Q113 HydrophobicContact CD2-CG 3.71Å; F28-Q113 HydrophobicContact CE2-CB 4.13Å; F28-Q113 HydrophobicContact CE2-CG 3.91Å; F28-Q113 HydrophobicContact CG-CG 4.39Å; F28-Q113 VanDerWaalsContact CZ-OE1 3.25Å; Q111-Q113 HydrophobicContact CG-CG 4.18Å; Q113-F116 WeakPolarHBondContact O-CD2 3Å; Q113-L132 PolarHBondContact O-N 3.03Å; Q113-L132 VanDerWaalsContact O-N 3.13Å; Q113-L133 HydrophobicContact CG-CD1 4.16Å
114A96.6Very high97.8Very high59 Ų5937.7 Ų37.749%0.48823%0.228SC..SBendtrans-70.2164.5171.500000112.6N131A114-N131 HydrophobicContact CB-CB 4.15Å; A114-N131 PolarHBondContact N-OD1 2.88Å
115G96.8Very high97.9Very high28 Ų2837.8 Ų37.829%0.28922%0.224SC..  trans997.6178.300000113.7L21 F25 V130L21-G115 WeakPolarHBondContact CB-O 3.42Å; L21-G115 PolarHBondContact N-O 2.96Å; F25-G115 WeakPolarHBondContact CD2-O 3.37Å; F25-G115 WeakPolarHBondContact CE2-O 3.13Å; G115-V130 PolarHBondContact N-O 2.81Å
116F98.6Very high98Very high0 Ų041.5 Ų41.50%025%0.249CC..EExtended strand (participates in β ladder)trans-81.9153.8166.1-73.8-91.5000110.4V18 R19 F25 M97 F110 P112 Q113 P128 V130 L132V18-F116 HydrophobicContact CG1-CD1 4.22Å; R19-F116 CarbonylContact O-C 3.54Å; R19-F116 VanDerWaalsContact O-CA 3.26Å; R19-F116 WeakPolarHBondContact O-CA 3.47Å; F25-F116 AromaticContact CE2-CD2 3.83Å; F25-F116 HydrophobicContact CE2-CD2 3.83Å; F25-F116 AromaticContact CE2-CE2 3.78Å; F25-F116 HydrophobicContact CE2-CE2 3.78Å; F25-F116 HydrophobicContact CE2-CG 4.23Å; F25-F116 HydrophobicContact CE2-CZ 4.13Å; F25-F116 HydrophobicContact CZ-CD2 4.02Å; F25-F116 HydrophobicContact CZ-CE1 4.16Å; F25-F116 AromaticContact CZ-CE2 3.47Å; F25-F116 HydrophobicContact CZ-CE2 3.47Å; F25-F116 VanDerWaalsContact CZ-CE2 3.47Å; F25-F116 AromaticContact CZ-CZ 3.55Å; F25-F116 HydrophobicContact CZ-CZ 3.55Å; M97-F116 HydrophobicContact CE-CE1 4.46Å; M97-F116 HydrophobicContact SD-CE1 3.93Å; F110-F116 HydrophobicContact CZ-CZ 4.31Å; P112-F116 HydrophobicContact CB-CE2 3.8Å; P112-F116 HydrophobicContact CB-CZ 4.16Å; Q113-F116 WeakPolarHBondContact O-CD2 3Å; F116-P128 CarbonylContact O-C 3.52Å; F116-V130 HydrophobicContact CB-CB 3.79Å; F116-V130 HydrophobicContact CB-CG1 4.06Å; F116-V130 PolarHBondContact N-O 2.98Å; F116-V130 WeakPolarHBondContact O-CB 3.34Å; F116-V130 PolarHBondContact O-N 2.96Å; F116-L132 HydrophobicContact CD1-CD1 4.25Å; F116-L132 HydrophobicContact CD2-CD1 3.89Å; F116-L132 HydrophobicContact CD2-CG 4.2Å; F116-L132 HydrophobicContact CE1-CD1 4.43Å; F116-L132 HydrophobicContact CE2-CD1 4.07Å; F116-L132 HydrophobicContact CG-CD1 3.97Å; F116-L132 HydrophobicContact CZ-CD1 4.35Å
117A98.6Very high98Very high4 Ų439.1 Ų39.13%0.03324%0.238CC..EExtended strand (participates in β ladder)trans-126.5153.4166.200000110.2V18 R19 L21 F127V18-A117 CarbonylContact C-O 3.56Å; V18-A117 VanDerWaalsContact CA-O 3.26Å; V18-A117 WeakPolarHBondContact CA-O 3.44Å; R19-A117 PolarHBondContact N-O 2.78Å; R19-A117 PolarHBondContact O-N 3.28Å; L21-A117 HydrophobicContact CB-CB 4.13Å; L21-A117 HydrophobicContact CD1-CB 4.24Å; L21-A117 HydrophobicContact CD2-CB 4.19Å; L21-A117 HydrophobicContact CG-CB 4.42Å; A117-F127 CarbonylContact C-O 3.52Å; A117-F127 WeakPolarHBondContact CA-O 3.3Å
118A98.7Very high98Very high1 Ų142.4 Ų42.41%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-139.2171.5173.200000110.3V15 V18 F127 V130 I150V15-A118 HydrophobicContact CB-CB 4.48Å; V18-A118 HydrophobicContact CG2-CB 4.07Å; A118-F127 HydrophobicContact CB-CB 4.39Å; A118-F127 PolarHBondContact N-O 2.69Å; A118-F127 PolarHBondContact O-N 2.74Å; A118-V130 HydrophobicContact CB-CG2 4.16Å; A118-I150 HydrophobicContact CB-CD1 4.3Å
119E98.7Very high97.8Very high50 Ų5047.4 Ų47.423%0.23428%0.281CS..EExtended strand (participates in β ladder)trans-132142.7174.8-79.6148.8-143.500110.2V15 T16 N17 R19 A121 T125V15-E119 CarbonylContact C-O 3.55Å; V15-E119 VanDerWaalsContact CA-O 3.29Å; V15-E119 WeakPolarHBondContact CA-O 3.29Å; T16-E119 HydrophobicContact CG2-CB 4.45Å; T16-E119 PolarHBondContact N-O 3.03Å; T16-E119 PolarHBondContact O-N 2.98Å; N17-E119 HydrophobicContact CB-CB 4.44Å; N17-E119 PolarHBondContact ND2-OE1 2.51Å; N17-E119 PolarHBondContact ND2-OE2 3.01Å; R19-E119 IonicContact CZ-OE1 3.57Å; R19-E119 IonicContact NH1-OE1 3.46Å; R19-E119 PolarHBondContact NH1-OE1 3.1Å; R19-E119 IonicContact NH2-OE1 2.93Å; R19-E119 PolarHBondContact NH2-OE1 2.88Å; E119-A121 PolarHBondContact O-N 3.35Å; E119-T125 CarbonylContact C-O 3.51Å; E119-T125 VanDerWaalsContact CA-O 3.27Å; E119-T125 WeakPolarHBondContact CA-O 3.3Å
120G98.6Very high97.8Very high1 Ų144.4 Ų44.41%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-57.1128.9169.600000109.9E122 G124 T125G120-E122 VanDerWaalsContact C-N 3.3Å; G120-E122 PolarHBondContact O-N 2.85Å; G120-G124 WeakPolarHBondContact O-CA 3.47Å; G120-G124 PolarHBondContact O-N 2.83Å; G120-T125 PolarHBondContact N-O 2.85Å
121A97.7Very high97.8Very high48 Ų4847.5 Ų47.540%0.39728%0.282SS..THydrogen-bonded Turntrans-62.2-35.6-16700000113.1N14 E119N14-A121 WeakPolarHBondContact O-CB 3.29Å; N14-A121 PolarHBondContact O-N 3.12Å; E119-A121 PolarHBondContact O-N 3.35Å
122E96.9Very high97.8Very high169 Ų16945.1 Ų45.179%0.7927%0.271SS*.THydrogen-bonded Turntrans-98.6-33-179.4-58-162.716100113.4G120G120-E122 VanDerWaalsContact C-N 3.3Å; G120-E122 PolarHBondContact O-N 2.85Å
123T97.4Very high97.8Very high43 Ų4347.9 Ų47.926%0.26428%0.284SS..THydrogen-bonded Turntrans-97.8-20.2-167.661.40000113.5T125 D141 K143 A144T123-T125 PolarHBondContact O-N 2.94Å; T123-T125 WeakPolarHBondContact OG1-CB 3.31Å; T123-T125 PolarHBondContact OG1-N 2.99Å; T123-T125 PolarHBondContact OG1-OG1 3.11Å; T123-D141 WeakPolarHBondContact CB-OD2 3.47Å; T123-D141 WeakPolarHBondContact CG2-OD2 3.2Å; T123-D141 PolarHBondContact OG1-OD2 2.87Å; T123-K143 HydrophobicContact CG2-CB 3.73Å; T123-A144 HydrophobicContact CG2-CB 3.63Å
124G98Very high97.9Very high43 Ų4352.6 Ų52.644%0.44331%0.307SS..  trans62.920.1-166.300000113.7G120 P126G120-G124 WeakPolarHBondContact O-CA 3.47Å; G120-G124 PolarHBondContact O-N 2.83Å; G124-P126 WeakPolarHBondContact O-CD 3.43Å
125T98.6Very high97.9Very high22 Ų2255.7 Ų55.714%0.13531%0.309CS..  trans-58.2121175.1-66.30000109.2E119 G120 T123 F127 D141E119-T125 CarbonylContact C-O 3.51Å; E119-T125 VanDerWaalsContact CA-O 3.27Å; E119-T125 WeakPolarHBondContact CA-O 3.3Å; G120-T125 PolarHBondContact N-O 2.85Å; T123-T125 PolarHBondContact O-N 2.94Å; T123-T125 WeakPolarHBondContact OG1-CB 3.31Å; T123-T125 PolarHBondContact OG1-N 2.99Å; T123-T125 PolarHBondContact OG1-OG1 3.11Å; T125-F127 HydrophobicContact CG2-CE1 4.41Å; T125-F127 HydrophobicContact CG2-CE2 4.2Å; T125-F127 HydrophobicContact CG2-CZ 3.92Å; T125-F127 WeakPolarHBondContact O-CD2 3.18Å; T125-F127 WeakPolarHBondContact O-CE2 3.15Å; T125-D141 WeakPolarHBondContact CB-OD1 3.17Å; T125-D141 WeakPolarHBondContact CB-OD2 3.28Å; T125-D141 PolarHBondContact OG1-OD1 2.95Å; T125-D141 PolarHBondContact OG1-OD2 3.44Å
126P98.4Very high98Very high89 Ų8958.3 Ų58.358%0.57832%0.316SS*.EExtended strand (participates in β ladder)trans-79.8133.7-175.730.7-33.8000111.6G124 P128G124-P126 WeakPolarHBondContact O-CD 3.43Å; P126-P128 WeakPolarHBondContact O-CD 3.13Å
127F98.4Very high98Very high14 Ų1459.8 Ų59.86%0.06132%0.322CS..EExtended strand (participates in β ladder)trans-116.187.5171.1-60-79.7000108.7A117 A118 T125 V130 W137 D139 D141 V148A117-F127 CarbonylContact C-O 3.52Å; A117-F127 WeakPolarHBondContact CA-O 3.3Å; A118-F127 HydrophobicContact CB-CB 4.39Å; A118-F127 PolarHBondContact N-O 2.69Å; A118-F127 PolarHBondContact O-N 2.74Å; T125-F127 HydrophobicContact CG2-CE1 4.41Å; T125-F127 HydrophobicContact CG2-CE2 4.2Å; T125-F127 HydrophobicContact CG2-CZ 3.92Å; T125-F127 WeakPolarHBondContact O-CD2 3.18Å; T125-F127 WeakPolarHBondContact O-CE2 3.15Å; F127-V130 HydrophobicContact CB-CG2 4.21Å; F127-W137 HydrophobicContact CB-CH2 3.97Å; F127-W137 HydrophobicContact CB-CZ2 4.2Å; F127-W137 AromaticContact CD1-CH2 3.75Å; F127-W137 HydrophobicContact CD1-CH2 3.75Å; F127-W137 HydrophobicContact CD1-CZ2 4.09Å; F127-W137 HydrophobicContact CD2-CH2 4.37Å; F127-W137 HydrophobicContact CE1-CH2 4.35Å; F127-W137 AromaticContact CG-CH2 3.77Å; F127-W137 HydrophobicContact CG-CH2 3.77Å; F127-W137 HydrophobicContact CG-CZ2 4.3Å; F127-D139 HydrophobicContact CD1-CB 4.31Å; F127-D139 HydrophobicContact CE1-CB 4.13Å; F127-D141 HydrophobicContact CZ-CB 4.13Å; F127-V148 HydrophobicContact CE1-CG2 3.89Å; F127-V148 HydrophobicContact CE2-CG1 4.21Å; F127-V148 HydrophobicContact CE2-CG2 4.08Å; F127-V148 HydrophobicContact CZ-CB 4.41Å; F127-V148 HydrophobicContact CZ-CG1 4.17Å; F127-V148 HydrophobicContact CZ-CG2 3.59Å
128P97.4Very high98Very high71 Ų7164.9 Ų64.946%0.46135%0.349SS..EExtended strand (participates in β ladder)trans-82.6-11.9-169.730.7-34.8000115.1L21 F116 P126L21-P128 HydrophobicContact CD2-CB 4.33Å; F116-P128 CarbonylContact O-C 3.52Å; P126-P128 WeakPolarHBondContact O-CD 3.13Å
129E94.8Very high98Very high175 Ų17568.8 Ų68.882%0.81837%0.369SS*.EExtended strand (participates in β ladder)trans-122.150.7-170.7-64.2-173160.600111.9
130V98.3Very high98Very high0 Ų071.2 Ų71.20%038%0.377CS..EExtended strand (participates in β ladder)trans-77.2126176.7179.70000109.5G115 F116 A118 F127 L132 W137 I150G115-V130 PolarHBondContact N-O 2.81Å; F116-V130 HydrophobicContact CB-CB 3.79Å; F116-V130 HydrophobicContact CB-CG1 4.06Å; F116-V130 PolarHBondContact N-O 2.98Å; F116-V130 WeakPolarHBondContact O-CB 3.34Å; F116-V130 PolarHBondContact O-N 2.96Å; A118-V130 HydrophobicContact CB-CG2 4.16Å; F127-V130 HydrophobicContact CB-CG2 4.21Å; V130-L132 HydrophobicContact CG1-CD2 3.63Å; V130-L132 HydrophobicContact CG1-CG 3.85Å; V130-W137 HydrophobicContact CG1-CB 4.3Å; V130-W137 HydrophobicContact CG1-CD2 3.97Å; V130-W137 HydrophobicContact CG1-CE3 4.49Å; V130-W137 HydrophobicContact CG1-CG 3.87Å; V130-W137 HydrophobicContact CG2-CD2 4.28Å; V130-W137 HydrophobicContact CG2-CH2 4.35Å; V130-W137 HydrophobicContact CG2-CZ2 4.01Å; V130-I150 HydrophobicContact CG1-CD1 3.82Å
131N98.3Very high97.9Very high72 Ų7271.1 Ų71.139%0.38538%0.377SS..  trans-115.1116.3172.8-177.11.7000110.4A114 L133A114-N131 HydrophobicContact CB-CB 4.15Å; A114-N131 PolarHBondContact N-OD1 2.88Å; N131-L133 WeakPolarHBondContact OD1-CB 3.3Å; N131-L133 PolarHBondContact OD1-N 2.83Å
132L98.4Very high97.9Very high0 Ų075.2 Ų75.20%039%0.392CS..  trans-104.618.9-175.8-61.6179.9000113.2F8 P112 Q113 F116 V130 E134 K135 W137 I150 V153F8-L132 HydrophobicContact CE2-CD1 4.1Å; F8-L132 HydrophobicContact CZ-CD1 4.02Å; P112-L132 HydrophobicContact CB-CB 3.9Å; P112-L132 HydrophobicContact CG-CB 4.19Å; Q113-L132 PolarHBondContact O-N 3.03Å; Q113-L132 VanDerWaalsContact O-N 3.13Å; F116-L132 HydrophobicContact CD1-CD1 4.25Å; F116-L132 HydrophobicContact CD2-CD1 3.89Å; F116-L132 HydrophobicContact CD2-CG 4.2Å; F116-L132 HydrophobicContact CE1-CD1 4.43Å; F116-L132 HydrophobicContact CE2-CD1 4.07Å; F116-L132 HydrophobicContact CG-CD1 3.97Å; F116-L132 HydrophobicContact CZ-CD1 4.35Å; V130-L132 HydrophobicContact CG1-CD2 3.63Å; V130-L132 HydrophobicContact CG1-CG 3.85Å; L132-E134 VanDerWaalsContact C-N 3.3Å; L132-E134 PolarHBondContact O-N 3.02Å; L132-K135 WeakPolarHBondContact O-CA 3.44Å; L132-K135 PolarHBondContact O-N 3.49Å; L132-W137 HydrophobicContact CD2-CB 3.83Å; L132-I150 HydrophobicContact CD2-CB 4.09Å; L132-I150 HydrophobicContact CD2-CD1 4.28Å; L132-I150 HydrophobicContact CD2-CG2 3.87Å; L132-V153 HydrophobicContact CD1-CG2 4.25Å; L132-V153 HydrophobicContact CD2-CG2 4.19Å
133L98Very high98Very high67 Ų6774.2 Ų74.235%0.35139%0.385SS..THydrogen-bonded Turntrans-57-42.5178.6178.363.6000112.5Q111 P112 Q113 N131 K135Q111-L133 HydrophobicContact CG-CD1 3.91Å; P112-L133 VanDerWaalsContact O-CA 3.32Å; P112-L133 WeakPolarHBondContact O-CA 3.32Å; P112-L133 PolarHBondContact O-N 2.99Å; Q113-L133 HydrophobicContact CG-CD1 4.16Å; N131-L133 WeakPolarHBondContact OD1-CB 3.3Å; N131-L133 PolarHBondContact OD1-N 2.83Å; L133-K135 PolarHBondContact O-N 2.93Å
134E98.1Very high98Very high149 Ų14973.7 Ų73.770%0.69639%0.385SS*.THydrogen-bonded Turntrans-81.52.1178.8-61-55.1139.800112.9L132 D136L132-E134 VanDerWaalsContact C-N 3.3Å; L132-E134 PolarHBondContact O-N 3.02Å; E134-D136 PolarHBondContact O-N 2.9Å
135K98.2Very high98Very high123 Ų12379.5 Ų79.554%0.53540%0.398SS..SBendtrans65.3-3.9-176.3-52177178.4-177.30116.1L132 L133 E152 V153L132-K135 WeakPolarHBondContact O-CA 3.44Å; L132-K135 PolarHBondContact O-N 3.49Å; L133-K135 PolarHBondContact O-N 2.93Å; K135-E152 PolarHBondContact O-N 2.92Å; K135-V153 HydrophobicContact CB-CB 4.05Å; K135-V153 WeakPolarHBondContact O-CB 3.27Å; K135-V153 VanDerWaalsContact O-CG2 3.22Å; K135-V153 WeakPolarHBondContact O-CG2 3.28Å; K135-V153 PolarHBondContact O-N 3.49Å
136D98.2Very high98Very high83 Ų8380.9 Ų80.944%0.44440%0.403SS..  trans-128.3139.7173.1-62.3-48.8000109E134 I150 Y151 E152E134-D136 PolarHBondContact O-N 2.9Å; D136-I150 CarbonylContact C-O 3.58Å; D136-I150 WeakPolarHBondContact CA-O 3.23Å; D136-Y151 HydrophobicContact CB-CD1 4.1Å; D136-Y151 WeakPolarHBondContact OD1-CA 3.34Å; D136-Y151 WeakPolarHBondContact OD1-CB 3.34Å; D136-E152 PolarHBondContact OD1-N 2.97Å
137W98.6Very high97.9Very high31 Ų3179.9 Ų79.912%0.11740%0.397CS..EExtended strand (participates in β ladder)trans-143.3141.9174173.289.1000108.8V15 F127 V130 L132 D139 V148 G149 I150V15-W137 HydrophobicContact CG1-CZ3 4.42Å; F127-W137 HydrophobicContact CB-CH2 3.97Å; F127-W137 HydrophobicContact CB-CZ2 4.2Å; F127-W137 AromaticContact CD1-CH2 3.75Å; F127-W137 HydrophobicContact CD1-CH2 3.75Å; F127-W137 HydrophobicContact CD1-CZ2 4.09Å; F127-W137 HydrophobicContact CD2-CH2 4.37Å; F127-W137 HydrophobicContact CE1-CH2 4.35Å; F127-W137 AromaticContact CG-CH2 3.77Å; F127-W137 HydrophobicContact CG-CH2 3.77Å; F127-W137 HydrophobicContact CG-CZ2 4.3Å; V130-W137 HydrophobicContact CG1-CB 4.3Å; V130-W137 HydrophobicContact CG1-CD2 3.97Å; V130-W137 HydrophobicContact CG1-CE3 4.49Å; V130-W137 HydrophobicContact CG1-CG 3.87Å; V130-W137 HydrophobicContact CG2-CD2 4.28Å; V130-W137 HydrophobicContact CG2-CH2 4.35Å; V130-W137 HydrophobicContact CG2-CZ2 4.01Å; L132-W137 HydrophobicContact CD2-CB 3.83Å; W137-D139 HydrophobicContact CH2-CB 3.47Å; W137-D139 VanDerWaalsContact CH2-CB 3.47Å; W137-D139 HydrophobicContact CZ2-CB 3.41Å; W137-D139 VanDerWaalsContact CZ2-CB 3.41Å; W137-D139 HydrophobicContact CZ3-CB 4.29Å; W137-V148 HydrophobicContact CH2-CG2 3.98Å; W137-V148 HydrophobicContact CZ3-CB 4.49Å; W137-V148 HydrophobicContact CZ3-CG2 4.1Å; W137-G149 CarbonylContact O-C 3.56Å; W137-G149 WeakPolarHBondContact O-CA 3.37Å; W137-I150 HydrophobicContact CE3-CB 4.48Å; W137-I150 HydrophobicContact CE3-CD1 4.05Å; W137-I150 HydrophobicContact CE3-CG1 4.06Å; W137-I150 PolarHBondContact N-O 3.47Å; W137-I150 PolarHBondContact O-N 2.89Å
138N98.1Very high97.9Very high111 Ų11179.2 Ų79.259%0.59439%0.394SS*.EExtended strand (participates in β ladder)trans-146.1152.1176.967.4-80.3000110.7V148 Y151N138-V148 CarbonylContact C-O 3.49Å; N138-V148 VanDerWaalsContact CA-O 3.22Å; N138-V148 WeakPolarHBondContact CA-O 3.47Å; N138-Y151 HydrophobicContact CB-CE1 4.22Å
139D98.5Very high98Very high83 Ų8375.8 Ų75.844%0.44437%0.372SS..EExtended strand (participates in β ladder)trans-156-166.8176.6-153-22.9000109.1F127 W137 V148F127-D139 HydrophobicContact CD1-CB 4.31Å; F127-D139 HydrophobicContact CE1-CB 4.13Å; W137-D139 HydrophobicContact CH2-CB 3.47Å; W137-D139 VanDerWaalsContact CH2-CB 3.47Å; W137-D139 HydrophobicContact CZ2-CB 3.41Å; W137-D139 VanDerWaalsContact CZ2-CB 3.41Å; W137-D139 HydrophobicContact CZ3-CB 4.29Å; D139-V148 HydrophobicContact CB-CG2 3.71Å; D139-V148 PolarHBondContact N-O 3.24Å; D139-V148 VanDerWaalsContact O-CG2 3.31Å; D139-V148 WeakPolarHBondContact O-CG2 3.45Å; D139-V148 PolarHBondContact O-N 3.5Å
140Y98.3Very high98.2Very high101 Ų10167.5 Ų67.540%0.39633%0.333SS..EExtended strand (participates in β ladder)trans-130.2132.4179.2-166.2-102.3000111.8D142 K145 E146Y140-D142 WeakPolarHBondContact CD1-OD1 3.4Å; Y140-K145 VanDerWaalsContact CZ-C 3.44Å; Y140-K145 WeakPolarHBondContact OH-CA 3.5Å; Y140-K145 PolarHBondContact OH-O 3.08Å; Y140-E146 VanDerWaalsContact CD2-O 3.25Å; Y140-E146 WeakPolarHBondContact CD2-O 3.32Å
141D98.3Very high98.2Very high0 Ų070.1 Ų70.10%034%0.344CS..EExtended strand (participates in β ladder)trans-92.999.8172-171-19.7000110.1T123 T125 F127 K143 A144 K145 E146 V148T123-D141 WeakPolarHBondContact CB-OD2 3.47Å; T123-D141 WeakPolarHBondContact CG2-OD2 3.2Å; T123-D141 PolarHBondContact OG1-OD2 2.87Å; T125-D141 WeakPolarHBondContact CB-OD1 3.17Å; T125-D141 WeakPolarHBondContact CB-OD2 3.28Å; T125-D141 PolarHBondContact OG1-OD1 2.95Å; T125-D141 PolarHBondContact OG1-OD2 3.44Å; F127-D141 HydrophobicContact CZ-CB 4.13Å; D141-K143 PolarHBondContact O-N 3.39Å; D141-K143 VanDerWaalsContact O-N 3.14Å; D141-K143 WeakPolarHBondContact OD1-CB 3.25Å; D141-K143 PolarHBondContact OD1-N 3.14Å; D141-A144 HydrophobicContact CB-CB 4.18Å; D141-A144 PolarHBondContact O-N 3.28Å; D141-A144 PolarHBondContact OD1-N 3.24Å; D141-K145 WeakPolarHBondContact O-CA 3.25Å; D141-K145 PolarHBondContact O-N 2.86Å; D141-E146 PolarHBondContact N-O 3.28Å; D141-V148 HydrophobicContact CB-CG1 3.96Å
142D97.7Very high98.2Very high133 Ų13373.6 Ų73.671%0.71136%0.358SS*.THydrogen-bonded Turntrans-57.9-27.6180-76.4-42.4000113.8Y140Y140-D142 WeakPolarHBondContact CD1-OD1 3.4Å
143K97.9Very high98.2Very high149 Ų14974 Ų7465%0.64836%0.36SS*.THydrogen-bonded Turntrans-77.2-40.2-179.9-67.9-176.1-172.1165.30111.6T123 D141T123-K143 HydrophobicContact CG2-CB 3.73Å; D141-K143 PolarHBondContact O-N 3.39Å; D141-K143 VanDerWaalsContact O-N 3.14Å; D141-K143 WeakPolarHBondContact OD1-CB 3.25Å; D141-K143 PolarHBondContact OD1-N 3.14Å
144A97.5Very high98.3Very high32 Ų3273.6 Ų73.626%0.26436%0.36SS..THydrogen-bonded Turntrans-84.1-19.5177.400000112.9T123 D141 E146T123-A144 HydrophobicContact CG2-CB 3.63Å; D141-A144 HydrophobicContact CB-CB 4.18Å; D141-A144 PolarHBondContact O-N 3.28Å; D141-A144 PolarHBondContact OD1-N 3.24Å; A144-E146 VanDerWaalsContact C-N 3.33Å; A144-E146 HydrophobicContact CB-CG 3.65Å
145K97.8Very high98.3Very high164 Ų16468.7 Ų68.771%0.71334%0.337SS*.THydrogen-bonded Turntrans60.439.7-173.2-54.9-178.1178.3-178.90113.1Y140 D141Y140-K145 VanDerWaalsContact CZ-C 3.44Å; Y140-K145 WeakPolarHBondContact OH-CA 3.5Å; Y140-K145 PolarHBondContact OH-O 3.08Å; D141-K145 WeakPolarHBondContact O-CA 3.25Å; D141-K145 PolarHBondContact O-N 2.86Å
146E98Very high98.3Very high51 Ų5168.6 Ų68.624%0.23833%0.333CS..EExtended strand (participates in β ladder)trans-136.5158.6-178.669.4-169.4178.600112.1N14 Y140 D141 A144N14-E146 HydrophobicContact CB-CG 4.17Å; N14-E146 WeakPolarHBondContact CB-OE1 3.42Å; N14-E146 VanDerWaalsContact CG-CD 3.42Å; N14-E146 VanDerWaalsContact ND2-CD 3.3Å; N14-E146 PolarHBondContact ND2-OE2 2.65Å; Y140-E146 VanDerWaalsContact CD2-O 3.25Å; Y140-E146 WeakPolarHBondContact CD2-O 3.32Å; D141-E146 PolarHBondContact N-O 3.28Å; A144-E146 VanDerWaalsContact C-N 3.33Å; A144-E146 HydrophobicContact CB-CG 3.65Å
147C98Very high98.3Very high68 Ų6866.7 Ų66.746%0.45932%0.321SS..EExtended strand (participates in β ladder)trans-71.3147.2171.8-62.10000110N14N14-C147 PolarHBondContact ND2-O 3Å
148V98.6Very high98.3Very high0 Ų068 Ų680%033%0.33CS..EExtended strand (participates in β ladder)trans-123.1148.8172.8-73.40000109.5E13 N14 V15 F127 W137 N138 D139 D141E13-V148 CarbonylContact O-C 3.5Å; E13-V148 WeakPolarHBondContact O-CA 3.42Å; N14-V148 HydrophobicContact CB-CG1 3.94Å; V15-V148 HydrophobicContact CG1-CB 3.49Å; V15-V148 VanDerWaalsContact CG1-CB 3.49Å; V15-V148 HydrophobicContact CG1-CG1 3.73Å; V15-V148 HydrophobicContact CG1-CG2 4.4Å; F127-V148 HydrophobicContact CE1-CG2 3.89Å; F127-V148 HydrophobicContact CE2-CG1 4.21Å; F127-V148 HydrophobicContact CE2-CG2 4.08Å; F127-V148 HydrophobicContact CZ-CB 4.41Å; F127-V148 HydrophobicContact CZ-CG1 4.17Å; F127-V148 HydrophobicContact CZ-CG2 3.59Å; W137-V148 HydrophobicContact CH2-CG2 3.98Å; W137-V148 HydrophobicContact CZ3-CB 4.49Å; W137-V148 HydrophobicContact CZ3-CG2 4.1Å; N138-V148 CarbonylContact C-O 3.49Å; N138-V148 VanDerWaalsContact CA-O 3.22Å; N138-V148 WeakPolarHBondContact CA-O 3.47Å; D139-V148 HydrophobicContact CB-CG2 3.71Å; D139-V148 PolarHBondContact N-O 3.24Å; D139-V148 VanDerWaalsContact O-CG2 3.31Å; D139-V148 WeakPolarHBondContact O-CG2 3.45Å; D139-V148 PolarHBondContact O-N 3.5Å; D141-V148 HydrophobicContact CB-CG1 3.96Å
149G98.6Very high98.2Very high0 Ų070 Ų700%033%0.334CS..EExtended strand (participates in β ladder)trans-166156.2-177.700000116.3E13 V15 W137E13-G149 PolarHBondContact N-O 3.28Å; E13-G149 PolarHBondContact O-N 2.82Å; V15-G149 VanDerWaalsContact CG2-O 3.24Å; V15-G149 WeakPolarHBondContact CG2-O 3.01Å; W137-G149 CarbonylContact O-C 3.56Å; W137-G149 WeakPolarHBondContact O-CA 3.37Å
150I98.8Very high97.8Very high0 Ų071.1 Ų71.10%035%0.346CS..EExtended strand (participates in β ladder)trans-131.5112.6174.8-57.4167.2000106.1A10 N11 L12 V15 V18 A118 V130 L132 D136 W137 V153A10-I150 HydrophobicContact CB-CG2 3.79Å; N11-I150 WeakPolarHBondContact O-CA 3.06Å; L12-I150 HydrophobicContact CD2-CB 4.4Å; L12-I150 HydrophobicContact CD2-CG1 4Å; L12-I150 HydrophobicContact CD2-CG2 4.07Å; V15-I150 HydrophobicContact CG2-CG1 3.84Å; V18-I150 HydrophobicContact CB-CD1 4.49Å; V18-I150 HydrophobicContact CG1-CD1 3.95Å; V18-I150 HydrophobicContact CG2-CD1 3.67Å; V18-I150 HydrophobicContact CG2-CG1 4.17Å; A118-I150 HydrophobicContact CB-CD1 4.3Å; V130-I150 HydrophobicContact CG1-CD1 3.82Å; L132-I150 HydrophobicContact CD2-CB 4.09Å; L132-I150 HydrophobicContact CD2-CD1 4.28Å; L132-I150 HydrophobicContact CD2-CG2 3.87Å; D136-I150 CarbonylContact C-O 3.58Å; D136-I150 WeakPolarHBondContact CA-O 3.23Å; W137-I150 HydrophobicContact CE3-CB 4.48Å; W137-I150 HydrophobicContact CE3-CD1 4.05Å; W137-I150 HydrophobicContact CE3-CG1 4.06Å; W137-I150 PolarHBondContact N-O 3.47Å; W137-I150 PolarHBondContact O-N 2.89Å; I150-V153 HydrophobicContact CG2-CG2 3.76Å
151Y98.8Very high97.7Very high56 Ų5669.6 Ų69.622%0.2234%0.344CS..EExtended strand (participates in β ladder)trans-125.5163-171.1-48.1-75.3000112.9A10 N11 E13 D136 N138 V153A10-Y151 WeakPolarHBondContact CA-O 3.2Å; N11-Y151 PolarHBondContact N-O 2.86Å; N11-Y151 PolarHBondContact O-N 2.79Å; E13-Y151 HydrophobicContact CB-CE2 3.8Å; E13-Y151 VanDerWaalsContact OE2-CE2 3.24Å; E13-Y151 WeakPolarHBondContact OE2-CE2 3.46Å; E13-Y151 PolarHBondContact OE2-OH 3.09Å; D136-Y151 HydrophobicContact CB-CD1 4.1Å; D136-Y151 WeakPolarHBondContact OD1-CA 3.34Å; D136-Y151 WeakPolarHBondContact OD1-CB 3.34Å; N138-Y151 HydrophobicContact CB-CE1 4.22Å; Y151-V153 PolarHBondContact O-N 2.84Å; Y151-V153 VanDerWaalsContact O-N 3.14Å
152E98.4Very high97.7Very high145 Ų14573.3 Ų73.368%0.67836%0.362SS*.EExtended strand (participates in β ladder)trans51.438.4174.6-57.8-174.6-178.200112.5K135 D136 T154K135-E152 PolarHBondContact O-N 2.92Å; D136-E152 PolarHBondContact OD1-N 2.97Å; E152-T154 PolarHBondContact O-N 2.83Å; E152-T154 VanDerWaalsContact O-N 3.1Å
153V98.8Very high97.7Very high8 Ų869.9 Ų69.95%0.04834%0.342CS..EExtended strand (participates in β ladder)trans-57.8122.2-177.31740000109.8F8 A10 P112 L132 K135 I150 Y151F8-V153 HydrophobicContact CD2-CG1 4.19Å; F8-V153 HydrophobicContact CE2-CG1 3.4Å; F8-V153 HydrophobicContact CE2-CG2 4.34Å; F8-V153 HydrophobicContact CZ-CG1 3.85Å; F8-V153 HydrophobicContact CZ-CG2 3.98Å; A10-V153 HydrophobicContact CB-CG2 3.98Å; P112-V153 HydrophobicContact CG-CG1 3.88Å; L132-V153 HydrophobicContact CD1-CG2 4.25Å; L132-V153 HydrophobicContact CD2-CG2 4.19Å; K135-V153 HydrophobicContact CB-CB 4.05Å; K135-V153 WeakPolarHBondContact O-CB 3.27Å; K135-V153 VanDerWaalsContact O-CG2 3.22Å; K135-V153 WeakPolarHBondContact O-CG2 3.28Å; K135-V153 PolarHBondContact O-N 3.49Å; I150-V153 HydrophobicContact CG2-CG2 3.76Å; Y151-V153 PolarHBondContact O-N 2.84Å; Y151-V153 VanDerWaalsContact O-N 3.14Å
154T98.6Very high97.7Very high59 Ų5965.3 Ų65.336%0.36233%0.325SS..EExtended strand (participates in β ladder)trans-138.6164.8178.5-167.30000110.5K9 F94 E152K9-T154 HydrophobicContact CB-CG2 3.81Å; K9-T154 HydrophobicContact CD-CG2 4.13Å; K9-T154 HydrophobicContact CG-CG2 3.98Å; K9-T154 PolarHBondContact N-O 2.82Å; K9-T154 PolarHBondContact O-N 2.79Å; K9-T154 VanDerWaalsContact O-O 3.1Å; F94-T154 HydrophobicContact CE1-CG2 4.06Å; F94-T154 HydrophobicContact CZ-CG2 3.94Å; E152-T154 PolarHBondContact O-N 2.83Å; E152-T154 VanDerWaalsContact O-N 3.1Å
155H98.8Very high97.7Very high45 Ų4567.4 Ų67.421%0.20833%0.328CS..EExtended strand (participates in β ladder)trans-146.9163.3-175.871.3-88.2000112L6 Q7 D109 F110 F157L6-H155 HydrophobicContact CD1-CB 3.81Å; Q7-H155 CarbonylContact O-C 3.56Å; Q7-H155 WeakPolarHBondContact O-CA 3.27Å; Q7-H155 WeakPolarHBondContact O-CB 3.4Å; D109-H155 IonicContact OD1-CE1 3.77Å; D109-H155 PolarHBondContact OD1-CE1 3.35Å; D109-H155 IonicContact OD1-NE2 2.68Å; D109-H155 PolarHBondContact OD1-NE2 3.05Å; F110-H155 HydrophobicContact CD1-CB 4.11Å; F110-H155 PolarHBondContact N-CE1 2.94Å; F110-H155 PolarHBondContact N-NE2 3.48Å; F110-H155 PolarHBondContact O-CE1 3.05Å; F110-H155 PolarHBondContact O-ND1 3.27Å; H155-F157 AromaticContact CD2-CE2 3.92Å
156R98.6Very high97.7Very high121 Ų12160.9 Ų60.946%0.45730%0.303SS..EExtended strand (participates in β ladder)trans-150.6155.8165.366.6-176.2-173.3-176.60110.3Q7 F94Q7-R156 HydrophobicContact CB-CG 3.92Å; Q7-R156 HydrophobicContact CG-CG 4.46Å; Q7-R156 PolarHBondContact N-O 3.14Å; Q7-R156 PolarHBondContact O-N 3.31Å; F94-R156 HydrophobicContact CD1-CG 3.73Å; F94-R156 HydrophobicContact CE1-CB 4.21Å; F94-R156 HydrophobicContact CE1-CG 3.78Å; F94-R156 HydrophobicContact CG-CG 4.19Å; F94-R156 HydrophobicContact CZ-CG 4.28Å
157F98.6Very high97.7Very high44 Ų4461.6 Ų61.619%0.19331%0.307CS..EExtended strand (participates in β ladder)trans-99136.7170.4-69.1-82.5000110.5F4 G5 L6 L29 F100 P107 F110 H155F4-F157 HydrophobicContact CB-CD1 4.49Å; G5-F157 WeakPolarHBondContact O-CA 3.45Å; L6-F157 HydrophobicContact CB-CD1 4.22Å; L6-F157 HydrophobicContact CB-CE1 3.77Å; L6-F157 HydrophobicContact CB-CZ 4.47Å; L6-F157 HydrophobicContact CD1-CD1 4.43Å; L6-F157 HydrophobicContact CD1-CE1 3.87Å; L6-F157 HydrophobicContact CD1-CE2 4.26Å; L6-F157 HydrophobicContact CD1-CZ 3.76Å; L6-F157 HydrophobicContact CG-CE1 4.29Å; L29-F157 HydrophobicContact CD2-CE1 4.39Å; L29-F157 HydrophobicContact CD2-CZ 3.79Å; F100-F157 HydrophobicContact CD2-CE1 4.42Å; F100-F157 HydrophobicContact CE2-CE1 4.18Å; P107-F157 HydrophobicContact CB-CD1 4Å; P107-F157 HydrophobicContact CB-CE1 3.56Å; P107-F157 HydrophobicContact CB-CE2 4.28Å; P107-F157 HydrophobicContact CB-CZ 3.72Å; P107-F157 HydrophobicContact CG-CD1 3.69Å; P107-F157 HydrophobicContact CG-CE1 3.67Å; P107-F157 HydrophobicContact CG-CG 4.34Å; P107-F157 HydrophobicContact CG-CZ 4.33Å; F110-F157 HydrophobicContact CB-CE2 4.19Å; F110-F157 HydrophobicContact CB-CZ 4Å; H155-F157 AromaticContact CD2-CE2 3.92Å
158I98.1Very high97.7Very high57 Ų5761.2 Ų61.229%0.29230%0.295SS..EExtended strand (participates in β ladder)trans-114.8140.516859.3166.2000109.1F4 G5 Q7F4-I158 CarbonylContact C-O 3.53Å; F4-I158 VanDerWaalsContact CA-O 3.28Å; F4-I158 WeakPolarHBondContact CA-O 3.47Å; G5-I158 PolarHBondContact N-O 3.43Å; G5-I158 PolarHBondContact O-N 3.32Å; Q7-I158 HydrophobicContact CG-CD1 4.22Å; Q7-I158 HydrophobicContact CG-CG1 4.12Å; Q7-I158 HydrophobicContact CG-CG2 4.33Å
159K96.1Very high97.6Very high155 Ų15566.3 Ų66.367%0.67432%0.32SS*.EExtended strand (participates in β ladder)trans-81125.9169.5-169.5175.3176.8-179.50108.1V2 F4V2-K159 HydrophobicContact CG1-CD 4.03Å; V2-K159 VanDerWaalsContact CG1-CE 3.47Å; V2-K159 HydrophobicContact CG1-CG 3.72Å; F4-K159 HydrophobicContact CD1-CB 4.46Å; F4-K159 HydrophobicContact CE1-CB 4.28Å; F4-K159 HydrophobicContact CE1-CG 4.33Å
160C89.1Confident97.5Very high105 Ų10572.3 Ų72.371%0.70935%0.349SS*.  trans-95.80179.8-54.10000111.8K3K3-C160 HydrophobicContact CB-CB 3.87Å; K3-C160 PolarHBondContact O-N 2.89Å

Retrieved 160 of 160 residues in 65.5 ms (Link to these results)

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