A0A096MSH7_PAPAN Loading...

Anti-silencing function 1A histone chaperone

AlphaFold DB (Q9Y294), UniProt , Accession A0A096MSH7, Species PAPAN (Papio anubis, Olive baboon), Gene ASF1A, Length 204 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
1M80.7Confident94.3Very high204 Ų20454.2 Ų54.2100%1.00529%0.292SS*.  0153.70-178.1173.9-93.500107.2K3 I31M1-K3 PolarHBondContact O-N 3.32Å; M1-I31 HydrophobicContact SD-CD1 4.3Å
2A90.2Very high94.6Very high38 Ų3854 Ų5431%0.31429%0.29SS..  trans-66128.317400000109.6V4 I31 W153A2-V4 VanDerWaalsContact C-N 3.33Å; A2-I31 VanDerWaalsContact O-CD1 3.29Å; A2-I31 WeakPolarHBondContact O-CD1 3.19Å; A2-W153 HydrophobicContact CB-CZ2 3.76Å
3K94.1Very high94.8Very high18 Ų1855.5 Ų55.58%0.07830%0.298CS..SBendtrans-78.1-22.2179-59.8-177.9179.2-172.70112M1 C30 I31 E32 L34 W153 E154M1-K3 PolarHBondContact O-N 3.32Å; K3-C30 CarbonylContact O-C 3.56Å; K3-C30 WeakPolarHBondContact O-CA 3.08Å; K3-I31 PolarHBondContact O-N 3.11Å; K3-E32 HydrophobicContact CB-CG 4.32Å; K3-E32 HydrophobicContact CD-CG 3.74Å; K3-E32 WeakPolarHBondContact CD-OE1 3.44Å; K3-E32 WeakPolarHBondContact CE-OE1 3.3Å; K3-E32 HydrophobicContact CG-CG 4.07Å; K3-E32 IonicContact NZ-OE1 3.01Å; K3-E32 PolarHBondContact NZ-OE1 3.46Å; K3-L34 HydrophobicContact CB-CD2 3.95Å; K3-L34 HydrophobicContact CD-CD2 3.93Å; K3-W153 HydrophobicContact CB-CD2 3.92Å; K3-W153 HydrophobicContact CB-CE3 3.57Å; K3-W153 HydrophobicContact CB-CH2 4.47Å; K3-W153 HydrophobicContact CB-CZ3 3.87Å; K3-W153 HydrophobicContact CD-CB 3.68Å; K3-W153 HydrophobicContact CD-CD2 4.18Å; K3-W153 HydrophobicContact CD-CE3 4Å; K3-W153 HydrophobicContact CD-CG 4.09Å; K3-W153 VanDerWaalsContact CE-CB 3.43Å; K3-W153 HydrophobicContact CG-CB 4.02Å; K3-W153 HydrophobicContact CG-CD2 3.8Å; K3-W153 HydrophobicContact CG-CE3 3.83Å; K3-W153 HydrophobicContact CG-CG 3.9Å; K3-E154 WeakPolarHBondContact CE-OE1 3.11Å; K3-E154 IonicContact NZ-OE1 2.92Å; K3-E154 PolarHBondContact NZ-OE1 3.41Å; K3-E154 IonicContact NZ-OE2 3.69Å; K3-E154 PolarHBondContact NZ-OE2 3.01Å; K3-E154 VanDerWaalsContact NZ-OE2 3.07Å
4V96Very high95.1Very high2 Ų255.1 Ų55.11%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-117.3134.5177.7-178.40000110.9A2 F28 E29 L34 L38 F106 W153A2-V4 VanDerWaalsContact C-N 3.33Å; V4-F28 HydrophobicContact CG1-CB 4.37Å; V4-F28 HydrophobicContact CG1-CD2 3.83Å; V4-F28 HydrophobicContact CG1-CG 4.43Å; V4-E29 CarbonylContact C-O 3.56Å; V4-E29 WeakPolarHBondContact CA-O 3.39Å; V4-L34 HydrophobicContact CG2-CD1 3.64Å; V4-L38 HydrophobicContact CG1-CD1 4.22Å; V4-L38 HydrophobicContact CG2-CD1 4.06Å; V4-L38 HydrophobicContact CG2-CD2 4.14Å; V4-F106 HydrophobicContact CB-CE2 3.84Å; V4-F106 HydrophobicContact CB-CZ 3.87Å; V4-F106 HydrophobicContact CG1-CE2 3.98Å; V4-F106 HydrophobicContact CG1-CZ 3.9Å; V4-W153 HydrophobicContact CB-CH2 3.87Å; V4-W153 HydrophobicContact CB-CZ3 4.21Å; V4-W153 HydrophobicContact CG2-CH2 4.02Å; V4-W153 HydrophobicContact CG2-CZ3 3.83Å
5Q95.1Very high95.2Very high89 Ų8955.8 Ų55.842%0.41630%0.304SS..EExtended strand (participates in β ladder)trans-125.9120.6174.2179.4173.2-5400110.6N7 F28 E29Q5-N7 PolarHBondContact NE2-OD1 3.22Å; Q5-N7 PolarHBondContact O-N 2.57Å; Q5-F28 CarbonylContact O-C 3.59Å; Q5-F28 VanDerWaalsContact O-CA 3.26Å; Q5-F28 WeakPolarHBondContact O-CA 3.15Å; Q5-F28 WeakPolarHBondContact O-CB 3.46Å; Q5-E29 PolarHBondContact N-O 3.37Å; Q5-E29 PolarHBondContact O-N 2.77Å
6V96.5Very high95.4Very high13 Ų1352.5 Ų52.58%0.07929%0.287CS..EExtended strand (participates in β ladder)trans-77.4122.8169.7-172.50000108.9V9 I26 F28 W40 I107V6-V9 HydrophobicContact CG1-CG2 3.87Å; V6-I26 HydrophobicContact CG1-CG2 4.33Å; V6-F28 HydrophobicContact CG2-CB 4.33Å; V6-W40 HydrophobicContact CG2-CH2 3.61Å; V6-W40 HydrophobicContact CG2-CZ3 4.3Å; V6-I107 HydrophobicContact CB-CD1 3.71Å; V6-I107 HydrophobicContact CG2-CD1 3.61Å; V6-I107 HydrophobicContact CG2-CG2 3.98Å
7N95.1Very high95.6Very high62 Ų6253.5 Ų53.533%0.33230%0.296SS..EExtended strand (participates in β ladder)trans-98-40.7-173.5-75.1-27.6000111.9Q5 T27 E29Q5-N7 PolarHBondContact NE2-OD1 3.22Å; Q5-N7 PolarHBondContact O-N 2.57Å; N7-T27 HydrophobicContact CB-CG2 4.28Å; N7-T27 PolarHBondContact N-O 3.15Å; N7-E29 WeakPolarHBondContact ND2-CB 3.49Å; N7-E29 PolarHBondContact ND2-OE2 3.11Å
8N95.6Very high95.7Very high83 Ų8350.6 Ų50.644%0.44428%0.28SS..EExtended strand (participates in β ladder)trans-152.5149.6179.2-165.326.3000111.1V10 T27N8-V10 VanDerWaalsContact ND2-CG2 3.31Å; N8-V10 WeakPolarHBondContact ND2-CG2 3.06Å; N8-T27 PolarHBondContact N-O 3.07Å; N8-T27 VanDerWaalsContact N-O 3.13Å; N8-T27 PolarHBondContact O-N 3.26Å
9V97.6Very high95.9Very high17 Ų1754.4 Ų54.410%0.10329%0.291CS..EExtended strand (participates in β ladder)trans-134.3112.7169.9-179.70000107.3V6 F24 E25 I26 I97 Y111V6-V9 HydrophobicContact CG1-CG2 3.87Å; V9-F24 HydrophobicContact CG1-CB 4.18Å; V9-F24 HydrophobicContact CG1-CD1 4.01Å; V9-F24 HydrophobicContact CG1-CG 4.44Å; V9-E25 WeakPolarHBondContact CA-O 3.27Å; V9-I26 HydrophobicContact CG1-CG1 4.38Å; V9-I26 HydrophobicContact CG2-CG1 4.44Å; V9-I97 HydrophobicContact CG1-CD1 3.77Å; V9-Y111 HydrophobicContact CG1-CE2 4.12Å; V9-Y111 PolarHBondContact O-OH 2.8Å
10V98Very high96Very high50 Ų5054.3 Ų54.330%0.30329%0.29SS..EExtended strand (participates in β ladder)trans-98.4124177.3-1730000108.6N8 L12 F24 E25N8-V10 VanDerWaalsContact ND2-CG2 3.31Å; N8-V10 WeakPolarHBondContact ND2-CG2 3.06Å; V10-L12 HydrophobicContact CB-CD2 4.43Å; V10-L12 HydrophobicContact CG1-CD2 3.92Å; V10-F24 CarbonylContact O-C 3.4Å; V10-F24 WeakPolarHBondContact O-CA 3.37Å; V10-E25 HydrophobicContact CB-CB 4.16Å; V10-E25 PolarHBondContact N-O 2.96Å; V10-E25 PolarHBondContact O-N 3.47Å
11V98.3Very high96.1Very high20 Ų2053.2 Ų53.212%0.12129%0.286CS..EExtended strand (participates in β ladder)trans-81.1117.5172.8-171.70000108.5N14 F24 Y111 I139 A141V11-N14 HydrophobicContact CG1-CB 3.87Å; V11-F24 HydrophobicContact CB-CD1 4.5Å; V11-F24 HydrophobicContact CB-CE1 4.5Å; V11-F24 HydrophobicContact CG1-CD1 4.49Å; V11-F24 HydrophobicContact CG1-CE1 4.2Å; V11-F24 HydrophobicContact CG2-CD1 4.05Å; V11-F24 HydrophobicContact CG2-CE1 3.9Å; V11-Y111 HydrophobicContact CG2-CD1 4.42Å; V11-Y111 HydrophobicContact CG2-CE1 4.02Å; V11-Y111 HydrophobicContact CG2-CE2 4.26Å; V11-I139 HydrophobicContact CG1-CB 4.01Å; V11-I139 HydrophobicContact CG1-CD1 3.66Å; V11-I139 HydrophobicContact CG1-CG1 4.38Å; V11-I139 HydrophobicContact CG1-CG2 4.07Å; V11-I139 HydrophobicContact CG2-CG2 4.11Å; V11-A141 HydrophobicContact CB-CB 3.9Å; V11-A141 HydrophobicContact CG2-CB 3.62Å
12L98.1Very high97Very high52 Ų5243.6 Ų43.627%0.27224%0.239SC..PPolyproline II helixtrans-94.6164.7177.1-48.6178.5000110V10 N14 Q23 E25 V73V10-L12 HydrophobicContact CB-CD2 4.43Å; V10-L12 HydrophobicContact CG1-CD2 3.92Å; L12-N14 PolarHBondContact O-N 3.46Å; L12-Q23 HydrophobicContact CB-CB 3.77Å; L12-Q23 HydrophobicContact CD1-CB 4.37Å; L12-Q23 HydrophobicContact CG-CB 4.46Å; L12-Q23 PolarHBondContact N-O 3.49Å; L12-E25 HydrophobicContact CD1-CB 4.28Å; L12-E25 HydrophobicContact CD2-CB 4.44Å; L12-E25 HydrophobicContact CG-CB 4.47Å; L12-V73 HydrophobicContact CD1-CG1 4.22Å; L12-V73 HydrophobicContact CD1-CG2 4.49Å
13D97.7Very high97.3Very high73 Ų7344 Ų4439%0.3923%0.234SC..SBendtrans45.856.1177.5-167.138000114S16 N20D13-S16 WeakPolarHBondContact O-CB 2.84Å; D13-S16 PolarHBondContact O-OG 3.29Å; D13-N20 PolarHBondContact OD2-ND2 3.23Å
14N97.8Very high97.5Very high51 Ų5143.1 Ų43.127%0.27323%0.23SC..  trans-137.1131.1-174.5-176.362.7000112.4V11 L12 I139V11-N14 HydrophobicContact CG1-CB 3.87Å; L12-N14 PolarHBondContact O-N 3.46Å; N14-I139 PolarHBondContact ND2-O 2.71Å; N14-I139 PolarHBondContact OD1-N 3.14Å
15P97.5Very high97.7Very high65 Ų6545.7 Ų45.742%0.42224%0.242SC..SBendcis-71156.5-5.132.9-36.7000112.3Q136 R137 N138P15-Q136 HydrophobicContact CB-CG 3.96Å; P15-R137 WeakPolarHBondContact CA-O 3.14Å; P15-N138 HydrophobicContact CB-CB 4.07Å
16S98.2Very high97.8Very high3 Ų341.5 Ų41.52%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-144.8161.9-17946.30000112.3D13 R137D13-S16 WeakPolarHBondContact O-CB 2.84Å; D13-S16 PolarHBondContact O-OG 3.29Å; S16-R137 PolarHBondContact N-O 3.46Å; S16-R137 PolarHBondContact O-N 2.94Å; S16-R137 PolarHBondContact OG-NH2 3.35Å
17P98.4Very high97.8Very high70 Ų7041.1 Ų41.146%0.45522%0.22SC..EExtended strand (participates in β ladder)trans-52.9147.6171.1-26.235.1000112.2Y19 N20P17-Y19 PolarHBondContact O-N 2.92Å; P17-Y19 VanDerWaalsContact O-N 3.14Å; P17-N20 WeakPolarHBondContact O-CB 3.16Å; P17-N20 PolarHBondContact O-N 3.01Å
18F98.3Very high97.9Very high1 Ų138.2 Ų38.20%0.00421%0.205CC..THydrogen-bonded Turntrans-52.6-40.8-177.5179.8-86.5000113.4N20 A78 P79 P81 I84 F132 L135 R137F18-N20 VanDerWaalsContact C-N 3.27Å; F18-N20 PolarHBondContact O-N 2.93Å; F18-A78 VanDerWaalsContact O-CB 3.27Å; F18-A78 WeakPolarHBondContact O-CB 3.43Å; F18-P79 HydrophobicContact CE1-CG 4.13Å; F18-P79 HydrophobicContact CE2-CG 4.32Å; F18-P79 HydrophobicContact CZ-CG 3.6Å; F18-P81 HydrophobicContact CE1-CG 4Å; F18-I84 HydrophobicContact CE2-CD1 4.39Å; F18-I84 HydrophobicContact CZ-CD1 3.77Å; F18-F132 HydrophobicContact CD1-CB 4.11Å; F18-F132 AromaticContact CD1-CD1 3.78Å; F18-F132 HydrophobicContact CD1-CD1 3.78Å; F18-F132 HydrophobicContact CD1-CG 4.42Å; F18-F132 AromaticContact CD2-CD1 4Å; F18-F132 HydrophobicContact CD2-CD1 4Å; F18-F132 HydrophobicContact CE1-CB 4.46Å; F18-F132 AromaticContact CE1-CD1 3.5Å; F18-F132 HydrophobicContact CE1-CD1 3.5Å; F18-F132 VanDerWaalsContact CE1-CD1 3.5Å; F18-F132 HydrophobicContact CE1-CE1 4.11Å; F18-F132 HydrophobicContact CE1-CG 4.34Å; F18-F132 AromaticContact CE2-CD1 3.69Å; F18-F132 HydrophobicContact CE2-CD1 3.69Å; F18-F132 AromaticContact CE2-CE1 3.9Å; F18-F132 HydrophobicContact CE2-CE1 3.9Å; F18-F132 HydrophobicContact CG-CD1 4.02Å; F18-F132 AromaticContact CZ-CD1 3.42Å; F18-F132 HydrophobicContact CZ-CD1 3.42Å; F18-F132 VanDerWaalsContact CZ-CD1 3.42Å; F18-F132 AromaticContact CZ-CE1 3.62Å; F18-F132 HydrophobicContact CZ-CE1 3.62Å; F18-L135 HydrophobicContact CB-CB 3.93Å; F18-L135 PolarHBondContact N-O 3.37Å; F18-R137 PolarHBondContact O-NH1 3.27Å
19Y98.4Very high98Very high122 Ų12238.3 Ų38.348%0.47820%0.203SC..THydrogen-bonded Turntrans-77.1-6.4-179.2-68.1-64.2000114.7P17 P81 F132P17-Y19 PolarHBondContact O-N 2.92Å; P17-Y19 VanDerWaalsContact O-N 3.14Å; Y19-P81 HydrophobicContact CE1-CG 3.56Å; Y19-F132 HydrophobicContact CE2-CB 3.98Å; Y19-F132 WeakPolarHBondContact OH-CB 3.31Å
20N98.2Very high97.9Very high53 Ų5337.6 Ų37.628%0.28320%0.198SC..SBendtrans-67.6142.8173.5-8530.9000109.9D13 P17 F18 R137D13-N20 PolarHBondContact OD2-ND2 3.23Å; P17-N20 WeakPolarHBondContact O-CB 3.16Å; P17-N20 PolarHBondContact O-N 3.01Å; F18-N20 VanDerWaalsContact C-N 3.27Å; F18-N20 PolarHBondContact O-N 2.93Å; N20-R137 PolarHBondContact O-NH1 3.08Å; N20-R137 PolarHBondContact O-NH2 3.3Å
21P98.5Very high97.8Very high32 Ų3239.8 Ų39.821%0.20821%0.207CC..PPolyproline II helixtrans-54.6146.2172.1-26.335.5000112.3Q75 A76 R137P21-Q75 HydrophobicContact CB-CG 3.67Å; P21-A76 CarbonylContact C-O 3.57Å; P21-A76 WeakPolarHBondContact CA-O 3.38Å; P21-A76 VanDerWaalsContact CB-O 3.29Å; P21-A76 WeakPolarHBondContact CB-O 3.29Å; P21-R137 PolarHBondContact O-NH2 3.14Å
22F98.5Very high97.5Very high1 Ų142.9 Ų42.90%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-70.5138.8163.5-73.6-98.8000108.8F24 Y44 L57 Q75 A76 V95 I139F22-F24 HydrophobicContact CB-CD2 4.48Å; F22-F24 HydrophobicContact CB-CE2 3.84Å; F22-F24 HydrophobicContact CB-CZ 4.48Å; F22-F24 HydrophobicContact CD1-CE2 4.07Å; F22-F24 AromaticContact CD1-CZ 3.94Å; F22-F24 HydrophobicContact CD1-CZ 3.94Å; F22-F24 HydrophobicContact CG-CE2 4.38Å; F22-Y44 HydrophobicContact CE2-CD2 4.22Å; F22-Y44 AromaticContact CZ-CD2 3.69Å; F22-Y44 HydrophobicContact CZ-CD2 3.69Å; F22-Y44 AromaticContact CZ-CE2 3.87Å; F22-Y44 HydrophobicContact CZ-CE2 3.87Å; F22-L57 HydrophobicContact CD2-CD1 3.42Å; F22-L57 VanDerWaalsContact CD2-CD1 3.42Å; F22-L57 HydrophobicContact CE2-CD1 3.54Å; F22-L57 HydrophobicContact CG-CD1 4.19Å; F22-L57 HydrophobicContact CZ-CD1 4.36Å; F22-Q75 CarbonylContact O-C 3.58Å; F22-Q75 WeakPolarHBondContact O-CA 3.32Å; F22-Q75 WeakPolarHBondContact O-CG 3.26Å; F22-A76 PolarHBondContact N-O 3.31Å; F22-A76 PolarHBondContact O-N 3.05Å; F22-V95 HydrophobicContact CD1-CG2 4.11Å; F22-V95 HydrophobicContact CE1-CB 4.05Å; F22-V95 HydrophobicContact CE1-CG1 4.09Å; F22-V95 HydrophobicContact CE1-CG2 3.9Å; F22-V95 HydrophobicContact CZ-CG2 4.47Å; F22-I139 HydrophobicContact CD1-CD1 3.66Å; F22-I139 HydrophobicContact CE1-CD1 3.74Å; F22-I139 HydrophobicContact CE1-CG1 4.39Å
23Q98.4Very high97.3Very high47 Ų4745.8 Ų45.822%0.2224%0.236CC..EExtended strand (participates in β ladder)trans-136118.6179-69.6176.663.600109.8L12 Q75L12-Q23 HydrophobicContact CB-CB 3.77Å; L12-Q23 HydrophobicContact CD1-CB 4.37Å; L12-Q23 HydrophobicContact CG-CB 4.46Å; L12-Q23 PolarHBondContact N-O 3.49Å; Q23-Q75 HydrophobicContact CG-CB 4.21Å; Q23-Q75 HydrophobicContact CG-CG 3.82Å
24F98.4Very high97.2Very high0 Ų042.7 Ų42.70%022%0.22CC..EExtended strand (participates in β ladder)trans-124.5124.9178.7-59.3-76.3000110.4V9 V10 V11 F22 I26 I42 V73 F74 V95 I97 Y111 I139V9-F24 HydrophobicContact CG1-CB 4.18Å; V9-F24 HydrophobicContact CG1-CD1 4.01Å; V9-F24 HydrophobicContact CG1-CG 4.44Å; V10-F24 CarbonylContact O-C 3.4Å; V10-F24 WeakPolarHBondContact O-CA 3.37Å; V11-F24 HydrophobicContact CB-CD1 4.5Å; V11-F24 HydrophobicContact CB-CE1 4.5Å; V11-F24 HydrophobicContact CG1-CD1 4.49Å; V11-F24 HydrophobicContact CG1-CE1 4.2Å; V11-F24 HydrophobicContact CG2-CD1 4.05Å; V11-F24 HydrophobicContact CG2-CE1 3.9Å; F22-F24 HydrophobicContact CB-CD2 4.48Å; F22-F24 HydrophobicContact CB-CE2 3.84Å; F22-F24 HydrophobicContact CB-CZ 4.48Å; F22-F24 HydrophobicContact CD1-CE2 4.07Å; F22-F24 AromaticContact CD1-CZ 3.94Å; F22-F24 HydrophobicContact CD1-CZ 3.94Å; F22-F24 HydrophobicContact CG-CE2 4.38Å; F24-I26 HydrophobicContact CB-CG1 4.18Å; F24-I42 HydrophobicContact CD2-CD1 3.72Å; F24-I42 HydrophobicContact CD2-CG1 4.19Å; F24-I42 HydrophobicContact CE2-CD1 3.97Å; F24-I42 HydrophobicContact CE2-CG1 4.18Å; F24-I42 HydrophobicContact CE2-CG2 4.22Å; F24-V73 CarbonylContact O-C 3.57Å; F24-V73 WeakPolarHBondContact O-CA 3.38Å; F24-F74 PolarHBondContact N-O 2.86Å; F24-F74 PolarHBondContact O-N 2.88Å; F24-V95 HydrophobicContact CZ-CG1 4.13Å; F24-V95 HydrophobicContact CZ-CG2 4.43Å; F24-I97 HydrophobicContact CB-CD1 4.09Å; F24-I97 HydrophobicContact CD1-CD1 3.66Å; F24-I97 HydrophobicContact CD2-CD1 3.75Å; F24-I97 HydrophobicContact CD2-CG1 4.21Å; F24-I97 HydrophobicContact CE1-CD1 3.92Å; F24-I97 HydrophobicContact CE2-CD1 3.99Å; F24-I97 HydrophobicContact CE2-CG1 4.16Å; F24-I97 HydrophobicContact CG-CD1 3.56Å; F24-I97 HydrophobicContact CG-CG1 4.5Å; F24-I97 HydrophobicContact CZ-CD1 4.07Å; F24-I97 HydrophobicContact CZ-CG1 4.41Å; F24-Y111 HydrophobicContact CE1-CD2 4.21Å; F24-Y111 HydrophobicContact CE1-CE2 4.26Å; F24-I139 HydrophobicContact CZ-CD1 4.39Å
25E98.2Very high96.8Very high56 Ų5644.6 Ų44.626%0.26224%0.237SC..EExtended strand (participates in β ladder)trans-88.9109.4166.2-175.9-174.79000108.5V9 V10 L12 M71V9-E25 WeakPolarHBondContact CA-O 3.27Å; V10-E25 HydrophobicContact CB-CB 4.16Å; V10-E25 PolarHBondContact N-O 2.96Å; V10-E25 PolarHBondContact O-N 3.47Å; L12-E25 HydrophobicContact CD1-CB 4.28Å; L12-E25 HydrophobicContact CD2-CB 4.44Å; L12-E25 HydrophobicContact CG-CB 4.47Å; E25-M71 HydrophobicContact CG-CG 3.85Å; E25-M71 HydrophobicContact CG-SD 3.92Å
26I98Very high96.6Very high0 Ų045.1 Ų45.10%023%0.234CC..EExtended strand (participates in β ladder)trans-101.4123-176-59.1177.5000108.4V6 V9 F24 F28 W40 M71 F72 F74 I97V6-I26 HydrophobicContact CG1-CG2 4.33Å; V9-I26 HydrophobicContact CG1-CG1 4.38Å; V9-I26 HydrophobicContact CG2-CG1 4.44Å; F24-I26 HydrophobicContact CB-CG1 4.18Å; I26-F28 HydrophobicContact CG2-CD1 4.39Å; I26-W40 HydrophobicContact CD1-CE3 3.85Å; I26-W40 HydrophobicContact CD1-CZ3 3.91Å; I26-W40 HydrophobicContact CG2-CH2 3.57Å; I26-W40 HydrophobicContact CG2-CZ2 4.2Å; I26-W40 HydrophobicContact CG2-CZ3 3.8Å; I26-M71 VanDerWaalsContact O-CA 3.26Å; I26-M71 WeakPolarHBondContact O-CA 3.29Å; I26-F72 HydrophobicContact CB-CD1 4.28Å; I26-F72 HydrophobicContact CB-CE1 3.86Å; I26-F72 HydrophobicContact CB-CZ 4.22Å; I26-F72 HydrophobicContact CD1-CE1 4.38Å; I26-F72 HydrophobicContact CD1-CE2 4.46Å; I26-F72 HydrophobicContact CD1-CZ 3.89Å; I26-F72 HydrophobicContact CG2-CE1 4.01Å; I26-F72 PolarHBondContact N-O 3.45Å; I26-F72 PolarHBondContact O-N 3.41Å; I26-F74 HydrophobicContact CD1-CB 4.02Å; I26-F74 HydrophobicContact CD1-CD1 3.99Å; I26-I97 HydrophobicContact CD1-CG2 3.95Å
27T97.6Very high96.5Very high5 Ų548.3 Ų48.33%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-109.4124.1169.9-58.60000109.6N7 N8 R69 H70N7-T27 HydrophobicContact CB-CG2 4.28Å; N7-T27 PolarHBondContact N-O 3.15Å; N8-T27 PolarHBondContact N-O 3.07Å; N8-T27 VanDerWaalsContact N-O 3.13Å; N8-T27 PolarHBondContact O-N 3.26Å; T27-R69 HydrophobicContact CG2-CG 4.11Å; T27-R69 VanDerWaalsContact CG2-NE 3.25Å; T27-H70 WeakPolarHBondContact CA-O 3.38Å
28F97.4Very high96.5Very high2 Ų245 Ų451%0.00923%0.229CC..EExtended strand (participates in β ladder)trans-135.3164.6176.169.4-88.3000111.3V4 Q5 V6 I26 L38 W40 V62 V65 R69 H70 F72V4-F28 HydrophobicContact CG1-CB 4.37Å; V4-F28 HydrophobicContact CG1-CD2 3.83Å; V4-F28 HydrophobicContact CG1-CG 4.43Å; Q5-F28 CarbonylContact O-C 3.59Å; Q5-F28 VanDerWaalsContact O-CA 3.26Å; Q5-F28 WeakPolarHBondContact O-CA 3.15Å; Q5-F28 WeakPolarHBondContact O-CB 3.46Å; V6-F28 HydrophobicContact CG2-CB 4.33Å; I26-F28 HydrophobicContact CG2-CD1 4.39Å; F28-L38 HydrophobicContact CE2-CD1 4.02Å; F28-L38 HydrophobicContact CZ-CD1 4.32Å; F28-W40 AromaticContact CD1-CZ2 3.93Å; F28-W40 HydrophobicContact CD1-CZ2 3.93Å; F28-W40 HydrophobicContact CE1-CZ2 4.31Å; F28-W40 HydrophobicContact CG-CZ2 4.25Å; F28-V62 HydrophobicContact CZ-CG1 4.3Å; F28-V65 HydrophobicContact CE2-CG1 3.77Å; F28-V65 HydrophobicContact CZ-CG1 4.27Å; F28-R69 WeakPolarHBondContact O-CA 3.09Å; F28-H70 HydrophobicContact CD1-CB 4.17Å; F28-H70 HydrophobicContact CD2-CB 4.3Å; F28-H70 HydrophobicContact CE1-CB 3.65Å; F28-H70 HydrophobicContact CE2-CB 3.8Å; F28-H70 AromaticContact CE2-CD2 3.65Å; F28-H70 HydrophobicContact CG-CB 4.47Å; F28-H70 HydrophobicContact CZ-CB 3.46Å; F28-H70 VanDerWaalsContact CZ-CB 3.46Å; F28-H70 AromaticContact CZ-CG 3.96Å; F28-H70 PolarHBondContact N-O 2.79Å; F28-H70 PolarHBondContact O-N 2.81Å; F28-H70 VanDerWaalsContact O-O 3.12Å; F28-F72 HydrophobicContact CD1-CD1 4.36Å; F28-F72 HydrophobicContact CD1-CE1 4.11Å; F28-F72 AromaticContact CE1-CD1 3.85Å; F28-F72 HydrophobicContact CE1-CD1 3.85Å; F28-F72 AromaticContact CE1-CE1 3.75Å; F28-F72 HydrophobicContact CE1-CE1 3.75Å
29E96.9Very high96.5Very high85 Ų8547.3 Ų47.340%0.39724%0.24SC..EExtended strand (participates in β ladder)trans-127.7132178.7177.8173.4-170.400109.3V4 Q5 N7 G68V4-E29 CarbonylContact C-O 3.56Å; V4-E29 WeakPolarHBondContact CA-O 3.39Å; Q5-E29 PolarHBondContact N-O 3.37Å; Q5-E29 PolarHBondContact O-N 2.77Å; N7-E29 WeakPolarHBondContact ND2-CB 3.49Å; N7-E29 PolarHBondContact ND2-OE2 3.11Å; E29-G68 CarbonylContact C-O 3.56Å; E29-G68 WeakPolarHBondContact CA-O 3.46Å
30C95.8Very high96.5Very high2 Ų241.6 Ų41.61%0.01422%0.217CC..EExtended strand (participates in β ladder)trans-106.3124.1175-152.90000108.6K3 E32 V65 A67 G68K3-C30 CarbonylContact O-C 3.56Å; K3-C30 WeakPolarHBondContact O-CA 3.08Å; C30-E32 PolarHBondContact SG-O 2.97Å; C30-V65 HydrophobicContact CB-CG1 3.89Å; C30-A67 CarbonylContact O-C 3.59Å; C30-A67 WeakPolarHBondContact O-CA 3.32Å; C30-G68 PolarHBondContact N-O 2.62Å; C30-G68 PolarHBondContact O-N 2.97Å
31I94.8Very high96.5Very high95 Ų9541.6 Ų41.649%0.48722%0.215SC..SBendtrans-73.8-34.3-176.5-61.1178.5000110.9M1 A2 K3M1-I31 HydrophobicContact SD-CD1 4.3Å; A2-I31 VanDerWaalsContact O-CD1 3.29Å; A2-I31 WeakPolarHBondContact O-CD1 3.19Å; K3-I31 PolarHBondContact O-N 3.11Å
32E93.5Very high96.5Very high85 Ų8540 Ų4040%0.39721%0.205SC..SBendtrans-144.6167.7-179.360.3-179.6-127.100110.4K3 C30 L34K3-E32 HydrophobicContact CB-CG 4.32Å; K3-E32 HydrophobicContact CD-CG 3.74Å; K3-E32 WeakPolarHBondContact CD-OE1 3.44Å; K3-E32 WeakPolarHBondContact CE-OE1 3.3Å; K3-E32 HydrophobicContact CG-CG 4.07Å; K3-E32 IonicContact NZ-OE1 3.01Å; K3-E32 PolarHBondContact NZ-OE1 3.46Å; C30-E32 PolarHBondContact SG-O 2.97Å; E32-L34 PolarHBondContact O-N 3.27Å
33D93.8Very high96.5Very high114 Ų11441.2 Ų41.261%0.6121%0.211SC*.  trans-65.8129.7179.4-61.5-20.7000110.7P66 A67D33-P66 VanDerWaalsContact OD1-CA 3.26Å; D33-P66 WeakPolarHBondContact OD1-CA 3.36Å; D33-A67 PolarHBondContact OD1-N 2.82Å
34L93.9Very high96.5Very high7 Ų739 Ų394%0.03720%0.201CC..BIsolated β-bridgetrans-90.6136172.3-57.8-177.8000110.7K3 V4 E32 L38 V65 Y101 W153K3-L34 HydrophobicContact CB-CD2 3.95Å; K3-L34 HydrophobicContact CD-CD2 3.93Å; V4-L34 HydrophobicContact CG2-CD1 3.64Å; E32-L34 PolarHBondContact O-N 3.27Å; L34-L38 HydrophobicContact CD1-CD1 4.24Å; L34-L38 HydrophobicContact CD1-CD2 3.75Å; L34-L38 HydrophobicContact CD1-CG 3.91Å; L34-V65 HydrophobicContact CB-CB 4.21Å; L34-V65 HydrophobicContact CD1-CB 4.06Å; L34-V65 HydrophobicContact CD1-CG1 4.5Å; L34-V65 HydrophobicContact CD1-CG2 4.38Å; L34-V65 HydrophobicContact CG-CB 4.26Å; L34-V65 PolarHBondContact N-O 2.98Å; L34-Y101 HydrophobicContact CB-CE2 4.01Å; L34-Y101 HydrophobicContact CD1-CD2 4.17Å; L34-Y101 HydrophobicContact CD1-CE2 3.97Å; L34-Y101 HydrophobicContact CD2-CE2 4.37Å; L34-Y101 HydrophobicContact CG-CE2 4.35Å; L34-W153 HydrophobicContact CD2-CE3 4.34Å; L34-W153 HydrophobicContact CD2-CZ3 4.47Å
35S91.1Very high96.5Very high91 Ų9140 Ų4064%0.63621%0.207SC*.SBendtrans-79.4-23.8177.152.60000113.5Y101 R102S35-Y101 PolarHBondContact OG-OH 3.39Å; S35-R102 PolarHBondContact OG-NH2 2.81Å
36E93.5Very high96.4Very high77 Ų7737.4 Ų37.436%0.3620%0.195SC..SBendtrans-119166.8178.8-73.7179.8-116.200111.9Y101 R102E36-Y101 HydrophobicContact CB-CD2 4.46Å; E36-Y101 HydrophobicContact CB-CE2 3.67Å; E36-Y101 WeakPolarHBondContact O-CE2 3.44Å; E36-R102 WeakPolarHBondContact OE1-CG 3.26Å; E36-R102 IonicContact OE1-CZ 3.89Å; E36-R102 IonicContact OE1-NE 3.1Å; E36-R102 PolarHBondContact OE1-NE 3.43Å; E36-R102 IonicContact OE1-NH1 3.44Å; E36-R102 PolarHBondContact OE1-NH1 2.84Å; E36-R102 IonicContact OE1-NH2 3.62Å; E36-R102 PolarHBondContact OE1-NH2 2.82Å
37D95.7Very high96.3Very high70 Ų7037.5 Ų37.537%0.37420%0.196SC..PPolyproline II helixtrans-76146.6179.5-62.2-8.4000111.2L61 G63D37-L61 HydrophobicContact CB-CB 4.21Å; D37-L61 HydrophobicContact CB-CD2 4.39Å; D37-G63 WeakPolarHBondContact OD1-CA 3.35Å
38L97.1Very high96Very high0 Ų041.7 Ų41.70%023%0.231CC..EExtended strand (participates in β ladder)trans-81.1131162.4-64.6174.9000109V4 F28 L34 L61 V62 V65 Y101 F106V4-L38 HydrophobicContact CG1-CD1 4.22Å; V4-L38 HydrophobicContact CG2-CD1 4.06Å; V4-L38 HydrophobicContact CG2-CD2 4.14Å; F28-L38 HydrophobicContact CE2-CD1 4.02Å; F28-L38 HydrophobicContact CZ-CD1 4.32Å; L34-L38 HydrophobicContact CD1-CD1 4.24Å; L34-L38 HydrophobicContact CD1-CD2 3.75Å; L34-L38 HydrophobicContact CD1-CG 3.91Å; L38-L61 CarbonylContact O-C 3.56Å; L38-L61 WeakPolarHBondContact O-CA 3.41Å; L38-V62 HydrophobicContact CB-CB 4.45Å; L38-V62 PolarHBondContact N-O 3.19Å; L38-V62 PolarHBondContact O-N 2.91Å; L38-V65 HydrophobicContact CD1-CG2 4.02Å; L38-V65 HydrophobicContact CG-CG2 4.09Å; L38-Y101 HydrophobicContact CD2-CD2 3.86Å; L38-Y101 HydrophobicContact CD2-CG 4.21Å; L38-F106 HydrophobicContact CD2-CE1 3.85Å; L38-F106 HydrophobicContact CD2-CZ 4.11Å
39E98.1Very high95.7Very high49 Ų4950 Ų5023%0.22927%0.27CS..EExtended strand (participates in β ladder)trans-99.6120.5171.1-175.1-167.6-140.800109.2K41 S59 V60 L61 C99 T100E39-K41 HydrophobicContact CG-CG 4.49Å; E39-K41 WeakPolarHBondContact OE1-CE 3.31Å; E39-K41 IonicContact OE1-NZ 2.93Å; E39-K41 PolarHBondContact OE1-NZ 3.13Å; E39-K41 WeakPolarHBondContact OE2-CE 3.36Å; E39-K41 IonicContact OE2-NZ 2.87Å; E39-K41 PolarHBondContact OE2-NZ 3.32Å; E39-S59 PolarHBondContact OE1-OG 3.41Å; E39-V60 WeakPolarHBondContact CA-O 3.24Å; E39-L61 HydrophobicContact CB-CD2 3.72Å; E39-L61 HydrophobicContact CG-CD2 3.9Å; E39-C99 CarbonylContact O-C 3.58Å; E39-C99 VanDerWaalsContact O-CA 3.32Å; E39-C99 WeakPolarHBondContact O-CA 3.19Å; E39-T100 WeakPolarHBondContact CB-OG1 3.41Å; E39-T100 PolarHBondContact N-O 2.99Å; E39-T100 PolarHBondContact O-N 3.13Å; E39-T100 PolarHBondContact OE2-OG1 2.77Å; E39-T100 VanDerWaalsContact OE2-OG1 3.13Å
40W98.5Very high95.6Very high2 Ų247.7 Ų47.71%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-106.5133.4175.2-65.983.5000109.7V6 I26 F28 S59 V60 F72 F74 I97 T98 C99V6-W40 HydrophobicContact CG2-CH2 3.61Å; V6-W40 HydrophobicContact CG2-CZ3 4.3Å; I26-W40 HydrophobicContact CD1-CE3 3.85Å; I26-W40 HydrophobicContact CD1-CZ3 3.91Å; I26-W40 HydrophobicContact CG2-CH2 3.57Å; I26-W40 HydrophobicContact CG2-CZ2 4.2Å; I26-W40 HydrophobicContact CG2-CZ3 3.8Å; F28-W40 AromaticContact CD1-CZ2 3.93Å; F28-W40 HydrophobicContact CD1-CZ2 3.93Å; F28-W40 HydrophobicContact CE1-CZ2 4.31Å; F28-W40 HydrophobicContact CG-CZ2 4.25Å; W40-S59 CarbonylContact O-C 3.54Å; W40-S59 VanDerWaalsContact O-CA 3.3Å; W40-S59 WeakPolarHBondContact O-CA 3.38Å; W40-V60 HydrophobicContact CB-CG2 3.83Å; W40-V60 PolarHBondContact N-O 3Å; W40-V60 PolarHBondContact O-N 3.18Å; W40-F72 AromaticContact CD1-CZ 4Å; W40-F72 HydrophobicContact CD2-CE1 4.43Å; W40-F72 AromaticContact CD2-CZ 3.94Å; W40-F72 HydrophobicContact CD2-CZ 3.94Å; W40-F72 AromaticContact CG-CZ 3.92Å; W40-F72 HydrophobicContact CG-CZ 3.92Å; W40-F72 HydrophobicContact CZ2-CE1 4.32Å; W40-F74 HydrophobicContact CB-CD1 4.01Å; W40-F74 HydrophobicContact CB-CE1 3.52Å; W40-F74 HydrophobicContact CB-CZ 4.26Å; W40-F74 WeakPolarHBondContact O-CZ 3.43Å; W40-I97 HydrophobicContact CE3-CG2 3.88Å; W40-I97 HydrophobicContact CZ3-CG2 4.12Å; W40-T98 WeakPolarHBondContact CA-O 3.44Å; W40-C99 HydrophobicContact CD2-CB 3.87Å; W40-C99 HydrophobicContact CE3-CB 3.72Å; W40-C99 HydrophobicContact CH2-CB 4.01Å; W40-C99 HydrophobicContact CZ2-CB 4.12Å; W40-C99 HydrophobicContact CZ3-CB 3.79Å
41K98.6Very high95.5Very high53 Ų5355.2 Ų55.223%0.2330%0.297CS..EExtended strand (participates in β ladder)trans-126.7142.7175.4-68172.2170.1144.20111E39 I43 V56 D58 S59 I97 T98E39-K41 HydrophobicContact CG-CG 4.49Å; E39-K41 WeakPolarHBondContact OE1-CE 3.31Å; E39-K41 IonicContact OE1-NZ 2.93Å; E39-K41 PolarHBondContact OE1-NZ 3.13Å; E39-K41 WeakPolarHBondContact OE2-CE 3.36Å; E39-K41 IonicContact OE2-NZ 2.87Å; E39-K41 PolarHBondContact OE2-NZ 3.32Å; K41-I43 HydrophobicContact CB-CG1 4.22Å; K41-V56 HydrophobicContact CB-CG1 4.44Å; K41-V56 HydrophobicContact CD-CG1 4.41Å; K41-V56 HydrophobicContact CG-CG1 4.36Å; K41-D58 WeakPolarHBondContact CA-O 3.35Å; K41-S59 WeakPolarHBondContact CE-OG 3.26Å; K41-S59 WeakPolarHBondContact CG-OG 3.49Å; K41-I97 WeakPolarHBondContact O-CA 3.44Å; K41-T98 PolarHBondContact N-O 2.85Å; K41-T98 PolarHBondContact O-N 2.79Å
42I98.6Very high95.6Very high0 Ų058.9 Ų58.90%031%0.313CS..EExtended strand (participates in β ladder)trans-103.7124.2164.4-65.4163.4000107.1F24 V56 L57 D58 F74 A76 V95 L96 I97F24-I42 HydrophobicContact CD2-CD1 3.72Å; F24-I42 HydrophobicContact CD2-CG1 4.19Å; F24-I42 HydrophobicContact CE2-CD1 3.97Å; F24-I42 HydrophobicContact CE2-CG1 4.18Å; F24-I42 HydrophobicContact CE2-CG2 4.22Å; I42-V56 CarbonylContact O-C 3.59Å; I42-L57 HydrophobicContact CB-CB 4.35Å; I42-L57 HydrophobicContact CG2-CB 4.15Å; I42-L57 HydrophobicContact CG2-CD1 3.79Å; I42-L57 HydrophobicContact CG2-CG 4.16Å; I42-L57 PolarHBondContact O-N 2.87Å; I42-D58 PolarHBondContact N-O 3.23Å; I42-D58 VanDerWaalsContact N-O 3.1Å; I42-F74 HydrophobicContact CD1-CB 4.45Å; I42-F74 HydrophobicContact CD1-CD1 3.81Å; I42-F74 HydrophobicContact CD1-CD2 3.93Å; I42-F74 HydrophobicContact CD1-CE1 3.92Å; I42-F74 HydrophobicContact CD1-CE2 4.03Å; I42-F74 HydrophobicContact CD1-CG 3.8Å; I42-F74 HydrophobicContact CD1-CZ 4.03Å; I42-F74 HydrophobicContact CG1-CD1 3.88Å; I42-F74 HydrophobicContact CG1-CE1 3.65Å; I42-F74 HydrophobicContact CG1-CE2 4.49Å; I42-F74 HydrophobicContact CG1-CG 4.39Å; I42-F74 HydrophobicContact CG1-CZ 3.98Å; I42-A76 HydrophobicContact CB-CB 4.26Å; I42-A76 HydrophobicContact CD1-CB 3.66Å; I42-A76 HydrophobicContact CG2-CB 4.49Å; I42-V95 HydrophobicContact CG2-CG2 3.76Å; I42-L96 CarbonylContact C-O 3.56Å; I42-L96 WeakPolarHBondContact CA-O 3.21Å; I42-I97 HydrophobicContact CG1-CG1 4.4Å
43I98.6Very high95.8Very high26 Ų2659.5 Ų59.513%0.13331%0.312CS..EExtended strand (participates in β ladder)trans-123.7124.1-176.8-48.1173.5000108.3K41 D54 Q55 V56 V95 L96 T98K41-I43 HydrophobicContact CB-CG1 4.22Å; I43-D54 HydrophobicContact CG2-CB 3.99Å; I43-Q55 CarbonylContact C-O 3.56Å; I43-Q55 WeakPolarHBondContact CA-O 3.48Å; I43-V56 HydrophobicContact CG1-CG2 4.38Å; I43-V95 CarbonylContact O-C 3.58Å; I43-V95 WeakPolarHBondContact O-CA 3.44Å; I43-V95 WeakPolarHBondContact O-CG2 3.3Å; I43-L96 HydrophobicContact CB-CB 4.25Å; I43-L96 PolarHBondContact N-O 2.93Å; I43-L96 PolarHBondContact O-N 2.77Å; I43-T98 HydrophobicContact CD1-CG2 4.06Å
44Y98.6Very high96Very high1 Ų156.6 Ų56.60%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-97.7127.2174.2-171.4-90.6000110F22 G46 D54 Q55 P79 I84 T93 N115F22-Y44 HydrophobicContact CE2-CD2 4.22Å; F22-Y44 AromaticContact CZ-CD2 3.69Å; F22-Y44 HydrophobicContact CZ-CD2 3.69Å; F22-Y44 AromaticContact CZ-CE2 3.87Å; F22-Y44 HydrophobicContact CZ-CE2 3.87Å; Y44-G46 PolarHBondContact O-N 2.87Å; Y44-D54 CarbonylContact O-C 3.57Å; Y44-D54 WeakPolarHBondContact O-CA 3.43Å; Y44-Q55 PolarHBondContact N-O 2.84Å; Y44-Q55 PolarHBondContact O-N 2.81Å; Y44-P79 HydrophobicContact CD1-CB 3.8Å; Y44-P79 HydrophobicContact CD1-CG 3.78Å; Y44-P79 HydrophobicContact CD2-CG 3.9Å; Y44-P79 HydrophobicContact CE1-CB 4.27Å; Y44-P79 HydrophobicContact CE1-CG 3.87Å; Y44-P79 HydrophobicContact CE2-CG 3.98Å; Y44-P79 HydrophobicContact CG-CB 3.92Å; Y44-P79 HydrophobicContact CG-CG 3.77Å; Y44-I84 HydrophobicContact CD1-CD1 4.46Å; Y44-I84 HydrophobicContact CE1-CD1 3.76Å; Y44-I84 HydrophobicContact CE1-CG1 4.44Å; Y44-T93 HydrophobicContact CE1-CG2 4.06Å; Y44-T93 HydrophobicContact CE2-CG2 3.94Å; Y44-T93 VanDerWaalsContact CZ-CG2 3.5Å; Y44-T93 VanDerWaalsContact OH-CG2 3.31Å; Y44-T93 WeakPolarHBondContact OH-CG2 3.4Å; Y44-N115 PolarHBondContact OH-ND2 2.78Å
45V98.3Very high96.2Very high20 Ų2057.3 Ų57.312%0.12130%0.3CS..  trans-79.9109.8176178.60000108.5S47 D54 T93 V94 L96V45-S47 VanDerWaalsContact CG1-O 3.29Å; V45-S47 WeakPolarHBondContact CG1-O 3.34Å; V45-D54 WeakPolarHBondContact CA-OD1 3.42Å; V45-T93 PolarHBondContact O-OG1 3.26Å; V45-V94 HydrophobicContact CB-CB 4.32Å; V45-V94 WeakPolarHBondContact CB-O 3.39Å; V45-V94 HydrophobicContact CG2-CB 4Å; V45-V94 HydrophobicContact CG2-CG1 4.43Å; V45-V94 WeakPolarHBondContact CG2-O 3.39Å; V45-V94 PolarHBondContact N-O 2.84Å; V45-L96 HydrophobicContact CG2-CD1 4.42Å
46G96.9Very high96.6Very high1 Ų157.2 Ų57.21%0.0130%0.295CS..SBendtrans-73.9-31.1-178.800000113.1Y44 Y53 D88Y44-G46 PolarHBondContact O-N 2.87Å; G46-Y53 WeakPolarHBondContact CA-O 3.43Å; G46-Y53 PolarHBondContact N-O 2.81Å; G46-D88 WeakPolarHBondContact O-CB 3.37Å
47S95.3Very high96.8Very high3 Ų354.9 Ų54.92%0.02129%0.285CS..  trans-149.4140175.6-178.40000109.7V45 E49 D88V45-S47 VanDerWaalsContact CG1-O 3.29Å; V45-S47 WeakPolarHBondContact CG1-O 3.34Å; S47-E49 PolarHBondContact O-N 2.81Å; S47-E49 PolarHBondContact OG-N 2.74Å; S47-D88 WeakPolarHBondContact CB-OD2 3.34Å; S47-D88 PolarHBondContact OG-OD2 2.77Å
48A90.1Very high96.9Very high93 Ų9354.5 Ų54.577%0.76928%0.283SS*.THydrogen-bonded Turntrans-70.5-12.7174.600000112.8
49E92.6Very high97Very high177 Ų17756.9 Ų56.983%0.82730%0.3SS*.THydrogen-bonded Turntrans-86.1-23.5-176-58.6-169.2160.900113.3S47S47-E49 PolarHBondContact O-N 2.81Å; S47-E49 PolarHBondContact OG-N 2.74Å
50S93.4Very high96.9Very high35 Ų3556.5 Ų56.525%0.24530%0.3CS..  trans-155.8132.2-176.4-179.50000112.5E52 Y53S50-E52 PolarHBondContact O-N 2.73Å; S50-E52 WeakPolarHBondContact OG-CB 3.36Å; S50-E52 WeakPolarHBondContact OG-CG 3.41Å; S50-E52 PolarHBondContact OG-N 3.07Å; S50-Y53 PolarHBondContact O-N 2.82Å
51E95.1Very high96.8Very high160 Ų16061.9 Ų61.975%0.74833%0.329SS*.G310 helixtrans-66.6-12.4172.3-60.5-177.2168.300112.3Y53 D54E51-Y53 PolarHBondContact O-N 2.76Å; E51-D54 VanDerWaalsContact O-CB 3.26Å; E51-D54 WeakPolarHBondContact O-CB 3.26Å; E51-D54 PolarHBondContact O-N 3.1Å
52E96.8Very high96.7Very high173 Ų17361.2 Ų61.281%0.80833%0.329SS*.G310 helixtrans-63.6-20.4176-64.3177167.100112.8S50S50-E52 PolarHBondContact O-N 2.73Å; S50-E52 WeakPolarHBondContact OG-CB 3.36Å; S50-E52 WeakPolarHBondContact OG-CG 3.41Å; S50-E52 PolarHBondContact OG-N 3.07Å
53Y97.2Very high96.3Very high97 Ų9762.9 Ų62.938%0.3835%0.346SS..G310 helixtrans-93.31.2175.8-58.6-76.8000112.9G46 S50 E51 Q55 L83 P85G46-Y53 WeakPolarHBondContact CA-O 3.43Å; G46-Y53 PolarHBondContact N-O 2.81Å; S50-Y53 PolarHBondContact O-N 2.82Å; E51-Y53 PolarHBondContact O-N 2.76Å; Y53-Q55 PolarHBondContact O-N 2.87Å; Y53-L83 WeakPolarHBondContact CD1-O 3.32Å; Y53-P85 HydrophobicContact CD1-CG 3.89Å; Y53-P85 HydrophobicContact CD2-CG 4.29Å; Y53-P85 HydrophobicContact CE1-CG 3.74Å; Y53-P85 HydrophobicContact CE2-CG 4.16Å; Y53-P85 HydrophobicContact CG-CG 4.15Å
54D98Very high95.7Very high53 Ų5366.8 Ų66.828%0.28337%0.373SS..  trans-67.4130.2177.3-73.94.9000110.2I43 Y44 V45 E51I43-D54 HydrophobicContact CG2-CB 3.99Å; Y44-D54 CarbonylContact O-C 3.57Å; Y44-D54 WeakPolarHBondContact O-CA 3.43Å; V45-D54 WeakPolarHBondContact CA-OD1 3.42Å; E51-D54 VanDerWaalsContact O-CB 3.26Å; E51-D54 WeakPolarHBondContact O-CB 3.26Å; E51-D54 PolarHBondContact O-N 3.1Å
55Q98.5Very high95.4Very high23 Ų2366.9 Ų66.911%0.10737%0.374CS..EExtended strand (participates in β ladder)trans-113.2114.7-179.3-60.3-17549.700109.3I43 Y44 Y53 L57 N80I43-Q55 CarbonylContact C-O 3.56Å; I43-Q55 WeakPolarHBondContact CA-O 3.48Å; Y44-Q55 PolarHBondContact N-O 2.84Å; Y44-Q55 PolarHBondContact O-N 2.81Å; Y53-Q55 PolarHBondContact O-N 2.87Å; Q55-L57 HydrophobicContact CB-CD2 4.1Å; Q55-L57 PolarHBondContact O-N 2.8Å; Q55-L57 VanDerWaalsContact O-N 3.16Å; Q55-N80 PolarHBondContact NE2-O 3.16Å; Q55-N80 VanDerWaalsContact NE2-O 3.09Å
56V98.5Very high95.3Very high88 Ų8869.1 Ų69.153%0.53339%0.389SS..EExtended strand (participates in β ladder)trans-71.5107.2166.9-176.40000107.4K41 I42 I43K41-V56 HydrophobicContact CB-CG1 4.44Å; K41-V56 HydrophobicContact CD-CG1 4.41Å; K41-V56 HydrophobicContact CG-CG1 4.36Å; I42-V56 CarbonylContact O-C 3.59Å; I43-V56 HydrophobicContact CG1-CG2 4.38Å
57L98.5Very high95.2Very high29 Ų2971.5 Ų71.515%0.15241%0.409CS..EExtended strand (participates in β ladder)trans-75.6-40.7-176.7-55.8-170.9000111.6F22 I42 Q55 A76 D77 P79F22-L57 HydrophobicContact CD2-CD1 3.42Å; F22-L57 VanDerWaalsContact CD2-CD1 3.42Å; F22-L57 HydrophobicContact CE2-CD1 3.54Å; F22-L57 HydrophobicContact CG-CD1 4.19Å; F22-L57 HydrophobicContact CZ-CD1 4.36Å; I42-L57 HydrophobicContact CB-CB 4.35Å; I42-L57 HydrophobicContact CG2-CB 4.15Å; I42-L57 HydrophobicContact CG2-CD1 3.79Å; I42-L57 HydrophobicContact CG2-CG 4.16Å; I42-L57 PolarHBondContact O-N 2.87Å; Q55-L57 HydrophobicContact CB-CD2 4.1Å; Q55-L57 PolarHBondContact O-N 2.8Å; Q55-L57 VanDerWaalsContact O-N 3.16Å; L57-A76 HydrophobicContact CB-CB 3.68Å; L57-D77 WeakPolarHBondContact CD1-O 3.17Å; L57-P79 HydrophobicContact CD2-CB 3.83Å
58D98.1Very high95.3Very high62 Ų6272.9 Ų72.933%0.33242%0.423SS..EExtended strand (participates in β ladder)trans-156.9159.4173.5-163.111.7000110.9K41 I42 F74 A76K41-D58 WeakPolarHBondContact CA-O 3.35Å; I42-D58 PolarHBondContact N-O 3.23Å; I42-D58 VanDerWaalsContact N-O 3.1Å; D58-F74 HydrophobicContact CB-CE2 3.93Å; D58-F74 HydrophobicContact CB-CZ 4.29Å; D58-A76 HydrophobicContact CB-CB 3.51Å
59S98Very high95.6Very high50 Ų5077.1 Ų77.135%0.3542%0.419SS..EExtended strand (participates in β ladder)trans-140.3114.8177.1-171.80000110E39 W40 K41E39-S59 PolarHBondContact OE1-OG 3.41Å; W40-S59 CarbonylContact O-C 3.54Å; W40-S59 VanDerWaalsContact O-CA 3.3Å; W40-S59 WeakPolarHBondContact O-CA 3.38Å; K41-S59 WeakPolarHBondContact CE-OG 3.26Å; K41-S59 WeakPolarHBondContact CG-OG 3.49Å
60V97.3Very high95.8Very high41 Ų4171.2 Ų71.225%0.24839%0.391CS..EExtended strand (participates in β ladder)trans-119140.2-178.6-60.90000111.5E39 W40 F72 F74E39-V60 WeakPolarHBondContact CA-O 3.24Å; W40-V60 HydrophobicContact CB-CG2 3.83Å; W40-V60 PolarHBondContact N-O 3Å; W40-V60 PolarHBondContact O-N 3.18Å; V60-F72 HydrophobicContact CG2-CE2 4.31Å; V60-F74 HydrophobicContact CB-CE2 4.09Å; V60-F74 HydrophobicContact CB-CZ 4.33Å; V60-F74 HydrophobicContact CG1-CD2 4.11Å; V60-F74 HydrophobicContact CG1-CE2 3.48Å; V60-F74 VanDerWaalsContact CG1-CE2 3.48Å; V60-F74 HydrophobicContact CG1-CZ 4.11Å; V60-F74 HydrophobicContact CG2-CD1 4.28Å; V60-F74 HydrophobicContact CG2-CD2 3.89Å; V60-F74 HydrophobicContact CG2-CE1 3.95Å; V60-F74 HydrophobicContact CG2-CE2 3.52Å; V60-F74 HydrophobicContact CG2-CG 4.28Å; V60-F74 HydrophobicContact CG2-CZ 3.56Å
61L96.9Very high96Very high115 Ų11575.1 Ų75.160%0.60241%0.407SS*.EExtended strand (participates in β ladder)trans-95.8133.6172.6-62.9177.4000109.6D37 L38 E39D37-L61 HydrophobicContact CB-CB 4.21Å; D37-L61 HydrophobicContact CB-CD2 4.39Å; L38-L61 CarbonylContact O-C 3.56Å; L38-L61 WeakPolarHBondContact O-CA 3.41Å; E39-L61 HydrophobicContact CB-CD2 3.72Å; E39-L61 HydrophobicContact CG-CD2 3.9Å
62V94.7Very high96Very high38 Ų3869.5 Ų69.523%0.2338%0.38CS..EExtended strand (participates in β ladder)trans-124.1103177.1-178.60000107.5F28 L38 V65 F72F28-V62 HydrophobicContact CZ-CG1 4.3Å; L38-V62 HydrophobicContact CB-CB 4.45Å; L38-V62 PolarHBondContact N-O 3.19Å; L38-V62 PolarHBondContact O-N 2.91Å; V62-V65 HydrophobicContact CG1-CG2 4.24Å; V62-V65 WeakPolarHBondContact O-CG2 3.33Å; V62-F72 HydrophobicContact CG2-CE2 4.5Å; V62-F72 HydrophobicContact CG2-CZ 4.3Å
63G90.2Very high96.1Very high35 Ų3565 Ų6536%0.36137%0.365SS..  trans-175.4172.8170.300000114.2D37D37-G63 WeakPolarHBondContact OD1-CA 3.35Å
64P86.8Confident96.1Very high108 Ų10860.7 Ų60.770%0.70135%0.348SS*.SBendcis-64.3148.1-729.1-35.3000111.5P66P64-P66 VanDerWaalsContact O-CD 3.3Å; P64-P66 WeakPolarHBondContact O-CD 3.35Å
65V93.1Very high96.1Very high4 Ų462.8 Ų62.82%0.02436%0.356CS..BIsolated β-bridgetrans-105.9101.6-174.5-174.70000109.7F28 C30 L34 L38 V62F28-V65 HydrophobicContact CE2-CG1 3.77Å; F28-V65 HydrophobicContact CZ-CG1 4.27Å; C30-V65 HydrophobicContact CB-CG1 3.89Å; L34-V65 HydrophobicContact CB-CB 4.21Å; L34-V65 HydrophobicContact CD1-CB 4.06Å; L34-V65 HydrophobicContact CD1-CG1 4.5Å; L34-V65 HydrophobicContact CD1-CG2 4.38Å; L34-V65 HydrophobicContact CG-CB 4.26Å; L34-V65 PolarHBondContact N-O 2.98Å; L38-V65 HydrophobicContact CD1-CG2 4.02Å; L38-V65 HydrophobicContact CG-CG2 4.09Å; V62-V65 HydrophobicContact CG1-CG2 4.24Å; V62-V65 WeakPolarHBondContact O-CG2 3.33Å
66P94.5Very high96.1Very high67 Ų6761.8 Ų61.844%0.43535%0.352SS..  trans-71160.5176.829.6-33.7000111.2D33 P64 H70D33-P66 VanDerWaalsContact OD1-CA 3.26Å; D33-P66 WeakPolarHBondContact OD1-CA 3.36Å; P64-P66 VanDerWaalsContact O-CD 3.3Å; P64-P66 WeakPolarHBondContact O-CD 3.35Å; P66-H70 PolarHBondContact O-NE2 2.94Å
67A96.1Very high96.1Very high51 Ų5163.3 Ų63.342%0.42136%0.357SS..SBendtrans-57.4143.3172.400000111.2C30 D33C30-A67 CarbonylContact O-C 3.59Å; C30-A67 WeakPolarHBondContact O-CA 3.32Å; D33-A67 PolarHBondContact OD1-N 2.82Å
68G96.6Very high96.1Very high31 Ų3163 Ų6332%0.3236%0.358SS..EExtended strand (participates in β ladder)trans123.8-170.4179.500000113.5E29 C30E29-G68 CarbonylContact C-O 3.56Å; E29-G68 WeakPolarHBondContact CA-O 3.46Å; C30-G68 PolarHBondContact N-O 2.62Å; C30-G68 PolarHBondContact O-N 2.97Å
69R97Very high96.1Very high182 Ų18260.1 Ų60.169%0.68734%0.343SS*.EExtended strand (participates in β ladder)trans-97.7129.2-177.4-177.2176.3174.7175.6-2.3110.6T27 F28T27-R69 HydrophobicContact CG2-CG 4.11Å; T27-R69 VanDerWaalsContact CG2-NE 3.25Å; F28-R69 WeakPolarHBondContact O-CA 3.09Å
70H96.8Very high96.1Very high53 Ų5361.9 Ų61.925%0.24535%0.349CS..EExtended strand (participates in β ladder)trans-121.9153.2-178.2-60.8-65.5000110.9T27 F28 P66T27-H70 WeakPolarHBondContact CA-O 3.38Å; F28-H70 HydrophobicContact CD1-CB 4.17Å; F28-H70 HydrophobicContact CD2-CB 4.3Å; F28-H70 HydrophobicContact CE1-CB 3.65Å; F28-H70 HydrophobicContact CE2-CB 3.8Å; F28-H70 AromaticContact CE2-CD2 3.65Å; F28-H70 HydrophobicContact CG-CB 4.47Å; F28-H70 HydrophobicContact CZ-CB 3.46Å; F28-H70 VanDerWaalsContact CZ-CB 3.46Å; F28-H70 AromaticContact CZ-CG 3.96Å; F28-H70 PolarHBondContact N-O 2.79Å; F28-H70 PolarHBondContact O-N 2.81Å; F28-H70 VanDerWaalsContact O-O 3.12Å; P66-H70 PolarHBondContact O-NE2 2.94Å
71M96.7Very high96.1Very high117 Ų11761.2 Ų61.258%0.57635%0.345SS*.EExtended strand (participates in β ladder)trans-146135.3176.1-175.1-170.179.600109.5E25 I26E25-M71 HydrophobicContact CG-CG 3.85Å; E25-M71 HydrophobicContact CG-SD 3.92Å; I26-M71 VanDerWaalsContact O-CA 3.26Å; I26-M71 WeakPolarHBondContact O-CA 3.29Å
72F96.9Very high96.1Very high43 Ų4359 Ų5919%0.18935%0.35CS..EExtended strand (participates in β ladder)trans-147.2159.4173.172.4-76.4000110.9I26 F28 W40 V60 V62 F74I26-F72 HydrophobicContact CB-CD1 4.28Å; I26-F72 HydrophobicContact CB-CE1 3.86Å; I26-F72 HydrophobicContact CB-CZ 4.22Å; I26-F72 HydrophobicContact CD1-CE1 4.38Å; I26-F72 HydrophobicContact CD1-CE2 4.46Å; I26-F72 HydrophobicContact CD1-CZ 3.89Å; I26-F72 HydrophobicContact CG2-CE1 4.01Å; I26-F72 PolarHBondContact N-O 3.45Å; I26-F72 PolarHBondContact O-N 3.41Å; F28-F72 HydrophobicContact CD1-CD1 4.36Å; F28-F72 HydrophobicContact CD1-CE1 4.11Å; F28-F72 AromaticContact CE1-CD1 3.85Å; F28-F72 HydrophobicContact CE1-CD1 3.85Å; F28-F72 AromaticContact CE1-CE1 3.75Å; F28-F72 HydrophobicContact CE1-CE1 3.75Å; W40-F72 AromaticContact CD1-CZ 4Å; W40-F72 HydrophobicContact CD2-CE1 4.43Å; W40-F72 AromaticContact CD2-CZ 3.94Å; W40-F72 HydrophobicContact CD2-CZ 3.94Å; W40-F72 AromaticContact CG-CZ 3.92Å; W40-F72 HydrophobicContact CG-CZ 3.92Å; W40-F72 HydrophobicContact CZ2-CE1 4.32Å; V60-F72 HydrophobicContact CG2-CE2 4.31Å; V62-F72 HydrophobicContact CG2-CE2 4.5Å; V62-F72 HydrophobicContact CG2-CZ 4.3Å; F72-F74 HydrophobicContact CD2-CB 4.17Å; F72-F74 HydrophobicContact CE2-CB 3.61Å; F72-F74 HydrophobicContact CE2-CD1 4.25Å; F72-F74 AromaticContact CE2-CG 3.95Å; F72-F74 HydrophobicContact CE2-CG 3.95Å; F72-F74 HydrophobicContact CZ-CB 4.39Å
73V97.6Very high96.2Very high79 Ų7961.7 Ų61.748%0.47936%0.363SS..EExtended strand (participates in β ladder)trans-96.3120.8171.9179.10000108L12 F24L12-V73 HydrophobicContact CD1-CG1 4.22Å; L12-V73 HydrophobicContact CD1-CG2 4.49Å; F24-V73 CarbonylContact O-C 3.57Å; F24-V73 WeakPolarHBondContact O-CA 3.38Å
74F97.7Very high96.5Very high5 Ų560.4 Ų60.42%0.02235%0.347CS..EExtended strand (participates in β ladder)trans-103.4110.8174.9-163.7-176.4000108.9F24 I26 W40 I42 D58 V60 F72F24-F74 PolarHBondContact N-O 2.86Å; F24-F74 PolarHBondContact O-N 2.88Å; I26-F74 HydrophobicContact CD1-CB 4.02Å; I26-F74 HydrophobicContact CD1-CD1 3.99Å; W40-F74 HydrophobicContact CB-CD1 4.01Å; W40-F74 HydrophobicContact CB-CE1 3.52Å; W40-F74 HydrophobicContact CB-CZ 4.26Å; W40-F74 WeakPolarHBondContact O-CZ 3.43Å; I42-F74 HydrophobicContact CD1-CB 4.45Å; I42-F74 HydrophobicContact CD1-CD1 3.81Å; I42-F74 HydrophobicContact CD1-CD2 3.93Å; I42-F74 HydrophobicContact CD1-CE1 3.92Å; I42-F74 HydrophobicContact CD1-CE2 4.03Å; I42-F74 HydrophobicContact CD1-CG 3.8Å; I42-F74 HydrophobicContact CD1-CZ 4.03Å; I42-F74 HydrophobicContact CG1-CD1 3.88Å; I42-F74 HydrophobicContact CG1-CE1 3.65Å; I42-F74 HydrophobicContact CG1-CE2 4.49Å; I42-F74 HydrophobicContact CG1-CG 4.39Å; I42-F74 HydrophobicContact CG1-CZ 3.98Å; D58-F74 HydrophobicContact CB-CE2 3.93Å; D58-F74 HydrophobicContact CB-CZ 4.29Å; V60-F74 HydrophobicContact CB-CE2 4.09Å; V60-F74 HydrophobicContact CB-CZ 4.33Å; V60-F74 HydrophobicContact CG1-CD2 4.11Å; V60-F74 HydrophobicContact CG1-CE2 3.48Å; V60-F74 VanDerWaalsContact CG1-CE2 3.48Å; V60-F74 HydrophobicContact CG1-CZ 4.11Å; V60-F74 HydrophobicContact CG2-CD1 4.28Å; V60-F74 HydrophobicContact CG2-CD2 3.89Å; V60-F74 HydrophobicContact CG2-CE1 3.95Å; V60-F74 HydrophobicContact CG2-CE2 3.52Å; V60-F74 HydrophobicContact CG2-CG 4.28Å; V60-F74 HydrophobicContact CG2-CZ 3.56Å; F72-F74 HydrophobicContact CD2-CB 4.17Å; F72-F74 HydrophobicContact CE2-CB 3.61Å; F72-F74 HydrophobicContact CE2-CD1 4.25Å; F72-F74 AromaticContact CE2-CG 3.95Å; F72-F74 HydrophobicContact CE2-CG 3.95Å; F72-F74 HydrophobicContact CZ-CB 4.39Å
75Q98.1Very high97Very high97 Ų9756.8 Ų56.845%0.45332%0.324SS..EExtended strand (participates in β ladder)trans-114.3134.3179.6179.7177.4-38.600110.2P21 F22 Q23P21-Q75 HydrophobicContact CB-CG 3.67Å; F22-Q75 CarbonylContact O-C 3.58Å; F22-Q75 WeakPolarHBondContact O-CA 3.32Å; F22-Q75 WeakPolarHBondContact O-CG 3.26Å; Q23-Q75 HydrophobicContact CG-CB 4.21Å; Q23-Q75 HydrophobicContact CG-CG 3.82Å
76A98.3Very high97.1Very high3 Ų360.7 Ų60.73%0.02535%0.345CS..EExtended strand (participates in β ladder)trans-135147.1176.200000111P21 F22 I42 L57 D58P21-A76 CarbonylContact C-O 3.57Å; P21-A76 WeakPolarHBondContact CA-O 3.38Å; P21-A76 VanDerWaalsContact CB-O 3.29Å; P21-A76 WeakPolarHBondContact CB-O 3.29Å; F22-A76 PolarHBondContact N-O 3.31Å; F22-A76 PolarHBondContact O-N 3.05Å; I42-A76 HydrophobicContact CB-CB 4.26Å; I42-A76 HydrophobicContact CD1-CB 3.66Å; I42-A76 HydrophobicContact CG2-CB 4.49Å; L57-A76 HydrophobicContact CB-CB 3.68Å; D58-A76 HydrophobicContact CB-CB 3.51Å
77D98.5Very high97.2Very high119 Ų11962 Ų6264%0.63636%0.361SS*.PPolyproline II helixtrans-62.9159.5176.2-71.3-29.8000111.7L57L57-D77 WeakPolarHBondContact CD1-O 3.17Å
78A98.4Very high97.2Very high22 Ų2261.6 Ų61.618%0.18235%0.352CS..PPolyproline II helixtrans-64.2152.3176.300000111.7F18F18-A78 VanDerWaalsContact O-CB 3.27Å; F18-A78 WeakPolarHBondContact O-CB 3.43Å
79P98.3Very high97.1Very high3 Ų360.1 Ų60.12%0.01934%0.337CS..PPolyproline II helixtrans-58.7152.5173.926.4-37.1000111.4F18 Y44 L57 P81 I84F18-P79 HydrophobicContact CE1-CG 4.13Å; F18-P79 HydrophobicContact CE2-CG 4.32Å; F18-P79 HydrophobicContact CZ-CG 3.6Å; Y44-P79 HydrophobicContact CD1-CB 3.8Å; Y44-P79 HydrophobicContact CD1-CG 3.78Å; Y44-P79 HydrophobicContact CD2-CG 3.9Å; Y44-P79 HydrophobicContact CE1-CB 4.27Å; Y44-P79 HydrophobicContact CE1-CG 3.87Å; Y44-P79 HydrophobicContact CE2-CG 3.98Å; Y44-P79 HydrophobicContact CG-CB 3.92Å; Y44-P79 HydrophobicContact CG-CG 3.77Å; L57-P79 HydrophobicContact CD2-CB 3.83Å; P79-P81 WeakPolarHBondContact O-CD 3.5Å; P79-I84 HydrophobicContact CB-CD1 4.25Å; P79-I84 HydrophobicContact CG-CD1 4.18Å
80N97.9Very high97.1Very high87 Ų8754.1 Ų54.147%0.46532%0.32SS..  trans-68.9115.2171.6-178.7-2.3000109.7Q55 G82 L83Q55-N80 PolarHBondContact NE2-O 3.16Å; Q55-N80 VanDerWaalsContact NE2-O 3.09Å; N80-G82 PolarHBondContact O-N 2.79Å; N80-G82 PolarHBondContact OD1-N 3.37Å; N80-L83 HydrophobicContact CB-CD1 4.15Å; N80-L83 HydrophobicContact CB-CG 4.24Å; N80-L83 PolarHBondContact O-N 3.43Å
81P97.5Very high97.1Very high26 Ų2652.7 Ų52.717%0.16932%0.32CS..G310 helixtrans-60.3-29.7179.3-21.531.6000114F18 Y19 P79 L83 I84 F132F18-P81 HydrophobicContact CE1-CG 4Å; Y19-P81 HydrophobicContact CE1-CG 3.56Å; P79-P81 WeakPolarHBondContact O-CD 3.5Å; P81-L83 PolarHBondContact O-N 2.84Å; P81-I84 PolarHBondContact O-N 3.1Å; P81-I84 VanDerWaalsContact O-N 3.16Å; P81-F132 HydrophobicContact CB-CB 4.37Å; P81-F132 HydrophobicContact CB-CD1 3.86Å; P81-F132 HydrophobicContact CB-CD2 3.53Å; P81-F132 HydrophobicContact CB-CE1 3.91Å; P81-F132 HydrophobicContact CB-CE2 3.58Å; P81-F132 HydrophobicContact CB-CG 3.66Å; P81-F132 HydrophobicContact CB-CZ 3.75Å; P81-F132 HydrophobicContact CG-CB 4.28Å; P81-F132 HydrophobicContact CG-CD1 4.22Å; P81-F132 HydrophobicContact CG-CD2 4.34Å; P81-F132 HydrophobicContact CG-CG 4.04Å
82G96.6Very high97.1Very high69 Ų6951.6 Ų51.671%0.71132%0.319SS*.G310 helixtrans-70.1-10.4-177.900000114.4N80N80-G82 PolarHBondContact O-N 2.79Å; N80-G82 PolarHBondContact OD1-N 3.37Å
83L96.6Very high97.1Very high94 Ų9450 Ų5049%0.49231%0.314SS..G310 helixtrans-103.1-1.3176.3-58.6179.3000112.5Y53 N80 P81Y53-L83 WeakPolarHBondContact CD1-O 3.32Å; N80-L83 HydrophobicContact CB-CD1 4.15Å; N80-L83 HydrophobicContact CB-CG 4.24Å; N80-L83 PolarHBondContact O-N 3.43Å; P81-L83 PolarHBondContact O-N 2.84Å
84I97.7Very high97.1Very high8 Ų848 Ų484%0.04130%0.301CS..SBendtrans-96.2125.4178.5-61.7172.7000107.8F18 Y44 P79 P81 D86 D88 A89 F132F18-I84 HydrophobicContact CE2-CD1 4.39Å; F18-I84 HydrophobicContact CZ-CD1 3.77Å; Y44-I84 HydrophobicContact CD1-CD1 4.46Å; Y44-I84 HydrophobicContact CE1-CD1 3.76Å; Y44-I84 HydrophobicContact CE1-CG1 4.44Å; P79-I84 HydrophobicContact CB-CD1 4.25Å; P79-I84 HydrophobicContact CG-CD1 4.18Å; P81-I84 PolarHBondContact O-N 3.1Å; P81-I84 VanDerWaalsContact O-N 3.16Å; I84-D86 PolarHBondContact O-N 3.22Å; I84-D88 HydrophobicContact CG2-CB 4.48Å; I84-A89 HydrophobicContact CG2-CB 4.18Å; I84-F132 HydrophobicContact CB-CZ 4.25Å; I84-F132 HydrophobicContact CD1-CE1 3.98Å; I84-F132 HydrophobicContact CD1-CZ 4.44Å; I84-F132 HydrophobicContact CG2-CZ 4.4Å
85P96.9Very high97.1Very high33 Ų3347.8 Ų47.821%0.21430%0.3CS..  trans-56.6136.7172.3-26.136.5000111.6Y53 A87 D88 A89Y53-P85 HydrophobicContact CD1-CG 3.89Å; Y53-P85 HydrophobicContact CD2-CG 4.29Å; Y53-P85 HydrophobicContact CE1-CG 3.74Å; Y53-P85 HydrophobicContact CE2-CG 4.16Å; Y53-P85 HydrophobicContact CG-CG 4.15Å; P85-A87 PolarHBondContact O-N 3.32Å; P85-D88 PolarHBondContact O-N 2.82Å; P85-A89 PolarHBondContact O-N 2.81Å
86D95.6Very high97.1Very high86 Ų8644.3 Ų44.346%0.4629%0.285SS..THydrogen-bonded Turntrans-55-31.2-176.4-75.7-7.2000112.8I84 D88 P130I84-D86 PolarHBondContact O-N 3.22Å; D86-D88 VanDerWaalsContact C-N 3.35Å; D86-P130 HydrophobicContact CB-CG 4.07Å; D86-P130 VanDerWaalsContact O-CG 3.31Å; D86-P130 WeakPolarHBondContact O-CG 3.32Å
87A94.9Very high97.1Very high93 Ų9344.2 Ų44.277%0.76928%0.284SS*.THydrogen-bonded Turntrans-70.5-26.4178.200000114P85P85-A87 PolarHBondContact O-N 3.32Å
88D96.1Very high97.1Very high44 Ų4438.7 Ų38.724%0.23525%0.254CS..THydrogen-bonded Turntrans-99.9-8.6-177.6-67.1-59.3000112.8G46 S47 I84 P85 D86 V90G46-D88 WeakPolarHBondContact O-CB 3.37Å; S47-D88 WeakPolarHBondContact CB-OD2 3.34Å; S47-D88 PolarHBondContact OG-OD2 2.77Å; I84-D88 HydrophobicContact CG2-CB 4.48Å; P85-D88 PolarHBondContact O-N 2.82Å; D86-D88 VanDerWaalsContact C-N 3.35Å; D88-V90 VanDerWaalsContact C-N 3.35Å; D88-V90 PolarHBondContact O-N 2.97Å
89A95.7Very high97.1Very high0 Ų037.6 Ų37.60%025%0.246CC..SBendtrans-62.8-39.5-178.400000113.1I84 P85 N115 P130 F132I84-A89 HydrophobicContact CG2-CB 4.18Å; P85-A89 PolarHBondContact O-N 2.81Å; A89-N115 WeakPolarHBondContact O-CB 3.5Å; A89-N115 PolarHBondContact O-ND2 3.45Å; A89-P130 HydrophobicContact CB-CB 3.64Å; A89-P130 HydrophobicContact CB-CG 3.55Å; A89-F132 HydrophobicContact CB-CE1 3.88Å; A89-F132 HydrophobicContact CB-CE2 4.2Å; A89-F132 HydrophobicContact CB-CZ 3.46Å; A89-F132 VanDerWaalsContact CB-CZ 3.46Å
90V96.4Very high97.1Very high55 Ų5538.2 Ų38.233%0.33325%0.249SC..SBendtrans-110.3127.7-179-171.80000109.4D88 Y117 P130 L135D88-V90 VanDerWaalsContact C-N 3.35Å; D88-V90 PolarHBondContact O-N 2.97Å; V90-Y117 HydrophobicContact CG1-CD2 4.46Å; V90-Y117 HydrophobicContact CG1-CE2 4.33Å; V90-Y117 HydrophobicContact CG2-CE2 3.81Å; V90-P130 HydrophobicContact CG2-CB 4.35Å; V90-L135 HydrophobicContact CG2-CD1 4.4Å; V90-L135 HydrophobicContact CG2-CD2 4.02Å
91G95.8Very high97.1Very high24 Ų2434.2 Ų34.225%0.24723%0.228CC..EExtended strand (participates in β ladder)trans119.1-152-176.300000112.1N114 N115G91-N114 CarbonylContact O-C 3.58Å; G91-N114 WeakPolarHBondContact O-CA 3.39Å; G91-N114 PolarHBondContact O-OD1 3.07Å; G91-N115 PolarHBondContact N-O 3.16Å; G91-N115 PolarHBondContact O-N 3Å
92V96.9Very high96.9Very high93 Ų9335.5 Ų35.556%0.56423%0.229SC*.EExtended strand (participates in β ladder)trans-98.5126.4-171.1-1790000110.8Y112 V113 N114V92-Y112 HydrophobicContact CG1-CD1 3.73Å; V92-Y112 HydrophobicContact CG1-CG 4.33Å; V92-V113 CarbonylContact C-O 3.5Å; V92-V113 VanDerWaalsContact CA-O 3.31Å; V92-V113 WeakPolarHBondContact CA-O 3.45Å; V92-N114 HydrophobicContact CG2-CB 4.44Å
93T97.5Very high96.8Very high11 Ų1135.7 Ų35.77%0.06723%0.231CC..EExtended strand (participates in β ladder)trans-129.1-167.6166.5-169.80000110.5Y44 V45 Y112 V113Y44-T93 HydrophobicContact CE1-CG2 4.06Å; Y44-T93 HydrophobicContact CE2-CG2 3.94Å; Y44-T93 VanDerWaalsContact CZ-CG2 3.5Å; Y44-T93 VanDerWaalsContact OH-CG2 3.31Å; Y44-T93 WeakPolarHBondContact OH-CG2 3.4Å; V45-T93 PolarHBondContact O-OG1 3.26Å; T93-Y112 CarbonylContact O-C 3.58Å; T93-Y112 WeakPolarHBondContact O-CA 3.31Å; T93-V113 HydrophobicContact CG2-CB 4.06Å; T93-V113 PolarHBondContact N-O 2.98Å; T93-V113 PolarHBondContact O-N 2.63Å
94V97.9Very high96.8Very high37 Ų3734.6 Ų34.622%0.22422%0.224CC..EExtended strand (participates in β ladder)trans-128.7141.5-177.9178.20000110.4V45 L96 Y111 Y112V45-V94 HydrophobicContact CB-CB 4.32Å; V45-V94 WeakPolarHBondContact CB-O 3.39Å; V45-V94 HydrophobicContact CG2-CB 4Å; V45-V94 HydrophobicContact CG2-CG1 4.43Å; V45-V94 WeakPolarHBondContact CG2-O 3.39Å; V45-V94 PolarHBondContact N-O 2.84Å; V94-L96 HydrophobicContact CG1-CD2 3.52Å; V94-L96 HydrophobicContact CG1-CG 4.07Å; V94-Y111 CarbonylContact C-O 3.54Å; V94-Y111 VanDerWaalsContact CA-O 3.28Å; V94-Y111 WeakPolarHBondContact CA-O 3.35Å; V94-Y112 HydrophobicContact CG2-CD1 3.83Å; V94-Y112 HydrophobicContact CG2-CE1 3.98Å
95V98.4Very high96.8Very high0 Ų036.5 Ų36.50%023%0.232CC..EExtended strand (participates in β ladder)trans-113.8135.8162.266.10000108.7F22 F24 I42 I43 G110 Y111 V113F22-V95 HydrophobicContact CD1-CG2 4.11Å; F22-V95 HydrophobicContact CE1-CB 4.05Å; F22-V95 HydrophobicContact CE1-CG1 4.09Å; F22-V95 HydrophobicContact CE1-CG2 3.9Å; F22-V95 HydrophobicContact CZ-CG2 4.47Å; F24-V95 HydrophobicContact CZ-CG1 4.13Å; F24-V95 HydrophobicContact CZ-CG2 4.43Å; I42-V95 HydrophobicContact CG2-CG2 3.76Å; I43-V95 CarbonylContact O-C 3.58Å; I43-V95 WeakPolarHBondContact O-CA 3.44Å; I43-V95 WeakPolarHBondContact O-CG2 3.3Å; V95-G110 CarbonylContact O-C 3.54Å; V95-G110 WeakPolarHBondContact O-CA 3.44Å; V95-Y111 PolarHBondContact N-O 3.28Å; V95-Y111 PolarHBondContact O-N 2.91Å; V95-V113 HydrophobicContact CB-CG2 3.85Å; V95-V113 HydrophobicContact CG1-CG2 3.53Å
96L98.3Very high96.9Very high23 Ų2335.2 Ų35.212%0.1222%0.224CC..EExtended strand (participates in β ladder)trans-114.3139-178.6-54.8174.1000109.7I42 I43 V45 V94 R108 V109I42-L96 CarbonylContact C-O 3.56Å; I42-L96 WeakPolarHBondContact CA-O 3.21Å; I43-L96 HydrophobicContact CB-CB 4.25Å; I43-L96 PolarHBondContact N-O 2.93Å; I43-L96 PolarHBondContact O-N 2.77Å; V45-L96 HydrophobicContact CG2-CD1 4.42Å; V94-L96 HydrophobicContact CG1-CD2 3.52Å; V94-L96 HydrophobicContact CG1-CG 4.07Å; L96-R108 HydrophobicContact CD2-CG 4.21Å; L96-V109 CarbonylContact C-O 3.58Å; L96-V109 WeakPolarHBondContact CA-O 3.45Å
97I98.5Very high97Very high1 Ų131.3 Ų31.31%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-111.9115.2165.1-56.2166.1000106.4V9 F24 I26 W40 K41 I42 R108 V109 Y111V9-I97 HydrophobicContact CG1-CD1 3.77Å; F24-I97 HydrophobicContact CB-CD1 4.09Å; F24-I97 HydrophobicContact CD1-CD1 3.66Å; F24-I97 HydrophobicContact CD2-CD1 3.75Å; F24-I97 HydrophobicContact CD2-CG1 4.21Å; F24-I97 HydrophobicContact CE1-CD1 3.92Å; F24-I97 HydrophobicContact CE2-CD1 3.99Å; F24-I97 HydrophobicContact CE2-CG1 4.16Å; F24-I97 HydrophobicContact CG-CD1 3.56Å; F24-I97 HydrophobicContact CG-CG1 4.5Å; F24-I97 HydrophobicContact CZ-CD1 4.07Å; F24-I97 HydrophobicContact CZ-CG1 4.41Å; I26-I97 HydrophobicContact CD1-CG2 3.95Å; W40-I97 HydrophobicContact CE3-CG2 3.88Å; W40-I97 HydrophobicContact CZ3-CG2 4.12Å; K41-I97 WeakPolarHBondContact O-CA 3.44Å; I42-I97 HydrophobicContact CG1-CG1 4.4Å; I97-R108 CarbonylContact O-C 3.6Å; I97-R108 WeakPolarHBondContact O-CA 3.29Å; I97-V109 HydrophobicContact CB-CB 4.36Å; I97-V109 PolarHBondContact N-O 2.89Å; I97-V109 PolarHBondContact O-N 2.8Å; I97-Y111 HydrophobicContact CD1-CE2 4.41Å
98T98.4Very high97.1Very high3 Ų330.9 Ų30.92%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-108.6143.7176.658.70000109.8W40 K41 I43 I107 R108W40-T98 WeakPolarHBondContact CA-O 3.44Å; K41-T98 PolarHBondContact N-O 2.85Å; K41-T98 PolarHBondContact O-N 2.79Å; I43-T98 HydrophobicContact CD1-CG2 4.06Å; T98-I107 WeakPolarHBondContact CA-O 3.27Å; T98-R108 HydrophobicContact CG2-CB 4.47Å; T98-R108 HydrophobicContact CG2-CG 4Å
99C98.2Very high97.2Very high0 Ų029.1 Ų29.10%017%0.172CC..EExtended strand (participates in β ladder)trans-121.2129.9166.9-166.30000109.8E39 W40 F106 I107E39-C99 CarbonylContact O-C 3.58Å; E39-C99 VanDerWaalsContact O-CA 3.32Å; E39-C99 WeakPolarHBondContact O-CA 3.19Å; W40-C99 HydrophobicContact CD2-CB 3.87Å; W40-C99 HydrophobicContact CE3-CB 3.72Å; W40-C99 HydrophobicContact CH2-CB 4.01Å; W40-C99 HydrophobicContact CZ2-CB 4.12Å; W40-C99 HydrophobicContact CZ3-CB 3.79Å; C99-F106 HydrophobicContact CB-CE1 3.77Å; C99-F106 HydrophobicContact CB-CE2 4.49Å; C99-F106 HydrophobicContact CB-CZ 3.72Å; C99-F106 VanDerWaalsContact O-CD1 3.31Å; C99-F106 WeakPolarHBondContact O-CD1 3.28Å; C99-F106 PolarHBondContact O-N 2.87Å; C99-F106 VanDerWaalsContact O-N 3.07Å; C99-F106 WeakPolarHBondContact SG-CE1 3.38Å; C99-F106 WeakPolarHBondContact SG-CZ 3.42Å; C99-I107 HydrophobicContact CB-CG2 3.62Å; C99-I107 PolarHBondContact N-O 2.87Å
100T97.7Very high97.4Very high16 Ų1629.4 Ų29.410%0.09818%0.175CC..EExtended strand (participates in β ladder)trans-117.6147.9176.886.90000110.1E39 Q104 E105E39-T100 WeakPolarHBondContact CB-OG1 3.41Å; E39-T100 PolarHBondContact N-O 2.99Å; E39-T100 PolarHBondContact O-N 3.13Å; E39-T100 PolarHBondContact OE2-OG1 2.77Å; E39-T100 VanDerWaalsContact OE2-OG1 3.13Å; T100-Q104 VanDerWaalsContact CA-O 3.31Å; T100-Q104 WeakPolarHBondContact CA-O 3.43Å; T100-E105 HydrophobicContact CG2-CB 4.04Å; T100-E105 HydrophobicContact CG2-CG 4.43Å
101Y96.7Very high97.5Very high3 Ų327 Ų271%0.01216%0.16CC..EExtended strand (participates in β ladder)trans-132.3129.5170.9-178.7-114.6000107L34 S35 E36 L38 G103 Q104 I151 W153L34-Y101 HydrophobicContact CB-CE2 4.01Å; L34-Y101 HydrophobicContact CD1-CD2 4.17Å; L34-Y101 HydrophobicContact CD1-CE2 3.97Å; L34-Y101 HydrophobicContact CD2-CE2 4.37Å; L34-Y101 HydrophobicContact CG-CE2 4.35Å; S35-Y101 PolarHBondContact OG-OH 3.39Å; E36-Y101 HydrophobicContact CB-CD2 4.46Å; E36-Y101 HydrophobicContact CB-CE2 3.67Å; E36-Y101 WeakPolarHBondContact O-CE2 3.44Å; L38-Y101 HydrophobicContact CD2-CD2 3.86Å; L38-Y101 HydrophobicContact CD2-CG 4.21Å; Y101-G103 PolarHBondContact O-N 3.2Å; Y101-Q104 PolarHBondContact N-O 3.21Å; Y101-Q104 PolarHBondContact O-N 3.21Å; Y101-I151 HydrophobicContact CD1-CD1 4.18Å; Y101-W153 HydrophobicContact CD1-CD2 4.36Å; Y101-W153 AromaticContact CD1-CE3 3.53Å; Y101-W153 HydrophobicContact CD1-CE3 3.53Å; Y101-W153 AromaticContact CD1-CZ3 3.9Å; Y101-W153 HydrophobicContact CD1-CZ3 3.9Å; Y101-W153 AromaticContact CE1-CE3 3.89Å; Y101-W153 HydrophobicContact CE1-CE3 3.89Å; Y101-W153 HydrophobicContact CG-CE3 4.22Å; Y101-W153 HydrophobicContact CG-CZ3 4.12Å
102R94.1Very high97.6Very high52 Ų5230.7 Ų30.720%0.19617%0.167CC..THydrogen-bonded Turntrans53.741.1-176.3-59.3179.3166.9-121.7-11112.8S35 E36 Q104 E154 D155S35-R102 PolarHBondContact OG-NH2 2.81Å; E36-R102 WeakPolarHBondContact OE1-CG 3.26Å; E36-R102 IonicContact OE1-CZ 3.89Å; E36-R102 IonicContact OE1-NE 3.1Å; E36-R102 PolarHBondContact OE1-NE 3.43Å; E36-R102 IonicContact OE1-NH1 3.44Å; E36-R102 PolarHBondContact OE1-NH1 2.84Å; E36-R102 IonicContact OE1-NH2 3.62Å; E36-R102 PolarHBondContact OE1-NH2 2.82Å; R102-Q104 PolarHBondContact O-N 3.09Å; R102-Q104 VanDerWaalsContact O-N 3.11Å; R102-E154 PolarHBondContact NH1-O 2.85Å; R102-D155 IonicContact CZ-OD2 2.77Å; R102-D155 IonicContact NH1-OD1 2.62Å; R102-D155 IonicContact NH1-OD2 2.76Å; R102-D155 PolarHBondContact NH1-OD2 3Å; R102-D155 IonicContact NH2-OD2 2.79Å; R102-D155 PolarHBondContact NH2-OD2 3.1Å
103G95.1Very high97.6Very high74 Ų7426.2 Ų26.276%0.76314%0.14SC*.THydrogen-bonded Turntrans67.36.2-177.600000115.3Y101Y101-G103 PolarHBondContact O-N 3.2Å
104Q97Very high97.6Very high70 Ų7027.5 Ų27.533%0.32715%0.146SC..EExtended strand (participates in β ladder)trans-107.3117.3178.4-63.8166.38100109.5T100 Y101 R102 F106 I151 N152T100-Q104 VanDerWaalsContact CA-O 3.31Å; T100-Q104 WeakPolarHBondContact CA-O 3.43Å; Y101-Q104 PolarHBondContact N-O 3.21Å; Y101-Q104 PolarHBondContact O-N 3.21Å; R102-Q104 PolarHBondContact O-N 3.09Å; R102-Q104 VanDerWaalsContact O-N 3.11Å; Q104-F106 PolarHBondContact O-N 3Å; Q104-I151 HydrophobicContact CB-CB 3.82Å; Q104-I151 HydrophobicContact CB-CD1 4.32Å; Q104-I151 HydrophobicContact CB-CG2 3.6Å; Q104-N152 PolarHBondContact NE2-O 2.9Å
105E97.8Very high97.6Very high48 Ų4825.8 Ų25.822%0.22414%0.136CC..EExtended strand (participates in β ladder)trans-65.7125.9172.8-172.1-176.7143.700110.2T100 R108 F149 I151T100-E105 HydrophobicContact CG2-CB 4.04Å; T100-E105 HydrophobicContact CG2-CG 4.43Å; E105-R108 VanDerWaalsContact CD-NH2 3.32Å; E105-R108 WeakPolarHBondContact OE1-CB 3.31Å; E105-R108 IonicContact OE1-CZ 2.73Å; E105-R108 VanDerWaalsContact OE1-CZ 3.31Å; E105-R108 IonicContact OE1-NE 3.98Å; E105-R108 PolarHBondContact OE1-NE 2.77Å; E105-R108 IonicContact OE1-NH2 2.96Å; E105-R108 PolarHBondContact OE1-NH2 2.62Å; E105-R108 VanDerWaalsContact OE1-NH2 3.1Å; E105-R108 IonicContact OE2-CZ 3.78Å; E105-R108 IonicContact OE2-NE 3.31Å; E105-R108 IonicContact OE2-NH2 3.49Å; E105-R108 PolarHBondContact OE2-NH2 2.91Å; E105-F149 HydrophobicContact CG-CD2 4.2Å; E105-F149 HydrophobicContact CG-CE2 4.25Å; E105-F149 WeakPolarHBondContact O-CB 3.31Å; E105-F149 VanDerWaalsContact OE1-CE2 3.24Å; E105-F149 WeakPolarHBondContact OE1-CE2 3.4Å; E105-I151 VanDerWaalsContact O-CG2 3.27Å; E105-I151 WeakPolarHBondContact O-CG2 3.39Å
106F97.3Very high97.6Very high7 Ų729 Ų293%0.03115%0.151CC..EExtended strand (participates in β ladder)trans-114.8-16.217868.9-88000113.3V4 L38 C99 Q104 R148 F149 I151 W153V4-F106 HydrophobicContact CB-CE2 3.84Å; V4-F106 HydrophobicContact CB-CZ 3.87Å; V4-F106 HydrophobicContact CG1-CE2 3.98Å; V4-F106 HydrophobicContact CG1-CZ 3.9Å; L38-F106 HydrophobicContact CD2-CE1 3.85Å; L38-F106 HydrophobicContact CD2-CZ 4.11Å; C99-F106 HydrophobicContact CB-CE1 3.77Å; C99-F106 HydrophobicContact CB-CE2 4.49Å; C99-F106 HydrophobicContact CB-CZ 3.72Å; C99-F106 VanDerWaalsContact O-CD1 3.31Å; C99-F106 WeakPolarHBondContact O-CD1 3.28Å; C99-F106 PolarHBondContact O-N 2.87Å; C99-F106 VanDerWaalsContact O-N 3.07Å; C99-F106 WeakPolarHBondContact SG-CE1 3.38Å; C99-F106 WeakPolarHBondContact SG-CZ 3.42Å; Q104-F106 PolarHBondContact O-N 3Å; F106-R148 WeakPolarHBondContact O-CA 3.17Å; F106-F149 PolarHBondContact O-N 3.2Å; F106-I151 HydrophobicContact CB-CB 4.46Å; F106-I151 HydrophobicContact CB-CD1 3.78Å; F106-I151 HydrophobicContact CB-CG1 3.86Å; F106-I151 HydrophobicContact CB-CG2 3.75Å; F106-I151 HydrophobicContact CD1-CD1 4.05Å; F106-I151 HydrophobicContact CG-CD1 4.22Å; F106-W153 HydrophobicContact CB-CZ2 4.2Å; F106-W153 HydrophobicContact CD1-CH2 4.02Å; F106-W153 AromaticContact CD2-CH2 3.86Å; F106-W153 HydrophobicContact CD2-CH2 3.86Å; F106-W153 HydrophobicContact CD2-CZ2 4.06Å; F106-W153 HydrophobicContact CE1-CH2 4.17Å; F106-W153 HydrophobicContact CE2-CH2 4.01Å; F106-W153 AromaticContact CG-CH2 3.86Å; F106-W153 HydrophobicContact CG-CH2 3.86Å; F106-W153 HydrophobicContact CG-CZ2 4.02Å; F106-W153 HydrophobicContact CZ-CH2 4.16Å
107I98Very high97.6Very high4 Ų428.1 Ų28.12%0.02115%0.146CC..EExtended strand (participates in β ladder)trans-149.6142.4175-166.4170.5000112.1V6 T98 C99 V109 V146 T147 R148V6-I107 HydrophobicContact CB-CD1 3.71Å; V6-I107 HydrophobicContact CG2-CD1 3.61Å; V6-I107 HydrophobicContact CG2-CG2 3.98Å; T98-I107 WeakPolarHBondContact CA-O 3.27Å; C99-I107 HydrophobicContact CB-CG2 3.62Å; C99-I107 PolarHBondContact N-O 2.87Å; I107-V109 HydrophobicContact CD1-CG2 4.46Å; I107-V109 HydrophobicContact CG1-CG2 4.43Å; I107-V146 HydrophobicContact CD1-CG1 3.95Å; I107-V146 HydrophobicContact CG1-CG1 4.13Å; I107-T147 WeakPolarHBondContact CA-O 3.21Å; I107-R148 HydrophobicContact CD1-CG 4.42Å; I107-R148 HydrophobicContact CG1-CG 4.29Å
108R98.2Very high97.3Very high84 Ų8431.8 Ų31.832%0.31717%0.168SC..EExtended strand (participates in β ladder)trans-129.4126.7172.9-168.7171.7-66-166.9-2.9109.4L96 I97 T98 E105 V146 T147 F149L96-R108 HydrophobicContact CD2-CG 4.21Å; I97-R108 CarbonylContact O-C 3.6Å; I97-R108 WeakPolarHBondContact O-CA 3.29Å; T98-R108 HydrophobicContact CG2-CB 4.47Å; T98-R108 HydrophobicContact CG2-CG 4Å; E105-R108 VanDerWaalsContact CD-NH2 3.32Å; E105-R108 WeakPolarHBondContact OE1-CB 3.31Å; E105-R108 IonicContact OE1-CZ 2.73Å; E105-R108 VanDerWaalsContact OE1-CZ 3.31Å; E105-R108 IonicContact OE1-NE 3.98Å; E105-R108 PolarHBondContact OE1-NE 2.77Å; E105-R108 IonicContact OE1-NH2 2.96Å; E105-R108 PolarHBondContact OE1-NH2 2.62Å; E105-R108 VanDerWaalsContact OE1-NH2 3.1Å; E105-R108 IonicContact OE2-CZ 3.78Å; E105-R108 IonicContact OE2-NE 3.31Å; E105-R108 IonicContact OE2-NH2 3.49Å; E105-R108 PolarHBondContact OE2-NH2 2.91Å; R108-V146 WeakPolarHBondContact O-CA 3.14Å; R108-T147 PolarHBondContact N-O 2.88Å; R108-T147 PolarHBondContact O-N 2.78Å; R108-F149 HydrophobicContact CB-CE2 4.2Å
109V98.3Very high97.1Very high6 Ų635.4 Ų35.44%0.03619%0.185CC..EExtended strand (participates in β ladder)trans-115.2109.4173-174.60000108L96 I97 I107 Y111 P144 R145 V146L96-V109 CarbonylContact C-O 3.58Å; L96-V109 WeakPolarHBondContact CA-O 3.45Å; I97-V109 HydrophobicContact CB-CB 4.36Å; I97-V109 PolarHBondContact N-O 2.89Å; I97-V109 PolarHBondContact O-N 2.8Å; I107-V109 HydrophobicContact CD1-CG2 4.46Å; I107-V109 HydrophobicContact CG1-CG2 4.43Å; V109-Y111 HydrophobicContact CG1-CD2 4.37Å; V109-Y111 HydrophobicContact CG1-CE2 3.71Å; V109-P144 HydrophobicContact CG1-CB 4.09Å; V109-R145 CarbonylContact C-O 3.55Å; V109-R145 WeakPolarHBondContact CA-O 3.36Å; V109-V146 HydrophobicContact CG1-CG2 4.36Å; V109-V146 HydrophobicContact CG2-CG2 4.36Å
110G98.2Very high97Very high6 Ų638.9 Ų38.96%0.06221%0.206CC..EExtended strand (participates in β ladder)trans-100.6137.3177.400000112.4V95 R145V95-G110 CarbonylContact O-C 3.54Å; V95-G110 WeakPolarHBondContact O-CA 3.44Å; G110-R145 PolarHBondContact N-O 2.76Å; G110-R145 PolarHBondContact O-N 2.81Å
111Y98.4Very high96.8Very high6 Ų645.6 Ų45.62%0.02424%0.237CC..EExtended strand (participates in β ladder)trans-119.8138.9168.7-69.5-84.4000109.9V9 V11 F24 V94 V95 I97 V109 I139 P144V9-Y111 HydrophobicContact CG1-CE2 4.12Å; V9-Y111 PolarHBondContact O-OH 2.8Å; V11-Y111 HydrophobicContact CG2-CD1 4.42Å; V11-Y111 HydrophobicContact CG2-CE1 4.02Å; V11-Y111 HydrophobicContact CG2-CE2 4.26Å; F24-Y111 HydrophobicContact CE1-CD2 4.21Å; F24-Y111 HydrophobicContact CE1-CE2 4.26Å; V94-Y111 CarbonylContact C-O 3.54Å; V94-Y111 VanDerWaalsContact CA-O 3.28Å; V94-Y111 WeakPolarHBondContact CA-O 3.35Å; V95-Y111 PolarHBondContact N-O 3.28Å; V95-Y111 PolarHBondContact O-N 2.91Å; I97-Y111 HydrophobicContact CD1-CE2 4.41Å; V109-Y111 HydrophobicContact CG1-CD2 4.37Å; V109-Y111 HydrophobicContact CG1-CE2 3.71Å; Y111-I139 HydrophobicContact CD1-CG2 4.14Å; Y111-I139 HydrophobicContact CG-CG2 3.88Å; Y111-P144 HydrophobicContact CD1-CB 4.25Å; Y111-P144 HydrophobicContact CE1-CB 3.61Å; Y111-P144 HydrophobicContact CE1-CG 4.26Å
112Y97.9Very high96.7Very high100 Ų10047.2 Ų47.239%0.39225%0.245SC..EExtended strand (participates in β ladder)trans-69.9142.5163.6-70.7-67.6000109.9V92 T93 V94 L140V92-Y112 HydrophobicContact CG1-CD1 3.73Å; V92-Y112 HydrophobicContact CG1-CG 4.33Å; T93-Y112 CarbonylContact O-C 3.58Å; T93-Y112 WeakPolarHBondContact O-CA 3.31Å; V94-Y112 HydrophobicContact CG2-CD1 3.83Å; V94-Y112 HydrophobicContact CG2-CE1 3.98Å; Y112-L140 PolarHBondContact O-N 3.44Å
113V98Very high96.7Very high0 Ų051.2 Ų51.20%026%0.26CS..EExtended strand (participates in β ladder)trans-125.8119.7179-176.20000107.3V92 T93 V95 R137 I139V92-V113 CarbonylContact C-O 3.5Å; V92-V113 VanDerWaalsContact CA-O 3.31Å; V92-V113 WeakPolarHBondContact CA-O 3.45Å; T93-V113 HydrophobicContact CG2-CB 4.06Å; T93-V113 PolarHBondContact N-O 2.98Å; T93-V113 PolarHBondContact O-N 2.63Å; V95-V113 HydrophobicContact CB-CG2 3.85Å; V95-V113 HydrophobicContact CG1-CG2 3.53Å; V113-R137 HydrophobicContact CG1-CG 3.27Å; V113-I139 HydrophobicContact CG1-CG1 4.48Å; V113-I139 HydrophobicContact CG2-CG1 4.22Å
114N97.8Very high96.7Very high37 Ų3754.4 Ų54.420%0.19826%0.255CS..EExtended strand (participates in β ladder)trans-100.1115.3173-172.841.3000109.2G91 V92 E116 N138G91-N114 CarbonylContact O-C 3.58Å; G91-N114 WeakPolarHBondContact O-CA 3.39Å; G91-N114 PolarHBondContact O-OD1 3.07Å; V92-N114 HydrophobicContact CG2-CB 4.44Å; N114-E116 PolarHBondContact ND2-OE2 3.17Å; N114-N138 PolarHBondContact N-O 2.84Å; N114-N138 PolarHBondContact O-N 2.91Å
115N98Very high96.6Very high1 Ų156.8 Ų56.81%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-96.2117.1171.7-54.6-44.7000108.8Y44 A89 G91 L135 Q136Y44-N115 PolarHBondContact OH-ND2 2.78Å; A89-N115 WeakPolarHBondContact O-CB 3.5Å; A89-N115 PolarHBondContact O-ND2 3.45Å; G91-N115 PolarHBondContact N-O 3.16Å; G91-N115 PolarHBondContact O-N 3Å; N115-L135 HydrophobicContact CB-CD1 4.37Å; N115-Q136 WeakPolarHBondContact CA-O 3.43Å
116E97.4Very high96.4Very high68 Ų6858.3 Ų58.332%0.31828%0.284SS..EExtended strand (participates in β ladder)trans-136.5151.4-179.464-177.1-170.700112.1N114 Q136N114-E116 PolarHBondContact ND2-OE2 3.17Å; E116-Q136 PolarHBondContact N-O 3Å; E116-Q136 PolarHBondContact O-N 2.82Å
117Y97.8Very high96.2Very high5 Ų560.4 Ų60.42%0.0230%0.299CS..EExtended strand (participates in β ladder)trans-70.1134.8170.2-65.6-67.4000110.1V90 L122 R123 P126 P127 P130 D131 K134 L135V90-Y117 HydrophobicContact CG1-CD2 4.46Å; V90-Y117 HydrophobicContact CG1-CE2 4.33Å; V90-Y117 HydrophobicContact CG2-CE2 3.81Å; Y117-L122 HydrophobicContact CD1-CB 3.95Å; Y117-L122 HydrophobicContact CD1-CD1 3.83Å; Y117-L122 HydrophobicContact CD2-CB 3.96Å; Y117-L122 WeakPolarHBondContact CD2-O 3.31Å; Y117-L122 HydrophobicContact CE1-CD1 4.3Å; Y117-L122 HydrophobicContact CG-CB 3.6Å; Y117-L122 HydrophobicContact CG-CD1 4.33Å; Y117-R123 WeakPolarHBondContact O-CD 3.34Å; Y117-R123 WeakPolarHBondContact O-CG 3.41Å; Y117-P126 HydrophobicContact CE2-CB 4.01Å; Y117-P127 WeakPolarHBondContact OH-CG 3.37Å; Y117-P130 WeakPolarHBondContact OH-CA 3.4Å; Y117-D131 HydrophobicContact CE1-CB 4.43Å; Y117-D131 PolarHBondContact OH-N 3.33Å; Y117-D131 VanDerWaalsContact OH-N 3.08Å; Y117-K134 HydrophobicContact CD1-CB 3.82Å; Y117-K134 HydrophobicContact CE1-CB 4.09Å; Y117-L135 HydrophobicContact CD1-CD2 3.61Å; Y117-L135 HydrophobicContact CD1-CG 4.33Å; Y117-L135 HydrophobicContact CD2-CD2 4.24Å; Y117-L135 HydrophobicContact CE1-CD2 3.57Å; Y117-L135 HydrophobicContact CE1-CG 4.04Å; Y117-L135 HydrophobicContact CE2-CD2 4.2Å; Y117-L135 HydrophobicContact CG-CD2 3.95Å
118T93.6Very high96Very high77 Ų7767.3 Ų67.347%0.47234%0.341SS..SBendtrans-79.3-27.5175.253.80000112.4Q136T118-Q136 HydrophobicContact CG2-CB 3.43Å; T118-Q136 VanDerWaalsContact CG2-CB 3.43Å; T118-Q136 HydrophobicContact CG2-CG 4.28Å
119E94.3Very high95.9Very high80 Ų8070.9 Ų70.937%0.37436%0.358SS..SBendtrans-81.1126.9179.9-64.1177.4-173.200110.9E121 L122 R123 K134E119-E121 VanDerWaalsContact C-N 3.28Å; E119-E121 PolarHBondContact O-N 3.22Å; E119-L122 HydrophobicContact CB-CB 4.42Å; E119-L122 HydrophobicContact CB-CD1 4.17Å; E119-L122 HydrophobicContact CB-CG 4.25Å; E119-L122 PolarHBondContact O-N 3.34Å; E119-L122 WeakPolarHBondContact OE2-CD1 3.44Å; E119-R123 PolarHBondContact O-N 2.91Å; E119-R123 VanDerWaalsContact O-N 3.16Å; E119-K134 IonicContact OE1-NZ 3.07Å; E119-K134 PolarHBondContact OE1-NZ 3.39Å; E119-K134 IonicContact OE2-NZ 2.68Å
120T94.5Very high95.8Very high72 Ų7271.1 Ų71.144%0.44236%0.36SS..Hα-helixtrans-55.9-41.5-177.8-57.30000112.7L122 R123 E124T120-L122 PolarHBondContact O-N 2.89Å; T120-R123 PolarHBondContact O-N 3.03Å; T120-E124 HydrophobicContact CG2-CG 4.44Å; T120-E124 PolarHBondContact O-N 3.43Å
121E94.8Very high95.7Very high157 Ų15774 Ų7473%0.73437%0.374SS*.Hα-helixtrans-61.1-42.5-179.1-62.9-177.318000112.2E119 R123 E124 N125E119-E121 VanDerWaalsContact C-N 3.28Å; E119-E121 PolarHBondContact O-N 3.22Å; E121-R123 VanDerWaalsContact C-N 3.34Å; E121-E124 PolarHBondContact O-N 3.19Å; E121-N125 PolarHBondContact O-N 2.9Å
122L95Very high95.6Very high37 Ų3774.4 Ų74.419%0.19438%0.376CS..Hα-helixtrans-72.6-26178.3-64.8178.5000112.7Y117 E119 T120 N125 P126 K134Y117-L122 HydrophobicContact CD1-CB 3.95Å; Y117-L122 HydrophobicContact CD1-CD1 3.83Å; Y117-L122 HydrophobicContact CD2-CB 3.96Å; Y117-L122 WeakPolarHBondContact CD2-O 3.31Å; Y117-L122 HydrophobicContact CE1-CD1 4.3Å; Y117-L122 HydrophobicContact CG-CB 3.6Å; Y117-L122 HydrophobicContact CG-CD1 4.33Å; E119-L122 HydrophobicContact CB-CB 4.42Å; E119-L122 HydrophobicContact CB-CD1 4.17Å; E119-L122 HydrophobicContact CB-CG 4.25Å; E119-L122 PolarHBondContact O-N 3.34Å; E119-L122 WeakPolarHBondContact OE2-CD1 3.44Å; T120-L122 PolarHBondContact O-N 2.89Å; L122-N125 CarbonylContact O-C 3.48Å; L122-P126 WeakPolarHBondContact O-CA 3.34Å; L122-P126 VanDerWaalsContact O-N 3.16Å; L122-K134 HydrophobicContact CD1-CB 3.79Å; L122-K134 HydrophobicContact CD1-CD 4.49Å; L122-K134 HydrophobicContact CD1-CG 3.91Å
123R93.2Very high95.6Very high137 Ų13773.2 Ų73.252%0.51738%0.382SS..Hα-helixtrans-73.3-41.5172.4-65.6-172-50.2-171.23.1112.2Y117 E119 T120 E121Y117-R123 WeakPolarHBondContact O-CD 3.34Å; Y117-R123 WeakPolarHBondContact O-CG 3.41Å; E119-R123 PolarHBondContact O-N 2.91Å; E119-R123 VanDerWaalsContact O-N 3.16Å; T120-R123 PolarHBondContact O-N 3.03Å; E121-R123 VanDerWaalsContact C-N 3.34Å
124E94.8Very high95.5Very high141 Ų14176.8 Ų76.866%0.65940%0.398SS*.Hα-helixtrans-73.2-35.6-180-70.5-179.2-174.600111.6T120 E121T120-E124 HydrophobicContact CG2-CG 4.44Å; T120-E124 PolarHBondContact O-N 3.43Å; E121-E124 PolarHBondContact O-N 3.19Å
125N94.5Very high95.5Very high120 Ų12075.2 Ų75.264%0.64239%0.39SS*.SBendtrans-132.975.9-179.6-58.7-79.7000110.1E121 L122E121-N125 PolarHBondContact O-N 2.9Å; L122-N125 CarbonylContact O-C 3.48Å
126P93.5Very high95.5Very high79 Ų7978 Ų7851%0.51340%0.402SS..  trans-62.2138.3-179.925.6-33.9000110.6Y117 L122Y117-P126 HydrophobicContact CE2-CB 4.01Å; L122-P126 WeakPolarHBondContact O-CA 3.34Å; L122-P126 VanDerWaalsContact O-N 3.16Å
127P94.5Very high95.6Very high51 Ų5174.8 Ų74.833%0.33139%0.387SS..  trans-63.9149.3176.428.4-35000110.2Y117 K129Y117-P127 WeakPolarHBondContact OH-CG 3.37Å; P127-K129 WeakPolarHBondContact CB-O 3.12Å; P127-K129 WeakPolarHBondContact CG-O 3.4Å; P127-K129 PolarHBondContact O-N 3.23Å
128V93.9Very high95.6Very high149 Ų14976.8 Ų76.890%0.90340%0.398SS*.SBendtrans-57.2-39.1177.9177.70000111.3
129K95.4Very high95.8Very high159 Ų15973.3 Ų73.369%0.69138%0.377SS*.SBendtrans-100.9121.8171.2-173.2173.1-175174.10108.9P127 D131P127-K129 WeakPolarHBondContact CB-O 3.12Å; P127-K129 WeakPolarHBondContact CG-O 3.4Å; P127-K129 PolarHBondContact O-N 3.23Å; K129-D131 PolarHBondContact O-N 2.92Å
130P96.3Very high96Very high12 Ų1273 Ų738%0.07838%0.377CS..  trans-58.6134179.5-25.333.9000113.1D86 A89 V90 Y117 F132D86-P130 HydrophobicContact CB-CG 4.07Å; D86-P130 VanDerWaalsContact O-CG 3.31Å; D86-P130 WeakPolarHBondContact O-CG 3.32Å; A89-P130 HydrophobicContact CB-CB 3.64Å; A89-P130 HydrophobicContact CB-CG 3.55Å; V90-P130 HydrophobicContact CG2-CB 4.35Å; Y117-P130 WeakPolarHBondContact OH-CA 3.4Å; P130-F132 HydrophobicContact CB-CD2 4.38Å; P130-F132 HydrophobicContact CB-CE2 4Å
131D96.2Very high96Very high66 Ų6671.6 Ų71.635%0.35337%0.373SS..  trans-100.291.4172.6-175.4-1.9000110.3Y117 K129 S133 K134Y117-D131 HydrophobicContact CE1-CB 4.43Å; Y117-D131 PolarHBondContact OH-N 3.33Å; Y117-D131 VanDerWaalsContact OH-N 3.08Å; K129-D131 PolarHBondContact O-N 2.92Å; D131-S133 VanDerWaalsContact CG-OG 3.29Å; D131-S133 PolarHBondContact O-N 3.37Å; D131-S133 VanDerWaalsContact O-N 3.1Å; D131-S133 VanDerWaalsContact OD1-CB 3.32Å; D131-S133 WeakPolarHBondContact OD1-CB 3.46Å; D131-S133 PolarHBondContact OD1-N 2.84Å; D131-S133 PolarHBondContact OD1-OG 3.35Å; D131-S133 PolarHBondContact OD2-OG 2.83Å; D131-K134 HydrophobicContact CB-CG 4.47Å; D131-K134 PolarHBondContact O-N 2.82Å; D131-K134 WeakPolarHBondContact OD2-CG 3.43Å
132F97.1Very high96Very high15 Ų1568.8 Ų68.87%0.06637%0.371CS..G310 helixtrans-59.6-20.8179.6-67.5-96.1000113.9F18 Y19 P81 I84 A89 P130 K134 L135F18-F132 HydrophobicContact CD1-CB 4.11Å; F18-F132 AromaticContact CD1-CD1 3.78Å; F18-F132 HydrophobicContact CD1-CD1 3.78Å; F18-F132 HydrophobicContact CD1-CG 4.42Å; F18-F132 AromaticContact CD2-CD1 4Å; F18-F132 HydrophobicContact CD2-CD1 4Å; F18-F132 HydrophobicContact CE1-CB 4.46Å; F18-F132 AromaticContact CE1-CD1 3.5Å; F18-F132 HydrophobicContact CE1-CD1 3.5Å; F18-F132 VanDerWaalsContact CE1-CD1 3.5Å; F18-F132 HydrophobicContact CE1-CE1 4.11Å; F18-F132 HydrophobicContact CE1-CG 4.34Å; F18-F132 AromaticContact CE2-CD1 3.69Å; F18-F132 HydrophobicContact CE2-CD1 3.69Å; F18-F132 AromaticContact CE2-CE1 3.9Å; F18-F132 HydrophobicContact CE2-CE1 3.9Å; F18-F132 HydrophobicContact CG-CD1 4.02Å; F18-F132 AromaticContact CZ-CD1 3.42Å; F18-F132 HydrophobicContact CZ-CD1 3.42Å; F18-F132 VanDerWaalsContact CZ-CD1 3.42Å; F18-F132 AromaticContact CZ-CE1 3.62Å; F18-F132 HydrophobicContact CZ-CE1 3.62Å; Y19-F132 HydrophobicContact CE2-CB 3.98Å; Y19-F132 WeakPolarHBondContact OH-CB 3.31Å; P81-F132 HydrophobicContact CB-CB 4.37Å; P81-F132 HydrophobicContact CB-CD1 3.86Å; P81-F132 HydrophobicContact CB-CD2 3.53Å; P81-F132 HydrophobicContact CB-CE1 3.91Å; P81-F132 HydrophobicContact CB-CE2 3.58Å; P81-F132 HydrophobicContact CB-CG 3.66Å; P81-F132 HydrophobicContact CB-CZ 3.75Å; P81-F132 HydrophobicContact CG-CB 4.28Å; P81-F132 HydrophobicContact CG-CD1 4.22Å; P81-F132 HydrophobicContact CG-CD2 4.34Å; P81-F132 HydrophobicContact CG-CG 4.04Å; I84-F132 HydrophobicContact CB-CZ 4.25Å; I84-F132 HydrophobicContact CD1-CE1 3.98Å; I84-F132 HydrophobicContact CD1-CZ 4.44Å; I84-F132 HydrophobicContact CG2-CZ 4.4Å; A89-F132 HydrophobicContact CB-CE1 3.88Å; A89-F132 HydrophobicContact CB-CE2 4.2Å; A89-F132 HydrophobicContact CB-CZ 3.46Å; A89-F132 VanDerWaalsContact CB-CZ 3.46Å; P130-F132 HydrophobicContact CB-CD2 4.38Å; P130-F132 HydrophobicContact CB-CE2 4Å; F132-K134 PolarHBondContact O-N 2.81Å; F132-L135 HydrophobicContact CD1-CD1 3.84Å; F132-L135 HydrophobicContact CE1-CD1 4.33Å; F132-L135 HydrophobicContact CG-CD1 4.24Å; F132-L135 PolarHBondContact O-N 3.15Å
133S96.7Very high95.9Very high74 Ų7472.1 Ų72.152%0.51739%0.389SS..G310 helixtrans-70-18176.276.70000113.2D131D131-S133 VanDerWaalsContact CG-OG 3.29Å; D131-S133 PolarHBondContact O-N 3.37Å; D131-S133 VanDerWaalsContact O-N 3.1Å; D131-S133 VanDerWaalsContact OD1-CB 3.32Å; D131-S133 WeakPolarHBondContact OD1-CB 3.46Å; D131-S133 PolarHBondContact OD1-N 2.84Å; D131-S133 PolarHBondContact OD1-OG 3.35Å; D131-S133 PolarHBondContact OD2-OG 2.83Å
134K96.8Very high96.1Very high76 Ų7668.2 Ų68.233%0.3338%0.381SS..G310 helixtrans-105.8-2.8179.7-62.3-65.9-170161.40113.2Y117 E119 L122 D131 F132Y117-K134 HydrophobicContact CD1-CB 3.82Å; Y117-K134 HydrophobicContact CE1-CB 4.09Å; E119-K134 IonicContact OE1-NZ 3.07Å; E119-K134 PolarHBondContact OE1-NZ 3.39Å; E119-K134 IonicContact OE2-NZ 2.68Å; L122-K134 HydrophobicContact CD1-CB 3.79Å; L122-K134 HydrophobicContact CD1-CD 4.49Å; L122-K134 HydrophobicContact CD1-CG 3.91Å; D131-K134 HydrophobicContact CB-CG 4.47Å; D131-K134 PolarHBondContact O-N 2.82Å; D131-K134 WeakPolarHBondContact OD2-CG 3.43Å; F132-K134 PolarHBondContact O-N 2.81Å
135L97.6Very high96.2Very high4 Ų469.3 Ų69.32%0.02138%0.379CS..EExtended strand (participates in β ladder)trans-81.6134.1177.2-67.9179.4000111.1F18 V90 N115 Y117 F132F18-L135 HydrophobicContact CB-CB 3.93Å; F18-L135 PolarHBondContact N-O 3.37Å; V90-L135 HydrophobicContact CG2-CD1 4.4Å; V90-L135 HydrophobicContact CG2-CD2 4.02Å; N115-L135 HydrophobicContact CB-CD1 4.37Å; Y117-L135 HydrophobicContact CD1-CD2 3.61Å; Y117-L135 HydrophobicContact CD1-CG 4.33Å; Y117-L135 HydrophobicContact CD2-CD2 4.24Å; Y117-L135 HydrophobicContact CE1-CD2 3.57Å; Y117-L135 HydrophobicContact CE1-CG 4.04Å; Y117-L135 HydrophobicContact CE2-CD2 4.2Å; Y117-L135 HydrophobicContact CG-CD2 3.95Å; F132-L135 HydrophobicContact CD1-CD1 3.84Å; F132-L135 HydrophobicContact CE1-CD1 4.33Å; F132-L135 HydrophobicContact CG-CD1 4.24Å; F132-L135 PolarHBondContact O-N 3.15Å
136Q98.4Very high96.4Very high58 Ų5867.1 Ų67.127%0.27137%0.37SS..EExtended strand (participates in β ladder)trans-101.8130.2164.2175.7172.997.200108.5P15 N115 E116 T118P15-Q136 HydrophobicContact CB-CG 3.96Å; N115-Q136 WeakPolarHBondContact CA-O 3.43Å; E116-Q136 PolarHBondContact N-O 3Å; E116-Q136 PolarHBondContact O-N 2.82Å; T118-Q136 HydrophobicContact CG2-CB 3.43Å; T118-Q136 VanDerWaalsContact CG2-CB 3.43Å; T118-Q136 HydrophobicContact CG2-CG 4.28Å
137R98.3Very high96.5Very high2 Ų266.6 Ų66.61%0.00837%0.366CS..EExtended strand (participates in β ladder)trans-92122.4173.9-174.6-177.862.9-134.20.3108.9P15 S16 F18 N20 P21 V113 I139P15-R137 WeakPolarHBondContact CA-O 3.14Å; S16-R137 PolarHBondContact N-O 3.46Å; S16-R137 PolarHBondContact O-N 2.94Å; S16-R137 PolarHBondContact OG-NH2 3.35Å; F18-R137 PolarHBondContact O-NH1 3.27Å; N20-R137 PolarHBondContact O-NH1 3.08Å; N20-R137 PolarHBondContact O-NH2 3.3Å; P21-R137 PolarHBondContact O-NH2 3.14Å; V113-R137 HydrophobicContact CG1-CG 3.27Å; R137-I139 HydrophobicContact CG-CG1 4.4Å
138N98.3Very high96.6Very high46 Ų4670.6 Ų70.625%0.24637%0.374CS..EExtended strand (participates in β ladder)trans-118.2107.3172.4-178.516000110.1P15 N114P15-N138 HydrophobicContact CB-CB 4.07Å; N114-N138 PolarHBondContact N-O 2.84Å; N114-N138 PolarHBondContact O-N 2.91Å
139I98.4Very high96.8Very high5 Ų567.6 Ų67.63%0.02635%0.349CS..EExtended strand (participates in β ladder)trans-80.6123.4174.8-54.8174.9000108.1V11 N14 F22 F24 Y111 V113 R137 A141V11-I139 HydrophobicContact CG1-CB 4.01Å; V11-I139 HydrophobicContact CG1-CD1 3.66Å; V11-I139 HydrophobicContact CG1-CG1 4.38Å; V11-I139 HydrophobicContact CG1-CG2 4.07Å; V11-I139 HydrophobicContact CG2-CG2 4.11Å; N14-I139 PolarHBondContact ND2-O 2.71Å; N14-I139 PolarHBondContact OD1-N 3.14Å; F22-I139 HydrophobicContact CD1-CD1 3.66Å; F22-I139 HydrophobicContact CE1-CD1 3.74Å; F22-I139 HydrophobicContact CE1-CG1 4.39Å; F24-I139 HydrophobicContact CZ-CD1 4.39Å; Y111-I139 HydrophobicContact CD1-CG2 4.14Å; Y111-I139 HydrophobicContact CG-CG2 3.88Å; V113-I139 HydrophobicContact CG1-CG1 4.48Å; V113-I139 HydrophobicContact CG2-CG1 4.22Å; R137-I139 HydrophobicContact CG-CG1 4.4Å; I139-A141 PolarHBondContact O-N 2.83Å
140L97.1Very high96.8Very high72 Ų7269.2 Ų69.238%0.37736%0.359SS..  trans-75.871.7178.2-65.7176.9000110.8Y112 S142 N143Y112-L140 PolarHBondContact O-N 3.44Å; L140-S142 PolarHBondContact O-N 2.97Å; L140-S142 VanDerWaalsContact O-N 3.15Å; L140-N143 PolarHBondContact O-N 2.82Å
141A96.1Very high96.8Very high44 Ų4469.7 Ų69.736%0.36436%0.36SS..THydrogen-bonded Turntrans-63-20.4-172.200000114.6V11 I139 N143V11-A141 HydrophobicContact CB-CB 3.9Å; V11-A141 HydrophobicContact CG2-CB 3.62Å; I139-A141 PolarHBondContact O-N 2.83Å; A141-N143 VanDerWaalsContact C-N 3.31Å; A141-N143 PolarHBondContact O-N 3Å
142S94.7Very high96.6Very high97 Ų9769.4 Ų69.468%0.67836%0.359SS*.THydrogen-bonded Turntrans-73.3-19.2-178.256.20000114.3L140 P144L140-S142 PolarHBondContact O-N 2.97Å; L140-S142 VanDerWaalsContact O-N 3.15Å; S142-P144 VanDerWaalsContact C-CD 3.49Å
143N93.2Very high96.4Very high108 Ų10869.5 Ų69.558%0.57836%0.359SS*.SBendtrans-132.661.3-171-67.987.3000112.1L140 A141L140-N143 PolarHBondContact O-N 2.82Å; A141-N143 VanDerWaalsContact C-N 3.31Å; A141-N143 PolarHBondContact O-N 3Å
144P96.5Very high96Very high55 Ų5571 Ų7136%0.35736%0.357SS..  trans-62141.5173.926.2-32.7000111.2V109 Y111 S142 V146V109-P144 HydrophobicContact CG1-CB 4.09Å; Y111-P144 HydrophobicContact CD1-CB 4.25Å; Y111-P144 HydrophobicContact CE1-CB 3.61Å; Y111-P144 HydrophobicContact CE1-CG 4.26Å; S142-P144 VanDerWaalsContact C-CD 3.49Å; P144-V146 HydrophobicContact CB-CG2 4.45Å
145R97.2Very high94.9Very high163 Ų16370.5 Ų70.562%0.61536%0.358SS*.EExtended strand (participates in β ladder)trans-99.1108.9168.7-63.9-61.1-173.4173.2-0.3108.6V109 G110V109-R145 CarbonylContact C-O 3.55Å; V109-R145 WeakPolarHBondContact CA-O 3.36Å; G110-R145 PolarHBondContact N-O 2.76Å; G110-R145 PolarHBondContact O-N 2.81Å
146V97.3Very high93.4Very high74 Ų7475 Ų7545%0.44838%0.383SS..EExtended strand (participates in β ladder)trans-103.5116.4-179.8-175.40000109.6I107 R108 V109 P144 R148I107-V146 HydrophobicContact CD1-CG1 3.95Å; I107-V146 HydrophobicContact CG1-CG1 4.13Å; R108-V146 WeakPolarHBondContact O-CA 3.14Å; V109-V146 HydrophobicContact CG1-CG2 4.36Å; V109-V146 HydrophobicContact CG2-CG2 4.36Å; P144-V146 HydrophobicContact CB-CG2 4.45Å; V146-R148 HydrophobicContact CG1-CG 4.33Å
147T97.3Very high91.5Very high68 Ų6877 Ų7742%0.41740%0.399SS..EExtended strand (participates in β ladder)trans-110134.9172.2-57.80000108.8I107 R108 F149I107-T147 WeakPolarHBondContact CA-O 3.21Å; R108-T147 PolarHBondContact N-O 2.88Å; R108-T147 PolarHBondContact O-N 2.78Å; T147-F149 HydrophobicContact CG2-CE1 3.87Å; T147-F149 HydrophobicContact CG2-CE2 3.94Å; T147-F149 HydrophobicContact CG2-CZ 3.51Å
148R96.9Very high89.3Confident135 Ų13584.5 Ų84.551%0.50943%0.434SS..EExtended strand (participates in β ladder)trans-120.1138.8-179.9-63.3176.5-178.6-117.1-1.1109.4F106 I107 V146F106-R148 WeakPolarHBondContact O-CA 3.17Å; I107-R148 HydrophobicContact CD1-CG 4.42Å; I107-R148 HydrophobicContact CG1-CG 4.29Å; V146-R148 HydrophobicContact CG1-CG 4.33Å
149F96.7Very high87.1Confident86 Ų8690.4 Ų90.438%0.37746%0.458SS..  trans-118.6145.4177.9-50.9-85.2000109.7E105 F106 R108 T147E105-F149 HydrophobicContact CG-CD2 4.2Å; E105-F149 HydrophobicContact CG-CE2 4.25Å; E105-F149 WeakPolarHBondContact O-CB 3.31Å; E105-F149 VanDerWaalsContact OE1-CE2 3.24Å; E105-F149 WeakPolarHBondContact OE1-CE2 3.4Å; F106-F149 PolarHBondContact O-N 3.2Å; R108-F149 HydrophobicContact CB-CE2 4.2Å; T147-F149 HydrophobicContact CG2-CE1 3.87Å; T147-F149 HydrophobicContact CG2-CE2 3.94Å; T147-F149 HydrophobicContact CG2-CZ 3.51Å
150H95.4Very high84.9Confident193 Ų19396.8 Ų96.889%0.89449%0.491SS*.  trans-84.7125.8172.2-71-61.8000109.3
151I95.7Very high82.8Confident23 Ų23100.8 Ų100.812%0.11851%0.508CS..  trans-123.2163.1179.268.1160.9000110.9Y101 Q104 E105 F106 W153Y101-I151 HydrophobicContact CD1-CD1 4.18Å; Q104-I151 HydrophobicContact CB-CB 3.82Å; Q104-I151 HydrophobicContact CB-CD1 4.32Å; Q104-I151 HydrophobicContact CB-CG2 3.6Å; E105-I151 VanDerWaalsContact O-CG2 3.27Å; E105-I151 WeakPolarHBondContact O-CG2 3.39Å; F106-I151 HydrophobicContact CB-CB 4.46Å; F106-I151 HydrophobicContact CB-CD1 3.78Å; F106-I151 HydrophobicContact CB-CG1 3.86Å; F106-I151 HydrophobicContact CB-CG2 3.75Å; F106-I151 HydrophobicContact CD1-CD1 4.05Å; F106-I151 HydrophobicContact CG-CD1 4.22Å; I151-W153 HydrophobicContact CD1-CD2 4.05Å; I151-W153 HydrophobicContact CD1-CE3 4.27Å; I151-W153 HydrophobicContact CD1-CH2 4.13Å; I151-W153 HydrophobicContact CD1-CZ2 3.89Å; I151-W153 HydrophobicContact CD1-CZ3 4.32Å; I151-W153 HydrophobicContact CG1-CD2 4.07Å; I151-W153 HydrophobicContact CG1-CG 4.33Å; I151-W153 HydrophobicContact CG1-CZ2 3.85Å; I151-W153 VanDerWaalsContact O-CD1 3.24Å
152N93.5Very high80.8Confident59 Ų59105 Ų10532%0.31652%0.524SS..  trans-80.5121166.3-175.220.9000110.3Q104 E154 N156Q104-N152 PolarHBondContact NE2-O 2.9Å; N152-E154 PolarHBondContact ND2-O 3.31Å; N152-E154 PolarHBondContact OD1-N 2.61Å; N152-E154 VanDerWaalsContact OD1-N 3.15Å; N152-N156 PolarHBondContact ND2-ND2 2.68Å; N152-N156 VanDerWaalsContact ND2-ND2 3.14Å; N152-N156 PolarHBondContact ND2-OD1 3.43Å
153W93Very high78.9Confident18 Ų18104 Ų1047%0.06852%0.521CS..  trans-97.3-13.6-179.6-63.886000113.7A2 K3 V4 L34 Y101 F106 I151A2-W153 HydrophobicContact CB-CZ2 3.76Å; K3-W153 HydrophobicContact CB-CD2 3.92Å; K3-W153 HydrophobicContact CB-CE3 3.57Å; K3-W153 HydrophobicContact CB-CH2 4.47Å; K3-W153 HydrophobicContact CB-CZ3 3.87Å; K3-W153 HydrophobicContact CD-CB 3.68Å; K3-W153 HydrophobicContact CD-CD2 4.18Å; K3-W153 HydrophobicContact CD-CE3 4Å; K3-W153 HydrophobicContact CD-CG 4.09Å; K3-W153 VanDerWaalsContact CE-CB 3.43Å; K3-W153 HydrophobicContact CG-CB 4.02Å; K3-W153 HydrophobicContact CG-CD2 3.8Å; K3-W153 HydrophobicContact CG-CE3 3.83Å; K3-W153 HydrophobicContact CG-CG 3.9Å; V4-W153 HydrophobicContact CB-CH2 3.87Å; V4-W153 HydrophobicContact CB-CZ3 4.21Å; V4-W153 HydrophobicContact CG2-CH2 4.02Å; V4-W153 HydrophobicContact CG2-CZ3 3.83Å; L34-W153 HydrophobicContact CD2-CE3 4.34Å; L34-W153 HydrophobicContact CD2-CZ3 4.47Å; Y101-W153 HydrophobicContact CD1-CD2 4.36Å; Y101-W153 AromaticContact CD1-CE3 3.53Å; Y101-W153 HydrophobicContact CD1-CE3 3.53Å; Y101-W153 AromaticContact CD1-CZ3 3.9Å; Y101-W153 HydrophobicContact CD1-CZ3 3.9Å; Y101-W153 AromaticContact CE1-CE3 3.89Å; Y101-W153 HydrophobicContact CE1-CE3 3.89Å; Y101-W153 HydrophobicContact CG-CE3 4.22Å; Y101-W153 HydrophobicContact CG-CZ3 4.12Å; F106-W153 HydrophobicContact CB-CZ2 4.2Å; F106-W153 HydrophobicContact CD1-CH2 4.02Å; F106-W153 AromaticContact CD2-CH2 3.86Å; F106-W153 HydrophobicContact CD2-CH2 3.86Å; F106-W153 HydrophobicContact CD2-CZ2 4.06Å; F106-W153 HydrophobicContact CE1-CH2 4.17Å; F106-W153 HydrophobicContact CE2-CH2 4.01Å; F106-W153 AromaticContact CG-CH2 3.86Å; F106-W153 HydrophobicContact CG-CH2 3.86Å; F106-W153 HydrophobicContact CG-CZ2 4.02Å; F106-W153 HydrophobicContact CZ-CH2 4.16Å; I151-W153 HydrophobicContact CD1-CD2 4.05Å; I151-W153 HydrophobicContact CD1-CE3 4.27Å; I151-W153 HydrophobicContact CD1-CH2 4.13Å; I151-W153 HydrophobicContact CD1-CZ2 3.89Å; I151-W153 HydrophobicContact CD1-CZ3 4.32Å; I151-W153 HydrophobicContact CG1-CD2 4.07Å; I151-W153 HydrophobicContact CG1-CG 4.33Å; I151-W153 HydrophobicContact CG1-CZ2 3.85Å; I151-W153 VanDerWaalsContact O-CD1 3.24Å
154E86.7Confident76.9Confident104 Ų104107.7 Ų107.749%0.48654%0.535SS..SBendtrans-94.6154-176.4-55.1-49.7146.300111.9K3 R102 N152 N156K3-E154 WeakPolarHBondContact CE-OE1 3.11Å; K3-E154 IonicContact NZ-OE1 2.92Å; K3-E154 PolarHBondContact NZ-OE1 3.41Å; K3-E154 IonicContact NZ-OE2 3.69Å; K3-E154 PolarHBondContact NZ-OE2 3.01Å; K3-E154 VanDerWaalsContact NZ-OE2 3.07Å; R102-E154 PolarHBondContact NH1-O 2.85Å; N152-E154 PolarHBondContact ND2-O 3.31Å; N152-E154 PolarHBondContact OD1-N 2.61Å; N152-E154 VanDerWaalsContact OD1-N 3.15Å; E154-N156 PolarHBondContact O-N 2.82Å
155D75Confident74.6Confident66 Ų66109.6 Ų109.635%0.35355%0.55SS..  trans-75.7111.8166.1-141.7-45.9000110.8R102 T157R102-D155 IonicContact CZ-OD2 2.77Å; R102-D155 IonicContact NH1-OD1 2.62Å; R102-D155 IonicContact NH1-OD2 2.76Å; R102-D155 PolarHBondContact NH1-OD2 3Å; R102-D155 IonicContact NH2-OD2 2.79Å; R102-D155 PolarHBondContact NH2-OD2 3.1Å; D155-T157 PolarHBondContact O-N 3.2Å; D155-T157 WeakPolarHBondContact OD1-CB 3.48Å; D155-T157 PolarHBondContact OD1-N 3.16Å; D155-T157 VanDerWaalsContact OD1-N 3.11Å; D155-T157 PolarHBondContact OD1-OG1 2.93Å
156N65.8Low72Confident100 Ų100106.2 Ų106.254%0.53555%0.551SS.*G310 helixtrans-72.7-3.4174.1-76.8-21.9000112.3N152 E154 E158N152-N156 PolarHBondContact ND2-ND2 2.68Å; N152-N156 VanDerWaalsContact ND2-ND2 3.14Å; N152-N156 PolarHBondContact ND2-OD1 3.43Å; E154-N156 PolarHBondContact O-N 2.82Å; N156-E158 VanDerWaalsContact C-N 3.29Å; N156-E158 PolarHBondContact O-N 3.44Å
157T58.7Low69.5Low98 Ų98109.8 Ų109.860%0.60157%0.568SS**G310 helixtrans-69.1-26-178.3-46.60000112.4D155 K159D155-T157 PolarHBondContact O-N 3.2Å; D155-T157 WeakPolarHBondContact OD1-CB 3.48Å; D155-T157 PolarHBondContact OD1-N 3.16Å; D155-T157 VanDerWaalsContact OD1-N 3.11Å; D155-T157 PolarHBondContact OD1-OG1 2.93Å; T157-K159 VanDerWaalsContact C-N 3.35Å; T157-K159 PolarHBondContact O-N 3.26Å
158E52.1Low66.9Low160 Ų160112.6 Ų112.675%0.74859%0.587SS**G310 helixtrans-76.1-15.7-178.3-65.2-169169.100114.5N156 L160N156-E158 VanDerWaalsContact C-N 3.29Å; N156-E158 PolarHBondContact O-N 3.44Å; E158-L160 PolarHBondContact O-N 3.03Å
159K51.2Low64.6Low171 Ų171112.9 Ų112.974%0.74360%0.599SS**G310 helixtrans-84.6-5-176.4-71.7-172.7-179.9175.70115.1T157T157-K159 VanDerWaalsContact C-N 3.35Å; T157-K159 PolarHBondContact O-N 3.26Å
160L53.8Low62.2Low138 Ų138116.8 Ų116.872%0.72362%0.623SS**THydrogen-bonded Turntrans-93.9-19.2-178.8-76.1164.4000113.5E158E158-L160 PolarHBondContact O-N 3.03Å
161E52.7Low59.8Low157 Ų157117 Ų11773%0.73462%0.624SS**THydrogen-bonded Turntrans-87.8-22-176.3-62.8-169.9163.600113.8
162D53.7Low57.4Low132 Ų132121.3 Ų121.371%0.70666%0.656SS**THydrogen-bonded Turntrans-85.2-6.3178.9-78.3-23000114.5
163A53.9Low55.1Low75 Ų75126.4 Ų126.462%0.6268%0.683SS**THydrogen-bonded Turntrans-88.4-17.2179.700000114
164E50.9Low52.8Low186 Ų186133.7 Ų133.787%0.86972%0.722SS**SBendtrans-97.2-3.9-176.4-72-165.1150.100114.9
165S50.1Low50.7Low95 Ų95134.1 Ų134.166%0.66474%0.736SS**SBendtrans-10611.1-172.845.20000115.3
166S41.8Very low49.3Very low93 Ų93137.3 Ų137.365%0.6576%0.758SS**  trans-11465.6179.253.10000113.8
167N44Very low48.2Very low148 Ų148139.8 Ų139.879%0.79177%0.772SS**  trans-149.793.2160.9-129.1-14.3000112.8N169N167-N169 VanDerWaalsContact C-N 3.28Å; N167-N169 PolarHBondContact O-N 3.19Å
168P43.5Very low47.3Very low127 Ų127139.3 Ų139.383%0.82578%0.778SS**  trans-81.69.7178.9-9.726.9000115.1
169N48Very low47.2Very low142 Ų142139.7 Ų139.776%0.75978%0.784SS**  trans-110.826.9-156.8-124.110.9000117.5N167N167-N169 VanDerWaalsContact C-N 3.28Å; N167-N169 PolarHBondContact O-N 3.19Å
170L47.6Very low46.8Very low168 Ų168136.9 Ų136.988%0.8878%0.783SS**  trans-120.124.6-179.6-130.5103.7000116.5
171Q44.3Very low46.3Very low197 Ų197135.7 Ų135.792%0.92179%0.787SS**  trans-110.212.9-177.1-72.6-173.22.500116.6
172S45.1Very low45.8Very low113 Ų113132 Ų13279%0.7978%0.783SS**SBendtrans-106.29.2-174.772.70000117.9
173L46.2Very low45.4Very low166 Ų166130.7 Ų130.787%0.86978%0.784SS**  trans-110.316.6-168.5-97.8153.9000117.1
174L42.9Very low44.8Very low172 Ų172137 Ų13790%0.90180%0.798SS**  trans-117.173.7178.2-69.6168.9000111.6
175S43.3Very low44Very low112 Ų112131.3 Ų131.378%0.78379%0.788SS**  trans-173.4100.5161.2-76.20000109.9
176T46.4Very low43.5Very low133 Ų133139.7 Ų139.782%0.81681%0.806SS**  trans171.1111.913929.60000111.2
177D41.3Very low43.3Very low153 Ų153140.2 Ų140.282%0.81881%0.809SS**  trans59.1120.9134.3-61.4-28.9000123.8
178A40.2Very low43.3Very low87 Ų87139.8 Ų139.872%0.71981%0.812SS**  83.198.512700000121.1
179L50.5Low43.3Very low168 Ų168138.9 Ų138.988%0.8881%0.808SS**  64.4154.9117.2-81.9154.4000120.4
180P42.9Very low42.8Very low113 Ų113141.1 Ų141.173%0.73481%0.814SS**  -127.3-178.3-119.841.4-24.6000114.3
181S42.9Very low42.7Very low113 Ų113141.3 Ų141.379%0.7982%0.816SS**  trans141.1130.1137.6-1790000115.7
182A41.7Very low42.5Very low80 Ų80136.9 Ų136.966%0.66181%0.807SS**  trans76.5109144.800000123.3
183S45.5Very low42.5Very low103 Ų103139.9 Ų139.972%0.7281%0.813SS**  86.6131.9118.576.30000122.3
184K42.8Very low42.2Very low209 Ų209139.2 Ų139.291%0.90981%0.811SS**  trans61.5122.8155.3-65171.7177.5177.90115.6
185G33.7Very low42.4Very low65 Ų65137.5 Ų137.567%0.6781%0.807SS**  cis118.4108.331.400000107.7
186W39Very low42.3Very low272 Ų272140.2 Ų140.2100%1.0381%0.809SS**  trans-163.6142158.4-92.2-21.6000111.9
187S37.9Very low42.3Very low103 Ų103141.8 Ų141.872%0.7281%0.812SS**  trans-112.4148-178.353.10000110.1
188T43Very low42.2Very low140 Ų140143.3 Ų143.386%0.85981%0.814SS**  trans-171.3134.3145.435.30000113.9
189S43.5Very low43Very low107 Ų107144.6 Ų144.675%0.74882%0.818SS**  trans55116.3153.570.10000120.1
190E39.1Very low42.9Very low189 Ų189144.5 Ų144.588%0.88381%0.813SS**  61.6110.963.3-70.7-166.4141.800115.7
191N44.6Very low43.8Very low172 Ų172148.2 Ų148.292%0.9282%0.822SS**  trans-158.2127.4137.7-119.7-6000111.5
192S40.8Very low44.1Very low104 Ų104149.3 Ų149.373%0.72782%0.819SS**  trans-98.6155.4-176520000112.4
193L45.4Very low44.6Very low176 Ų176151.1 Ų151.192%0.92183%0.826SS**  trans-158.5121.8144-98173.4000111.1
194N38.4Very low45.3Very low152 Ų152158.5 Ų158.581%0.81385%0.852SS**  trans-106.2145174.9-112.7-6.8000108.6
195V47.8Very low45.4Very low137 Ų137156 Ų15683%0.8385%0.849SS**  trans-145.7117153.2-179.80000109.7
196M40.1Very low46Very low168 Ų168160.7 Ų160.783%0.82886%0.859SS**  trans-97151.4159.7-79.5-163.5-125.200108.9
197L47.3Very low46.4Very low167 Ų167154.6 Ų154.687%0.87485%0.849SS**  trans-154.5115.6147.8-132.8110.2000110.8
198E39.5Very low46.9Very low184 Ų184157.6 Ų157.686%0.8686%0.857SS**  trans-84.3147.5160.9-73.9174.913800109.5
199S57Low47.1Very low114 Ų114158.7 Ų158.780%0.79786%0.857SS**  trans-149.6117.7153.563.10000110.8
200H48.5Very low47.4Very low166 Ų166162.1 Ų162.177%0.76986%0.864SS**  trans-72.6144.2168.2-138.6-83.1000110.4D202H200-D202 IonicContact ND1-OD2 2.77Å
201M61.3Low48Very low191 Ų191160.2 Ų160.294%0.94186%0.863SS**  trans-159.7111.3156.3-123.6154.7157.200111.4
202D49.9Very low48.2Very low136 Ų136159.3 Ų159.373%0.72786%0.858SS**  trans-67.3150163.5-64.4-69.7000110.9H200H200-D202 IonicContact ND1-OD2 2.77Å
203C51.2Low48.8Very low119 Ų119163.9 Ų163.980%0.80487%0.869SS**  166.9134.5117.9-157.80000111.7
204M59.7Low49.2Very low257 Ų257162.8 Ų162.8100%1.26686%0.864SS**  trans880175.7-61.8-166.1-178.700117.9

Retrieved 204 of 204 residues in 55.4 ms (Link to these results)

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